A0A087XCE5_POEFO Loading...

Synaptotagmin IV

AlphaFold DB , UniProt , Accession A0A087XCE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 447 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
1V37Very low41.5Very low191 Ų191147 Ų147100%1.15884%0.839SS**  0132.70165.80000107.9
2T34.3Very low41.6Very low125 Ų125145.8 Ų145.877%0.76784%0.836SS**  trans68.298.1167.6-43.40000120.4
3V41.3Very low42.2Very low121 Ų121141.8 Ų141.873%0.73383%0.831SS**  20.1126.3122.8-174.30000119.8
4V37Very low42.9Very low139 Ų139140.3 Ų140.384%0.84282%0.824SS**  trans-147.3141.6131.6178.40000109.2
5T39.6Very low43.2Very low119 Ų119137.2 Ų137.273%0.7381%0.81SS**  trans-127.8-174.9171.758.50000110
6P62.3Low43.8Very low120 Ų120136.4 Ų136.478%0.77981%0.806SS**  -117.8-173.9-93.838.5-22000113.2
7R33.7Very low44.4Very low243 Ų243131.2 Ų131.292%0.91779%0.788SS**  trans-152.7143152.5-108.4176.2-165.8-175.84.3112.2
8P47.2Very low44.8Very low122 Ų122129.5 Ų129.579%0.79278%0.778SS**  trans-96161.6-176.437.8-35000113.3
9V42.1Very low45.1Very low138 Ų138126.2 Ų126.284%0.83677%0.766SS**  trans-112.7127.5165.4-177.10000108.4
10A39.1Very low45.4Very low93 Ų93123.8 Ų123.877%0.76975%0.751SS**PPolyproline II helixtrans-84.3131.1-177.400000111.8
11F42.6Very low45.8Very low206 Ų206123.2 Ų123.290%0.90475%0.748SS**PPolyproline II helixtrans-94.3125.1163.1-92.6-90.5000109.7A13F11-A13 PolarHBondContact O-N 3.31Å
12V43.6Very low46.6Very low133 Ų133118 Ų11881%0.80672%0.72SS**PPolyproline II helixtrans-78.9117.1175.1177.10000109.1
13A49.1Very low47.7Very low93 Ų93116.5 Ų116.577%0.76971%0.711SS**PPolyproline II helixtrans-77.4120.8172.200000110.4F11F11-A13 PolarHBondContact O-N 3.31Å
14V51.5Low48.4Very low121 Ų121117.6 Ų117.673%0.73371%0.706SS**PPolyproline II helixtrans-76.4126.4173179.70000109
15P47.3Very low49.4Very low94 Ų94112.8 Ų112.861%0.6168%0.684SS**PPolyproline II helixtrans-73.4134.6-17728.3-33.8000112.2G17 V18P15-G17 PolarHBondContact O-N 2.95Å; P15-V18 PolarHBondContact O-N 3.03Å
16V53.5Low50.3Low124 Ų124112.8 Ų112.875%0.75268%0.679SS**THydrogen-bonded Turntrans-57.4-17.2-175.3177.30000114.1V18 A19V16-V18 VanDerWaalsContact C-N 3.32Å; V16-V18 PolarHBondContact O-N 3.24Å; V16-A19 PolarHBondContact O-N 3.38Å
17G52.8Low50.3Low49 Ų49111.1 Ų111.151%0.50567%0.667SS.*Hα-helixtrans-61.6-29.5179.700000115.4P15 A19 V20P15-G17 PolarHBondContact O-N 2.95Å; G17-A19 PolarHBondContact O-N 3.26Å; G17-V20 PolarHBondContact O-N 3.47Å
18V51.7Low51.5Low100 Ų100107.5 Ų107.561%0.60666%0.658SS**Hα-helixtrans-71.1-32.9-175.4-1740000112.1P15 V16P15-V18 PolarHBondContact O-N 3.03Å; V16-V18 VanDerWaalsContact C-N 3.32Å; V16-V18 PolarHBondContact O-N 3.24Å
19A50.4Low52.4Low66 Ų66105.7 Ų105.755%0.54565%0.645SS.*Hα-helixtrans-68.3-37.5179.300000112.4V16 G17 S22 V23V16-A19 PolarHBondContact O-N 3.38Å; G17-A19 PolarHBondContact O-N 3.26Å; A19-S22 PolarHBondContact O-N 3.35Å; A19-V23 PolarHBondContact O-N 3.46Å
20V52.3Low53.6Low78 Ų78102 Ų10247%0.47363%0.628SS.*Hα-helixtrans-69-43.1-176.7-177.70000111.4G17 S22 V23 F24G17-V20 PolarHBondContact O-N 3.47Å; V20-S22 VanDerWaalsContact C-N 3.29Å; V20-S22 PolarHBondContact O-N 2.93Å; V20-V23 PolarHBondContact O-N 3.23Å; V20-F24 HydrophobicContact CG1-CD2 3.89Å; V20-F24 HydrophobicContact CG1-CE2 3.92Å; V20-F24 WeakPolarHBondContact O-CD2 3.36Å; V20-F24 PolarHBondContact O-N 2.79Å
21V53.1Low55Low113 Ų113101 Ų10169%0.68562%0.616SS**Hα-helixtrans-63.1-36.7179.6179.80000111.8G25V21-G25 PolarHBondContact O-N 3.36Å; V21-G25 VanDerWaalsContact O-N 3.14Å
22S55.1Low56.2Low80 Ų8093.5 Ų93.556%0.55959%0.592SS**Hα-helixtrans-63.6-45.3178.9-170.50000112.7A19 V20 G25 L26A19-S22 PolarHBondContact O-N 3.35Å; V20-S22 VanDerWaalsContact C-N 3.29Å; V20-S22 PolarHBondContact O-N 2.93Å; S22-G25 PolarHBondContact O-N 3.22Å; S22-L26 PolarHBondContact O-N 2.9Å
23V56.9Low57.3Low95 Ų9594.2 Ų94.258%0.57658%0.584SS**Hα-helixtrans-67.8-42.5-178.2177.80000111.8A19 V20 L26 V27A19-V23 PolarHBondContact O-N 3.46Å; V20-V23 PolarHBondContact O-N 3.23Å; V23-L26 PolarHBondContact O-N 3.1Å; V23-V27 WeakPolarHBondContact O-CG2 3.42Å; V23-V27 PolarHBondContact O-N 3.16Å
24F56.3Low58.1Low143 Ų14392.3 Ų92.363%0.62757%0.569SS**Hα-helixtrans-67.7-36.1178.3-82.1-77.6000112.9V20 L26 V27 F28V20-F24 HydrophobicContact CG1-CD2 3.89Å; V20-F24 HydrophobicContact CG1-CE2 3.92Å; V20-F24 WeakPolarHBondContact O-CD2 3.36Å; V20-F24 PolarHBondContact O-N 2.79Å; F24-L26 PolarHBondContact O-N 2.79Å; F24-V27 PolarHBondContact O-N 3.4Å; F24-F28 PolarHBondContact O-N 3Å
25G57.2Low58.8Low38 Ų3895.6 Ų95.639%0.39257%0.568SS.*Hα-helixtrans-63.5-37.7174.700000113.6V21 S22 T29V21-G25 PolarHBondContact O-N 3.36Å; V21-G25 VanDerWaalsContact O-N 3.14Å; S22-G25 PolarHBondContact O-N 3.22Å; G25-T29 WeakPolarHBondContact O-CG2 3.44Å; G25-T29 PolarHBondContact O-N 2.63Å; G25-T29 VanDerWaalsContact O-N 3.1Å; G25-T29 PolarHBondContact O-OG1 3.25Å
26L57.9Low59.8Low119 Ų11995.9 Ų95.962%0.62356%0.564SS**Hα-helixtrans-70-38.5179.7-128.4164.4000112.4S22 V23 F24 T29 A30S22-L26 PolarHBondContact O-N 2.9Å; V23-L26 PolarHBondContact O-N 3.1Å; F24-L26 PolarHBondContact O-N 2.79Å; L26-T29 PolarHBondContact O-OG1 3.23Å; L26-T29 VanDerWaalsContact O-OG1 3.13Å; L26-A30 WeakPolarHBondContact O-CB 3.43Å; L26-A30 PolarHBondContact O-N 3.31Å; L26-A30 VanDerWaalsContact O-N 3.15Å
27V62.3Low60.1Low86 Ų8693.4 Ų93.452%0.52155%0.551SS.*Hα-helixtrans-68.5-39.6176.5175.70000111.8V23 F24 S31V23-V27 WeakPolarHBondContact O-CG2 3.42Å; V23-V27 PolarHBondContact O-N 3.16Å; F24-V27 PolarHBondContact O-N 3.4Å; V27-S31 WeakPolarHBondContact O-CB 3.33Å; V27-S31 PolarHBondContact O-N 3Å; V27-S31 PolarHBondContact O-OG 3.15Å
28F59.6Low60Low166 Ų16695.5 Ų95.573%0.72856%0.557SS**Hα-helixtrans-68-42178.3-117.7-89.5000112.6F24 S31 A32F24-F28 PolarHBondContact O-N 3Å; F28-S31 PolarHBondContact O-N 2.95Å; F28-A32 PolarHBondContact O-N 3.35Å
29T66.1Low60Low85 Ų8596.9 Ų96.952%0.52156%0.557SS.*Hα-helixtrans-68.5-41.4179.847.30000112.7G25 L26 S31 A32 F33G25-T29 WeakPolarHBondContact O-CG2 3.44Å; G25-T29 PolarHBondContact O-N 2.63Å; G25-T29 VanDerWaalsContact O-N 3.1Å; G25-T29 PolarHBondContact O-OG1 3.25Å; L26-T29 PolarHBondContact O-OG1 3.23Å; L26-T29 VanDerWaalsContact O-OG1 3.13Å; T29-S31 VanDerWaalsContact C-N 3.34Å; T29-S31 PolarHBondContact O-N 3.47Å; T29-A32 PolarHBondContact O-N 3.29Å; T29-F33 PolarHBondContact O-N 2.93Å
30A67.9Low59.6Low59 Ų59103.5 Ų103.549%0.48857%0.567SS.*Hα-helixtrans-61.7-41174.100000112.4L26 F33 A34L26-A30 WeakPolarHBondContact O-CB 3.43Å; L26-A30 PolarHBondContact O-N 3.31Å; L26-A30 VanDerWaalsContact O-N 3.15Å; A30-F33 PolarHBondContact O-N 3.1Å; A30-A34 WeakPolarHBondContact O-CB 3.45Å; A30-A34 PolarHBondContact O-N 3.13Å
31S68.3Low59Low72 Ų72108.5 Ų108.550%0.50358%0.583SS.*Hα-helixtrans-66.4-41.3178.7-57.70000112.4V27 F28 T29 A34 W35V27-S31 WeakPolarHBondContact O-CB 3.33Å; V27-S31 PolarHBondContact O-N 3Å; V27-S31 PolarHBondContact O-OG 3.15Å; F28-S31 PolarHBondContact O-N 2.95Å; T29-S31 VanDerWaalsContact C-N 3.34Å; T29-S31 PolarHBondContact O-N 3.47Å; S31-A34 PolarHBondContact O-N 3.26Å; S31-W35 PolarHBondContact O-N 3.47Å; S31-W35 VanDerWaalsContact O-N 3.1Å
32A67.6Low58.4Low49 Ų49109.9 Ų109.941%0.40559%0.586SS.*Hα-helixtrans-65.3-42.217500000112.2F28 T29 A34 W35 I36F28-A32 PolarHBondContact O-N 3.35Å; T29-A32 PolarHBondContact O-N 3.29Å; A32-A34 PolarHBondContact O-N 2.89Å; A32-W35 PolarHBondContact O-N 3.29Å; A32-I36 WeakPolarHBondContact O-CG1 3.19Å; A32-I36 PolarHBondContact O-N 3.01Å
33F67.4Low57.8Low148 Ų148111.2 Ų111.265%0.64959%0.591SS**Hα-helixtrans-63.9-39.7176.2-112-91.5000112.5T29 A30 I36 C37T29-F33 PolarHBondContact O-N 2.93Å; A30-F33 PolarHBondContact O-N 3.1Å; F33-I36 PolarHBondContact O-N 2.83Å; F33-C37 WeakPolarHBondContact O-CB 3.18Å; F33-C37 PolarHBondContact O-N 2.9Å; F33-C37 PolarHBondContact O-SG 2.86Å
34A65.6Low57.2Low54 Ų54113.5 Ų113.545%0.44660%0.6SS.*Hα-helixtrans-62.2-43.217500000111.9A30 S31 A32 C37 C38A30-A34 WeakPolarHBondContact O-CB 3.45Å; A30-A34 PolarHBondContact O-N 3.13Å; S31-A34 PolarHBondContact O-N 3.26Å; A32-A34 PolarHBondContact O-N 2.89Å; A34-C37 PolarHBondContact O-N 3.07Å; A34-C38 WeakPolarHBondContact O-CB 3.44Å; A34-C38 PolarHBondContact O-N 2.85Å; A34-C38 PolarHBondContact O-SG 2.1Å
35W66.4Low56.2Low190 Ų190115.4 Ų115.472%0.7261%0.608SS**Hα-helixtrans-60.9-48.8175.6-171-60.6000111.9S31 A32 C37 C38 Q39S31-W35 PolarHBondContact O-N 3.47Å; S31-W35 VanDerWaalsContact O-N 3.1Å; A32-W35 PolarHBondContact O-N 3.29Å; W35-C37 PolarHBondContact O-N 3.23Å; W35-C38 PolarHBondContact O-N 3.48Å; W35-Q39 PolarHBondContact O-N 2.87Å
36I68.1Low55.6Low100 Ų100119 Ų11951%0.51363%0.627SS.*Hα-helixtrans-64.6-41-179-67.8166.6000111.1A32 F33 C38 Q39 R40A32-I36 WeakPolarHBondContact O-CG1 3.19Å; A32-I36 PolarHBondContact O-N 3.01Å; F33-I36 PolarHBondContact O-N 2.83Å; I36-C38 VanDerWaalsContact C-N 3.35Å; I36-C38 PolarHBondContact O-N 3.48Å; I36-Q39 PolarHBondContact O-N 3.41Å; I36-R40 WeakPolarHBondContact O-CB 2.94Å; I36-R40 PolarHBondContact O-N 2.99Å
37C58.3Low54.5Low72 Ų72121.1 Ų121.149%0.48663%0.634SS.*Hα-helixtrans-65.6-36.6175.1-68.60000112.3F33 A34 W35 R40 K41F33-C37 WeakPolarHBondContact O-CB 3.18Å; F33-C37 PolarHBondContact O-N 2.9Å; F33-C37 PolarHBondContact O-SG 2.86Å; A34-C37 PolarHBondContact O-N 3.07Å; W35-C37 PolarHBondContact O-N 3.23Å; C37-R40 PolarHBondContact O-N 2.83Å; C37-K41 PolarHBondContact O-N 2.84Å; C37-K41 VanDerWaalsContact O-N 3.1Å
38C51Low53.3Low92 Ų92126.6 Ų126.662%0.62265%0.651SS**Hα-helixtrans-69.4-37.8175.2-69.60000112.6A34 W35 I36A34-C38 WeakPolarHBondContact O-CB 3.44Å; A34-C38 PolarHBondContact O-N 2.85Å; A34-C38 PolarHBondContact O-SG 2.1Å; W35-C38 PolarHBondContact O-N 3.48Å; I36-C38 VanDerWaalsContact C-N 3.35Å; I36-C38 PolarHBondContact O-N 3.48Å
39Q51.5Low52.1Low130 Ų130124.5 Ų124.561%0.60765%0.652SS**Hα-helixtrans-63.4-46.6171-91.3-164.9-1500112W35 I36 K41 N42W35-Q39 PolarHBondContact O-N 2.87Å; I36-Q39 PolarHBondContact O-N 3.41Å; Q39-K41 VanDerWaalsContact C-N 3.28Å; Q39-K41 PolarHBondContact O-N 3.5Å; Q39-N42 PolarHBondContact O-N 3.08Å
40R42.6Very low50.4Low204 Ų204124.7 Ų124.777%0.7765%0.654SS**Hα-helixtrans-69.1-22.3-176.5-161.4171.5-174.1170.52.1113.7I36 C37 N42 T43I36-R40 WeakPolarHBondContact O-CB 2.94Å; I36-R40 PolarHBondContact O-N 2.99Å; C37-R40 PolarHBondContact O-N 2.83Å; R40-N42 VanDerWaalsContact C-N 3.33Å; R40-T43 PolarHBondContact O-OG1 2.85Å
41K40.6Very low48.8Very low184 Ų184128.3 Ų128.380%0.867%0.673SS**Hα-helixtrans-78-14.9172-121.6175.4-177.2176.20113.7C37 Q39C37-K41 PolarHBondContact O-N 2.84Å; C37-K41 VanDerWaalsContact O-N 3.1Å; Q39-K41 VanDerWaalsContact C-N 3.28Å; Q39-K41 PolarHBondContact O-N 3.5Å
42N39.9Very low47.2Very low141 Ų141133.7 Ų133.775%0.75468%0.684SS**SBendtrans-93.8-7.7-177.1-144.425.3000113.7Q39 R40Q39-N42 PolarHBondContact O-N 3.08Å; R40-N42 VanDerWaalsContact C-N 3.33Å
43T41.8Very low45.5Very low108 Ų108141.1 Ų141.166%0.66371%0.707SS**SBendtrans-97.41.5-179.652.10000114.6R40R40-T43 PolarHBondContact O-OG1 2.85Å
44N43.8Very low44.2Very low144 Ų144141.9 Ų141.977%0.7771%0.71SS**  trans-127.261.1-179.1-99.9-30.9000112.9
45K35.6Very low42.9Very low182 Ų182143.3 Ų143.379%0.79171%0.713SS**  trans-121.385.7156.5-77.3-170.8178.5-179.60109.8Q47K45-Q47 PolarHBondContact O-N 3.32Å
46S45Very low41.8Very low113 Ų113138.7 Ų138.779%0.7970%0.699SS**  trans-59.7114.9160.5179.60000108.6
47Q34.5Very low40.3Very low165 Ų165141 Ų14177%0.77171%0.71SS**  trans-116.1103.1167-81.3-165.6-39.700109.1K45 T49K45-Q47 PolarHBondContact O-N 3.32Å; Q47-T49 PolarHBondContact O-N 2.89Å
48K38.6Very low39.6Very low200 Ų200141.5 Ų141.587%0.8771%0.707SS**PPolyproline II helixtrans-63.8116.8156.3-67179.5177.3-178.20107.3
49T33.4Very low38.9Very low123 Ų123146.8 Ų146.876%0.75572%0.72SS**PPolyproline II helixtrans-91.4130.617442.80000110.3Q47Q47-T49 PolarHBondContact O-N 2.89Å
50P31.1Very low38.4Very low88 Ų88144.3 Ų144.357%0.57173%0.729SS**PPolyproline II helixtrans-76.8157.3168.531.7-32.6000110.7Y52P50-Y52 HydrophobicContact CB-CD2 4.48Å; P50-Y52 HydrophobicContact CB-CE2 4.36Å; P50-Y52 HydrophobicContact CG-CD2 3.98Å; P50-Y52 HydrophobicContact CG-CE2 3.85Å; P50-Y52 PolarHBondContact O-N 3.43Å
51P32.9Very low38.1Very low136 Ų136140.4 Ų140.488%0.88373%0.727SS**  trans-78.694.4-173.631.8-34.9000111.8
52Y35.8Very low37.9Very low184 Ų184139 Ų13972%0.72273%0.729SS**  trans-102.5115.4169.5-82.2-82.8000111.3P50 F54P50-Y52 HydrophobicContact CB-CD2 4.48Å; P50-Y52 HydrophobicContact CB-CE2 4.36Å; P50-Y52 HydrophobicContact CG-CD2 3.98Å; P50-Y52 HydrophobicContact CG-CE2 3.85Å; P50-Y52 PolarHBondContact O-N 3.43Å; Y52-F54 PolarHBondContact O-N 2.96Å
53K31.6Very low37.9Very low206 Ų206138.4 Ų138.490%0.89672%0.724SS**  trans-71.4112.5167.5-71.2178.3177.2178.80108.9V55K53-V55 PolarHBondContact O-N 3.11Å
54F39.5Very low37.5Very low163 Ų163143.4 Ų143.472%0.71573%0.733SS**  trans-81.2114.5174.3-81-90.7000110.6Y52Y52-F54 PolarHBondContact O-N 2.96Å
55V37.9Very low37.1Very low84 Ų84142.2 Ų142.251%0.50973%0.733SS.*EExtended strand (participates in β ladder)trans-97.6113.9169.6178.40000108.1K53 M57K53-V55 PolarHBondContact O-N 3.11Å; V55-M57 PolarHBondContact O-N 3.12Å
56H43.4Very low37.4Very low93 Ų93143.4 Ų143.443%0.43174%0.741SS.*EExtended strand (participates in β ladder)trans-75.294.8176.7-83.9-121.9000110.5L58H56-L58 PolarHBondContact O-N 3.14Å
57M37.2Very low36.9Very low148 Ų148142.3 Ų142.373%0.72973%0.733SS**  trans-89.587.6-179.3-161.5-170.5-44.800111V55 K59V55-M57 PolarHBondContact O-N 3.12Å; M57-K59 PolarHBondContact O-N 3.35Å
58L43.3Very low36.9Very low83 Ų83143.2 Ų143.244%0.43574%0.742SS.*  trans-80.499.2179.7-70.8172000112H56 I63 V224H56-L58 PolarHBondContact O-N 3.14Å; L58-I63 HydrophobicContact CD2-CD1 3.86Å; L58-V224 HydrophobicContact CD1-CG1 4.11Å
59K36.5Very low36.6Very low204 Ų204139.3 Ų139.389%0.88774%0.741SS**  trans-89.3118.3151.8-138.6175.7-173.8179.20106.3M57 V61M57-K59 PolarHBondContact O-N 3.35Å; K59-V61 PolarHBondContact O-N 2.95Å; K59-V61 VanDerWaalsContact O-N 3.09Å
60G41.8Very low36.4Very low77 Ų77137.3 Ų137.379%0.79474%0.744SS**SBendtrans-63.6108.4-159.700000115.7
61V35.3Very low36.5Very low122 Ų122142.9 Ų142.974%0.73976%0.759SS**SBendtrans-149.1144.3155.2-179.20000106.7K59 I63K59-V61 PolarHBondContact O-N 2.95Å; K59-V61 VanDerWaalsContact O-N 3.09Å; V61-I63 PolarHBondContact O-N 3.44Å
62D36Very low36.4Very low155 Ų155146.3 Ų146.383%0.82976%0.76SS**  trans-61.2127.9176.4-72.1-64.1000112.2Y64D62-Y64 VanDerWaalsContact C-N 3.29Å; D62-Y64 PolarHBondContact O-N 2.97Å
63I41.2Very low36.2Very low129 Ų129146.7 Ų146.766%0.66277%0.766SS**SBendtrans-95.442.3-176.3-38.3-179000111.6L58 V61L58-I63 HydrophobicContact CD2-CD1 3.86Å; V61-I63 PolarHBondContact O-N 3.44Å
64Y34.1Very low36Very low213 Ų213147.4 Ų147.484%0.83577%0.769SS**  trans-143.2106.6166.1-78.1-74.4000109.8D62 E66D62-Y64 VanDerWaalsContact C-N 3.29Å; D62-Y64 PolarHBondContact O-N 2.97Å; Y64-E66 PolarHBondContact O-N 2.84Å
65P34Very low35.5Very low119 Ų119144 Ų14477%0.77377%0.771SS**  trans-75.5121.9174.329.1-32000111S67P65-S67 PolarHBondContact O-N 3.38Å
66E41.6Very low35Very low206 Ų206145.2 Ų145.296%0.96379%0.79SS**  trans-70.386.9164.9-73.6-164.2155.400110.6Y64Y64-E66 PolarHBondContact O-N 2.84Å
67S35.2Very low34.2Very low91 Ų91145 Ų14564%0.63680%0.804SS**  trans-159.383165670000114.4P65P65-S67 PolarHBondContact O-N 3.38Å
68L35.1Very low33.8Very low183 Ų183143.7 Ų143.796%0.95880%0.804SS**  trans-140.564.4158.8-80.3-175.2000112.6
69S31.7Very low33.1Very low119 Ų119145.3 Ų145.383%0.83282%0.818SS**  trans-142.755.5157.467.20000111.4K71S69-K71 PolarHBondContact O-N 3.03Å
70G29.8Very low32.6Very low80 Ų80140.6 Ų140.683%0.82581%0.811SS**  trans-66114.9172.200000111.7
71K32.2Very low32Very low205 Ų205143.9 Ų143.989%0.89182%0.816SS**  trans-43.2137.1178.3-62.4167.1178.4173.40113.8S69S69-K71 PolarHBondContact O-N 3.03Å
72K31.9Very low31.7Very low209 Ų209142 Ų14291%0.90981%0.813SS**  trans-102.8136.8146.5-91.7-173.91761790109.7
73K30.1Very low31.4Very low192 Ų192141.5 Ų141.584%0.83581%0.811SS**  trans-75.3144.5-175.6-62.5171.8175177.30111.4
74F28.7Very low30.8Very low221 Ų221142.6 Ų142.697%0.96982%0.818SS**  trans-126.1153139.2-88.5-83.4000108
75A27.9Very low30.7Very low91 Ų91136.6 Ų136.675%0.75281%0.812SS**  trans-137.5151.4-170.500000111.8
76A28.4Very low30.5Very low109 Ų109135.2 Ų135.290%0.90181%0.811SS**  trans63.4144.2176.900000116.1
77A26.5Very low29.9Very low88 Ų88134.7 Ų134.773%0.72781%0.805SS**  cis-129.1-179.5-3.500000108.6
78T28.5Very low29.6Very low121 Ų121136.4 Ų136.474%0.74281%0.812SS**  cis-167.7144.347.4-29.60000111.7
79T28.8Very low29.3Very low118 Ų118134.1 Ų134.172%0.72480%0.801SS**  trans41.2120.8150.246.60000124.2
80S25.7Very low29.4Very low105 Ų105134.9 Ų134.973%0.73480%0.8SS**  trans39.7138.6132.2640000121.2
81T29.3Very low29.4Very low145 Ų145138.1 Ų138.189%0.8980%0.799SS**  cis-144.317648.643.30000114.4
82A29.1Very low29.3Very low84 Ų84133.3 Ų133.369%0.69480%0.797SS**  trans-106.6158.1-169.400000114.7
83N29.1Very low29.5Very low144 Ų144131.6 Ų131.677%0.7780%0.797SS**  -179139.2114.1-90.30.8000112.9
84D30Very low29.5Very low152 Ų152129.9 Ų129.981%0.81379%0.791SS**  trans45.4139.7147.1-64.8-27.6000122.8
85A30.2Very low29.9Very low87 Ų87126.5 Ų126.572%0.71978%0.783SS**  cis-159.3164.3-3.900000112.6
86A30Very low30Very low90 Ų90128.6 Ų128.674%0.74478%0.782SS**  trans6149.6148.900000120
87K30.7Very low30.5Very low194 Ų194131 Ų13184%0.84378%0.778SS**  cis-179.6161.712.3-114.4174.1-175.9177.40106.7
88T28.7Very low30.9Very low127 Ų127135.7 Ų135.778%0.77979%0.785SS**  cis-148.1166.4-8.4-36.60000107.5
89D27.3Very low31.3Very low136 Ų136140.2 Ų140.273%0.72780%0.795SS**  trans-88.9171.3168.2-148-22.3000111.9
90V33.8Very low32Very low134 Ų134145.9 Ų145.981%0.81280%0.803SS**  trans161.6128.9138.2165.80000111.6
91N30Very low33.4Very low149 Ų149146.8 Ų146.880%0.79780%0.799SS**  trans-70.4156.6178.4-52.5-79.6000115.3
92A31.3Very low34.5Very low104 Ų104148.4 Ų148.486%0.8680%0.802SS**  trans-158.4135.913600000112
93L34.8Very low35.4Very low172 Ų172151.6 Ų151.690%0.90181%0.807SS**  trans-93.4135.9167.5-73.6158.7000108.8
94H30.4Very low36.4Very low156 Ų156147.9 Ų147.972%0.72280%0.803SS**  trans-141.3118.1164.3-158.698.2000109.8D96H94-D96 IonicContact CD2-OD2 3.71Å; H94-D96 IonicContact CE1-OD2 3.76Å; H94-D96 IonicContact NE2-OD2 2.78Å; H94-D96 PolarHBondContact NE2-OD2 2.91Å
95L37.4Very low36.9Very low151 Ų151147.4 Ų147.479%0.79180%0.8SS**  trans-91.5134.9161.1-88.977.1000106.9
96D31.1Very low37.4Very low135 Ų135152.2 Ų152.272%0.72281%0.805SS**  trans-148.5149.1151.7-111.5-41.3000114.2H94H94-D96 IonicContact CD2-OD2 3.71Å; H94-D96 IonicContact CE1-OD2 3.76Å; H94-D96 IonicContact NE2-OD2 2.78Å; H94-D96 PolarHBondContact NE2-OD2 2.91Å
97L37.6Very low37.6Very low159 Ų159154.8 Ų154.883%0.83281%0.812SS**  trans-98.4116.2175.7-91.768.1000109.2
98E34.4Very low37.9Very low186 Ų186151.9 Ų151.987%0.86981%0.811SS**  trans-135.8106.9164-70.6-158.413800113.6
99K38.6Very low38.4Very low217 Ų217154.5 Ų154.594%0.94381%0.811SS**  trans-144.283.6144.6-76.9-159.4177.2-176.30109.3
100R43Very low38.8Very low236 Ų236154.1 Ų154.189%0.89182%0.816SS**  trans-125.8150.7157.3-71.3-173.6178.6117.7-2.7107.3
101D54.5Low38.6Very low125 Ų125156.1 Ų156.167%0.66881%0.814SS**  trans-98.3156.8-178.656.8-24.6000112.8N103 G104D101-N103 PolarHBondContact O-N 2.62Å; D101-G104 PolarHBondContact O-N 3.45Å
102L51.9Low38.7Very low179 Ų179158.2 Ų158.294%0.93782%0.819SS**THydrogen-bonded Turntrans-70.36.4-159.1-76.6159.2000116.2
103N49Very low38.7Very low150 Ų150161.1 Ų161.180%0.80281%0.814SS**THydrogen-bonded Turntrans-122.94.8179.1-73.881.3000114.1D101 N105D101-N103 PolarHBondContact O-N 2.62Å; N103-N105 PolarHBondContact O-N 2.92Å; N103-N105 VanDerWaalsContact O-N 3.14Å
104G49.9Very low38.6Very low66 Ų66161.8 Ų161.868%0.6881%0.812SS**  trans66.420154.200000118.4D101D101-G104 PolarHBondContact O-N 3.45Å
105N39.7Very low38.6Very low142 Ų142161.3 Ų161.376%0.75981%0.81SS**  trans-121.7133.3-176.2-120.25.4000113N103 T107N103-N105 PolarHBondContact O-N 2.92Å; N103-N105 VanDerWaalsContact O-N 3.14Å; N105-T107 PolarHBondContact O-N 2.78Å
106F40.8Very low38.1Very low189 Ų189162.6 Ų162.683%0.82981%0.812SS**PPolyproline II helixtrans-76.2116.5176.3-75.5-90.8000111.2
107T34Very low37.8Very low144 Ų144161.2 Ų161.288%0.88381%0.808SS**PPolyproline II helixtrans-87.2121.7172.748.60000111.3N105N105-T107 PolarHBondContact O-N 2.78Å
108T37.3Very low37.3Very low133 Ų133159.4 Ų159.482%0.81680%0.804SS**PPolyproline II helixtrans-102.4153.1170.740.10000110.6
109K38.9Very low37Very low182 Ų182161.7 Ų161.779%0.79181%0.805SS**  trans-15.7156.4176.1-52.9178.7-178.5179.90118.9
110P36.8Very low36.6Very low128 Ų128156.2 Ų156.283%0.83179%0.794SS**  trans-117.5137.7137.833.7-24.3000113.3
111F30Very low36.1Very low176 Ų176150.5 Ų150.577%0.77279%0.79SS**  trans-92.4148.8149.4-97.6-93.1000107.6
112H31.5Very low35.9Very low193 Ų193150 Ų15089%0.89479%0.794SS**  trans-162.1147.8135.8-110.7-71.9000112.3
113H32.1Very low34.8Very low165 Ų165148.2 Ų148.276%0.76479%0.785SS**  trans-74155.5-177.8-80.2-64.6000114.6
114H31Very low34Very low186 Ų186148.1 Ų148.186%0.86178%0.784SS**  trans-132.1157.7137.1-148.253.9000110.7
115H30.2Very low33Very low146 Ų146153.4 Ų153.468%0.67679%0.791SS**  trans-145.7125-155.7-167.7-63.5000111.4
116Q26.8Very low32.9Very low177 Ų177154.4 Ų154.483%0.82780%0.795SS**  trans-17095.9163.5-105.5167.813.600108.1
117T25.4Very low32.7Very low106 Ų106151.3 Ų151.365%0.6579%0.794SS**  66.111394.459.50000116.5
118V28.4Very low32.8Very low122 Ų122149.6 Ų149.674%0.73979%0.788SS**  162.4121.6113.9159.70000111.6
119R27.5Very low33.2Very low233 Ų233149.3 Ų149.388%0.87979%0.788SS**  trans55.5147.8155.9-72.3173.3176.3170.6-3.1119.7
120S29.6Very low33Very low103 Ų103149.5 Ų149.572%0.7279%0.792SS**  cis-167.9141.5-8.640.70000111.2
121S33.7Very low32.6Very low116 Ų116150.4 Ų150.481%0.81180%0.796SS**  trans-100.6177.2156.1-41.50000107.6
122P49.2Very low32.5Very low115 Ų115144.8 Ų144.875%0.74779%0.787SS**  cis-143.2-169.830.643.1-21.1000117.5
123D30.1Very low32.7Very low140 Ų140145 Ų14575%0.74979%0.786SS**  trans-43.6164.3177.2-49.2-78.4000118.3
124L32.1Very low32.5Very low148 Ų148143.5 Ų143.578%0.77579%0.788SS**  -174.2129.1108.8-94.2167.2000114.1
125E28.1Very low32.8Very low178 Ų178143 Ų14383%0.83279%0.786SS**  trans45.9142.3141.7-68.9-178.9145.500126
126L37.8Very low33.5Very low163 Ų163141.9 Ų141.985%0.85379%0.792SS**  trans-61.8153.5162.7-74.9157.6000111.7
127P35.8Very low33.6Very low124 Ų124136.8 Ų136.881%0.80579%0.787SS**  -151.216583.438.9-20.2000117.1
128S37Very low34Very low107 Ų107136.1 Ų136.175%0.74879%0.792SS**  trans-95.1153.6155.250.90000109.8
129P46.1Very low34.2Very low128 Ų128138.3 Ų138.383%0.83180%0.796SS**  -151.7-165100.639.2-19.2000115.4
130Q33.5Very low34.4Very low185 Ų185132.7 Ų132.786%0.86478%0.78SS**  trans-88.7167.2-161-54.7166.8-46.200116.8
131T29.9Very low34.4Very low148 Ų148138 Ų13891%0.90878%0.784SS**  trans-173.2150.6140.416.60000108.4
132G27.3Very low34.4Very low57 Ų57143.1 Ų143.159%0.58879%0.786SS**  cis155.5131-9.800000112.7
133F34.5Very low33.4Very low199 Ų199144.5 Ų144.587%0.87379%0.787SS**  trans74.2148.9166-55.1-81.4000118.8
134T29.8Very low35Very low132 Ų132143.4 Ų143.481%0.8179%0.788SS**  cis-150.6157.39.6-21.20000113.5
135Q35.8Very low35.7Very low175 Ų175142.3 Ų142.382%0.81879%0.79SS**  trans-94.5-167.7164.2-119-174.92500110.3
136P45.4Very low36Very low123 Ų123139 Ų13980%0.79979%0.786SS**  cis-131-175.315.941.6-22.4000114.1
137G29.7Very low36.7Very low71 Ų71136.8 Ų136.873%0.73278%0.782SS**  cis175.7-175.912.300000106.6
138A32.2Very low36.5Very low92 Ų92136.1 Ų136.176%0.7678%0.78SS**  cis-161.8158.80.100000110.8
139M32.8Very low36.3Very low167 Ų167136.4 Ų136.482%0.82378%0.782SS**  trans61.9144.9152.5-99.7160.9163.500120.1
140E31.3Very low35.6Very low115 Ų115134.6 Ų134.654%0.53778%0.777SS.*  cis-163.7150.511.4-163.6157-159.900114.4
141R30.3Very low35.6Very low215 Ų215133.6 Ų133.681%0.81178%0.777SS**  trans40.6134.2159.2-66.2164.3-146.5-130.19.6121.5
142R33.4Very low35.6Very low223 Ų223131.8 Ų131.884%0.84277%0.771SS**  cis101.28812.6-152.8-161.7-74.8-168.9-0.2119.3
143D28.4Very low35.8Very low144 Ų144134 Ų13477%0.7778%0.777SS**  trans61.5-176.1136.3-38.5-35.4000123.2
144P63.1Low35.8Very low117 Ų117133.8 Ų133.876%0.7678%0.778SS**  -131.4-172-10744.3-23.3000115.1
145P48.1Very low35.8Very low126 Ų126131.8 Ų131.882%0.81878%0.776SS**  -161.6-159.283.443.8-19.8000117.3
146S33.4Very low35.9Very low109 Ų109129.4 Ų129.476%0.76278%0.775SS**  trans-95.9-166.1175.7-32.20000113.1
147P53.2Low35.4Very low116 Ų116129.9 Ų129.975%0.75378%0.776SS**  cis-140.6-166.8-12.440.8-19.9000116.3
148S31.5Very low35.7Very low110 Ų110132.2 Ų132.277%0.76978%0.778SS**  trans115.3120.6141.277.20000124.1
149S32.8Very low35.9Very low113 Ų113132.8 Ų132.879%0.7978%0.783SS**  trans51.4129.5133.764.70000127.4
150A31.5Very low36.1Very low89 Ų89131.2 Ų131.274%0.73678%0.783SS**  116.3122.5122.400000123
151L34.1Very low36.4Very low165 Ų165133.4 Ų133.486%0.86480%0.798SS**  trans69.2112.8143.9-94.275.3000125.1
152S28.9Very low36.5Very low110 Ų110134 Ų13477%0.76980%0.8SS**  72.4117.7119.5-164.70000122.8
153S31.9Very low36.7Very low102 Ų102129.1 Ų129.171%0.71380%0.797SS**  -170.9126.1120.651.80000115
154Q34.2Very low37.4Very low195 Ų195131.6 Ų131.691%0.91180%0.804SS**  trans61.2132.9146.6-58.6-178.28.600122.3
155A30Very low36Very low91 Ų91129.4 Ų129.475%0.75280%0.803SS**  trans-100.8163.9160.600000109.1
156P37.8Very low35.5Very low125 Ų125131 Ų13181%0.81280%0.804SS**  -140.3168.167.933.2-13.1000116.4
157T35.8Very low36.1Very low133 Ų133135.2 Ų135.282%0.81681%0.812SS**  trans-66.7156.9175.349.50000113.7
158P34Very low35.5Very low120 Ų120139 Ų13978%0.77982%0.817SS**  -138.2157.292.536.4-23.4000115.9
159A38Very low36.1Very low103 Ų103143 Ų14385%0.85182%0.823SS**  trans21.3110.2158.600000119.6
160V37.1Very low37.4Very low135 Ų135140.9 Ų140.982%0.81882%0.819SS**  trans-107.8117.4156.9175.20000108.2R162V160-R162 PolarHBondContact O-N 2.84Å
161D36.6Very low39.7Very low160 Ų160139.4 Ų139.486%0.85681%0.813SS**PPolyproline II helixtrans-56.5121.8165.3-87.7-43.4000109.5
162R33.1Very low42.5Very low228 Ų228133.2 Ų133.286%0.8678%0.781SS**PPolyproline II helixtrans-89.7133.2161.5-87.2178.576.3-1744.1108V160 Q164V160-R162 PolarHBondContact O-N 2.84Å; R162-Q164 PolarHBondContact O-N 2.86Å
163P37.4Very low45.6Very low121 Ų121128.5 Ų128.579%0.78675%0.749SS**PPolyproline II helixtrans-57142.4178.6-21.731.7000111G165P163-G165 PolarHBondContact O-N 2.69Å; P163-G165 VanDerWaalsContact O-N 3.08Å
164Q43.2Very low48.7Very low195 Ų195125.5 Ų125.591%0.91173%0.727SS**  trans-54.8114.7165.6-71168.3-59.100108.2R162R162-Q164 PolarHBondContact O-N 2.86Å
165G33.5Very low51.8Low71 Ų71116.2 Ų116.273%0.73268%0.684SS**  trans-83.4130166.900000108.5P163P163-G165 PolarHBondContact O-N 2.69Å; P163-G165 VanDerWaalsContact O-N 3.08Å
166D36.8Very low55Low159 Ų159114.3 Ų114.385%0.8566%0.659SS**  trans-49.8141.7-174.4-62.3-66.4000113.6K168D166-K168 PolarHBondContact O-N 3.36Å
167E46.8Very low57.9Low199 Ų199108.4 Ų108.493%0.9362%0.621SS**  trans-62.995.1173.8-63.8-178.5129.400110.4E169E167-E169 PolarHBondContact O-N 2.92Å
168K40.3Very low60.8Low194 Ų194102.1 Ų102.184%0.84358%0.582SS**  trans-69.3117.7157.3-77.9-171.1174.1-174.70108.1D166 G170D166-K168 PolarHBondContact O-N 3.36Å; K168-G170 PolarHBondContact O-N 2.83Å; K168-G170 VanDerWaalsContact O-N 3.07Å
169E44.3Very low63.9Low194 Ų19496.4 Ų96.491%0.90755%0.545SS*.  trans-47.5119160.7-73.5-168.8124.500108.6E167 G171E167-E169 PolarHBondContact O-N 2.92Å; E169-G171 PolarHBondContact O-N 3.35Å; E169-G171 VanDerWaalsContact O-N 3.1Å
170G59.3Low66.6Low69 Ų6993 Ų9371%0.71151%0.512SS*.  trans-65.5112.1-170.600000111.9K168K168-G170 PolarHBondContact O-N 2.83Å; K168-G170 VanDerWaalsContact O-N 3.07Å
171G80.6Confident69.4Low59 Ų5987.8 Ų87.861%0.60848%0.477SS*.  trans-60.5154.9169.100000111.5E169 G173E169-G171 PolarHBondContact O-N 3.35Å; E169-G171 VanDerWaalsContact O-N 3.1Å; G171-G173 PolarHBondContact O-N 2.84Å
172L91.9Very high72.1Confident34 Ų3483.3 Ų83.318%0.17845%0.452CS..  trans-83.623-173.4-48176.8000113.4T199 I272 I295 K297L172-T199 VanDerWaalsContact CD2-OG1 3.24Å; L172-T199 WeakPolarHBondContact CD2-OG1 3.12Å; L172-I272 WeakPolarHBondContact CD1-O 3.42Å; L172-I295 HydrophobicContact CB-CB 4.35Å; L172-I295 HydrophobicContact CB-CG2 4.05Å; L172-K297 HydrophobicContact CD1-CB 3.72Å; L172-K297 HydrophobicContact CD1-CG 4.19Å
173G94.9Very high74.8Confident11 Ų1176 Ų7611%0.11344%0.439CS..  trans90.6-179.6-174.900000115.1G171 H196 G197 I295G171-G173 PolarHBondContact O-N 2.84Å; G173-H196 CarbonylContact C-O 3.34Å; G173-H196 WeakPolarHBondContact CA-O 3.22Å; G173-G197 WeakPolarHBondContact CA-O 3.46Å; G173-G197 PolarHBondContact N-O 2.86Å; G173-I295 WeakPolarHBondContact O-CB 3.45Å; G173-I295 PolarHBondContact O-N 2.78Å
174T97.3Very high77.3Confident40 Ų4079.3 Ų79.325%0.24544%0.444CS..EExtended strand (participates in β ladder)trans-128.5137.1-179-60.70000110.1A195 H196 S292T174-A195 CarbonylContact O-C 3.5Å; T174-A195 WeakPolarHBondContact O-CA 3.36Å; T174-A195 WeakPolarHBondContact O-CB 3.43Å; T174-H196 PolarHBondContact N-O 2.83Å; T174-H196 PolarHBondContact O-N 2.85Å; T174-S292 WeakPolarHBondContact CG2-OG 3.4Å
175L98.2Very high79.4Confident0 Ų077.3 Ų77.30%043%0.429CS..EExtended strand (participates in β ladder)trans-103.8128.7179179.161.3000111.3F177 I192 A195 I212 F258 S292 R293 I295L175-F177 HydrophobicContact CD2-CD1 4.39Å; L175-F177 HydrophobicContact CG-CD1 4.06Å; L175-I192 HydrophobicContact CD1-CG2 4.28Å; L175-A195 HydrophobicContact CD1-CB 4.2Å; L175-I212 HydrophobicContact CD1-CD1 3.39Å; L175-I212 HydrophobicContact CD2-CD1 4.24Å; L175-I212 HydrophobicContact CG-CD1 4.47Å; L175-F258 HydrophobicContact CD2-CB 3.69Å; L175-F258 HydrophobicContact CD2-CD1 3.85Å; L175-F258 HydrophobicContact CD2-CD2 4.06Å; L175-F258 HydrophobicContact CD2-CE1 4.46Å; L175-F258 HydrophobicContact CD2-CG 3.61Å; L175-S292 WeakPolarHBondContact O-CA 3.24Å; L175-R293 PolarHBondContact N-O 2.9Å; L175-R293 PolarHBondContact O-N 3.34Å; L175-I295 HydrophobicContact CB-CD1 4.38Å; L175-I295 HydrophobicContact CB-CG1 4.14Å
176H98.3Very high82.1Confident50 Ų5080.3 Ų80.323%0.23142%0.421CS..EExtended strand (participates in β ladder)trans-112.2129.3177.4-61.3-93.8000111.1K193 E194 H196 S292H176-K193 WeakPolarHBondContact O-CB 3.36Å; H176-K193 PolarHBondContact O-N 2.94Å; H176-E194 HydrophobicContact CB-CG 4.04Å; H176-E194 PolarHBondContact N-O 2.91Å; H176-E194 PolarHBondContact O-N 2.75Å; H176-H196 AromaticContact CD2-CD2 3.73Å; H176-H196 AromaticContact NE2-CD2 3.71Å; H176-S292 PolarHBondContact CE1-OG 2.88Å
177F98.4Very high84.8Confident1 Ų172.8 Ų72.80%0.00438%0.381CS..EExtended strand (participates in β ladder)trans-155170.9-177.461.9-75.3000110.9L175 L179 H191 F258 V277 M291 R293L175-F177 HydrophobicContact CD2-CD1 4.39Å; L175-F177 HydrophobicContact CG-CD1 4.06Å; F177-L179 HydrophobicContact CD2-CD2 3.89Å; F177-L179 HydrophobicContact CD2-CG 4.32Å; F177-L179 HydrophobicContact CE2-CD1 4.49Å; F177-L179 HydrophobicContact CE2-CD2 3.96Å; F177-L179 HydrophobicContact CE2-CG 4.16Å; F177-H191 CarbonylContact C-O 3.37Å; F177-H191 WeakPolarHBondContact CA-O 3.36Å; F177-H191 VanDerWaalsContact CB-O 3.27Å; F177-H191 WeakPolarHBondContact CB-O 3.46Å; F177-F258 HydrophobicContact CD1-CZ 4.43Å; F177-F258 HydrophobicContact CD2-CE2 4.17Å; F177-F258 AromaticContact CD2-CZ 3.65Å; F177-F258 HydrophobicContact CD2-CZ 3.65Å; F177-F258 HydrophobicContact CE1-CE2 4.22Å; F177-F258 HydrophobicContact CE1-CZ 4.49Å; F177-F258 AromaticContact CE2-CE2 3.75Å; F177-F258 HydrophobicContact CE2-CE2 3.75Å; F177-F258 AromaticContact CE2-CZ 3.69Å; F177-F258 HydrophobicContact CE2-CZ 3.69Å; F177-F258 HydrophobicContact CG-CZ 4.05Å; F177-F258 AromaticContact CZ-CE2 3.81Å; F177-F258 HydrophobicContact CZ-CE2 3.81Å; F177-F258 HydrophobicContact CZ-CZ 4.15Å; F177-V277 HydrophobicContact CZ-CG1 4.37Å; F177-V277 HydrophobicContact CZ-CG2 3.92Å; F177-M291 HydrophobicContact CE1-CB 4.01Å; F177-M291 HydrophobicContact CE2-CB 4.17Å; F177-M291 HydrophobicContact CE2-CE 3.54Å; F177-M291 HydrophobicContact CZ-CB 3.8Å; F177-M291 HydrophobicContact CZ-CE 3.7Å; F177-M291 PolarHBondContact N-O 2.9Å; F177-M291 PolarHBondContact O-N 2.85Å; F177-M291 VanDerWaalsContact O-O 3.1Å; F177-R293 HydrophobicContact CE1-CB 4.27Å; F177-R293 HydrophobicContact CE1-CG 3.85Å; F177-R293 HydrophobicContact CZ-CG 4.11Å
178S97.8Very high87.1Confident2 Ų263.3 Ų63.31%0.01434%0.337CS..EExtended strand (participates in β ladder)trans-134.9146.5171.552.20000112.4H191 V289S178-H191 PolarHBondContact N-O 3.27Å; S178-H191 PolarHBondContact O-N 2.94Å; S178-V289 CarbonylContact C-O 3.54Å; S178-V289 WeakPolarHBondContact CA-O 3.49Å; S178-V289 VanDerWaalsContact CB-O 3.22Å; S178-V289 WeakPolarHBondContact CB-O 3.29Å
179L97.4Very high89.7Confident0 Ų054.7 Ų54.70%030%0.3CS..EExtended strand (participates in β ladder)trans-111.9143177.2-56-171000109.8F177 F188 I189 V190 L256 L279 I282 L284 R288 V289 M291F177-L179 HydrophobicContact CD2-CD2 3.89Å; F177-L179 HydrophobicContact CD2-CG 4.32Å; F177-L179 HydrophobicContact CE2-CD1 4.49Å; F177-L179 HydrophobicContact CE2-CD2 3.96Å; F177-L179 HydrophobicContact CE2-CG 4.16Å; L179-F188 HydrophobicContact CB-CE2 4.23Å; L179-F188 HydrophobicContact CD1-CE2 4.46Å; L179-F188 HydrophobicContact CD1-CZ 4.23Å; L179-F188 HydrophobicContact CD2-CE2 4.37Å; L179-F188 HydrophobicContact CD2-CZ 4.04Å; L179-I189 WeakPolarHBondContact CA-O 3.08Å; L179-V190 HydrophobicContact CD2-CB 4.26Å; L179-V190 HydrophobicContact CD2-CG1 3.94Å; L179-V190 HydrophobicContact CD2-CG2 3.91Å; L179-L256 HydrophobicContact CD1-CD1 4.16Å; L179-L256 HydrophobicContact CD2-CD1 3.47Å; L179-L256 VanDerWaalsContact CD2-CD1 3.47Å; L179-L256 HydrophobicContact CG-CD1 4.48Å; L179-L279 HydrophobicContact CD1-CD2 3.59Å; L179-I282 HydrophobicContact CD1-CD1 4.08Å; L179-L284 HydrophobicContact CB-CD2 3.72Å; L179-R288 CarbonylContact O-C 3.49Å; L179-R288 WeakPolarHBondContact O-CA 3.2Å; L179-V289 PolarHBondContact N-O 2.87Å; L179-V289 PolarHBondContact O-N 2.86Å; L179-M291 HydrophobicContact CD1-CE 3.36Å; L179-M291 HydrophobicContact CG-CE 3.87Å
180E96Very high92.2Very high32 Ų3245.4 Ų45.415%0.1526%0.257CS..EExtended strand (participates in β ladder)trans-151.3143.9179.8-175.3-174.5125.400108.7Q182 I189 R288E180-Q182 PolarHBondContact OE1-NE2 2.7Å; E180-I189 HydrophobicContact CB-CB 4.3Å; E180-I189 PolarHBondContact N-O 3.2Å; E180-I189 PolarHBondContact O-N 3.24Å; E180-R288 HydrophobicContact CB-CB 4.37Å; E180-R288 HydrophobicContact CB-CG 4.48Å; E180-R288 HydrophobicContact CG-CB 4.38Å; E180-R288 IonicContact OE2-CZ 3.73Å; E180-R288 IonicContact OE2-NE 3.9Å; E180-R288 PolarHBondContact OE2-NE 3.09Å; E180-R288 IonicContact OE2-NH2 3.56Å; E180-R288 PolarHBondContact OE2-NH2 2.79Å
181Y95.5Very high94.1Very high24 Ų2443.6 Ų43.69%0.09423%0.23CC..EExtended strand (participates in β ladder)trans-118.7121.6173.7-171.4-93.8000111.4A183 K186 F188 I246 P247 L248 V251Y181-A183 HydrophobicContact CD1-CB 4.43Å; Y181-A183 HydrophobicContact CE1-CB 4.21Å; Y181-K186 WeakPolarHBondContact OH-CA 3.26Å; Y181-F188 HydrophobicContact CD2-CB 4.03Å; Y181-F188 HydrophobicContact CE2-CB 4.34Å; Y181-I246 VanDerWaalsContact CE2-O 3.24Å; Y181-I246 WeakPolarHBondContact CE2-O 3.47Å; Y181-I246 PolarHBondContact OH-O 2.98Å; Y181-P247 WeakPolarHBondContact OH-CA 3.48Å; Y181-L248 HydrophobicContact CD1-CB 4.03Å; Y181-L248 HydrophobicContact CD1-CD1 3.8Å; Y181-L248 HydrophobicContact CD1-CD2 4.48Å; Y181-L248 HydrophobicContact CD1-CG 4.31Å; Y181-L248 HydrophobicContact CD2-CD1 4.24Å; Y181-L248 HydrophobicContact CE1-CB 3.63Å; Y181-L248 HydrophobicContact CE1-CD1 4.3Å; Y181-L248 HydrophobicContact CE1-CG 4.41Å; Y181-L248 HydrophobicContact CE2-CB 4.47Å; Y181-L248 HydrophobicContact CG-CD1 3.77Å; Y181-L248 PolarHBondContact OH-N 3.49Å; Y181-L248 VanDerWaalsContact OH-N 3.08Å; Y181-V251 HydrophobicContact CD2-CG2 3.95Å; Y181-V251 HydrophobicContact CE2-CG2 3.94Å
182Q93.6Very high94.9Very high67 Ų6740.8 Ų40.831%0.31320%0.201SC..EExtended strand (participates in β ladder)trans-10097.9178.1-67.9-174.10.100110E180 E184 R185 K186 A187 I189E180-Q182 PolarHBondContact OE1-NE2 2.7Å; Q182-E184 PolarHBondContact O-N 2.97Å; Q182-R185 HydrophobicContact CB-CB 4.48Å; Q182-R185 PolarHBondContact O-N 3.01Å; Q182-K186 PolarHBondContact O-N 2.84Å; Q182-A187 PolarHBondContact N-O 2.98Å; Q182-A187 PolarHBondContact O-N 2.81Å; Q182-A187 VanDerWaalsContact O-N 3.15Å; Q182-I189 HydrophobicContact CG-CD1 3.77Å; Q182-I189 VanDerWaalsContact NE2-CD1 3.33Å
183A89.8Confident95.2Very high73 Ų7342.1 Ų42.160%0.60321%0.205SC*.G310 helixtrans-58.9-42.3-176.100000113.4Y181 R185 K186Y181-A183 HydrophobicContact CD1-CB 4.43Å; Y181-A183 HydrophobicContact CE1-CB 4.21Å; A183-R185 PolarHBondContact O-N 2.81Å; A183-K186 PolarHBondContact O-N 3.1Å; A183-K186 VanDerWaalsContact O-N 3.16Å
184E89.1Confident95.4Very high191 Ų19144.9 Ų44.989%0.89322%0.215SC*.G310 helixtrans-53.7-38.8176.9-60.6179.1174.900112.9Q182Q182-E184 PolarHBondContact O-N 2.97Å
185R88.3Confident95.4Very high154 Ų15443 Ų4358%0.58120%0.203SC*.G310 helixtrans-99.7-3.9-175-63.2-180-179-112.8-5.2113.1Q182 A183 A187 Y244Q182-R185 HydrophobicContact CB-CB 4.48Å; Q182-R185 PolarHBondContact O-N 3.01Å; A183-R185 PolarHBondContact O-N 2.81Å; R185-A187 HydrophobicContact CB-CB 3.88Å; R185-A187 PolarHBondContact O-N 3.36Å; R185-Y244 HydrophobicContact CB-CE1 4.46Å
186K90.2Very high95.3Very high133 Ų13346.5 Ų46.558%0.57822%0.22SC*.THydrogen-bonded Turntrans45.347.8-168.3-59.5-179.7-178.3178.60111.1Y181 Q182 A183 G245 I246Y181-K186 WeakPolarHBondContact OH-CA 3.26Å; Q182-K186 PolarHBondContact O-N 2.84Å; A183-K186 PolarHBondContact O-N 3.1Å; A183-K186 VanDerWaalsContact O-N 3.16Å; K186-G245 PolarHBondContact O-N 2.72Å; K186-I246 PolarHBondContact O-N 2.66Å
187A92.6Very high95.1Very high1 Ų146.1 Ų46.11%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-120.4121.2-170.500000110.7Q182 R185 F243 Y244Q182-A187 PolarHBondContact N-O 2.98Å; Q182-A187 PolarHBondContact O-N 2.81Å; Q182-A187 VanDerWaalsContact O-N 3.15Å; R185-A187 HydrophobicContact CB-CB 3.88Å; R185-A187 PolarHBondContact O-N 3.36Å; A187-F243 WeakPolarHBondContact CA-O 3.25Å; A187-Y244 HydrophobicContact CB-CD1 3.69Å; A187-Y244 HydrophobicContact CB-CE1 3.8Å; A187-Y244 HydrophobicContact CB-CG 4.42Å
188F94.6Very high95Very high0 Ų046.3 Ų46.30%023%0.23CC..EExtended strand (participates in β ladder)trans-89.5127.3169.7174.9-130.1000109.3L179 Y181 V190 L216 F243 V251 L256 L279 L284L179-F188 HydrophobicContact CB-CE2 4.23Å; L179-F188 HydrophobicContact CD1-CE2 4.46Å; L179-F188 HydrophobicContact CD1-CZ 4.23Å; L179-F188 HydrophobicContact CD2-CE2 4.37Å; L179-F188 HydrophobicContact CD2-CZ 4.04Å; Y181-F188 HydrophobicContact CD2-CB 4.03Å; Y181-F188 HydrophobicContact CE2-CB 4.34Å; F188-V190 HydrophobicContact CD1-CG2 4.37Å; F188-V190 HydrophobicContact CE1-CG2 3.81Å; F188-V190 HydrophobicContact CZ-CG2 3.94Å; F188-L216 HydrophobicContact CE1-CD1 4.18Å; F188-F243 HydrophobicContact CB-CB 4.45Å; F188-F243 HydrophobicContact CD1-CD2 4.17Å; F188-F243 PolarHBondContact N-O 2.83Å; F188-F243 PolarHBondContact O-N 2.98Å; F188-V251 HydrophobicContact CD2-CG1 4.16Å; F188-V251 HydrophobicContact CE2-CG1 4.15Å; F188-V251 HydrophobicContact CG-CG1 4.42Å; F188-V251 HydrophobicContact CZ-CG1 4.38Å; F188-L256 HydrophobicContact CE1-CD1 4.26Å; F188-L256 HydrophobicContact CE1-CD2 4.04Å; F188-L256 HydrophobicContact CE1-CG 4.32Å; F188-L256 HydrophobicContact CZ-CD1 4.03Å; F188-L279 HydrophobicContact CD1-CD1 4.49Å; F188-L279 HydrophobicContact CE1-CD1 3.52Å; F188-L279 HydrophobicContact CE2-CD1 4.35Å; F188-L279 HydrophobicContact CZ-CD1 3.43Å; F188-L279 VanDerWaalsContact CZ-CD1 3.43Å; F188-L279 HydrophobicContact CZ-CD2 4.21Å; F188-L279 HydrophobicContact CZ-CG 4.5Å; F188-L284 HydrophobicContact CD2-CD1 3.98Å; F188-L284 HydrophobicContact CE2-CD1 3.6Å
189I95.8Very high94.8Very high13 Ų1348.9 Ų48.97%0.06725%0.246CC..EExtended strand (participates in β ladder)trans-116.6130.4-171.4-59.6-177.6000109.9L179 E180 Q182 T240 F241L179-I189 WeakPolarHBondContact CA-O 3.08Å; E180-I189 HydrophobicContact CB-CB 4.3Å; E180-I189 PolarHBondContact N-O 3.2Å; E180-I189 PolarHBondContact O-N 3.24Å; Q182-I189 HydrophobicContact CG-CD1 3.77Å; Q182-I189 VanDerWaalsContact NE2-CD1 3.33Å; I189-T240 HydrophobicContact CG2-CG2 3.49Å; I189-T240 VanDerWaalsContact CG2-CG2 3.49Å; I189-F241 WeakPolarHBondContact CA-O 3.17Å
190V97.6Very high94.5Very high0 Ų051.5 Ų51.50%026%0.263CS..EExtended strand (participates in β ladder)trans-120.8116.2175.2-173.70000107.9L179 F188 I192 L214 F241 F243 L256 F258L179-V190 HydrophobicContact CD2-CB 4.26Å; L179-V190 HydrophobicContact CD2-CG1 3.94Å; L179-V190 HydrophobicContact CD2-CG2 3.91Å; F188-V190 HydrophobicContact CD1-CG2 4.37Å; F188-V190 HydrophobicContact CE1-CG2 3.81Å; F188-V190 HydrophobicContact CZ-CG2 3.94Å; V190-I192 HydrophobicContact CG1-CG1 4.4Å; V190-L214 HydrophobicContact CB-CD2 3.94Å; V190-L214 HydrophobicContact CG1-CD2 3.74Å; V190-L214 HydrophobicContact CG2-CD2 4.26Å; V190-F241 PolarHBondContact N-O 2.81Å; V190-F241 PolarHBondContact O-N 2.85Å; V190-F243 HydrophobicContact CB-CE2 4.35Å; V190-F243 HydrophobicContact CG2-CD2 4.21Å; V190-F243 HydrophobicContact CG2-CE2 3.79Å; V190-L256 HydrophobicContact CG1-CD1 4.21Å; V190-L256 HydrophobicContact CG2-CD1 3.82Å; V190-L256 HydrophobicContact CG2-CD2 3.88Å; V190-F258 HydrophobicContact CG1-CE1 4.03Å; V190-F258 HydrophobicContact CG1-CZ 3.96Å
191H98.1Very high94Very high30 Ų3051.8 Ų51.814%0.13927%0.267CS..EExtended strand (participates in β ladder)trans-108.5108.9176.5175.1-115.4000109.5F177 S178 D238 E239 T240F177-H191 CarbonylContact C-O 3.37Å; F177-H191 WeakPolarHBondContact CA-O 3.36Å; F177-H191 VanDerWaalsContact CB-O 3.27Å; F177-H191 WeakPolarHBondContact CB-O 3.46Å; S178-H191 PolarHBondContact N-O 3.27Å; S178-H191 PolarHBondContact O-N 2.94Å; H191-D238 IonicContact CE1-OD1 3.91Å; H191-D238 IonicContact NE2-OD1 2.76Å; H191-E239 CarbonylContact C-O 3.56Å; H191-E239 WeakPolarHBondContact CA-O 3.39Å; H191-E239 PolarHBondContact CD2-O 2.96Å; H191-T240 PolarHBondContact CD2-OG1 3.39Å
192I98.3Very high93.3Very high0 Ų053.8 Ų53.80%028%0.28CS..EExtended strand (participates in β ladder)trans-85.3112.4177.4-56.7-172.2000107.2L175 V190 I212 L214 T226 F237 D238 E239 F241 F258L175-I192 HydrophobicContact CD1-CG2 4.28Å; V190-I192 HydrophobicContact CG1-CG1 4.4Å; I192-I212 HydrophobicContact CD1-CB 4.44Å; I192-I212 HydrophobicContact CD1-CG2 4.09Å; I192-I212 HydrophobicContact CG2-CD1 4Å; I192-L214 HydrophobicContact CD1-CB 4.38Å; I192-L214 HydrophobicContact CD1-CD2 4.43Å; I192-T226 HydrophobicContact CD1-CG2 3.94Å; I192-T226 HydrophobicContact CG2-CG2 4.35Å; I192-F237 HydrophobicContact CG2-CB 4.11Å; I192-F237 HydrophobicContact CG2-CD2 3.79Å; I192-F237 HydrophobicContact CG2-CG 4.17Å; I192-D238 WeakPolarHBondContact O-CA 3.39Å; I192-D238 PolarHBondContact O-N 3.08Å; I192-E239 PolarHBondContact N-O 2.96Å; I192-E239 PolarHBondContact O-N 3.18Å; I192-F241 HydrophobicContact CD1-CD2 4.21Å; I192-F241 HydrophobicContact CD1-CE2 3.8Å; I192-F241 HydrophobicContact CG1-CD2 4.3Å; I192-F241 HydrophobicContact CG1-CE2 4.11Å; I192-F258 HydrophobicContact CD1-CD1 4Å; I192-F258 HydrophobicContact CD1-CE1 3.86Å; I192-F258 HydrophobicContact CG1-CE1 4.03Å
193K97.8Very high92.7Very high62 Ų6259.1 Ų59.127%0.2730%0.304SS..EExtended strand (participates in β ladder)trans-83.4-75-178-66.3-179.9163.8-158.60110.1H176 A236 F237 D238 L290H176-K193 WeakPolarHBondContact O-CB 3.36Å; H176-K193 PolarHBondContact O-N 2.94Å; K193-A236 CarbonylContact O-C 3.2Å; K193-F237 WeakPolarHBondContact O-CA 3.36Å; K193-F237 PolarHBondContact O-N 3.11Å; K193-D238 PolarHBondContact O-N 3.5Å; K193-L290 HydrophobicContact CD-CD2 4.45Å; K193-L290 VanDerWaalsContact NZ-CD2 3.29Å
194E98Very high92.3Very high69 Ų6964.5 Ų64.532%0.32232%0.317SS..EExtended strand (participates in β ladder)trans-154.6161.3-168.364.3-154.3144.700110.7H176 H196 P235 A236H176-E194 HydrophobicContact CB-CG 4.04Å; H176-E194 PolarHBondContact N-O 2.91Å; H176-E194 PolarHBondContact O-N 2.75Å; E194-H196 IonicContact OE2-CE1 3.92Å; E194-H196 IonicContact OE2-NE2 3.83Å; E194-P235 CarbonylContact C-O 3.56Å; E194-P235 WeakPolarHBondContact CA-O 3.27Å; E194-P235 WeakPolarHBondContact CB-O 3.46Å; E194-A236 HydrophobicContact CB-CB 4.48Å
195A98Very high92Very high0 Ų057.4 Ų57.40%029%0.289CS..EExtended strand (participates in β ladder)trans-124.3153.8163.200000109.5T174 L175 L198 D234 P235 F237 I295T174-A195 CarbonylContact O-C 3.5Å; T174-A195 WeakPolarHBondContact O-CA 3.36Å; T174-A195 WeakPolarHBondContact O-CB 3.43Å; L175-A195 HydrophobicContact CD1-CB 4.2Å; A195-L198 HydrophobicContact CB-CD2 4.07Å; A195-L198 HydrophobicContact CB-CG 4.38Å; A195-D234 CarbonylContact O-C 3.56Å; A195-D234 VanDerWaalsContact O-CA 3.24Å; A195-D234 WeakPolarHBondContact O-CA 3.38Å; A195-P235 HydrophobicContact CB-CG 4.03Å; A195-P235 PolarHBondContact N-O 2.79Å; A195-P235 VanDerWaalsContact O-CD 3.28Å; A195-P235 WeakPolarHBondContact O-CD 3.33Å; A195-F237 HydrophobicContact CB-CE2 4.37Å; A195-I295 HydrophobicContact CB-CD1 4.38Å
196H96.9Very high92.1Very high74 Ų7455.8 Ų55.834%0.34329%0.291SS..EExtended strand (participates in β ladder)trans-126.5144.7-178.7-73.7-55.6000112.5G173 T174 H176 E194 L198 D234G173-H196 CarbonylContact C-O 3.34Å; G173-H196 WeakPolarHBondContact CA-O 3.22Å; T174-H196 PolarHBondContact N-O 2.83Å; T174-H196 PolarHBondContact O-N 2.85Å; H176-H196 AromaticContact CD2-CD2 3.73Å; H176-H196 AromaticContact NE2-CD2 3.71Å; E194-H196 IonicContact OE2-CE1 3.92Å; E194-H196 IonicContact OE2-NE2 3.83Å; H196-L198 PolarHBondContact O-N 2.72Å; H196-D234 WeakPolarHBondContact CA-OD1 3.44Å; H196-D234 IonicContact CG-OD1 3.78Å; H196-D234 IonicContact ND1-OD1 3.53Å; H196-D234 PolarHBondContact ND1-OD1 2.74Å
197G94.6Very high92.2Very high43 Ų4350.8 Ų50.844%0.44327%0.272SS..SBendtrans59.938.7172.900000114.5G173 L233 D234G173-G197 WeakPolarHBondContact CA-O 3.46Å; G173-G197 PolarHBondContact N-O 2.86Å; G197-L233 PolarHBondContact N-O 2.85Å; G197-D234 PolarHBondContact N-OD1 2.77Å
198L96Very high92.3Very high4 Ų450.9 Ų50.92%0.02127%0.272CS..PPolyproline II helixtrans-61.6149.3174.3-61.6-177.6000111.2A195 H196 P210 L233 P235 V260 I272 I295A195-L198 HydrophobicContact CB-CD2 4.07Å; A195-L198 HydrophobicContact CB-CG 4.38Å; H196-L198 PolarHBondContact O-N 2.72Å; L198-P210 HydrophobicContact CD1-CB 3.62Å; L198-P210 HydrophobicContact CD1-CG 4.05Å; L198-L233 HydrophobicContact CB-CB 4.36Å; L198-L233 HydrophobicContact CB-CD2 4.45Å; L198-L233 WeakPolarHBondContact CB-O 3.4Å; L198-L233 WeakPolarHBondContact CG-O 3.44Å; L198-L233 PolarHBondContact N-O 3.17Å; L198-L233 WeakPolarHBondContact O-CD2 3.18Å; L198-P235 HydrophobicContact CD1-CG 3.68Å; L198-V260 HydrophobicContact CD1-CG1 4.24Å; L198-V260 HydrophobicContact CD2-CG1 4.14Å; L198-I272 HydrophobicContact CB-CD1 4.48Å; L198-I272 HydrophobicContact CD1-CD1 4.19Å; L198-I272 HydrophobicContact CD2-CG2 4.43Å; L198-I295 HydrophobicContact CD2-CD1 3.3Å
199T91.8Very high92.4Very high56 Ų5651.6 Ų51.634%0.34428%0.276SS..PPolyproline II helixtrans-71133.3172.9-47.20000110.5L172 S208L172-T199 VanDerWaalsContact CD2-OG1 3.24Å; L172-T199 WeakPolarHBondContact CD2-OG1 3.12Å; T199-S208 PolarHBondContact O-OG 3.35Å
200P91.2Very high92.5Very high56 Ų5651 Ų5136%0.36427%0.273SS..PPolyproline II helixtrans-66.2138.4172.928.6-34.8000111L233P200-L233 HydrophobicContact CB-CD1 4.35Å; P200-L233 HydrophobicContact CB-CD2 4.13Å
201T86.4Confident92.5Very high37 Ų3751.3 Ų51.323%0.22727%0.274CS..  trans-102.8-29.5177.752.50000112.3T207 S208 S262 E270 I272T201-T207 PolarHBondContact N-O 2.89Å; T201-S208 PolarHBondContact N-OG 3.32Å; T201-S208 PolarHBondContact OG1-OG 3Å; T201-S262 WeakPolarHBondContact OG1-CB 3.26Å; T201-S262 PolarHBondContact OG1-OG 2.87Å; T201-E270 VanDerWaalsContact CB-OE2 3.29Å; T201-E270 WeakPolarHBondContact CB-OE2 3.34Å; T201-E270 HydrophobicContact CG2-CB 4.06Å; T201-E270 WeakPolarHBondContact CG2-OE2 3.28Å; T201-I272 HydrophobicContact CG2-CD1 4.38Å; T201-I272 HydrophobicContact CG2-CG1 3.85Å
202D81.6Confident92.5Very high67 Ų6749.9 Ų49.936%0.35827%0.268SS..BIsolated β-bridgetrans-94.6110.3176.7172.715.8000110.1Q204 S205 L206 T207D202-Q204 PolarHBondContact O-N 2.72Å; D202-Q204 WeakPolarHBondContact OD1-CB 3.2Å; D202-Q204 PolarHBondContact OD1-N 2.76Å; D202-S205 VanDerWaalsContact CG-OG 3.27Å; D202-S205 PolarHBondContact OD1-N 3.35Å; D202-S205 WeakPolarHBondContact OD2-CB 3.48Å; D202-S205 PolarHBondContact OD2-N 2.79Å; D202-S205 PolarHBondContact OD2-OG 2.83Å; D202-L206 VanDerWaalsContact O-CA 3.29Å; D202-L206 WeakPolarHBondContact O-CA 3.38Å; D202-L206 PolarHBondContact O-N 3.5Å; D202-T207 PolarHBondContact N-O 3.01Å; D202-T207 VanDerWaalsContact N-O 3.14Å
203E80.1Confident92.5Very high178 Ų17851.8 Ų51.883%0.83228%0.276SS*.THydrogen-bonded Turntrans-59.8-27.6176.9-62.5-176.6167.300113.1
204Q81.6Confident92.4Very high186 Ų18648.9 Ų48.987%0.86926%0.263SS*.THydrogen-bonded Turntrans-82.7-40.3-176-60-173.4-0.400112.6D202D202-Q204 PolarHBondContact O-N 2.72Å; D202-Q204 WeakPolarHBondContact OD1-CB 3.2Å; D202-Q204 PolarHBondContact OD1-N 2.76Å
205S83.4Confident92.2Very high42 Ų4246.5 Ų46.529%0.29425%0.253SS..THydrogen-bonded Turntrans-93-14.9177.669.10000114D202 T207D202-S205 VanDerWaalsContact CG-OG 3.27Å; D202-S205 PolarHBondContact OD1-N 3.35Å; D202-S205 WeakPolarHBondContact OD2-CB 3.48Å; D202-S205 PolarHBondContact OD2-N 2.79Å; D202-S205 PolarHBondContact OD2-OG 2.83Å; S205-T207 PolarHBondContact O-N 3.32Å; S205-T207 PolarHBondContact OG-N 3.13Å; S205-T207 PolarHBondContact OG-OG1 3.2Å
206L89.9Confident91.8Very high120 Ų12046.7 Ų46.763%0.62825%0.254SS*.THydrogen-bonded Turntrans52.635.2-168.9-58.3175.7000112.3D202D202-L206 VanDerWaalsContact O-CA 3.29Å; D202-L206 WeakPolarHBondContact O-CA 3.38Å; D202-L206 PolarHBondContact O-N 3.5Å
207T92.3Very high91.3Very high29 Ų2945 Ų4518%0.17825%0.248CC..BIsolated β-bridgetrans-133.8179.217767.40000111.7T201 D202 S205 K231T201-T207 PolarHBondContact N-O 2.89Å; D202-T207 PolarHBondContact N-O 3.01Å; D202-T207 VanDerWaalsContact N-O 3.14Å; S205-T207 PolarHBondContact O-N 3.32Å; S205-T207 PolarHBondContact OG-N 3.13Å; S205-T207 PolarHBondContact OG-OG1 3.2Å; T207-K231 HydrophobicContact CG2-CB 4.35Å; T207-K231 WeakPolarHBondContact OG1-CA 3.21Å
208S94.4Very high90.2Very high3 Ų347.7 Ų47.72%0.02126%0.257CS..  trans-132.7161.7171.2-68.90000109.9T199 T201 P210 K231 T232 S262T199-S208 PolarHBondContact O-OG 3.35Å; T201-S208 PolarHBondContact N-OG 3.32Å; T201-S208 PolarHBondContact OG1-OG 3Å; S208-P210 WeakPolarHBondContact O-CD 3.49Å; S208-K231 CarbonylContact O-C 3.55Å; S208-K231 VanDerWaalsContact O-CA 3.23Å; S208-K231 WeakPolarHBondContact O-CA 3.48Å; S208-K231 PolarHBondContact O-N 3.15Å; S208-T232 PolarHBondContact O-N 2.95Å; S208-S262 WeakPolarHBondContact CA-OG 3.19Å; S208-S262 WeakPolarHBondContact CB-OG 3.43Å
209D96.9Very high88.9Confident15 Ų1551.7 Ų51.78%0.0828%0.276CS..  trans-105.869.5168-82.43.4000108.9V228 L229 R230 K231 S262 F263D209-V228 HydrophobicContact CB-CG1 3.97Å; D209-L229 CarbonylContact C-O 3.52Å; D209-L229 WeakPolarHBondContact CA-O 3.35Å; D209-R230 WeakPolarHBondContact OD1-CA 3.49Å; D209-R230 WeakPolarHBondContact OD1-CB 3.5Å; D209-R230 IonicContact OD1-NE 2.74Å; D209-R230 IonicContact OD2-CZ 3.15Å; D209-R230 IonicContact OD2-NE 3.27Å; D209-R230 PolarHBondContact OD2-NE 2.82Å; D209-R230 IonicContact OD2-NH2 3.44Å; D209-R230 PolarHBondContact OD2-NH2 3.31Å; D209-K231 PolarHBondContact OD1-N 2.81Å; D209-S262 PolarHBondContact N-OG 2.81Å; D209-F263 HydrophobicContact CB-CB 4.11Å; D209-F263 WeakPolarHBondContact O-CB 3.37Å; D209-F263 PolarHBondContact O-N 3.09Å
210P97.7Very high87.6Confident0 Ų056.9 Ų56.90%029%0.294CS..EExtended strand (participates in β ladder)trans-69.8146-166.329.2-39.7000115.3L198 S208 L229 T232 P235 F237 L261L198-P210 HydrophobicContact CD1-CB 3.62Å; L198-P210 HydrophobicContact CD1-CG 4.05Å; S208-P210 WeakPolarHBondContact O-CD 3.49Å; P210-L229 WeakPolarHBondContact CD-O 3.47Å; P210-L229 VanDerWaalsContact N-O 3.12Å; P210-L229 PolarHBondContact O-N 2.82Å; P210-T232 VanDerWaalsContact CD-O 3.27Å; P210-T232 WeakPolarHBondContact CD-O 3.46Å; P210-T232 HydrophobicContact CG-CG2 3.79Å; P210-T232 WeakPolarHBondContact CG-O 3.35Å; P210-P235 HydrophobicContact CB-CB 4.41Å; P210-P235 HydrophobicContact CB-CG 4.04Å; P210-P235 HydrophobicContact CG-CB 3.66Å; P210-P235 HydrophobicContact CG-CG 3.65Å; P210-F237 HydrophobicContact CB-CZ 4.45Å; P210-L261 CarbonylContact C-O 3.52Å; P210-L261 VanDerWaalsContact CA-O 3.25Å; P210-L261 WeakPolarHBondContact CA-O 3.49Å
211Y98.4Very high86.4Confident7 Ų763 Ų633%0.02731%0.314CS..EExtended strand (participates in β ladder)trans-151.1160.8164.980.2-85.7000111.7K213 K225 R227 V228 L261 F263 D269Y211-K213 HydrophobicContact CD2-CG 4.47Å; Y211-K213 HydrophobicContact CE2-CD 4.34Å; Y211-K213 HydrophobicContact CE2-CG 3.73Å; Y211-K213 WeakPolarHBondContact OH-CE 3.45Å; Y211-K213 PolarHBondContact OH-NZ 3.19Å; Y211-K225 HydrophobicContact CE2-CD 3.94Å; Y211-R227 WeakPolarHBondContact CB-O 3.43Å; Y211-V228 HydrophobicContact CD1-CG2 3.95Å; Y211-V228 HydrophobicContact CG-CG2 4.1Å; Y211-L261 HydrophobicContact CD1-CB 4.26Å; Y211-L261 HydrophobicContact CE1-CB 3.9Å; Y211-L261 HydrophobicContact CE2-CD1 4.24Å; Y211-L261 PolarHBondContact N-O 2.79Å; Y211-L261 PolarHBondContact O-N 2.89Å; Y211-F263 HydrophobicContact CD1-CB 4.11Å; Y211-F263 HydrophobicContact CE1-CB 4.2Å; Y211-D269 HydrophobicContact CE1-CB 4.31Å; Y211-D269 WeakPolarHBondContact CE1-OD2 3.44Å; Y211-D269 PolarHBondContact OH-OD2 2.76Å
212I98.2Very high86Confident0 Ų064.6 Ų64.60%032%0.319CS..EExtended strand (participates in β ladder)trans-116.4127.7-176.8-58.9-175.4000110.6L175 I192 K225 T226 F237 F258 M259 V260L175-I212 HydrophobicContact CD1-CD1 3.39Å; L175-I212 HydrophobicContact CD2-CD1 4.24Å; L175-I212 HydrophobicContact CG-CD1 4.47Å; I192-I212 HydrophobicContact CD1-CB 4.44Å; I192-I212 HydrophobicContact CD1-CG2 4.09Å; I192-I212 HydrophobicContact CG2-CD1 4Å; I212-K225 CarbonylContact O-C 3.05Å; I212-K225 VanDerWaalsContact O-CA 3.27Å; I212-K225 WeakPolarHBondContact O-CA 3.49Å; I212-T226 HydrophobicContact CB-CG2 4.04Å; I212-T226 PolarHBondContact N-OG1 2.96Å; I212-T226 PolarHBondContact O-N 2.88Å; I212-F237 HydrophobicContact CD1-CD2 4.06Å; I212-F237 HydrophobicContact CD1-CE2 3.49Å; I212-F237 VanDerWaalsContact CD1-CE2 3.49Å; I212-F237 HydrophobicContact CD1-CZ 3.97Å; I212-F237 HydrophobicContact CG1-CE1 4.49Å; I212-F237 HydrophobicContact CG1-CE2 3.89Å; I212-F237 HydrophobicContact CG1-CZ 3.81Å; I212-F258 HydrophobicContact CG2-CB 4.1Å; I212-F258 HydrophobicContact CG2-CD1 4.04Å; I212-M259 WeakPolarHBondContact CA-O 3.2Å; I212-V260 HydrophobicContact CD1-CG2 4.24Å; I212-V260 HydrophobicContact CG1-CG1 4.4Å; I212-V260 HydrophobicContact CG1-CG2 4.18Å
213K96.6Very high86.3Confident40 Ų4069.3 Ų69.317%0.17433%0.332CS..EExtended strand (participates in β ladder)trans-90.3116163.4-62.4172.2-177.7143.90107.6Y211 K225 M259 L261 D269Y211-K213 HydrophobicContact CD2-CG 4.47Å; Y211-K213 HydrophobicContact CE2-CD 4.34Å; Y211-K213 HydrophobicContact CE2-CG 3.73Å; Y211-K213 WeakPolarHBondContact OH-CE 3.45Å; Y211-K213 PolarHBondContact OH-NZ 3.19Å; K213-K225 HydrophobicContact CG-CD 4.38Å; K213-K225 HydrophobicContact CG-CG 4.11Å; K213-M259 HydrophobicContact CB-CB 4.3Å; K213-M259 HydrophobicContact CD-SD 4.34Å; K213-M259 PolarHBondContact N-O 3.07Å; K213-M259 PolarHBondContact O-N 3.22Å; K213-L261 HydrophobicContact CB-CD1 4.34Å; K213-L261 HydrophobicContact CD-CD1 3.56Å; K213-L261 HydrophobicContact CG-CD1 3.71Å; K213-D269 IonicContact NZ-OD2 3.45Å
214L96.4Very high87Confident1 Ų161.7 Ų61.71%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-101127.4173.9170.762.5000109.6V190 I192 R223 V224 F241 F243 L256 H257 F258V190-L214 HydrophobicContact CB-CD2 3.94Å; V190-L214 HydrophobicContact CG1-CD2 3.74Å; V190-L214 HydrophobicContact CG2-CD2 4.26Å; I192-L214 HydrophobicContact CD1-CB 4.38Å; I192-L214 HydrophobicContact CD1-CD2 4.43Å; L214-R223 WeakPolarHBondContact O-CA 3.23Å; L214-V224 HydrophobicContact CB-CG2 3.82Å; L214-V224 HydrophobicContact CD2-CG2 3.99Å; L214-V224 HydrophobicContact CG-CG2 4.12Å; L214-V224 PolarHBondContact N-O 2.84Å; L214-V224 PolarHBondContact O-N 2.9Å; L214-F241 HydrophobicContact CD2-CD2 4.17Å; L214-F243 HydrophobicContact CD2-CE2 4.07Å; L214-F243 HydrophobicContact CD2-CZ 3.97Å; L214-F243 HydrophobicContact CG-CZ 4.41Å; L214-L256 HydrophobicContact CD1-CB 4.1Å; L214-L256 HydrophobicContact CD1-CD2 3.64Å; L214-L256 HydrophobicContact CD1-CG 4.4Å; L214-L256 HydrophobicContact CD2-CD2 4.48Å; L214-L256 HydrophobicContact CG-CD2 4.44Å; L214-H257 WeakPolarHBondContact CA-O 3.44Å; L214-F258 HydrophobicContact CB-CD1 4.38Å; L214-F258 HydrophobicContact CD1-CD1 3.66Å; L214-F258 HydrophobicContact CD1-CE1 3.53Å; L214-F258 HydrophobicContact CD1-CE2 4.41Å; L214-F258 HydrophobicContact CD1-CG 4.19Å; L214-F258 HydrophobicContact CD1-CZ 3.94Å; L214-F258 HydrophobicContact CD2-CE1 4.24Å; L214-F258 HydrophobicContact CG-CD1 4.47Å; L214-F258 HydrophobicContact CG-CE1 4.31Å
215T92.9Very high87.7Confident18 Ų1858 Ų5811%0.1128%0.279CS..EExtended strand (participates in β ladder)trans-125.7134.5175.5-49.60000109.9L217 H222 H257T215-L217 HydrophobicContact CG2-CD2 4.12Å; T215-H222 WeakPolarHBondContact CA-O 3.43Å; T215-H257 PolarHBondContact N-O 2.84Å; T215-H257 PolarHBondContact O-N 3.34Å
216L90.3Very high88.4Confident4 Ų456.5 Ų56.52%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-91.4129.4171.2-168.462.7000109.1F188 E219 H222 F243 I246 L254 L256 L279F188-L216 HydrophobicContact CE1-CD1 4.18Å; L216-E219 CarbonylContact O-C 3.44Å; L216-E219 VanDerWaalsContact O-C 3.31Å; L216-E219 VanDerWaalsContact O-O 3.09Å; L216-H222 HydrophobicContact CB-CB 3.97Å; L216-H222 HydrophobicContact CD2-CB 4.48Å; L216-H222 PolarHBondContact N-O 3.18Å; L216-F243 HydrophobicContact CD2-CB 4.48Å; L216-F243 HydrophobicContact CD2-CD1 4.24Å; L216-F243 HydrophobicContact CD2-CG 4.24Å; L216-I246 HydrophobicContact CD2-CD1 3.42Å; L216-I246 VanDerWaalsContact CD2-CD1 3.42Å; L216-L254 HydrophobicContact CD1-CB 4.03Å; L216-L254 HydrophobicContact CD1-CD1 4.11Å; L216-L254 HydrophobicContact CD2-CD1 4.02Å; L216-L254 HydrophobicContact CG-CD1 4.16Å; L216-L256 HydrophobicContact CD1-CD2 3.68Å; L216-L256 HydrophobicContact CD1-CG 4.39Å; L216-L279 HydrophobicContact CD1-CD1 4.47Å
217L86.1Confident88.8Confident40 Ų4057.2 Ų57.221%0.20926%0.262CS..EExtended strand (participates in β ladder)trans-110.7147.8-176.7-61.9179.9000110.4T215 K220 L254 A255 H257 L276T215-L217 HydrophobicContact CG2-CD2 4.12Å; L217-K220 HydrophobicContact CD2-CG 4.06Å; L217-L254 VanDerWaalsContact O-CA 3.29Å; L217-L254 WeakPolarHBondContact O-CA 3.4Å; L217-L254 WeakPolarHBondContact O-CB 3.36Å; L217-L254 VanDerWaalsContact O-CD2 3.24Å; L217-L254 WeakPolarHBondContact O-CD2 3.17Å; L217-A255 HydrophobicContact CB-CB 4.34Å; L217-A255 PolarHBondContact N-O 2.98Å; L217-A255 PolarHBondContact O-N 2.92Å; L217-A255 VanDerWaalsContact O-N 3.09Å; L217-H257 HydrophobicContact CD1-CB 3.9Å; L217-H257 HydrophobicContact CG-CB 4.25Å; L217-L276 HydrophobicContact CD1-CD1 3.87Å
218P72.1Confident89Confident99 Ų9958.4 Ų58.464%0.64327%0.269SS*.SBendcis-81.9-13.56.733-35.6000114.4K220P218-K220 PolarHBondContact O-N 2.89Å
219E68.9Low89.2Confident87 Ų8759.8 Ų59.841%0.40728%0.276SS..  trans-75.378.7-174.9-65.5-165.7-146.700113.4L216 K221 H222L216-E219 CarbonylContact O-C 3.44Å; L216-E219 VanDerWaalsContact O-C 3.31Å; L216-E219 VanDerWaalsContact O-O 3.09Å; E219-K221 PolarHBondContact O-N 2.91Å; E219-H222 PolarHBondContact O-N 2.91Å; E219-H222 VanDerWaalsContact O-N 3.07Å
220K63.7Low89.1Confident166 Ų16667.1 Ų67.172%0.72230%0.303SS*.THydrogen-bonded Turntrans-53.70.1178.5-65.4-179.4-179.5176.20116.7L217 P218L217-K220 HydrophobicContact CD2-CG 4.06Å; P218-K220 PolarHBondContact O-N 2.89Å
221K67.7Low89Confident183 Ų18373.9 Ų73.980%0.79633%0.332SS*.THydrogen-bonded Turntrans-69.5-36.1170.3-63178.8179.8175.30111.7E219 R223E219-K221 PolarHBondContact O-N 2.91Å; K221-R223 PolarHBondContact O-N 2.85Å; K221-R223 VanDerWaalsContact O-N 3.11Å
222H77.3Confident88.9Confident71 Ų7175.2 Ų75.233%0.32934%0.341SS..  trans-85.984.4-177.7-66.5-64.9000110.6T215 L216 E219 F243T215-H222 WeakPolarHBondContact CA-O 3.43Å; L216-H222 HydrophobicContact CB-CB 3.97Å; L216-H222 HydrophobicContact CD2-CB 4.48Å; L216-H222 PolarHBondContact N-O 3.18Å; E219-H222 PolarHBondContact O-N 2.91Å; E219-H222 VanDerWaalsContact O-N 3.07Å; H222-F243 HydrophobicContact CB-CD1 4.11Å; H222-F243 HydrophobicContact CB-CE1 4.07Å
223R88.4Confident88.8Confident167 Ų16777.3 Ų77.363%0.6335%0.352SS*.EExtended strand (participates in β ladder)trans-125.4125.6177.8-175.4178.866.3-178-0.6111.3L214 K221L214-R223 WeakPolarHBondContact O-CA 3.23Å; K221-R223 PolarHBondContact O-N 2.85Å; K221-R223 VanDerWaalsContact O-N 3.11Å
224V94.1Very high88.9Confident18 Ų1879.5 Ų79.511%0.10937%0.365CS..EExtended strand (participates in β ladder)trans-125.8168.6177.2-61.50000110.1L58 L214 F241 F243L58-V224 HydrophobicContact CD1-CG1 4.11Å; L214-V224 HydrophobicContact CB-CG2 3.82Å; L214-V224 HydrophobicContact CD2-CG2 3.99Å; L214-V224 HydrophobicContact CG-CG2 4.12Å; L214-V224 PolarHBondContact N-O 2.84Å; L214-V224 PolarHBondContact O-N 2.9Å; V224-F241 HydrophobicContact CB-CD1 3.65Å; V224-F241 HydrophobicContact CB-CE1 3.87Å; V224-F241 HydrophobicContact CB-CG 4.31Å; V224-F241 HydrophobicContact CG1-CD1 4.1Å; V224-F241 HydrophobicContact CG2-CB 4.09Å; V224-F241 HydrophobicContact CG2-CD1 3.43Å; V224-F241 VanDerWaalsContact CG2-CD1 3.43Å; V224-F241 HydrophobicContact CG2-CD2 4.09Å; V224-F241 HydrophobicContact CG2-CE1 3.84Å; V224-F241 HydrophobicContact CG2-CE2 4.45Å; V224-F241 HydrophobicContact CG2-CG 3.57Å; V224-F241 HydrophobicContact CG2-CZ 4.34Å; V224-F243 HydrophobicContact CG1-CE1 4.44Å; V224-F243 HydrophobicContact CG2-CZ 4.08Å
225K96.1Very high88.9Confident108 Ų10879.5 Ų79.547%0.4737%0.366SS..EExtended strand (participates in β ladder)trans-138.1146.9178.4-60-173.2176.6-174.20110Y211 I212 K213 F241Y211-K225 HydrophobicContact CE2-CD 3.94Å; I212-K225 CarbonylContact O-C 3.05Å; I212-K225 VanDerWaalsContact O-CA 3.27Å; I212-K225 WeakPolarHBondContact O-CA 3.49Å; K213-K225 HydrophobicContact CG-CD 4.38Å; K213-K225 HydrophobicContact CG-CG 4.11Å; K225-F241 WeakPolarHBondContact O-CZ 3.45Å
226T98.3Very high89.2Confident10 Ų1080.8 Ų80.86%0.06138%0.378CS..PPolyproline II helixtrans-7416916367.20000111.2I192 I212 F237 E239 F241I192-T226 HydrophobicContact CD1-CG2 3.94Å; I192-T226 HydrophobicContact CG2-CG2 4.35Å; I212-T226 HydrophobicContact CB-CG2 4.04Å; I212-T226 PolarHBondContact N-OG1 2.96Å; I212-T226 PolarHBondContact O-N 2.88Å; T226-F237 HydrophobicContact CG2-CB 4.31Å; T226-F237 HydrophobicContact CG2-CD1 4.01Å; T226-F237 HydrophobicContact CG2-CG 4.15Å; T226-E239 VanDerWaalsContact CA-OE2 3.28Å; T226-E239 WeakPolarHBondContact CA-OE2 3.24Å; T226-E239 WeakPolarHBondContact CB-OE1 3.49Å; T226-F241 HydrophobicContact CG2-CE2 4.13Å; T226-F241 HydrophobicContact CG2-CZ 4.14Å
227R97.3Very high89.5Confident136 Ų13680.6 Ų80.651%0.51338%0.377SS..PPolyproline II helixtrans-62.2157.6160.174-149.8168.9129.4-0.2111.2Y211 L229 A236 F237 E239Y211-R227 WeakPolarHBondContact CB-O 3.43Å; R227-L229 HydrophobicContact CG-CD2 4.04Å; R227-L229 HydrophobicContact CG-CG 4.33Å; R227-A236 PolarHBondContact NH2-O 2.85Å; R227-F237 PolarHBondContact NE-O 3.34Å; R227-F237 PolarHBondContact NH2-O 2.9Å; R227-E239 WeakPolarHBondContact CB-OE1 3.46Å; R227-E239 VanDerWaalsContact CD-OE1 3.23Å; R227-E239 WeakPolarHBondContact CD-OE1 3.45Å; R227-E239 WeakPolarHBondContact CG-OE1 3.37Å; R227-E239 PolarHBondContact N-OE1 3.28Å; R227-E239 PolarHBondContact N-OE2 3.08Å; R227-E239 IonicContact NE-OE1 2.71Å
228V98Very high90.1Very high54 Ų5483.8 Ų83.833%0.32740%0.395SS..PPolyproline II helixtrans-81.3125.3168179.10000108.5D209 Y211 F263D209-V228 HydrophobicContact CB-CG1 3.97Å; Y211-V228 HydrophobicContact CD1-CG2 3.95Å; Y211-V228 HydrophobicContact CG-CG2 4.1Å; V228-F263 HydrophobicContact CB-CB 4.47Å; V228-F263 HydrophobicContact CG1-CB 3.66Å; V228-F263 HydrophobicContact CG1-CD1 4.13Å; V228-F263 HydrophobicContact CG1-CG 4.08Å; V228-F263 HydrophobicContact CG2-CB 3.9Å; V228-F263 HydrophobicContact CG2-CD2 4.38Å; V228-F263 HydrophobicContact CG2-CG 4.06Å
229L97.5Very high91.3Very high31 Ų3180.2 Ų80.216%0.16237%0.369CS..PPolyproline II helixtrans-100.9141168.2-63.7177.4000108.2D209 P210 R227 T232 P235 A236 F237D209-L229 CarbonylContact C-O 3.52Å; D209-L229 WeakPolarHBondContact CA-O 3.35Å; P210-L229 WeakPolarHBondContact CD-O 3.47Å; P210-L229 VanDerWaalsContact N-O 3.12Å; P210-L229 PolarHBondContact O-N 2.82Å; R227-L229 HydrophobicContact CG-CD2 4.04Å; R227-L229 HydrophobicContact CG-CG 4.33Å; L229-T232 HydrophobicContact CB-CG2 4.02Å; L229-P235 HydrophobicContact CB-CB 4.32Å; L229-P235 HydrophobicContact CD1-CB 3.69Å; L229-A236 VanDerWaalsContact CD1-O 3.25Å; L229-A236 WeakPolarHBondContact CD1-O 3.35Å; L229-F237 HydrophobicContact CD1-CD1 3.86Å; L229-F237 HydrophobicContact CD1-CE1 4.1Å; L229-F237 HydrophobicContact CD1-CG 4.44Å; L229-F237 HydrophobicContact CG-CD1 4.37Å; L229-F237 HydrophobicContact CG-CE1 4.44Å
230R96Very high92.7Very high169 Ų16977.9 Ų77.964%0.63836%0.361SS*.  trans-104.5141.1-168.6-55.6-155.372.8-179.62.9112.3D209 T232D209-R230 WeakPolarHBondContact OD1-CA 3.49Å; D209-R230 WeakPolarHBondContact OD1-CB 3.5Å; D209-R230 IonicContact OD1-NE 2.74Å; D209-R230 IonicContact OD2-CZ 3.15Å; D209-R230 IonicContact OD2-NE 3.27Å; D209-R230 PolarHBondContact OD2-NE 2.82Å; D209-R230 IonicContact OD2-NH2 3.44Å; D209-R230 PolarHBondContact OD2-NH2 3.31Å; R230-T232 PolarHBondContact O-N 2.95Å
231K94.8Very high94.2Very high142 Ų14270.2 Ų70.262%0.61733%0.328SS*.SBendtrans48.252.8173.8-58-169172.9-160.80113.4T207 S208 D209T207-K231 HydrophobicContact CG2-CB 4.35Å; T207-K231 WeakPolarHBondContact OG1-CA 3.21Å; S208-K231 CarbonylContact O-C 3.55Å; S208-K231 VanDerWaalsContact O-CA 3.23Å; S208-K231 WeakPolarHBondContact O-CA 3.48Å; S208-K231 PolarHBondContact O-N 3.15Å; D209-K231 PolarHBondContact OD1-N 2.81Å
232T96.7Very high95.5Very high36 Ų3662.1 Ų62.122%0.22129%0.294CS..  trans-142.5142.6179.1-176.30000111.7S208 P210 L229 R230 D234 P235S208-T232 PolarHBondContact O-N 2.95Å; P210-T232 VanDerWaalsContact CD-O 3.27Å; P210-T232 WeakPolarHBondContact CD-O 3.46Å; P210-T232 HydrophobicContact CG-CG2 3.79Å; P210-T232 WeakPolarHBondContact CG-O 3.35Å; L229-T232 HydrophobicContact CB-CG2 4.02Å; R230-T232 PolarHBondContact O-N 2.95Å; T232-D234 VanDerWaalsContact OG1-C 3.3Å; T232-D234 PolarHBondContact OG1-N 2.92Å; T232-D234 PolarHBondContact OG1-O 3.12Å; T232-P235 HydrophobicContact CG2-CB 3.95Å
233L96.7Very high96.3Very high44 Ų4459.2 Ų59.223%0.2328%0.281CS..SBendtrans-102.2-5.5169.2-55.2-178000111.8G197 L198 P200 P235G197-L233 PolarHBondContact N-O 2.85Å; L198-L233 HydrophobicContact CB-CB 4.36Å; L198-L233 HydrophobicContact CB-CD2 4.45Å; L198-L233 WeakPolarHBondContact CB-O 3.4Å; L198-L233 WeakPolarHBondContact CG-O 3.44Å; L198-L233 PolarHBondContact N-O 3.17Å; L198-L233 WeakPolarHBondContact O-CD2 3.18Å; P200-L233 HydrophobicContact CB-CD1 4.35Å; P200-L233 HydrophobicContact CB-CD2 4.13Å; L233-P235 WeakPolarHBondContact O-CD 3.28Å
234D97.3Very high96.4Very high85 Ų8555.3 Ų55.346%0.45527%0.266SS..SBendtrans-126.167.4178.2-63.1-81000110.2A195 H196 G197 T232 A236A195-D234 CarbonylContact O-C 3.56Å; A195-D234 VanDerWaalsContact O-CA 3.24Å; A195-D234 WeakPolarHBondContact O-CA 3.38Å; H196-D234 WeakPolarHBondContact CA-OD1 3.44Å; H196-D234 IonicContact CG-OD1 3.78Å; H196-D234 IonicContact ND1-OD1 3.53Å; H196-D234 PolarHBondContact ND1-OD1 2.74Å; G197-D234 PolarHBondContact N-OD1 2.77Å; T232-D234 VanDerWaalsContact OG1-C 3.3Å; T232-D234 PolarHBondContact OG1-N 2.92Å; T232-D234 PolarHBondContact OG1-O 3.12Å; D234-A236 PolarHBondContact O-N 2.71Å
235P97.6Very high96.1Very high1 Ų157 Ų571%0.00629%0.287CS..  trans-74.1119.1-177.127.5-35.4000113.6E194 A195 L198 P210 L229 T232 L233 F237E194-P235 CarbonylContact C-O 3.56Å; E194-P235 WeakPolarHBondContact CA-O 3.27Å; E194-P235 WeakPolarHBondContact CB-O 3.46Å; A195-P235 HydrophobicContact CB-CG 4.03Å; A195-P235 PolarHBondContact N-O 2.79Å; A195-P235 VanDerWaalsContact O-CD 3.28Å; A195-P235 WeakPolarHBondContact O-CD 3.33Å; L198-P235 HydrophobicContact CD1-CG 3.68Å; P210-P235 HydrophobicContact CB-CB 4.41Å; P210-P235 HydrophobicContact CB-CG 4.04Å; P210-P235 HydrophobicContact CG-CB 3.66Å; P210-P235 HydrophobicContact CG-CG 3.65Å; L229-P235 HydrophobicContact CB-CB 4.32Å; L229-P235 HydrophobicContact CD1-CB 3.69Å; T232-P235 HydrophobicContact CG2-CB 3.95Å; L233-P235 WeakPolarHBondContact O-CD 3.28Å; P235-F237 HydrophobicContact CB-CD2 4.4Å; P235-F237 HydrophobicContact CB-CE1 3.93Å; P235-F237 HydrophobicContact CB-CE2 3.78Å; P235-F237 HydrophobicContact CB-CZ 3.52Å; P235-F237 HydrophobicContact CG-CE1 4.4Å; P235-F237 HydrophobicContact CG-CE2 3.59Å; P235-F237 HydrophobicContact CG-CZ 3.51Å; P235-F237 PolarHBondContact O-N 3.1Å
236A98.1Very high95.8Very high45 Ų4552.5 Ų52.537%0.37227%0.268SS..EExtended strand (participates in β ladder)trans-87.494.916500000111.1K193 E194 R227 L229 D234K193-A236 CarbonylContact O-C 3.2Å; E194-A236 HydrophobicContact CB-CB 4.48Å; R227-A236 PolarHBondContact NH2-O 2.85Å; L229-A236 VanDerWaalsContact CD1-O 3.25Å; L229-A236 WeakPolarHBondContact CD1-O 3.35Å; D234-A236 PolarHBondContact O-N 2.71Å
237F97.8Very high95.4Very high0 Ų054.6 Ų54.60%028%0.281CS..EExtended strand (participates in β ladder)trans-70.4-54.8179.9-61-70.9000112I192 K193 A195 P210 I212 T226 R227 L229 P235I192-F237 HydrophobicContact CG2-CB 4.11Å; I192-F237 HydrophobicContact CG2-CD2 3.79Å; I192-F237 HydrophobicContact CG2-CG 4.17Å; K193-F237 WeakPolarHBondContact O-CA 3.36Å; K193-F237 PolarHBondContact O-N 3.11Å; A195-F237 HydrophobicContact CB-CE2 4.37Å; P210-F237 HydrophobicContact CB-CZ 4.45Å; I212-F237 HydrophobicContact CD1-CD2 4.06Å; I212-F237 HydrophobicContact CD1-CE2 3.49Å; I212-F237 VanDerWaalsContact CD1-CE2 3.49Å; I212-F237 HydrophobicContact CD1-CZ 3.97Å; I212-F237 HydrophobicContact CG1-CE1 4.49Å; I212-F237 HydrophobicContact CG1-CE2 3.89Å; I212-F237 HydrophobicContact CG1-CZ 3.81Å; T226-F237 HydrophobicContact CG2-CB 4.31Å; T226-F237 HydrophobicContact CG2-CD1 4.01Å; T226-F237 HydrophobicContact CG2-CG 4.15Å; R227-F237 PolarHBondContact NE-O 3.34Å; R227-F237 PolarHBondContact NH2-O 2.9Å; L229-F237 HydrophobicContact CD1-CD1 3.86Å; L229-F237 HydrophobicContact CD1-CE1 4.1Å; L229-F237 HydrophobicContact CD1-CG 4.44Å; L229-F237 HydrophobicContact CG-CD1 4.37Å; L229-F237 HydrophobicContact CG-CE1 4.44Å; P235-F237 HydrophobicContact CB-CD2 4.4Å; P235-F237 HydrophobicContact CB-CE1 3.93Å; P235-F237 HydrophobicContact CB-CE2 3.78Å; P235-F237 HydrophobicContact CB-CZ 3.52Å; P235-F237 HydrophobicContact CG-CE1 4.4Å; P235-F237 HydrophobicContact CG-CE2 3.59Å; P235-F237 HydrophobicContact CG-CZ 3.51Å; P235-F237 PolarHBondContact O-N 3.1Å
238D97.5Very high95.1Very high108 Ų10851.6 Ų51.658%0.57828%0.275SS*.EExtended strand (participates in β ladder)trans49.151.6-172.4-78.5-32.6000114H191 I192 K193H191-D238 IonicContact CE1-OD1 3.91Å; H191-D238 IonicContact NE2-OD1 2.76Å; I192-D238 WeakPolarHBondContact O-CA 3.39Å; I192-D238 PolarHBondContact O-N 3.08Å; K193-D238 PolarHBondContact O-N 3.5Å
239E97.8Very high94.6Very high23 Ų2352.6 Ų52.611%0.10729%0.289CS..EExtended strand (participates in β ladder)trans-115.9132.4-176.4-74.7-177-122.800113.1H191 I192 T226 R227 F241H191-E239 CarbonylContact C-O 3.56Å; H191-E239 WeakPolarHBondContact CA-O 3.39Å; H191-E239 PolarHBondContact CD2-O 2.96Å; I192-E239 PolarHBondContact N-O 2.96Å; I192-E239 PolarHBondContact O-N 3.18Å; T226-E239 VanDerWaalsContact CA-OE2 3.28Å; T226-E239 WeakPolarHBondContact CA-OE2 3.24Å; T226-E239 WeakPolarHBondContact CB-OE1 3.49Å; R227-E239 WeakPolarHBondContact CB-OE1 3.46Å; R227-E239 VanDerWaalsContact CD-OE1 3.23Å; R227-E239 WeakPolarHBondContact CD-OE1 3.45Å; R227-E239 WeakPolarHBondContact CG-OE1 3.37Å; R227-E239 PolarHBondContact N-OE1 3.28Å; R227-E239 PolarHBondContact N-OE2 3.08Å; R227-E239 IonicContact NE-OE1 2.71Å; E239-F241 HydrophobicContact CB-CE2 3.96Å; E239-F241 HydrophobicContact CB-CZ 3.98Å
240T97.4Very high94.2Very high39 Ų3956.2 Ų56.224%0.23930%0.301CS..EExtended strand (participates in β ladder)trans-108.5122.5-179.4-52.60000111.4I189 H191I189-T240 HydrophobicContact CG2-CG2 3.49Å; I189-T240 VanDerWaalsContact CG2-CG2 3.49Å; H191-T240 PolarHBondContact CD2-OG1 3.39Å
241F96.4Very high93.9Very high5 Ų548.4 Ų48.42%0.02227%0.272CS..EExtended strand (participates in β ladder)trans-109.7132.1174.3-56.1-75.7000110.3I189 V190 I192 L214 V224 K225 T226 E239 F243I189-F241 WeakPolarHBondContact CA-O 3.17Å; V190-F241 PolarHBondContact N-O 2.81Å; V190-F241 PolarHBondContact O-N 2.85Å; I192-F241 HydrophobicContact CD1-CD2 4.21Å; I192-F241 HydrophobicContact CD1-CE2 3.8Å; I192-F241 HydrophobicContact CG1-CD2 4.3Å; I192-F241 HydrophobicContact CG1-CE2 4.11Å; L214-F241 HydrophobicContact CD2-CD2 4.17Å; V224-F241 HydrophobicContact CB-CD1 3.65Å; V224-F241 HydrophobicContact CB-CE1 3.87Å; V224-F241 HydrophobicContact CB-CG 4.31Å; V224-F241 HydrophobicContact CG1-CD1 4.1Å; V224-F241 HydrophobicContact CG2-CB 4.09Å; V224-F241 HydrophobicContact CG2-CD1 3.43Å; V224-F241 VanDerWaalsContact CG2-CD1 3.43Å; V224-F241 HydrophobicContact CG2-CD2 4.09Å; V224-F241 HydrophobicContact CG2-CE1 3.84Å; V224-F241 HydrophobicContact CG2-CE2 4.45Å; V224-F241 HydrophobicContact CG2-CG 3.57Å; V224-F241 HydrophobicContact CG2-CZ 4.34Å; K225-F241 WeakPolarHBondContact O-CZ 3.45Å; T226-F241 HydrophobicContact CG2-CE2 4.13Å; T226-F241 HydrophobicContact CG2-CZ 4.14Å; E239-F241 HydrophobicContact CB-CE2 3.96Å; E239-F241 HydrophobicContact CB-CZ 3.98Å; F241-F243 HydrophobicContact CB-CE2 4.13Å; F241-F243 HydrophobicContact CB-CZ 4.34Å
242S95Very high93.6Very high12 Ų1244.8 Ų44.88%0.08426%0.264CS..EExtended strand (participates in β ladder)trans-119.1118.2180-55.10000111.1
243F93Very high93.2Very high11 Ų1149.7 Ų49.75%0.04829%0.285CS..EExtended strand (participates in β ladder)trans-10099.6178.4-57.9-83.7000109.6A187 F188 V190 L214 L216 H222 V224 F241 I246A187-F243 WeakPolarHBondContact CA-O 3.25Å; F188-F243 HydrophobicContact CB-CB 4.45Å; F188-F243 HydrophobicContact CD1-CD2 4.17Å; F188-F243 PolarHBondContact N-O 2.83Å; F188-F243 PolarHBondContact O-N 2.98Å; V190-F243 HydrophobicContact CB-CE2 4.35Å; V190-F243 HydrophobicContact CG2-CD2 4.21Å; V190-F243 HydrophobicContact CG2-CE2 3.79Å; L214-F243 HydrophobicContact CD2-CE2 4.07Å; L214-F243 HydrophobicContact CD2-CZ 3.97Å; L214-F243 HydrophobicContact CG-CZ 4.41Å; L216-F243 HydrophobicContact CD2-CB 4.48Å; L216-F243 HydrophobicContact CD2-CD1 4.24Å; L216-F243 HydrophobicContact CD2-CG 4.24Å; H222-F243 HydrophobicContact CB-CD1 4.11Å; H222-F243 HydrophobicContact CB-CE1 4.07Å; V224-F243 HydrophobicContact CG1-CE1 4.44Å; V224-F243 HydrophobicContact CG2-CZ 4.08Å; F241-F243 HydrophobicContact CB-CE2 4.13Å; F241-F243 HydrophobicContact CB-CZ 4.34Å; F243-I246 HydrophobicContact CB-CD1 3.73Å
244Y91.4Very high92.9Very high85 Ų8548.6 Ų48.633%0.33328%0.279SS..EExtended strand (participates in β ladder)trans-81.9150.9-178.1-63.1-86.5000112.5R185 A187R185-Y244 HydrophobicContact CB-CE1 4.46Å; A187-Y244 HydrophobicContact CB-CD1 3.69Å; A187-Y244 HydrophobicContact CB-CE1 3.8Å; A187-Y244 HydrophobicContact CB-CG 4.42Å
245G87.8Confident92.7Very high52 Ų5245.3 Ų45.354%0.53626%0.264SS..THydrogen-bonded Turntrans867.5173.900000114.8K186 P247K186-G245 PolarHBondContact O-N 2.72Å; G245-P247 WeakPolarHBondContact O-CD 3.46Å
246I88.4Confident92.6Very high15 Ų1545.2 Ų45.28%0.07726%0.263CS..  trans-95.9113.9176.2-54.9-179.6000108Y181 K186 L216 F243 V251 L254Y181-I246 VanDerWaalsContact CE2-O 3.24Å; Y181-I246 WeakPolarHBondContact CE2-O 3.47Å; Y181-I246 PolarHBondContact OH-O 2.98Å; K186-I246 PolarHBondContact O-N 2.66Å; L216-I246 HydrophobicContact CD2-CD1 3.42Å; L216-I246 VanDerWaalsContact CD2-CD1 3.42Å; F243-I246 HydrophobicContact CB-CD1 3.73Å; I246-V251 HydrophobicContact CG2-CG2 3.8Å; I246-L254 HydrophobicContact CD1-CD1 4.19Å; I246-L254 HydrophobicContact CG2-CD1 3.93Å
247P90.5Very high92.4Very high53 Ų5344.4 Ų44.434%0.34425%0.252SS..  trans-67.5144.4171.8-16.130.8000111.2Y181 G245 A249 R250 V251Y181-P247 WeakPolarHBondContact OH-CA 3.48Å; G245-P247 WeakPolarHBondContact O-CD 3.46Å; P247-A249 VanDerWaalsContact C-N 3.27Å; P247-A249 PolarHBondContact O-N 2.91Å; P247-R250 PolarHBondContact O-N 3Å; P247-V251 PolarHBondContact O-N 2.84Å
248L90.4Very high92.3Very high73 Ų7344.4 Ų44.438%0.38225%0.252SS..Hα-helixtrans-49.5-45.2-179-179.258.9000112.9Y181 R250 V251 L284Y181-L248 HydrophobicContact CD1-CB 4.03Å; Y181-L248 HydrophobicContact CD1-CD1 3.8Å; Y181-L248 HydrophobicContact CD1-CD2 4.48Å; Y181-L248 HydrophobicContact CD1-CG 4.31Å; Y181-L248 HydrophobicContact CD2-CD1 4.24Å; Y181-L248 HydrophobicContact CE1-CB 3.63Å; Y181-L248 HydrophobicContact CE1-CD1 4.3Å; Y181-L248 HydrophobicContact CE1-CG 4.41Å; Y181-L248 HydrophobicContact CE2-CB 4.47Å; Y181-L248 HydrophobicContact CG-CD1 3.77Å; Y181-L248 PolarHBondContact OH-N 3.49Å; Y181-L248 VanDerWaalsContact OH-N 3.08Å; L248-R250 VanDerWaalsContact C-N 3.3Å; L248-R250 PolarHBondContact O-N 2.81Å; L248-V251 VanDerWaalsContact O-CB 3.29Å; L248-V251 WeakPolarHBondContact O-CB 3.37Å; L248-V251 WeakPolarHBondContact O-CG2 3.32Å; L248-V251 PolarHBondContact O-N 3.09Å; L248-L284 HydrophobicContact CD1-CB 4.31Å
249A89.4Confident92.3Very high75 Ų7540.4 Ų40.462%0.6223%0.23SC*.Hα-helixtrans-54.2-43.6178.300000112.9P247 V251 S252P247-A249 VanDerWaalsContact C-N 3.27Å; P247-A249 PolarHBondContact O-N 2.91Å; A249-V251 VanDerWaalsContact C-N 3.27Å; A249-V251 PolarHBondContact O-N 2.86Å; A249-S252 PolarHBondContact O-N 2.82Å; A249-S252 PolarHBondContact O-OG 3.34Å
250R88.6Confident92.2Very high108 Ų10839.3 Ų39.341%0.40823%0.225SC..Hα-helixtrans-71.4-17.3178.2-70-158.1-68.8156.60.9113.3P247 L248 S252 E253 L254P247-R250 PolarHBondContact O-N 3Å; L248-R250 VanDerWaalsContact C-N 3.3Å; L248-R250 PolarHBondContact O-N 2.81Å; R250-S252 PolarHBondContact O-N 3.45Å; R250-E253 WeakPolarHBondContact O-CB 3.47Å; R250-E253 PolarHBondContact O-N 2.96Å; R250-E253 VanDerWaalsContact O-N 3.15Å; R250-L254 WeakPolarHBondContact O-CG 3.36Å
251V89.9Confident92.2Very high5 Ų537.7 Ų37.73%0.0321%0.214CC..Hα-helixtrans-61.3-36.5178.5-176.50000110.7Y181 F188 I246 P247 L248 A249 E253 L254 L279 L284Y181-V251 HydrophobicContact CD2-CG2 3.95Å; Y181-V251 HydrophobicContact CE2-CG2 3.94Å; F188-V251 HydrophobicContact CD2-CG1 4.16Å; F188-V251 HydrophobicContact CE2-CG1 4.15Å; F188-V251 HydrophobicContact CG-CG1 4.42Å; F188-V251 HydrophobicContact CZ-CG1 4.38Å; I246-V251 HydrophobicContact CG2-CG2 3.8Å; P247-V251 PolarHBondContact O-N 2.84Å; L248-V251 VanDerWaalsContact O-CB 3.29Å; L248-V251 WeakPolarHBondContact O-CB 3.37Å; L248-V251 WeakPolarHBondContact O-CG2 3.32Å; L248-V251 PolarHBondContact O-N 3.09Å; A249-V251 VanDerWaalsContact C-N 3.27Å; A249-V251 PolarHBondContact O-N 2.86Å; V251-E253 PolarHBondContact O-N 2.86Å; V251-L254 PolarHBondContact O-N 2.62Å; V251-L254 VanDerWaalsContact O-N 3.13Å; V251-L279 HydrophobicContact CG1-CB 4.29Å; V251-L279 HydrophobicContact CG1-CD1 3.68Å; V251-L279 VanDerWaalsContact O-CB 3.24Å; V251-L279 WeakPolarHBondContact O-CB 3.2Å; V251-L284 HydrophobicContact CG1-CD1 3.79Å
252S88.5Confident92.1Very high66 Ų6637.8 Ų37.846%0.46222%0.216SC..THydrogen-bonded Turntrans-62.9-20.5178.170.10000114.8A249 R250 S280A249-S252 PolarHBondContact O-N 2.82Å; A249-S252 PolarHBondContact O-OG 3.34Å; R250-S252 PolarHBondContact O-N 3.45Å; S252-S280 WeakPolarHBondContact O-CA 3.37Å; S252-S280 WeakPolarHBondContact O-CB 3.19Å; S252-S280 PolarHBondContact O-N 3.17Å
253E88.6Confident92Very high138 Ų13841 Ų4165%0.64523%0.228SC*.THydrogen-bonded Turntrans-87-8.8179.4-58.7168.2-164.900112.8R250 V251R250-E253 WeakPolarHBondContact O-CB 3.47Å; R250-E253 PolarHBondContact O-N 2.96Å; R250-E253 VanDerWaalsContact O-N 3.15Å; V251-E253 PolarHBondContact O-N 2.86Å
254L90.2Very high91.6Very high21 Ų2143.3 Ų43.311%0.1124%0.241CC..  trans-100.8165.1-171-57.6173.7000112.2L216 L217 I246 R250 V251 L279L216-L254 HydrophobicContact CD1-CB 4.03Å; L216-L254 HydrophobicContact CD1-CD1 4.11Å; L216-L254 HydrophobicContact CD2-CD1 4.02Å; L216-L254 HydrophobicContact CG-CD1 4.16Å; L217-L254 VanDerWaalsContact O-CA 3.29Å; L217-L254 WeakPolarHBondContact O-CA 3.4Å; L217-L254 WeakPolarHBondContact O-CB 3.36Å; L217-L254 VanDerWaalsContact O-CD2 3.24Å; L217-L254 WeakPolarHBondContact O-CD2 3.17Å; I246-L254 HydrophobicContact CD1-CD1 4.19Å; I246-L254 HydrophobicContact CG2-CD1 3.93Å; R250-L254 WeakPolarHBondContact O-CG 3.36Å; V251-L254 PolarHBondContact O-N 2.62Å; V251-L254 VanDerWaalsContact O-N 3.13Å; L254-L279 HydrophobicContact CB-CD1 4.12Å; L254-L279 WeakPolarHBondContact O-CB 3.41Å; L254-L279 PolarHBondContact O-N 3.07Å
255A92.4Very high91.3Very high16 Ų1648.5 Ų48.513%0.13226%0.26CS..EExtended strand (participates in β ladder)trans-135.1143.5168.400000111L217 L276 V277L217-A255 HydrophobicContact CB-CB 4.34Å; L217-A255 PolarHBondContact N-O 2.98Å; L217-A255 PolarHBondContact O-N 2.92Å; L217-A255 VanDerWaalsContact O-N 3.09Å; A255-L276 HydrophobicContact CB-CD1 4.16Å; A255-V277 CarbonylContact C-O 3.56Å; A255-V277 VanDerWaalsContact CA-O 3.32Å; A255-V277 WeakPolarHBondContact CA-O 3.26Å
256L94.9Very high90.8Very high0 Ų054.8 Ų54.80%027%0.273CS..EExtended strand (participates in β ladder)trans-89.8129.2169.2-67.6170.3000109.8L179 F188 V190 L214 L216 F258 V277 L279L179-L256 HydrophobicContact CD1-CD1 4.16Å; L179-L256 HydrophobicContact CD2-CD1 3.47Å; L179-L256 VanDerWaalsContact CD2-CD1 3.47Å; L179-L256 HydrophobicContact CG-CD1 4.48Å; F188-L256 HydrophobicContact CE1-CD1 4.26Å; F188-L256 HydrophobicContact CE1-CD2 4.04Å; F188-L256 HydrophobicContact CE1-CG 4.32Å; F188-L256 HydrophobicContact CZ-CD1 4.03Å; V190-L256 HydrophobicContact CG1-CD1 4.21Å; V190-L256 HydrophobicContact CG2-CD1 3.82Å; V190-L256 HydrophobicContact CG2-CD2 3.88Å; L214-L256 HydrophobicContact CD1-CB 4.1Å; L214-L256 HydrophobicContact CD1-CD2 3.64Å; L214-L256 HydrophobicContact CD1-CG 4.4Å; L214-L256 HydrophobicContact CD2-CD2 4.48Å; L214-L256 HydrophobicContact CG-CD2 4.44Å; L216-L256 HydrophobicContact CD1-CD2 3.68Å; L216-L256 HydrophobicContact CD1-CG 4.39Å; L256-F258 HydrophobicContact CB-CD2 4.34Å; L256-F258 HydrophobicContact CB-CE2 3.71Å; L256-F258 HydrophobicContact CB-CZ 4.14Å; L256-F258 HydrophobicContact CD1-CE2 4.17Å; L256-F258 HydrophobicContact CD1-CZ 3.95Å; L256-V277 HydrophobicContact CB-CB 4.36Å; L256-V277 PolarHBondContact N-O 3.13Å; L256-V277 PolarHBondContact O-N 2.71Å; L256-L279 HydrophobicContact CD1-CD2 4.01Å; L256-L279 HydrophobicContact CG-CD1 4.33Å; L256-L279 HydrophobicContact CG-CD2 4.15Å
257H94.3Very high90.1Very high27 Ų2757.4 Ų57.413%0.12529%0.293CS..EExtended strand (participates in β ladder)trans-112.7107.9171.2-177.7-147.6000109L214 T215 L217 E274 L276L214-H257 WeakPolarHBondContact CA-O 3.44Å; T215-H257 PolarHBondContact N-O 2.84Å; T215-H257 PolarHBondContact O-N 3.34Å; L217-H257 HydrophobicContact CD1-CB 3.9Å; L217-H257 HydrophobicContact CG-CB 4.25Å; H257-E274 IonicContact CD2-OE2 2.79Å; H257-E274 IonicContact CE1-OE2 3.23Å; H257-E274 PolarHBondContact CE1-OE2 2.76Å; H257-E274 IonicContact NE2-OE2 3.64Å; H257-E274 PolarHBondContact NE2-OE2 3.28Å; H257-L276 HydrophobicContact CB-CD1 4.14Å
258F96.9Very high89.3Confident0 Ų062.3 Ų62.30%031%0.305CS..EExtended strand (participates in β ladder)trans-93.2128.1170.6-56.1-89.3000108.3L175 F177 V190 I192 I212 L214 L256 E274 T275 V277L175-F258 HydrophobicContact CD2-CB 3.69Å; L175-F258 HydrophobicContact CD2-CD1 3.85Å; L175-F258 HydrophobicContact CD2-CD2 4.06Å; L175-F258 HydrophobicContact CD2-CE1 4.46Å; L175-F258 HydrophobicContact CD2-CG 3.61Å; F177-F258 HydrophobicContact CD1-CZ 4.43Å; F177-F258 HydrophobicContact CD2-CE2 4.17Å; F177-F258 AromaticContact CD2-CZ 3.65Å; F177-F258 HydrophobicContact CD2-CZ 3.65Å; F177-F258 HydrophobicContact CE1-CE2 4.22Å; F177-F258 HydrophobicContact CE1-CZ 4.49Å; F177-F258 AromaticContact CE2-CE2 3.75Å; F177-F258 HydrophobicContact CE2-CE2 3.75Å; F177-F258 AromaticContact CE2-CZ 3.69Å; F177-F258 HydrophobicContact CE2-CZ 3.69Å; F177-F258 HydrophobicContact CG-CZ 4.05Å; F177-F258 AromaticContact CZ-CE2 3.81Å; F177-F258 HydrophobicContact CZ-CE2 3.81Å; F177-F258 HydrophobicContact CZ-CZ 4.15Å; V190-F258 HydrophobicContact CG1-CE1 4.03Å; V190-F258 HydrophobicContact CG1-CZ 3.96Å; I192-F258 HydrophobicContact CD1-CD1 4Å; I192-F258 HydrophobicContact CD1-CE1 3.86Å; I192-F258 HydrophobicContact CG1-CE1 4.03Å; I212-F258 HydrophobicContact CG2-CB 4.1Å; I212-F258 HydrophobicContact CG2-CD1 4.04Å; L214-F258 HydrophobicContact CB-CD1 4.38Å; L214-F258 HydrophobicContact CD1-CD1 3.66Å; L214-F258 HydrophobicContact CD1-CE1 3.53Å; L214-F258 HydrophobicContact CD1-CE2 4.41Å; L214-F258 HydrophobicContact CD1-CG 4.19Å; L214-F258 HydrophobicContact CD1-CZ 3.94Å; L214-F258 HydrophobicContact CD2-CE1 4.24Å; L214-F258 HydrophobicContact CG-CD1 4.47Å; L214-F258 HydrophobicContact CG-CE1 4.31Å; L256-F258 HydrophobicContact CB-CD2 4.34Å; L256-F258 HydrophobicContact CB-CE2 3.71Å; L256-F258 HydrophobicContact CB-CZ 4.14Å; L256-F258 HydrophobicContact CD1-CE2 4.17Å; L256-F258 HydrophobicContact CD1-CZ 3.95Å; F258-E274 CarbonylContact O-C 3.52Å; F258-E274 VanDerWaalsContact O-CA 3.26Å; F258-E274 WeakPolarHBondContact O-CA 3.1Å; F258-E274 WeakPolarHBondContact O-CB 3.38Å; F258-T275 PolarHBondContact N-O 3.44Å; F258-T275 PolarHBondContact O-N 3.42Å; F258-V277 HydrophobicContact CD2-CG2 4.21Å; F258-V277 HydrophobicContact CE2-CG2 3.99Å
259M95.6Very high89Confident24 Ų2461.1 Ų61.112%0.11830%0.299CS..EExtended strand (participates in β ladder)trans-120.5118.1173.4-176.5-173.3-55.600107.8I212 K213 L261 V271 R298I212-M259 WeakPolarHBondContact CA-O 3.2Å; K213-M259 HydrophobicContact CB-CB 4.3Å; K213-M259 HydrophobicContact CD-SD 4.34Å; K213-M259 PolarHBondContact N-O 3.07Å; K213-M259 PolarHBondContact O-N 3.22Å; M259-L261 HydrophobicContact CB-CD1 4.37Å; M259-L261 HydrophobicContact CG-CD1 3.87Å; M259-L261 HydrophobicContact CG-CG 4.31Å; M259-L261 WeakPolarHBondContact O-CD1 3.38Å; M259-L261 HydrophobicContact SD-CD1 4.18Å; M259-V271 HydrophobicContact CG-CG1 4.43Å; M259-R298 VanDerWaalsContact CE-CZ 3.42Å; M259-R298 PolarHBondContact SD-NH1 2.73Å; M259-R298 VanDerWaalsContact SD-NH1 3.45Å
260V97.3Very high88.9Confident0 Ų062.3 Ų62.30%029%0.291CS..EExtended strand (participates in β ladder)trans-96.1123.6-176.7-169.60000107.9L198 I212 I272 G273 I295L198-V260 HydrophobicContact CD1-CG1 4.24Å; L198-V260 HydrophobicContact CD2-CG1 4.14Å; I212-V260 HydrophobicContact CD1-CG2 4.24Å; I212-V260 HydrophobicContact CG1-CG1 4.4Å; I212-V260 HydrophobicContact CG1-CG2 4.18Å; V260-I272 HydrophobicContact CB-CB 4.48Å; V260-I272 HydrophobicContact CG1-CB 4.32Å; V260-I272 HydrophobicContact CG1-CD1 4.29Å; V260-I272 PolarHBondContact O-N 3.27Å; V260-G273 PolarHBondContact N-O 3.18Å; V260-G273 PolarHBondContact O-N 2.66Å; V260-I295 HydrophobicContact CG2-CD1 4Å; V260-I295 HydrophobicContact CG2-CG1 4.27Å; V260-I295 HydrophobicContact CG2-CG2 4.33Å
261L95.8Very high89Confident5 Ų560.1 Ų60.13%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-129.9151.5-179.3-56.299.7000111.2P210 Y211 K213 M259 D269 E270 V271P210-L261 CarbonylContact C-O 3.52Å; P210-L261 VanDerWaalsContact CA-O 3.25Å; P210-L261 WeakPolarHBondContact CA-O 3.49Å; Y211-L261 HydrophobicContact CD1-CB 4.26Å; Y211-L261 HydrophobicContact CE1-CB 3.9Å; Y211-L261 HydrophobicContact CE2-CD1 4.24Å; Y211-L261 PolarHBondContact N-O 2.79Å; Y211-L261 PolarHBondContact O-N 2.89Å; K213-L261 HydrophobicContact CB-CD1 4.34Å; K213-L261 HydrophobicContact CD-CD1 3.56Å; K213-L261 HydrophobicContact CG-CD1 3.71Å; M259-L261 HydrophobicContact CB-CD1 4.37Å; M259-L261 HydrophobicContact CG-CD1 3.87Å; M259-L261 HydrophobicContact CG-CG 4.31Å; M259-L261 WeakPolarHBondContact O-CD1 3.38Å; M259-L261 HydrophobicContact SD-CD1 4.18Å; L261-D269 HydrophobicContact CB-CB 4.34Å; L261-D269 HydrophobicContact CD2-CB 3.93Å; L261-E270 CarbonylContact C-O 3.53Å; L261-E270 WeakPolarHBondContact CA-O 3.33Å; L261-E270 VanDerWaalsContact CB-O 3.28Å; L261-E270 WeakPolarHBondContact CB-O 3.39Å; L261-V271 HydrophobicContact CD2-CG2 3.76Å; L261-V271 HydrophobicContact CG-CG2 4.24Å
262S94.5Very high89.2Confident7 Ų760.6 Ų60.65%0.04929%0.292CS..EExtended strand (participates in β ladder)trans-93132.1163.8-165.20000109.1T201 S208 D209 D269 E270T201-S262 WeakPolarHBondContact OG1-CB 3.26Å; T201-S262 PolarHBondContact OG1-OG 2.87Å; S208-S262 WeakPolarHBondContact CA-OG 3.19Å; S208-S262 WeakPolarHBondContact CB-OG 3.43Å; D209-S262 PolarHBondContact N-OG 2.81Å; S262-D269 CarbonylContact O-C 3.54Å; S262-D269 WeakPolarHBondContact O-CA 3.42Å; S262-D269 WeakPolarHBondContact O-CB 3.48Å; S262-E270 PolarHBondContact N-O 2.95Å; S262-E270 PolarHBondContact O-N 2.99Å
263F93Very high89.4Confident80 Ų8057.4 Ų57.435%0.35127%0.27SS..  trans-81.1133178.3169.7-101000111.6D209 Y211 V228 R265 D269D209-F263 HydrophobicContact CB-CB 4.11Å; D209-F263 WeakPolarHBondContact O-CB 3.37Å; D209-F263 PolarHBondContact O-N 3.09Å; Y211-F263 HydrophobicContact CD1-CB 4.11Å; Y211-F263 HydrophobicContact CE1-CB 4.2Å; V228-F263 HydrophobicContact CB-CB 4.47Å; V228-F263 HydrophobicContact CG1-CB 3.66Å; V228-F263 HydrophobicContact CG1-CD1 4.13Å; V228-F263 HydrophobicContact CG1-CG 4.08Å; V228-F263 HydrophobicContact CG2-CB 3.9Å; V228-F263 HydrophobicContact CG2-CD2 4.38Å; V228-F263 HydrophobicContact CG2-CG 4.06Å; F263-R265 HydrophobicContact CE1-CB 4.4Å; F263-D269 WeakPolarHBondContact CA-OD1 3.36Å; F263-D269 WeakPolarHBondContact CD2-OD1 3.24Å
264D85.1Confident89.7Confident60 Ų6052 Ų5232%0.32125%0.245SC..  trans-117.4140.9170.2-165.9-37.4000110.3F266 S267 D269D264-F266 PolarHBondContact OD1-N 3.03Å; D264-S267 VanDerWaalsContact CG-N 3.34Å; D264-S267 PolarHBondContact OD1-N 2.91Å; D264-S267 VanDerWaalsContact OD2-CB 3.27Å; D264-S267 WeakPolarHBondContact OD2-CB 3.47Å; D264-S267 PolarHBondContact OD2-OG 3.19Å; D264-D269 PolarHBondContact N-OD1 2.8Å
265R84.8Confident89.9Confident193 Ų19351.3 Ų51.373%0.72824%0.241SC*.SBendtrans-82.9-29.6178.1179.3175.1-179.8179.41.8113.4F263F263-R265 HydrophobicContact CE1-CB 4.4Å
266F76.8Confident89.9Confident184 Ų18455.2 Ų55.281%0.80726%0.259SS*.SBendtrans-119.3-18.9-170-55.5-65.6000112.9D264D264-F266 PolarHBondContact OD1-N 3.03Å
267S75.8Confident89.9Confident71 Ų7155.3 Ų55.350%0.49726%0.26SS..SBendtrans-117-155.9173.796.20000112D264D264-S267 VanDerWaalsContact CG-N 3.34Å; D264-S267 PolarHBondContact OD1-N 2.91Å; D264-S267 VanDerWaalsContact OD2-CB 3.27Å; D264-S267 WeakPolarHBondContact OD2-CB 3.47Å; D264-S267 PolarHBondContact OD2-OG 3.19Å
268R72.5Confident89.8Confident156 Ų15657.5 Ų57.559%0.58928%0.277SS*.PPolyproline II helixtrans-99.4141.1177-77.6179.6-77.8167.6-3.9109.6E270 E336R268-E270 PolarHBondContact O-N 3.06Å; R268-E270 VanDerWaalsContact O-N 3.17Å; R268-E336 WeakPolarHBondContact CD-OE2 3.24Å; R268-E336 IonicContact CZ-OE2 3.6Å; R268-E336 IonicContact NE-OE2 2.93Å; R268-E336 IonicContact NH1-OE2 3.97Å; R268-E336 PolarHBondContact NH1-OE2 2.92Å
269D84.8Confident89.5Confident48 Ų4857.6 Ų57.626%0.25728%0.277SS..PPolyproline II helixtrans-51.3120.1174.6-57-25.2000111.8Y211 K213 L261 S262 F263 D264Y211-D269 HydrophobicContact CE1-CB 4.31Å; Y211-D269 WeakPolarHBondContact CE1-OD2 3.44Å; Y211-D269 PolarHBondContact OH-OD2 2.76Å; K213-D269 IonicContact NZ-OD2 3.45Å; L261-D269 HydrophobicContact CB-CB 4.34Å; L261-D269 HydrophobicContact CD2-CB 3.93Å; S262-D269 CarbonylContact O-C 3.54Å; S262-D269 WeakPolarHBondContact O-CA 3.42Å; S262-D269 WeakPolarHBondContact O-CB 3.48Å; F263-D269 WeakPolarHBondContact CA-OD1 3.36Å; F263-D269 WeakPolarHBondContact CD2-OD1 3.24Å; D264-D269 PolarHBondContact N-OD1 2.8Å
270E85.8Confident89.2Confident100 Ų10060 Ų6047%0.46730%0.297SS..EExtended strand (participates in β ladder)trans-77.3139179.4-62.4-153.3150.300111.2T201 L261 S262 R268 I272T201-E270 VanDerWaalsContact CB-OE2 3.29Å; T201-E270 WeakPolarHBondContact CB-OE2 3.34Å; T201-E270 HydrophobicContact CG2-CB 4.06Å; T201-E270 WeakPolarHBondContact CG2-OE2 3.28Å; L261-E270 CarbonylContact C-O 3.53Å; L261-E270 WeakPolarHBondContact CA-O 3.33Å; L261-E270 VanDerWaalsContact CB-O 3.28Å; L261-E270 WeakPolarHBondContact CB-O 3.39Å; S262-E270 PolarHBondContact N-O 2.95Å; S262-E270 PolarHBondContact O-N 2.99Å; R268-E270 PolarHBondContact O-N 3.06Å; R268-E270 VanDerWaalsContact O-N 3.17Å; E270-I272 PolarHBondContact O-N 2.9Å
271V92.1Very high88.6Confident61 Ų6164.2 Ų64.237%0.3734%0.339SS..EExtended strand (participates in β ladder)trans-87.5109.3176178.60000109.1M259 L261 R298M259-V271 HydrophobicContact CG-CG1 4.43Å; L261-V271 HydrophobicContact CD2-CG2 3.76Å; L261-V271 HydrophobicContact CG-CG2 4.24Å; V271-R298 HydrophobicContact CG1-CB 4.03Å
272I93.3Very high88.3Confident15 Ų1565.8 Ų65.88%0.07735%0.347CS..EExtended strand (participates in β ladder)trans-68-50.2172.2-59.3174.2000108.7L172 L198 T201 V260 E270L172-I272 WeakPolarHBondContact CD1-O 3.42Å; L198-I272 HydrophobicContact CB-CD1 4.48Å; L198-I272 HydrophobicContact CD1-CD1 4.19Å; L198-I272 HydrophobicContact CD2-CG2 4.43Å; T201-I272 HydrophobicContact CG2-CD1 4.38Å; T201-I272 HydrophobicContact CG2-CG1 3.85Å; V260-I272 HydrophobicContact CB-CB 4.48Å; V260-I272 HydrophobicContact CG1-CB 4.32Å; V260-I272 HydrophobicContact CG1-CD1 4.29Å; V260-I272 PolarHBondContact O-N 3.27Å; E270-I272 PolarHBondContact O-N 2.9Å
273G93.4Very high88Confident0 Ų070 Ų700%037%0.369CS..EExtended strand (participates in β ladder)trans-178.1-167.8177.500000114.1V260 I296V260-G273 PolarHBondContact N-O 3.18Å; V260-G273 PolarHBondContact O-N 2.66Å; G273-I296 WeakPolarHBondContact CA-O 3.24Å
274E94.4Very high87.9Confident25 Ų2566.4 Ų66.412%0.11735%0.354CS..EExtended strand (participates in β ladder)trans-141.2161.3175.378.1-167.115500112.3H257 F258 I296 R298 N299H257-E274 IonicContact CD2-OE2 2.79Å; H257-E274 IonicContact CE1-OE2 3.23Å; H257-E274 PolarHBondContact CE1-OE2 2.76Å; H257-E274 IonicContact NE2-OE2 3.64Å; H257-E274 PolarHBondContact NE2-OE2 3.28Å; F258-E274 CarbonylContact O-C 3.52Å; F258-E274 VanDerWaalsContact O-CA 3.26Å; F258-E274 WeakPolarHBondContact O-CA 3.1Å; F258-E274 WeakPolarHBondContact O-CB 3.38Å; E274-I296 HydrophobicContact CG-CG1 4.27Å; E274-I296 PolarHBondContact N-O 3.41Å; E274-I296 WeakPolarHBondContact O-CG1 3.24Å; E274-I296 PolarHBondContact O-N 3.01Å; E274-R298 HydrophobicContact CB-CB 4.5Å; E274-R298 HydrophobicContact CG-CB 4.27Å; E274-R298 HydrophobicContact CG-CG 4.31Å; E274-R298 WeakPolarHBondContact OE1-CA 3.43Å; E274-R298 WeakPolarHBondContact OE1-CG 3.41Å; E274-R298 IonicContact OE2-NE 3.72Å; E274-R298 PolarHBondContact OE2-NE 2.61Å; E274-N299 PolarHBondContact OE1-N 3.07Å; E274-N299 VanDerWaalsContact OE1-N 3.07Å
275T94.2Very high87.8Confident6 Ų667.3 Ų67.34%0.03737%0.365CS..EExtended strand (participates in β ladder)trans-137.3123.4171.7-55.10000107.7F258 V277 R293 E294F258-T275 PolarHBondContact N-O 3.44Å; F258-T275 PolarHBondContact O-N 3.42Å; T275-V277 HydrophobicContact CG2-CG2 3.84Å; T275-R293 HydrophobicContact CG2-CB 3.47Å; T275-R293 VanDerWaalsContact CG2-CB 3.47Å; T275-R293 HydrophobicContact CG2-CG 4.07Å; T275-E294 PolarHBondContact OG1-O 2.81Å; T275-E294 VanDerWaalsContact OG1-O 3.13Å
276L93.7Very high87.5Confident97 Ų9767 Ų6751%0.50837%0.372SS..EExtended strand (participates in β ladder)trans-106.5130.2174.5-176.369.4000109.3L217 A255 H257L217-L276 HydrophobicContact CD1-CD1 3.87Å; A255-L276 HydrophobicContact CB-CD1 4.16Å; H257-L276 HydrophobicContact CB-CD1 4.14Å
277V93.3Very high87.9Confident3 Ų359.6 Ų59.62%0.01835%0.347CS..EExtended strand (participates in β ladder)trans-131.595.9-174.4-171.50000108.8F177 A255 L256 F258 T275 I282 M291 R293F177-V277 HydrophobicContact CZ-CG1 4.37Å; F177-V277 HydrophobicContact CZ-CG2 3.92Å; A255-V277 CarbonylContact C-O 3.56Å; A255-V277 VanDerWaalsContact CA-O 3.32Å; A255-V277 WeakPolarHBondContact CA-O 3.26Å; L256-V277 HydrophobicContact CB-CB 4.36Å; L256-V277 PolarHBondContact N-O 3.13Å; L256-V277 PolarHBondContact O-N 2.71Å; F258-V277 HydrophobicContact CD2-CG2 4.21Å; F258-V277 HydrophobicContact CE2-CG2 3.99Å; T275-V277 HydrophobicContact CG2-CG2 3.84Å; V277-I282 HydrophobicContact CG1-CD1 4.29Å; V277-M291 HydrophobicContact CG1-CE 3.76Å; V277-M291 HydrophobicContact CG1-SD 4.41Å; V277-R293 HydrophobicContact CG2-CG 4.26Å
278P92.4Very high88.7Confident73 Ų7363.4 Ų63.447%0.47435%0.351SS..EExtended strand (participates in β ladder)trans-56.5136.6166.1-20.933.3000109.9
279L91.4Very high89.8Confident2 Ų258 Ų581%0.0134%0.335CS..  trans-93-4.1177-57.2-176.4000112.5L179 F188 L216 V251 L254 L256 G281 I282L179-L279 HydrophobicContact CD1-CD2 3.59Å; F188-L279 HydrophobicContact CD1-CD1 4.49Å; F188-L279 HydrophobicContact CE1-CD1 3.52Å; F188-L279 HydrophobicContact CE2-CD1 4.35Å; F188-L279 HydrophobicContact CZ-CD1 3.43Å; F188-L279 VanDerWaalsContact CZ-CD1 3.43Å; F188-L279 HydrophobicContact CZ-CD2 4.21Å; F188-L279 HydrophobicContact CZ-CG 4.5Å; L216-L279 HydrophobicContact CD1-CD1 4.47Å; V251-L279 HydrophobicContact CG1-CB 4.29Å; V251-L279 HydrophobicContact CG1-CD1 3.68Å; V251-L279 VanDerWaalsContact O-CB 3.24Å; V251-L279 WeakPolarHBondContact O-CB 3.2Å; L254-L279 HydrophobicContact CB-CD1 4.12Å; L254-L279 WeakPolarHBondContact O-CB 3.41Å; L254-L279 PolarHBondContact O-N 3.07Å; L256-L279 HydrophobicContact CD1-CD2 4.01Å; L256-L279 HydrophobicContact CG-CD1 4.33Å; L256-L279 HydrophobicContact CG-CD2 4.15Å; L279-G281 PolarHBondContact O-N 3.07Å; L279-I282 HydrophobicContact CD2-CD1 3.92Å; L279-I282 PolarHBondContact O-N 2.83Å
280S89.7Confident90.4Very high75 Ų7561.1 Ų61.152%0.52435%0.351SS..THydrogen-bonded Turntrans-58123.7169.6560000110.9S252 I282S252-S280 WeakPolarHBondContact O-CA 3.37Å; S252-S280 WeakPolarHBondContact O-CB 3.19Å; S252-S280 PolarHBondContact O-N 3.17Å; S280-I282 VanDerWaalsContact C-N 3.32Å
281G84.8Confident90.8Very high87 Ų8757.5 Ų57.590%0.89733%0.334SS*.THydrogen-bonded Turntrans80.24.7-179.500000115.3L279L279-G281 PolarHBondContact O-N 3.07Å
282I89.5Confident91Very high39 Ų3957.7 Ų57.720%0.234%0.338CS..  trans-89.9113.1168.2-54.1-173.6000108.2L179 V277 L279 S280 L284 V289 M291L179-I282 HydrophobicContact CD1-CD1 4.08Å; V277-I282 HydrophobicContact CG1-CD1 4.29Å; L279-I282 HydrophobicContact CD2-CD1 3.92Å; L279-I282 PolarHBondContact O-N 2.83Å; S280-I282 VanDerWaalsContact C-N 3.32Å; I282-L284 HydrophobicContact CG2-CD2 3.86Å; I282-L284 HydrophobicContact CG2-CG 4.13Å; I282-V289 HydrophobicContact CG2-CG1 4.42Å; I282-V289 HydrophobicContact CG2-CG2 4.3Å; I282-M291 HydrophobicContact CD1-CE 3.59Å; I282-M291 HydrophobicContact CD1-SD 4Å
283D88.5Confident91.2Very high94 Ų9462.7 Ų62.750%0.50336%0.356SS..  trans-75.6127.4171-162.3-14.5000110.2S285 V289D283-S285 VanDerWaalsContact OD1-CB 3.24Å; D283-S285 WeakPolarHBondContact OD1-CB 3.11Å; D283-S285 PolarHBondContact OD1-N 3Å; D283-S285 PolarHBondContact OD1-OG 3.13Å; D283-S285 PolarHBondContact OD2-OG 3.03Å; D283-V289 WeakPolarHBondContact O-CG2 3.43Å
284L90.1Very high91.3Very high5 Ų569.8 Ų69.83%0.02639%0.389CS..  trans-123.410.6177.4-60.2173.2000111.5L179 F188 L248 V251 I282 V289L179-L284 HydrophobicContact CB-CD2 3.72Å; F188-L284 HydrophobicContact CD2-CD1 3.98Å; F188-L284 HydrophobicContact CE2-CD1 3.6Å; L248-L284 HydrophobicContact CD1-CB 4.31Å; V251-L284 HydrophobicContact CG1-CD1 3.79Å; I282-L284 HydrophobicContact CG2-CD2 3.86Å; I282-L284 HydrophobicContact CG2-CG 4.13Å; L284-V289 HydrophobicContact CD2-CB 4.33Å; L284-V289 HydrophobicContact CD2-CG2 3.93Å
285S83.5Confident91.4Very high80 Ų8068.9 Ų68.956%0.55939%0.385SS*.SBendtrans-77.5-3617869.10000112.2D283 G287D283-S285 VanDerWaalsContact OD1-CB 3.24Å; D283-S285 WeakPolarHBondContact OD1-CB 3.11Å; D283-S285 PolarHBondContact OD1-N 3Å; D283-S285 PolarHBondContact OD1-OG 3.13Å; D283-S285 PolarHBondContact OD2-OG 3.03Å; S285-G287 VanDerWaalsContact C-N 3.33Å; S285-G287 PolarHBondContact O-N 2.85Å
286E77.6Confident91.2Very high186 Ų18672.9 Ų72.987%0.86941%0.405SS*.SBendtrans-84.2-2.5-178.9-56.2-167.2153.100114
287G85.6Confident90.9Very high28 Ų2876.7 Ų76.729%0.28942%0.418SS..SBendtrans126.5-130.3170.500000114.7S285S285-G287 VanDerWaalsContact C-N 3.33Å; S285-G287 PolarHBondContact O-N 2.85Å
288R93.1Very high90.2Very high151 Ų15180.9 Ų80.957%0.5743%0.433SS*.  trans-92.9115.4-171.6-177.8-179.4-65.4-171.50.5112.2L179 E180L179-R288 CarbonylContact O-C 3.49Å; L179-R288 WeakPolarHBondContact O-CA 3.2Å; E180-R288 HydrophobicContact CB-CB 4.37Å; E180-R288 HydrophobicContact CB-CG 4.48Å; E180-R288 HydrophobicContact CG-CB 4.38Å; E180-R288 IonicContact OE2-CZ 3.73Å; E180-R288 IonicContact OE2-NE 3.9Å; E180-R288 PolarHBondContact OE2-NE 3.09Å; E180-R288 IonicContact OE2-NH2 3.56Å; E180-R288 PolarHBondContact OE2-NH2 2.79Å
289V95.7Very high88.4Confident43 Ų4383.1 Ų83.126%0.26144%0.441SS..EExtended strand (participates in β ladder)trans-90129.2173.1-179.20000110.2S178 L179 I282 D283 L284 M291S178-V289 CarbonylContact C-O 3.54Å; S178-V289 WeakPolarHBondContact CA-O 3.49Å; S178-V289 VanDerWaalsContact CB-O 3.22Å; S178-V289 WeakPolarHBondContact CB-O 3.29Å; L179-V289 PolarHBondContact N-O 2.87Å; L179-V289 PolarHBondContact O-N 2.86Å; I282-V289 HydrophobicContact CG2-CG1 4.42Å; I282-V289 HydrophobicContact CG2-CG2 4.3Å; D283-V289 WeakPolarHBondContact O-CG2 3.43Å; L284-V289 HydrophobicContact CD2-CB 4.33Å; L284-V289 HydrophobicContact CD2-CG2 3.93Å; V289-M291 HydrophobicContact CG1-CG 4.11Å
290L96.2Very high86.5Confident113 Ų11387.2 Ų87.259%0.59247%0.466SS*.EExtended strand (participates in β ladder)trans-92.8135.6171.1-75.8160.3000109.9K193K193-L290 HydrophobicContact CD-CD2 4.45Å; K193-L290 VanDerWaalsContact NZ-CD2 3.29Å
291M95.3Very high84.3Confident25 Ų2592.6 Ų92.612%0.12348%0.48CS..EExtended strand (participates in β ladder)trans-134.5144.4175.3-72.6-159-74.200112.4F177 L179 V277 I282 V289F177-M291 HydrophobicContact CE1-CB 4.01Å; F177-M291 HydrophobicContact CE2-CB 4.17Å; F177-M291 HydrophobicContact CE2-CE 3.54Å; F177-M291 HydrophobicContact CZ-CB 3.8Å; F177-M291 HydrophobicContact CZ-CE 3.7Å; F177-M291 PolarHBondContact N-O 2.9Å; F177-M291 PolarHBondContact O-N 2.85Å; F177-M291 VanDerWaalsContact O-O 3.1Å; L179-M291 HydrophobicContact CD1-CE 3.36Å; L179-M291 HydrophobicContact CG-CE 3.87Å; V277-M291 HydrophobicContact CG1-CE 3.76Å; V277-M291 HydrophobicContact CG1-SD 4.41Å; I282-M291 HydrophobicContact CD1-CE 3.59Å; I282-M291 HydrophobicContact CD1-SD 4Å; V289-M291 HydrophobicContact CG1-CG 4.11Å
292S96.5Very high82.1Confident64 Ų6495.2 Ų95.245%0.44847%0.467SS..EExtended strand (participates in β ladder)trans-119.6134.8166.9179.20000107.2T174 L175 H176T174-S292 WeakPolarHBondContact CG2-OG 3.4Å; L175-S292 WeakPolarHBondContact O-CA 3.24Å; H176-S292 PolarHBondContact CE1-OG 2.88Å
293R96.1Very high79.9Confident121 Ų12196.9 Ų96.946%0.45748%0.482SS..EExtended strand (participates in β ladder)trans-142.5135.5-179.9-66.5-65.7175.7180-3.8110L175 F177 T275 V277L175-R293 PolarHBondContact N-O 2.9Å; L175-R293 PolarHBondContact O-N 3.34Å; F177-R293 HydrophobicContact CE1-CB 4.27Å; F177-R293 HydrophobicContact CE1-CG 3.85Å; F177-R293 HydrophobicContact CZ-CG 4.11Å; T275-R293 HydrophobicContact CG2-CB 3.47Å; T275-R293 VanDerWaalsContact CG2-CB 3.47Å; T275-R293 HydrophobicContact CG2-CG 4.07Å; V277-R293 HydrophobicContact CG2-CG 4.26Å
294E95.9Very high77.9Confident149 Ų14999.2 Ų99.270%0.69649%0.494SS*.EExtended strand (participates in β ladder)trans-61.8144.5172.3-63.7-179166.100110.7T275T275-E294 PolarHBondContact OG1-O 2.81Å; T275-E294 VanDerWaalsContact OG1-O 3.13Å
295I95.7Very high76.3Confident6 Ų699.6 Ų99.63%0.03150%0.499CS..  trans-87.2112171-62.4166.4000106.1L172 G173 L175 A195 L198 V260L172-I295 HydrophobicContact CB-CB 4.35Å; L172-I295 HydrophobicContact CB-CG2 4.05Å; G173-I295 WeakPolarHBondContact O-CB 3.45Å; G173-I295 PolarHBondContact O-N 2.78Å; L175-I295 HydrophobicContact CB-CD1 4.38Å; L175-I295 HydrophobicContact CB-CG1 4.14Å; A195-I295 HydrophobicContact CB-CD1 4.38Å; L198-I295 HydrophobicContact CD2-CD1 3.3Å; V260-I295 HydrophobicContact CG2-CD1 4Å; V260-I295 HydrophobicContact CG2-CG1 4.27Å; V260-I295 HydrophobicContact CG2-CG2 4.33Å
296I91.6Very high75.7Confident89 Ų8998.7 Ų98.746%0.45648%0.483SS..BIsolated β-bridgetrans-89.3150.7179.959.3164.4000110.2G273 E274 R298G273-I296 WeakPolarHBondContact CA-O 3.24Å; E274-I296 HydrophobicContact CG-CG1 4.27Å; E274-I296 PolarHBondContact N-O 3.41Å; E274-I296 WeakPolarHBondContact O-CG1 3.24Å; E274-I296 PolarHBondContact O-N 3.01Å; I296-R298 PolarHBondContact O-N 2.89Å
297K86Confident75.8Confident177 Ų17789.9 Ų89.977%0.7744%0.442SS*.  trans-58119.9171.8-166.5166.9-171.3164.10107.5L172 N299L172-K297 HydrophobicContact CD1-CB 3.72Å; L172-K297 HydrophobicContact CD1-CG 4.19Å; K297-N299 PolarHBondContact O-N 3.01Å
298R79.3Confident76Confident91 Ų9190.4 Ų90.434%0.34344%0.437SS..  trans-51113.9-176.7177163.9-166.2-160-3.7108.6M259 V271 E274 I296 V300M259-R298 VanDerWaalsContact CE-CZ 3.42Å; M259-R298 PolarHBondContact SD-NH1 2.73Å; M259-R298 VanDerWaalsContact SD-NH1 3.45Å; V271-R298 HydrophobicContact CG1-CB 4.03Å; E274-R298 HydrophobicContact CB-CB 4.5Å; E274-R298 HydrophobicContact CG-CB 4.27Å; E274-R298 HydrophobicContact CG-CG 4.31Å; E274-R298 WeakPolarHBondContact OE1-CA 3.43Å; E274-R298 WeakPolarHBondContact OE1-CG 3.41Å; E274-R298 IonicContact OE2-NE 3.72Å; E274-R298 PolarHBondContact OE2-NE 2.61Å; I296-R298 PolarHBondContact O-N 2.89Å; R298-V300 HydrophobicContact CB-CG2 4.42Å; R298-V300 HydrophobicContact CG-CG2 3.67Å; R298-V300 PolarHBondContact O-N 2.92Å
299N53.7Low75.9Confident121 Ų12183.2 Ų83.265%0.64741%0.41SS*.  trans-81.467178.5-158.5-48.6000107.6E274 K297 K301E274-N299 PolarHBondContact OE1-N 3.07Å; E274-N299 VanDerWaalsContact OE1-N 3.07Å; K297-N299 PolarHBondContact O-N 3.01Å; N299-K301 PolarHBondContact O-N 2.96Å; N299-K301 PolarHBondContact OD1-N 3.29Å; N299-K301 VanDerWaalsContact OD1-N 3.12Å
300V52.7Low75.9Confident87 Ų8782.4 Ų82.453%0.52740%0.404SS..  trans-61.389.3145.8-142.60000104.6R298 K302R298-V300 HydrophobicContact CB-CG2 4.42Å; R298-V300 HydrophobicContact CG-CG2 3.67Å; R298-V300 PolarHBondContact O-N 2.92Å; V300-K302 HydrophobicContact CG1-CG 4.48Å; V300-K302 PolarHBondContact O-N 3.45Å
301K42.3Very low75.9Confident188 Ų18877 Ų7782%0.81738%0.376SS*.  -48.288.1125.5-80.3-171.2178.1-178.60104.5N299 S303N299-K301 PolarHBondContact O-N 2.96Å; N299-K301 PolarHBondContact OD1-N 3.29Å; N299-K301 VanDerWaalsContact OD1-N 3.12Å; K301-S303 PolarHBondContact O-N 3.34Å
302K39.3Very low76Confident142 Ų14276.2 Ų76.262%0.61737%0.373SS*.  trans-43.6137.2167.3-74.3177.5176-179.70104.4V300 L304V300-K302 HydrophobicContact CG1-CG 4.48Å; V300-K302 PolarHBondContact O-N 3.45Å; K302-L304 HydrophobicContact CB-CB 4.07Å; K302-L304 HydrophobicContact CB-CD1 4.01Å; K302-L304 HydrophobicContact CB-CG 3.64Å; K302-L304 HydrophobicContact CD-CD1 4.15Å; K302-L304 HydrophobicContact CD-CD2 4.31Å; K302-L304 HydrophobicContact CD-CG 3.81Å; K302-L304 HydrophobicContact CG-CG 4.36Å; K302-L304 PolarHBondContact O-N 2.98Å
303S42.3Very low76.1Confident75 Ų7573.2 Ų73.252%0.52435%0.351SS..  trans-59.776.4140.849.80000106.3K301 G305K301-S303 PolarHBondContact O-N 3.34Å; S303-G305 CarbonylContact C-O 3.51Å; S303-G305 VanDerWaalsContact O-O 3.09Å
304L47.2Very low76Confident143 Ų14368 Ų6875%0.74933%0.334SS*.  trans-70.1-30.8171.8-106.4154.6000108.3K302K302-L304 HydrophobicContact CB-CB 4.07Å; K302-L304 HydrophobicContact CB-CD1 4.01Å; K302-L304 HydrophobicContact CB-CG 3.64Å; K302-L304 HydrophobicContact CD-CD1 4.15Å; K302-L304 HydrophobicContact CD-CD2 4.31Å; K302-L304 HydrophobicContact CD-CG 3.81Å; K302-L304 HydrophobicContact CG-CG 4.36Å; K302-L304 PolarHBondContact O-N 2.98Å
305G56.3Low76Confident12 Ų1262.2 Ų62.212%0.12431%0.306CS..SBendtrans-66.6136.2156.400000111.3S303 G307 T443 M444S303-G305 CarbonylContact C-O 3.51Å; S303-G305 VanDerWaalsContact O-O 3.09Å; G305-G307 PolarHBondContact O-N 3.34Å; G305-T443 VanDerWaalsContact CA-CG2 3.44Å; G305-M444 WeakPolarHBondContact CA-O 3.29Å
306R70.3Confident75.8Confident62 Ų6265.3 Ų65.323%0.23432%0.32CS..SBendtrans-7349172.4-83.5157.8155.8-116.114.7111.6P333 V409 I410 M444 S445 E446R306-P333 HydrophobicContact CB-CG 4.39Å; R306-P333 HydrophobicContact CG-CG 4.49Å; R306-V409 PolarHBondContact NH1-O 2.99Å; R306-I410 WeakPolarHBondContact CB-O 3.15Å; R306-I410 WeakPolarHBondContact CD-O 3.1Å; R306-I410 WeakPolarHBondContact CG-O 3.23Å; R306-I410 PolarHBondContact NH1-O 3.29Å; R306-M444 HydrophobicContact CB-CB 4.07Å; R306-M444 PolarHBondContact N-O 2.83Å; R306-S445 WeakPolarHBondContact CD-O 3.32Å; R306-E446 VanDerWaalsContact CD-CA 3.49Å; R306-E446 IonicContact CZ-OE1 3.71Å; R306-E446 IonicContact NE-OE1 2.76Å; R306-E446 PolarHBondContact NE-OE1 2.88Å; R306-E446 IonicContact NH2-OE1 2.76Å; R306-E446 PolarHBondContact NH2-OE1 3.26Å
307G80.7Confident75.6Confident1 Ų163.6 Ų63.61%0.0132%0.316CS..  trans92.2171.2-165.400000113.6G305 R330 H331 M444G305-G307 PolarHBondContact O-N 3.34Å; G307-R330 WeakPolarHBondContact CA-O 3.47Å; G307-H331 WeakPolarHBondContact CA-O 3.1Å; G307-M444 WeakPolarHBondContact O-CG 3.4Å; G307-M444 PolarHBondContact O-N 3.4Å
308E88.9Confident75.7Confident38 Ų3859.8 Ų59.818%0.17831%0.307CS..EExtended strand (participates in β ladder)trans-120.4141.6165-65.4172106.200109.6A329 R330 H331 W441 H442E308-A329 CarbonylContact O-C 3.49Å; E308-A329 WeakPolarHBondContact O-CA 3.48Å; E308-A329 WeakPolarHBondContact O-CB 3.39Å; E308-R330 HydrophobicContact CB-CG 4.14Å; E308-R330 VanDerWaalsContact CD-NH2 3.34Å; E308-R330 PolarHBondContact N-O 3.33Å; E308-R330 PolarHBondContact O-N 3.33Å; E308-R330 IonicContact OE1-CZ 3.97Å; E308-R330 IonicContact OE1-NH2 3.01Å; E308-R330 PolarHBondContact OE1-NH2 2.9Å; E308-R330 IonicContact OE2-CZ 3.25Å; E308-R330 VanDerWaalsContact OE2-CZ 3.25Å; E308-R330 IonicContact OE2-NE 2.7Å; E308-R330 PolarHBondContact OE2-NE 2.87Å; E308-R330 IonicContact OE2-NH2 2.97Å; E308-R330 PolarHBondContact OE2-NH2 2.99Å; E308-H331 IonicContact OE2-CE1 3.19Å; E308-H331 PolarHBondContact OE2-CE1 3.44Å; E308-H331 IonicContact OE2-CG 2.66Å; E308-H331 IonicContact OE2-ND1 3.36Å; E308-H331 PolarHBondContact OE2-ND1 2.98Å; E308-W441 HydrophobicContact CB-CE3 3.92Å; E308-W441 HydrophobicContact CB-CZ3 4.29Å; E308-H442 CarbonylContact C-O 3.49Å; E308-H442 WeakPolarHBondContact CA-O 3.35Å
309L92.6Very high76.2Confident1 Ų159 Ų591%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-119.4125.3-178.9-171.264.5000110.1L311 V326 A329 V345 L393 H442 M444L309-L311 HydrophobicContact CD2-CD1 4.26Å; L309-L311 HydrophobicContact CD2-CD2 3.72Å; L309-L311 HydrophobicContact CD2-CG 4.1Å; L309-L311 HydrophobicContact CG-CD2 3.77Å; L309-L311 HydrophobicContact CG-CG 4.01Å; L309-V326 HydrophobicContact CD1-CG1 4.04Å; L309-A329 HydrophobicContact CD1-CB 3.8Å; L309-V345 HydrophobicContact CD1-CG2 4.17Å; L309-V345 HydrophobicContact CD2-CG1 4.35Å; L309-V345 HydrophobicContact CD2-CG2 4.38Å; L309-L393 HydrophobicContact CD2-CB 4.27Å; L309-L393 HydrophobicContact CD2-CD2 3.9Å; L309-H442 PolarHBondContact N-O 3.48Å; L309-H442 PolarHBondContact O-N 3.49Å; L309-M444 HydrophobicContact CB-SD 3.66Å; L309-M444 HydrophobicContact CD2-CE 4.43Å; L309-M444 HydrophobicContact CD2-SD 4.1Å
310L95Very high77.9Confident25 Ų2555 Ų5513%0.13129%0.292CS..EExtended strand (participates in β ladder)trans-86.7115.4171.7-17959.4000108.5L327 K328 A439 K440 W441L310-L327 HydrophobicContact CB-CB 4.35Å; L310-L327 HydrophobicContact CD2-CB 4.16Å; L310-L327 HydrophobicContact CD2-CD1 4.04Å; L310-L327 HydrophobicContact CG-CB 4.07Å; L310-L327 HydrophobicContact CG-CD1 3.89Å; L310-L327 WeakPolarHBondContact O-CB 3.13Å; L310-L327 PolarHBondContact O-N 3.09Å; L310-L327 VanDerWaalsContact O-N 3.1Å; L310-K328 HydrophobicContact CB-CG 4.05Å; L310-K328 WeakPolarHBondContact CB-O 3.48Å; L310-K328 HydrophobicContact CD2-CD 4.44Å; L310-K328 HydrophobicContact CD2-CG 4.02Å; L310-K328 PolarHBondContact N-O 2.86Å; L310-A439 HydrophobicContact CD1-CB 4.49Å; L310-K440 WeakPolarHBondContact CD1-O 3.35Å; L310-W441 HydrophobicContact CB-CD2 3.82Å; L310-W441 HydrophobicContact CB-CE3 3.68Å; L310-W441 HydrophobicContact CB-CH2 3.82Å; L310-W441 HydrophobicContact CB-CZ2 3.95Å; L310-W441 HydrophobicContact CB-CZ3 3.67Å; L310-W441 HydrophobicContact CD1-CD2 4.14Å; L310-W441 HydrophobicContact CD1-CG 4.12Å; L310-W441 HydrophobicContact CD2-CZ2 4.1Å; L310-W441 HydrophobicContact CG-CD2 4.46Å; L310-W441 HydrophobicContact CG-CZ2 4.49Å
311L96.9Very high79.7Confident0 Ų051.8 Ų51.80%027%0.272CS..EExtended strand (participates in β ladder)trans-117.1146.9178.1-63.2179.6000110.2L309 V325 V326 L393 L413 L415 H426 A439 K440L309-L311 HydrophobicContact CD2-CD1 4.26Å; L309-L311 HydrophobicContact CD2-CD2 3.72Å; L309-L311 HydrophobicContact CD2-CG 4.1Å; L309-L311 HydrophobicContact CG-CD2 3.77Å; L309-L311 HydrophobicContact CG-CG 4.01Å; L311-V325 WeakPolarHBondContact CA-O 3.41Å; L311-V326 HydrophobicContact CD2-CB 4.28Å; L311-V326 HydrophobicContact CD2-CG1 4.21Å; L311-V326 HydrophobicContact CD2-CG2 4.03Å; L311-L393 HydrophobicContact CD1-CD1 3.72Å; L311-L393 HydrophobicContact CD1-CD2 3.64Å; L311-L393 HydrophobicContact CD1-CG 4.31Å; L311-L393 HydrophobicContact CD2-CD2 3.6Å; L311-L393 HydrophobicContact CG-CD2 4.26Å; L311-L413 HydrophobicContact CD1-CD2 3.62Å; L311-L415 HydrophobicContact CD1-CD1 3.83Å; L311-H426 PolarHBondContact O-CE1 3Å; L311-A439 CarbonylContact O-C 3.53Å; L311-A439 VanDerWaalsContact O-CA 3.26Å; L311-A439 WeakPolarHBondContact O-CA 3.46Å; L311-K440 PolarHBondContact N-O 3.37Å; L311-K440 PolarHBondContact O-N 3.39Å
312S97.4Very high82.2Confident9 Ų942.8 Ų42.86%0.06323%0.233CC..EExtended strand (participates in β ladder)trans-121.3132.3164.9-163.70000111.5V325 Q437 I438S312-V325 PolarHBondContact N-O 2.89Å; S312-V325 PolarHBondContact O-N 2.89Å; S312-Q437 WeakPolarHBondContact OG-CG 3.2Å; S312-Q437 PolarHBondContact OG-NE2 2.9Å; S312-I438 CarbonylContact C-O 3.58Å; S312-I438 WeakPolarHBondContact CA-O 3.17Å; S312-I438 VanDerWaalsContact OG-C 3.29Å; S312-I438 PolarHBondContact OG-O 3.41Å
313L96.8Very high84.9Confident0 Ų037.2 Ų37.20%021%0.211CC..EExtended strand (participates in β ladder)trans-119.1144.3-177.7-56.9174.9000109.3T323 V324 L415 H426 W427 I430 Q437 I438L313-T323 WeakPolarHBondContact CA-O 3.26Å; L313-V324 HydrophobicContact CD2-CB 4.2Å; L313-V324 HydrophobicContact CD2-CG1 3.94Å; L313-V324 HydrophobicContact CD2-CG2 3.86Å; L313-L415 HydrophobicContact CD1-CD1 4Å; L313-L415 HydrophobicContact CD1-CD2 4.37Å; L313-L415 HydrophobicContact CD2-CD1 4.22Å; L313-H426 VanDerWaalsContact CG-CE1 3.46Å; L313-H426 WeakPolarHBondContact CG-CE1 3.46Å; L313-H426 PolarHBondContact N-NE2 3.45Å; L313-W427 HydrophobicContact CD1-CE3 4.35Å; L313-I430 HydrophobicContact CB-CD1 3.88Å; L313-I430 HydrophobicContact CB-CG2 3.7Å; L313-I430 HydrophobicContact CD1-CD1 3.97Å; L313-Q437 PolarHBondContact O-NE2 3.31Å; L313-I438 PolarHBondContact N-O 2.85Å; L313-I438 PolarHBondContact O-N 3.39Å
314C95.9Very high87.5Confident13 Ų1333.6 Ų33.69%0.08819%0.186CC..EExtended strand (participates in β ladder)trans-144.1125.2167.2177.10000108.8T323 R435 Q437C314-T323 PolarHBondContact N-O 2.84Å; C314-T323 PolarHBondContact O-N 2.81Å; C314-R435 VanDerWaalsContact SG-C 3.6Å; C314-Q437 HydrophobicContact CB-CB 4.43Å
315Y94.1Very high89.9Confident27 Ų2727.8 Ų27.811%0.10616%0.156CC..EExtended strand (participates in β ladder)trans-103129.4171.9172.3-130.4000110N320 L380 L386 P434 R435Y315-N320 PolarHBondContact OH-OD1 2.89Å; Y315-N320 VanDerWaalsContact OH-OD1 3.1Å; Y315-L380 HydrophobicContact CD2-CD1 3.9Å; Y315-L380 HydrophobicContact CE2-CD1 3.42Å; Y315-L380 VanDerWaalsContact CE2-CD1 3.42Å; Y315-L386 HydrophobicContact CD1-CD1 3.59Å; Y315-L386 HydrophobicContact CD1-CG 4.08Å; Y315-L386 HydrophobicContact CD2-CD1 3.98Å; Y315-L386 HydrophobicContact CD2-CD2 4.18Å; Y315-L386 HydrophobicContact CD2-CG 3.97Å; Y315-L386 HydrophobicContact CE1-CD1 4.17Å; Y315-L386 HydrophobicContact CE1-CG 4.19Å; Y315-L386 HydrophobicContact CE2-CD2 4.48Å; Y315-L386 HydrophobicContact CE2-CG 4.13Å; Y315-L386 HydrophobicContact CG-CD1 3.48Å; Y315-L386 VanDerWaalsContact CG-CD1 3.48Å; Y315-L386 HydrophobicContact CG-CG 3.97Å; Y315-P434 CarbonylContact O-C 3.31Å; Y315-P434 WeakPolarHBondContact O-CA 3.13Å; Y315-R435 PolarHBondContact O-N 3.49Å
316Q92.3Very high91.8Very high71 Ų7127.2 Ų27.233%0.33215%0.15SC..EExtended strand (participates in β ladder)trans-115.9100.3174.8-175.8173.4100109.3T318 T319 N320 T321 R435Q316-T318 VanDerWaalsContact C-N 3.31Å; Q316-T318 WeakPolarHBondContact CG-OG1 3.38Å; Q316-T318 PolarHBondContact NE2-OG1 3.19Å; Q316-T318 PolarHBondContact O-N 3.16Å; Q316-T319 VanDerWaalsContact CD-OG1 3.22Å; Q316-T319 WeakPolarHBondContact CG-OG1 3.21Å; Q316-T319 PolarHBondContact O-N 3.41Å; Q316-T319 PolarHBondContact O-OG1 3.02Å; Q316-N320 WeakPolarHBondContact O-CA 3.33Å; Q316-N320 PolarHBondContact O-N 2.91Å; Q316-T321 PolarHBondContact N-O 3.22Å; Q316-T321 PolarHBondContact O-N 2.94Å; Q316-T321 VanDerWaalsContact O-N 3.16Å; Q316-R435 HydrophobicContact CB-CG 4.5Å; Q316-R435 HydrophobicContact CG-CG 4.05Å
317S87.6Confident92.9Very high53 Ų5326.2 Ų26.237%0.37115%0.149SC..G310 helixtrans-62.3-34.2-178.951.30000113.6T319 N320S317-T319 PolarHBondContact O-N 3.15Å; S317-N320 PolarHBondContact O-N 3.04Å; S317-N320 PolarHBondContact O-OD1 3.21Å
318T88.3Confident93.4Very high96 Ų9630.5 Ų30.559%0.58917%0.167SC*.G310 helixtrans-63.4-25.6-179.357.40000114.3Q316Q316-T318 VanDerWaalsContact C-N 3.31Å; Q316-T318 WeakPolarHBondContact CG-OG1 3.38Å; Q316-T318 PolarHBondContact NE2-OG1 3.19Å; Q316-T318 PolarHBondContact O-N 3.16Å
319T88.9Confident93.5Very high76 Ų7628.8 Ų28.847%0.46616%0.16SC..G310 helixtrans-115.5-1.2-179.945.30000111.9Q316 S317 T321Q316-T319 VanDerWaalsContact CD-OG1 3.22Å; Q316-T319 WeakPolarHBondContact CG-OG1 3.21Å; Q316-T319 PolarHBondContact O-N 3.41Å; Q316-T319 PolarHBondContact O-OG1 3.02Å; S317-T319 PolarHBondContact O-N 3.15Å; T319-T321 PolarHBondContact O-N 2.78Å; T319-T321 PolarHBondContact OG1-OG1 3.29Å
320N89.3Confident93.2Very high36 Ų3632.4 Ų32.419%0.19317%0.174CC..THydrogen-bonded Turntrans46.342.8-169.1-84.6-34.1000113.3Y315 Q316 S317 L380Y315-N320 PolarHBondContact OH-OD1 2.89Å; Y315-N320 VanDerWaalsContact OH-OD1 3.1Å; Q316-N320 WeakPolarHBondContact O-CA 3.33Å; Q316-N320 PolarHBondContact O-N 2.91Å; S317-N320 PolarHBondContact O-N 3.04Å; S317-N320 PolarHBondContact O-OD1 3.21Å; N320-L380 HydrophobicContact CB-CB 4.23Å; N320-L380 VanDerWaalsContact O-CB 3.27Å; N320-L380 WeakPolarHBondContact O-CB 3.41Å; N320-L380 WeakPolarHBondContact O-CD1 3.33Å; N320-L380 WeakPolarHBondContact O-CG 3.02Å; N320-L380 PolarHBondContact O-N 2.81Å
321T91.7Very high92.4Very high19 Ų1936.2 Ų36.212%0.11719%0.19CC..EExtended strand (participates in β ladder)trans-108.213417851.70000112.1Q316 T319 V377 F378 D379Q316-T321 PolarHBondContact N-O 3.22Å; Q316-T321 PolarHBondContact O-N 2.94Å; Q316-T321 VanDerWaalsContact O-N 3.16Å; T319-T321 PolarHBondContact O-N 2.78Å; T319-T321 PolarHBondContact OG1-OG1 3.29Å; T321-V377 HydrophobicContact CG2-CG1 4.2Å; T321-F378 CarbonylContact C-O 3.53Å; T321-F378 WeakPolarHBondContact CA-O 3.09Å; T321-D379 WeakPolarHBondContact CG2-OD1 3.42Å
322L93.9Very high91.4Very high0 Ų036.9 Ų36.90%019%0.194CC..EExtended strand (participates in β ladder)trans-106.4119.8168.9179.265000109.3V324 F378 L386 V391 W427 I430L322-V324 HydrophobicContact CD2-CG2 4.26Å; L322-V324 HydrophobicContact CG-CG2 4.11Å; L322-F378 PolarHBondContact N-O 3.11Å; L322-F378 PolarHBondContact O-N 2.71Å; L322-L386 HydrophobicContact CB-CD2 4.49Å; L322-L386 HydrophobicContact CD1-CD2 4.41Å; L322-L386 HydrophobicContact CD2-CD2 4.2Å; L322-V391 HydrophobicContact CD2-CG2 3.72Å; L322-W427 HydrophobicContact CD2-CH2 3.55Å; L322-W427 HydrophobicContact CD2-CZ3 3.87Å; L322-I430 HydrophobicContact CD1-CD1 3.86Å
323T95.9Very high90.1Very high24 Ų2438.4 Ų38.415%0.14720%0.203CC..EExtended strand (participates in β ladder)trans-99122.7174-61.10000109.8L313 C314 V325 L375L313-T323 WeakPolarHBondContact CA-O 3.26Å; C314-T323 PolarHBondContact N-O 2.84Å; C314-T323 PolarHBondContact O-N 2.81Å; T323-V325 HydrophobicContact CG2-CG2 4.16Å; T323-L375 HydrophobicContact CG2-CD1 3.79Å; T323-L375 HydrophobicContact CG2-CD2 4.32Å; T323-L375 HydrophobicContact CG2-CG 3.85Å
324V97.1Very high88.3Confident0 Ų046.2 Ų46.20%024%0.237CC..EExtended strand (participates in β ladder)trans-116.7114.3176.9-1760000108.8L313 L322 V347 F376 F378 V391L313-V324 HydrophobicContact CD2-CB 4.2Å; L313-V324 HydrophobicContact CD2-CG1 3.94Å; L313-V324 HydrophobicContact CD2-CG2 3.86Å; L322-V324 HydrophobicContact CD2-CG2 4.26Å; L322-V324 HydrophobicContact CG-CG2 4.11Å; V324-V347 HydrophobicContact CG1-CG1 4.49Å; V324-F376 PolarHBondContact N-O 2.94Å; V324-F376 PolarHBondContact O-N 3.26Å; V324-F378 HydrophobicContact CB-CE2 4.09Å; V324-F378 HydrophobicContact CG2-CD2 4.01Å; V324-F378 HydrophobicContact CG2-CE2 3.82Å; V324-V391 HydrophobicContact CG2-CG1 4.47Å; V324-V391 HydrophobicContact CG2-CG2 4.49Å
325V97.4Very high86.3Confident20 Ų2049 Ų4912%0.12125%0.254CS..EExtended strand (participates in β ladder)trans-104.8116.2175.3-168.40000109.2L311 S312 T323 L327 E374 L375L311-V325 WeakPolarHBondContact CA-O 3.41Å; S312-V325 PolarHBondContact N-O 2.89Å; S312-V325 PolarHBondContact O-N 2.89Å; T323-V325 HydrophobicContact CG2-CG2 4.16Å; V325-L327 HydrophobicContact CG1-CD2 3.7Å; V325-L327 HydrophobicContact CG1-CG 4.06Å; V325-L327 PolarHBondContact O-N 2.85Å; V325-E374 CarbonylContact C-O 3.58Å; V325-E374 WeakPolarHBondContact CA-O 3.44Å; V325-L375 HydrophobicContact CG2-CB 4.25Å; V325-L375 HydrophobicContact CG2-CD1 3.93Å; V325-L375 HydrophobicContact CG2-CG 4.09Å
326V97.1Very high84.1Confident0 Ų054.3 Ų54.30%028%0.28CS..EExtended strand (participates in β ladder)trans-86.3105171.6-173.30000107.5L309 L311 V345 V347 T361 F372 N373 E374 F376 L393L309-V326 HydrophobicContact CD1-CG1 4.04Å; L311-V326 HydrophobicContact CD2-CB 4.28Å; L311-V326 HydrophobicContact CD2-CG1 4.21Å; L311-V326 HydrophobicContact CD2-CG2 4.03Å; V326-V345 HydrophobicContact CG1-CB 4.25Å; V326-V345 HydrophobicContact CG1-CG2 4.05Å; V326-V347 HydrophobicContact CG2-CG2 3.92Å; V326-T361 HydrophobicContact CB-CG2 4.08Å; V326-T361 HydrophobicContact CG1-CG2 4.09Å; V326-T361 HydrophobicContact CG2-CG2 4.3Å; V326-F372 HydrophobicContact CB-CB 4.45Å; V326-F372 HydrophobicContact CG1-CB 4.1Å; V326-F372 HydrophobicContact CG1-CD2 3.73Å; V326-F372 HydrophobicContact CG1-CE2 4.49Å; V326-F372 HydrophobicContact CG1-CG 4.09Å; V326-F372 WeakPolarHBondContact O-CB 3.46Å; V326-N373 WeakPolarHBondContact O-CA 3.4Å; V326-N373 PolarHBondContact O-N 2.93Å; V326-E374 PolarHBondContact N-O 3.42Å; V326-E374 PolarHBondContact O-N 3.09Å; V326-F376 HydrophobicContact CB-CE2 4.48Å; V326-F376 HydrophobicContact CG2-CD2 4.09Å; V326-F376 HydrophobicContact CG2-CE2 3.78Å; V326-L393 HydrophobicContact CG2-CD2 4.12Å
327L93.7Very high81.9Confident41 Ų4157.5 Ų57.522%0.21530%0.299CS..EExtended strand (participates in β ladder)trans-86.3-68.4-172.9-68.5167.1000111L310 V325 F372 N373 A439L310-L327 HydrophobicContact CB-CB 4.35Å; L310-L327 HydrophobicContact CD2-CB 4.16Å; L310-L327 HydrophobicContact CD2-CD1 4.04Å; L310-L327 HydrophobicContact CG-CB 4.07Å; L310-L327 HydrophobicContact CG-CD1 3.89Å; L310-L327 WeakPolarHBondContact O-CB 3.13Å; L310-L327 PolarHBondContact O-N 3.09Å; L310-L327 VanDerWaalsContact O-N 3.1Å; V325-L327 HydrophobicContact CG1-CD2 3.7Å; V325-L327 HydrophobicContact CG1-CG 4.06Å; V325-L327 PolarHBondContact O-N 2.85Å; L327-F372 PolarHBondContact O-N 2.77Å; L327-N373 PolarHBondContact O-N 2.49Å; L327-N373 PolarHBondContact O-OD1 3.44Å; L327-A439 HydrophobicContact CD1-CB 4.42Å
328K91.8Very high80.1Confident91 Ų9158.4 Ų58.440%0.39630%0.3SS..EExtended strand (participates in β ladder)trans-158.1157.1-177.758.5-177.9176.4-175.40112.1L310 P370 V371 W441L310-K328 HydrophobicContact CB-CG 4.05Å; L310-K328 WeakPolarHBondContact CB-O 3.48Å; L310-K328 HydrophobicContact CD2-CD 4.44Å; L310-K328 HydrophobicContact CD2-CG 4.02Å; L310-K328 PolarHBondContact N-O 2.86Å; K328-P370 CarbonylContact C-O 3.59Å; K328-P370 WeakPolarHBondContact CA-O 3.27Å; K328-P370 WeakPolarHBondContact CB-O 3.06Å; K328-V371 HydrophobicContact CB-CB 4.42Å; K328-V371 HydrophobicContact CB-CG2 4.06Å; K328-W441 HydrophobicContact CD-CH2 4.33Å; K328-W441 HydrophobicContact CG-CH2 3.94Å; K328-W441 HydrophobicContact CG-CZ2 4.46Å
329A90.6Very high78.5Confident2 Ų256.6 Ų56.62%0.01730%0.301CS..EExtended strand (participates in β ladder)trans-115.4157.9169.800000111.5E308 L309 L332 N369 P370 F372E308-A329 CarbonylContact O-C 3.49Å; E308-A329 WeakPolarHBondContact O-CA 3.48Å; E308-A329 WeakPolarHBondContact O-CB 3.39Å; L309-A329 HydrophobicContact CD1-CB 3.8Å; A329-L332 HydrophobicContact CB-CD2 3.82Å; A329-L332 HydrophobicContact CB-CG 4.47Å; A329-N369 CarbonylContact O-C 3.48Å; A329-N369 VanDerWaalsContact O-CA 3.26Å; A329-N369 WeakPolarHBondContact O-CA 3.03Å; A329-P370 HydrophobicContact CB-CG 3.92Å; A329-P370 PolarHBondContact N-O 2.92Å; A329-F372 HydrophobicContact CB-CE2 4.34Å
330R85.7Confident77Confident78 Ų7857.6 Ų57.629%0.29431%0.308SS..EExtended strand (participates in β ladder)trans-144.8168.517570.5-179.9-175.6-165.7-2.1110.9G307 E308 L332 N369 W441G307-R330 WeakPolarHBondContact CA-O 3.47Å; E308-R330 HydrophobicContact CB-CG 4.14Å; E308-R330 VanDerWaalsContact CD-NH2 3.34Å; E308-R330 PolarHBondContact N-O 3.33Å; E308-R330 PolarHBondContact O-N 3.33Å; E308-R330 IonicContact OE1-CZ 3.97Å; E308-R330 IonicContact OE1-NH2 3.01Å; E308-R330 PolarHBondContact OE1-NH2 2.9Å; E308-R330 IonicContact OE2-CZ 3.25Å; E308-R330 VanDerWaalsContact OE2-CZ 3.25Å; E308-R330 IonicContact OE2-NE 2.7Å; E308-R330 PolarHBondContact OE2-NE 2.87Å; E308-R330 IonicContact OE2-NH2 2.97Å; E308-R330 PolarHBondContact OE2-NH2 2.99Å; R330-L332 PolarHBondContact O-N 3.04Å; R330-N369 WeakPolarHBondContact CA-OD1 3.4Å; R330-N369 WeakPolarHBondContact CB-OD1 3.37Å; R330-W441 HydrophobicContact CB-CH2 4.18Å; R330-W441 HydrophobicContact CB-CZ3 4.31Å; R330-W441 HydrophobicContact CG-CE3 4.33Å; R330-W441 HydrophobicContact CG-CH2 3.7Å; R330-W441 HydrophobicContact CG-CZ3 3.59Å
331H77.8Confident76Confident105 Ų10556.9 Ų56.949%0.48631%0.305SS..SBendtrans5630.8177.8-52.5141.9000113.7G307 E308G307-H331 WeakPolarHBondContact CA-O 3.1Å; E308-H331 IonicContact OE2-CE1 3.19Å; E308-H331 PolarHBondContact OE2-CE1 3.44Å; E308-H331 IonicContact OE2-CG 2.66Å; E308-H331 IonicContact OE2-ND1 3.36Å; E308-H331 PolarHBondContact OE2-ND1 2.98Å
332L77.4Confident75.5Confident13 Ų1357.2 Ų57.27%0.06831%0.306CS..  trans-62.1142.2-180-58-165.6000110.6A329 R330 K334 P343 P370 L395A329-L332 HydrophobicContact CB-CD2 3.82Å; A329-L332 HydrophobicContact CB-CG 4.47Å; R330-L332 PolarHBondContact O-N 3.04Å; L332-K334 PolarHBondContact O-N 2.69Å; L332-P343 HydrophobicContact CD1-CB 3.97Å; L332-P343 HydrophobicContact CD1-CG 4.05Å; L332-P370 HydrophobicContact CD1-CG 3.92Å; L332-L395 HydrophobicContact CD1-CD2 4.09Å; L332-L395 HydrophobicContact CD2-CD2 3.34Å; L332-L395 HydrophobicContact CG-CD2 4.31Å
333P70.1Confident75.2Confident41 Ų4157.2 Ų57.227%0.26631%0.306SS..  trans-53.6123173.2-24.934.3000110.2R306 T335 I410R306-P333 HydrophobicContact CB-CG 4.39Å; R306-P333 HydrophobicContact CG-CG 4.49Å; P333-T335 PolarHBondContact O-N 3.02Å; P333-I410 HydrophobicContact CG-CG2 3.92Å
334K58.8Low75Confident164 Ų16456.6 Ų56.671%0.71330%0.302SS*.  trans-81.9101.3166.3-67.1-173.8177.9-171.70107L332 E336L332-K334 PolarHBondContact O-N 2.69Å; K334-E336 WeakPolarHBondContact O-CG 3.41Å; K334-E336 PolarHBondContact O-N 2.91Å
335T54.1Low74.9Confident73 Ų7356.6 Ų56.645%0.44830%0.302SS..  trans-64.3100.1168.6-55.60000107.5P333 N337 N338P333-T335 PolarHBondContact O-N 3.02Å; T335-N337 PolarHBondContact O-N 2.83Å; T335-N338 HydrophobicContact CG2-CB 3.89Å; T335-N338 PolarHBondContact O-N 3Å
336E47.3Very low74.8Confident137 Ų13757.2 Ų57.264%0.6430%0.303SS*.THydrogen-bonded Turntrans-64.7-5.9-168.9-59.2-165.7158.700114.6R268 K334R268-E336 WeakPolarHBondContact CD-OE2 3.24Å; R268-E336 IonicContact CZ-OE2 3.6Å; R268-E336 IonicContact NE-OE2 2.93Å; R268-E336 IonicContact NH1-OE2 3.97Å; R268-E336 PolarHBondContact NH1-OE2 2.92Å; K334-E336 WeakPolarHBondContact O-CG 3.41Å; K334-E336 PolarHBondContact O-N 2.91Å
337N45.2Very low74.7Confident138 Ų13857.2 Ų57.274%0.73830%0.303SS*.THydrogen-bonded Turntrans-112.6-7.6176-71.819.2000114.8T335T335-N337 PolarHBondContact O-N 2.83Å
338N50.8Low74.8Confident72 Ų7255.5 Ų55.539%0.38529%0.293SS..SBendtrans-95.6155172-93.531.5000109.8T335T335-N338 HydrophobicContact CG2-CB 3.89Å; T335-N338 PolarHBondContact O-N 3Å
339G54.4Low74.8Confident59 Ų5951.2 Ų51.261%0.60828%0.275SS*.SBendtrans-69.3-152.2175.500000112.7T341G339-T341 PolarHBondContact O-N 2.82Å; G339-T341 VanDerWaalsContact O-N 3.09Å
340P57.5Low74.8Confident96 Ų9653.4 Ų53.462%0.62328%0.283SS*.SBendtrans-58119.5174.1-17.129.4000110.2C366P340-C366 HydrophobicContact CB-CB 3.54Å; P340-C366 WeakPolarHBondContact CB-SG 3.17Å; P340-C366 HydrophobicContact CG-CB 4.48Å
341T68.1Low75Confident21 Ų2152 Ų5213%0.12928%0.28CS..  trans-68.5137.3175560000109.6G339 P343 C366 S367 D397G339-T341 PolarHBondContact O-N 2.82Å; G339-T341 VanDerWaalsContact O-N 3.09Å; T341-P343 WeakPolarHBondContact O-CD 3.46Å; T341-C366 CarbonylContact O-C 3.43Å; T341-C366 VanDerWaalsContact O-CA 3.3Å; T341-C366 WeakPolarHBondContact O-CA 2.96Å; T341-C366 PolarHBondContact O-N 3.42Å; T341-C366 VanDerWaalsContact O-N 3.09Å; T341-S367 PolarHBondContact O-N 2.92Å; T341-S367 VanDerWaalsContact O-N 3.13Å; T341-D397 WeakPolarHBondContact CA-OD1 3.39Å
342D81.9Confident75.3Confident26 Ų2648.3 Ų48.314%0.13927%0.271CS..  trans-112.369.1179.2-83.915.1000108.9V363 K365 C366 D397 S398D342-V363 HydrophobicContact CB-CG1 3.72Å; D342-V363 WeakPolarHBondContact O-CG1 3.23Å; D342-K365 WeakPolarHBondContact OD1-CA 3.44Å; D342-K365 WeakPolarHBondContact OD2-CG 3.42Å; D342-C366 PolarHBondContact OD1-N 2.94Å; D342-D397 PolarHBondContact N-OD1 3.25Å; D342-S398 VanDerWaalsContact O-CB 3.23Å; D342-S398 WeakPolarHBondContact O-CB 3.44Å; D342-S398 PolarHBondContact O-N 3.17Å
343P87.7Confident75.6Confident0 Ų058 Ų580%031%0.312CS..EExtended strand (participates in β ladder)trans-67.8145.2-172.926-37.4000114.1L332 T341 K364 S367 P370 L395 M396 I410L332-P343 HydrophobicContact CD1-CB 3.97Å; L332-P343 HydrophobicContact CD1-CG 4.05Å; T341-P343 WeakPolarHBondContact O-CD 3.46Å; P343-K364 VanDerWaalsContact CD-O 3.24Å; P343-K364 WeakPolarHBondContact CD-O 3.48Å; P343-K364 PolarHBondContact O-N 3.48Å; P343-S367 WeakPolarHBondContact CG-O 3.44Å; P343-P370 HydrophobicContact CB-CG 4.14Å; P343-P370 HydrophobicContact CG-CB 3.83Å; P343-P370 HydrophobicContact CG-CG 3.66Å; P343-L395 HydrophobicContact CB-CD1 4.14Å; P343-M396 WeakPolarHBondContact CA-O 3.29Å; P343-I410 HydrophobicContact CB-CD1 4.46Å
344Y91.6Very high76.5Confident12 Ų1263.4 Ų63.45%0.04733%0.331CS..EExtended strand (participates in β ladder)trans-148158.5167.773-74.6000111K346 K360 V363 M396 N407Y344-K346 HydrophobicContact CD2-CG 4.34Å; Y344-K346 HydrophobicContact CE2-CD 4.24Å; Y344-K346 HydrophobicContact CE2-CG 3.79Å; Y344-K346 WeakPolarHBondContact OH-CE 3.45Å; Y344-K346 PolarHBondContact OH-NZ 3Å; Y344-K360 HydrophobicContact CD2-CB 4.38Å; Y344-K360 HydrophobicContact CD2-CD 4.5Å; Y344-K360 HydrophobicContact CE2-CD 4.34Å; Y344-V363 HydrophobicContact CD1-CG2 4.16Å; Y344-V363 HydrophobicContact CG-CG2 4.12Å; Y344-M396 HydrophobicContact CD1-CB 4.22Å; Y344-M396 WeakPolarHBondContact CD1-O 3.48Å; Y344-M396 HydrophobicContact CE1-CB 3.75Å; Y344-M396 PolarHBondContact N-O 3.29Å; Y344-M396 PolarHBondContact O-N 3.46Å; Y344-N407 PolarHBondContact OH-OD1 2.85Å
345V93.8Very high78Confident0 Ų061.5 Ų61.50%032%0.32CS..EExtended strand (participates in β ladder)trans-111.5126.5-180-1780000109.7L309 V326 V347 K360 T361 F372 L393 L394 L395L309-V345 HydrophobicContact CD1-CG2 4.17Å; L309-V345 HydrophobicContact CD2-CG1 4.35Å; L309-V345 HydrophobicContact CD2-CG2 4.38Å; V326-V345 HydrophobicContact CG1-CB 4.25Å; V326-V345 HydrophobicContact CG1-CG2 4.05Å; V345-V347 HydrophobicContact CG1-CG2 4.16Å; V345-K360 CarbonylContact O-C 3.43Å; V345-K360 VanDerWaalsContact O-CA 3.26Å; V345-K360 WeakPolarHBondContact O-CA 3.49Å; V345-T361 HydrophobicContact CB-CG2 3.95Å; V345-T361 PolarHBondContact N-OG1 3.18Å; V345-T361 PolarHBondContact O-N 3.32Å; V345-F372 HydrophobicContact CG2-CD2 4.4Å; V345-F372 HydrophobicContact CG2-CE2 3.84Å; V345-F372 HydrophobicContact CG2-CZ 3.98Å; V345-L393 HydrophobicContact CG1-CB 4.04Å; V345-L393 HydrophobicContact CG1-CD2 4.02Å; V345-L394 CarbonylContact C-O 3.44Å; V345-L394 WeakPolarHBondContact CA-O 3.49Å; V345-L395 HydrophobicContact CG2-CD1 3.7Å
346K94.7Very high79.7Confident33 Ų3361 Ų6114%0.14331%0.314CS..EExtended strand (participates in β ladder)trans-90.1131.2163.7-62.3179.8-173.2156.70108.4Y344 K359 K360 L393 L394 M396Y344-K346 HydrophobicContact CD2-CG 4.34Å; Y344-K346 HydrophobicContact CE2-CD 4.24Å; Y344-K346 HydrophobicContact CE2-CG 3.79Å; Y344-K346 WeakPolarHBondContact OH-CE 3.45Å; Y344-K346 PolarHBondContact OH-NZ 3Å; K346-K359 WeakPolarHBondContact CA-O 3.12Å; K346-K360 HydrophobicContact CG-CB 4.21Å; K346-L393 WeakPolarHBondContact O-CA 3.24Å; K346-L394 HydrophobicContact CB-CB 4.33Å; K346-L394 PolarHBondContact N-O 3.42Å; K346-L394 PolarHBondContact O-N 2.93Å; K346-M396 HydrophobicContact CD-SD 3.47Å; K346-M396 WeakPolarHBondContact CD-SD 3.44Å; K346-M396 WeakPolarHBondContact CE-SD 3.45Å; K346-M396 HydrophobicContact CG-SD 4.11Å; K346-M396 PolarHBondContact NZ-SD 3.46Å
347V96.1Very high81.8Confident0 Ų056.3 Ų56.30%030%0.296CS..EExtended strand (participates in β ladder)trans-111.4107.8176.8-173.10000107.5V324 V326 V345 K358 K359 F376 F378 V391 L393V324-V347 HydrophobicContact CG1-CG1 4.49Å; V326-V347 HydrophobicContact CG2-CG2 3.92Å; V345-V347 HydrophobicContact CG1-CG2 4.16Å; V347-K358 WeakPolarHBondContact O-CA 3.34Å; V347-K359 PolarHBondContact N-O 3.35Å; V347-K359 PolarHBondContact O-N 3.04Å; V347-F376 HydrophobicContact CB-CD2 4.41Å; V347-F376 HydrophobicContact CG2-CD2 3.84Å; V347-F376 HydrophobicContact CG2-CE2 3.77Å; V347-F378 HydrophobicContact CB-CZ 4.4Å; V347-F378 HydrophobicContact CG1-CE2 4.06Å; V347-F378 HydrophobicContact CG1-CZ 3.75Å; V347-V391 HydrophobicContact CG1-CG1 3.68Å; V347-L393 HydrophobicContact CG1-CG 4.46Å; V347-L393 HydrophobicContact CG2-CD2 4.03Å; V347-L393 HydrophobicContact CG2-CG 4.4Å
348N94.6Very high84.1Confident4 Ų455.3 Ų55.32%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-101.7131.3176.7-62.2-41.2000108.6Y350 R355 C357 K358 V391 E392N348-Y350 HydrophobicContact CB-CD2 4.22Å; N348-Y350 HydrophobicContact CB-CE2 3.55Å; N348-R355 HydrophobicContact CB-CG 4.4Å; N348-C357 WeakPolarHBondContact CA-O 3.43Å; N348-K358 WeakPolarHBondContact OD1-CD 3.47Å; N348-K358 VanDerWaalsContact OD1-CG 3.24Å; N348-K358 WeakPolarHBondContact OD1-CG 3.22Å; N348-V391 WeakPolarHBondContact O-CA 3.42Å; N348-E392 HydrophobicContact CB-CB 4.26Å; N348-E392 PolarHBondContact N-O 3.04Å; N348-E392 PolarHBondContact ND2-OE2 3.03Å; N348-E392 PolarHBondContact O-N 3.21Å
349M92.9Very high86.2Confident2 Ų255.6 Ų55.61%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-108.5132.8174.4-172.2-168.8-172.600109.5R355 I356 C357 F378 L380 T389 V391M349-R355 CarbonylContact O-C 3.58Å; M349-R355 WeakPolarHBondContact O-CA 3.3Å; M349-R355 WeakPolarHBondContact O-CG 3.16Å; M349-I356 HydrophobicContact CB-CG1 4.24Å; M349-I356 HydrophobicContact CE-CD1 3.98Å; M349-I356 HydrophobicContact CG-CD1 4.07Å; M349-I356 HydrophobicContact CG-CG1 4.02Å; M349-I356 WeakPolarHBondContact O-CG1 3.49Å; M349-I356 PolarHBondContact O-N 2.75Å; M349-I356 HydrophobicContact SD-CD1 3.66Å; M349-I356 HydrophobicContact SD-CG1 4.05Å; M349-C357 HydrophobicContact CB-CB 4.01Å; M349-C357 PolarHBondContact N-O 2.95Å; M349-C357 PolarHBondContact O-N 3.3Å; M349-F378 HydrophobicContact CB-CD1 4.15Å; M349-F378 HydrophobicContact CB-CE1 4.2Å; M349-F378 HydrophobicContact CE-CB 3.92Å; M349-F378 HydrophobicContact SD-CB 3.44Å; M349-F378 WeakPolarHBondContact SD-CB 3.28Å; M349-F378 HydrophobicContact SD-CD1 3.69Å; M349-F378 HydrophobicContact SD-CG 3.69Å; M349-L380 HydrophobicContact CE-CD2 3.32Å; M349-L380 HydrophobicContact CE-CG 4.21Å; M349-T389 HydrophobicContact CE-CG2 3.69Å; M349-T389 HydrophobicContact CG-CG2 4.47Å; M349-V391 HydrophobicContact CG-CG2 4.49Å
350Y91.2Very high88.1Confident48 Ų4859.3 Ų59.319%0.18828%0.282CS..EExtended strand (participates in β ladder)trans-120.9143.7-178.5-71.2-102.7000110.3N348 K354 R355 T389 S390 E392N348-Y350 HydrophobicContact CB-CD2 4.22Å; N348-Y350 HydrophobicContact CB-CE2 3.55Å; Y350-K354 WeakPolarHBondContact CA-O 3.24Å; Y350-R355 HydrophobicContact CD1-CB 3.86Å; Y350-R355 HydrophobicContact CD1-CG 4.47Å; Y350-R355 HydrophobicContact CD2-CG 4.4Å; Y350-R355 HydrophobicContact CE1-CB 3.57Å; Y350-R355 HydrophobicContact CE1-CG 4.17Å; Y350-R355 HydrophobicContact CE2-CB 4.38Å; Y350-R355 HydrophobicContact CE2-CG 4.07Å; Y350-R355 HydrophobicContact CG-CB 4.39Å; Y350-T389 WeakPolarHBondContact O-CA 3.24Å; Y350-S390 WeakPolarHBondContact CB-OG 3.35Å; Y350-S390 PolarHBondContact N-O 3.09Å; Y350-S390 PolarHBondContact O-N 3.42Å; Y350-E392 HydrophobicContact CD2-CB 4.35Å; Y350-E392 HydrophobicContact CE2-CB 4.04Å
351Q88.2Confident89.8Confident47 Ų4754.9 Ų54.922%0.2225%0.253CS..EExtended strand (participates in β ladder)trans-120.4115.3166.2-167.1177.732.300106.6K353 K354 I356 S382 D388Q351-K353 PolarHBondContact O-N 3.05Å; Q351-K354 PolarHBondContact N-O 3.26Å; Q351-K354 PolarHBondContact O-N 2.94Å; Q351-I356 HydrophobicContact CB-CD1 4.15Å; Q351-I356 HydrophobicContact CB-CG2 4.06Å; Q351-S382 VanDerWaalsContact NE2-CB 3.34Å; Q351-S382 PolarHBondContact NE2-OG 2.58Å; Q351-D388 CarbonylContact C-O 3.55Å; Q351-D388 WeakPolarHBondContact CA-O 3.02Å
352G85.3Confident90.9Very high29 Ų2960.2 Ų60.230%0.29928%0.276SS..THydrogen-bonded Turntrans51.6-120.7-164.200000110.8D388G352-D388 VanDerWaalsContact CA-CG 3.47Å; G352-D388 WeakPolarHBondContact CA-OD1 3.2Å; G352-D388 WeakPolarHBondContact CA-OD2 3.28Å; G352-D388 VanDerWaalsContact N-CG 3.31Å; G352-D388 PolarHBondContact N-O 3.49Å; G352-D388 PolarHBondContact N-OD1 2.88Å; G352-D388 PolarHBondContact N-OD2 3.27Å
353K84Confident91.2Very high215 Ų21561.5 Ų61.594%0.93529%0.285SS*.THydrogen-bonded Turntrans-91.8-2.4178.4-63-179.2179.8177.10114.1Q351Q351-K353 PolarHBondContact O-N 3.05Å
354K88.4Confident91.1Very high155 Ų15564.3 Ų64.367%0.67430%0.297SS*.EExtended strand (participates in β ladder)trans-100.2123.1-174.8-174.3179.8179-175.50110.9Y350 Q351 I356Y350-K354 WeakPolarHBondContact CA-O 3.24Å; Q351-K354 PolarHBondContact N-O 3.26Å; Q351-K354 PolarHBondContact O-N 2.94Å; K354-I356 PolarHBondContact O-N 3.14Å
355R91Very high90.4Very high125 Ų12571.3 Ų71.347%0.47233%0.328SS..EExtended strand (participates in β ladder)trans-71.6119169.2-168174.660.4-144.6-6.7109.4N348 M349 Y350N348-R355 HydrophobicContact CB-CG 4.4Å; M349-R355 CarbonylContact O-C 3.58Å; M349-R355 WeakPolarHBondContact O-CA 3.3Å; M349-R355 WeakPolarHBondContact O-CG 3.16Å; Y350-R355 HydrophobicContact CD1-CB 3.86Å; Y350-R355 HydrophobicContact CD1-CG 4.47Å; Y350-R355 HydrophobicContact CD2-CG 4.4Å; Y350-R355 HydrophobicContact CE1-CB 3.57Å; Y350-R355 HydrophobicContact CE1-CG 4.17Å; Y350-R355 HydrophobicContact CE2-CB 4.38Å; Y350-R355 HydrophobicContact CE2-CG 4.07Å; Y350-R355 HydrophobicContact CG-CB 4.39Å
356I89.3Confident89.1Confident63 Ų6375 Ų7532%0.32335%0.353SS..EExtended strand (participates in β ladder)trans-100.6-31.3-178.556.1167000112.9M349 Q351 K354 P381M349-I356 HydrophobicContact CB-CG1 4.24Å; M349-I356 HydrophobicContact CE-CD1 3.98Å; M349-I356 HydrophobicContact CG-CD1 4.07Å; M349-I356 HydrophobicContact CG-CG1 4.02Å; M349-I356 WeakPolarHBondContact O-CG1 3.49Å; M349-I356 PolarHBondContact O-N 2.75Å; M349-I356 HydrophobicContact SD-CD1 3.66Å; M349-I356 HydrophobicContact SD-CG1 4.05Å; Q351-I356 HydrophobicContact CB-CD1 4.15Å; Q351-I356 HydrophobicContact CB-CG2 4.06Å; K354-I356 PolarHBondContact O-N 3.14Å; I356-P381 HydrophobicContact CD1-CG 3.86Å
357C90.4Very high87.8Confident38 Ų3874.8 Ų74.826%0.25736%0.355SS..EExtended strand (participates in β ladder)trans-139.7154.8177.8-159.70000111.9N348 M349 F378N348-C357 WeakPolarHBondContact CA-O 3.43Å; M349-C357 HydrophobicContact CB-CB 4.01Å; M349-C357 PolarHBondContact N-O 2.95Å; M349-C357 PolarHBondContact O-N 3.3Å; C357-F378 HydrophobicContact CB-CD1 3.84Å; C357-F378 HydrophobicContact CB-CE1 3.87Å
358K93.9Very high86.4Confident117 Ų11777.5 Ų77.551%0.50937%0.373SS..EExtended strand (participates in β ladder)trans-146.3116.1173.9173169.3-178.9-175.90109.5V347 N348V347-K358 WeakPolarHBondContact O-CA 3.34Å; N348-K358 WeakPolarHBondContact OD1-CD 3.47Å; N348-K358 VanDerWaalsContact OD1-CG 3.24Å; N348-K358 WeakPolarHBondContact OD1-CG 3.22Å
359K94.3Very high85.7Confident77 Ų7781.7 Ų81.734%0.33540%0.396SS..EExtended strand (participates in β ladder)trans-119.5167.4174.1-60.2-174.2-177.3-179.30109.1K346 V347 F376 V377 F378K346-K359 WeakPolarHBondContact CA-O 3.12Å; V347-K359 PolarHBondContact N-O 3.35Å; V347-K359 PolarHBondContact O-N 3.04Å; K359-F376 HydrophobicContact CB-CD1 3.68Å; K359-F376 HydrophobicContact CB-CE1 3.83Å; K359-F376 HydrophobicContact CB-CG 4.3Å; K359-F376 HydrophobicContact CD-CB 4.13Å; K359-F376 HydrophobicContact CD-CD1 3.65Å; K359-F376 HydrophobicContact CD-CG 4.23Å; K359-F376 HydrophobicContact CG-CD1 4.25Å; K359-V377 PolarHBondContact NZ-O 3.39Å; K359-F378 HydrophobicContact CD-CE1 3.83Å; K359-F378 HydrophobicContact CD-CZ 4.06Å; K359-F378 HydrophobicContact CG-CE1 4.07Å; K359-F378 HydrophobicContact CG-CZ 4.37Å
360K94.3Very high85.4Confident137 Ų13781.6 Ų81.660%0.59640%0.395SS*.EExtended strand (participates in β ladder)trans-143.8151174.565.8171.2-175.31710110.3Y344 V345 K346Y344-K360 HydrophobicContact CD2-CB 4.38Å; Y344-K360 HydrophobicContact CD2-CD 4.5Å; Y344-K360 HydrophobicContact CE2-CD 4.34Å; V345-K360 CarbonylContact O-C 3.43Å; V345-K360 VanDerWaalsContact O-CA 3.26Å; V345-K360 WeakPolarHBondContact O-CA 3.49Å; K346-K360 HydrophobicContact CG-CB 4.21Å
361T94.6Very high85.3Confident3 Ų382.7 Ų82.72%0.01841%0.407CS..PPolyproline II helixtrans-74168.8169.267.90000111.1V326 V345 F372 E374 F376V326-T361 HydrophobicContact CB-CG2 4.08Å; V326-T361 HydrophobicContact CG1-CG2 4.09Å; V326-T361 HydrophobicContact CG2-CG2 4.3Å; V345-T361 HydrophobicContact CB-CG2 3.95Å; V345-T361 PolarHBondContact N-OG1 3.18Å; V345-T361 PolarHBondContact O-N 3.32Å; T361-F372 HydrophobicContact CG2-CB 4.2Å; T361-F372 HydrophobicContact CG2-CD1 4.01Å; T361-F372 HydrophobicContact CG2-CG 4.12Å; T361-F372 WeakPolarHBondContact OG1-CD1 3.38Å; T361-F372 WeakPolarHBondContact OG1-CE1 3.47Å; T361-E374 WeakPolarHBondContact CA-OE2 3.12Å; T361-E374 WeakPolarHBondContact CB-OE1 3.2Å; T361-E374 HydrophobicContact CG2-CB 4.28Å; T361-F376 HydrophobicContact CG2-CE2 3.96Å; T361-F376 HydrophobicContact CG2-CZ 3.96Å
362H91Very high85.6Confident134 Ų13480.9 Ų80.962%0.6240%0.398SS*.PPolyproline II helixtrans-64.9153.1161.4-65.471.6000110.4E374H362-E374 WeakPolarHBondContact CB-OE1 3.47Å; H362-E374 IonicContact CE1-OE2 2.71Å; H362-E374 IonicContact CG-OE1 3.83Å; H362-E374 IonicContact CG-OE2 3.94Å; H362-E374 VanDerWaalsContact N-CD 3.32Å; H362-E374 PolarHBondContact N-OE1 3Å; H362-E374 PolarHBondContact N-OE2 2.83Å; H362-E374 VanDerWaalsContact ND1-CD 3.33Å; H362-E374 IonicContact ND1-OE1 2.69Å; H362-E374 IonicContact ND1-OE2 2.81Å; H362-E374 PolarHBondContact ND1-OE2 3.38Å
363V88.3Confident86Confident52 Ų5284.5 Ų84.532%0.31541%0.411SS..PPolyproline II helixtrans-78.5129175.1178.30000109.2D342 Y344D342-V363 HydrophobicContact CB-CG1 3.72Å; D342-V363 WeakPolarHBondContact O-CG1 3.23Å; Y344-V363 HydrophobicContact CD1-CG2 4.16Å; Y344-V363 HydrophobicContact CG-CG2 4.12Å
364K85.1Confident86.5Confident59 Ų5975.5 Ų75.526%0.25737%0.372SS..  trans-106101-179.9-59-67167.1145.20108.8P343 P370 V371 F372P343-K364 VanDerWaalsContact CD-O 3.24Å; P343-K364 WeakPolarHBondContact CD-O 3.48Å; P343-K364 PolarHBondContact O-N 3.48Å; K364-P370 HydrophobicContact CB-CB 3.78Å; K364-P370 HydrophobicContact CG-CB 4.05Å; K364-V371 WeakPolarHBondContact CD-O 3.4Å; K364-V371 WeakPolarHBondContact CE-O 3.42Å; K364-V371 PolarHBondContact NZ-O 3.31Å; K364-F372 HydrophobicContact CB-CE1 4.36Å; K364-F372 HydrophobicContact CD-CD1 4.46Å; K364-F372 HydrophobicContact CG-CD1 3.67Å; K364-F372 HydrophobicContact CG-CE1 3.55Å; K364-F372 HydrophobicContact CG-CZ 4.46Å; K364-F372 PolarHBondContact NZ-O 2.79Å
365K76.9Confident86.9Confident159 Ų15973.1 Ų73.169%0.69137%0.366SS*.THydrogen-bonded Turntrans-63.9142.9-171.5-59.8-163.3173.2-175.10113.4D342 S367D342-K365 WeakPolarHBondContact OD1-CA 3.44Å; D342-K365 WeakPolarHBondContact OD2-CG 3.42Å; K365-S367 WeakPolarHBondContact O-CB 3.15Å; K365-S367 PolarHBondContact O-N 2.96Å
366C66.6Low87.1Confident78 Ų7868 Ų6853%0.52735%0.347SS..THydrogen-bonded Turntrans55.425.8167.7-50.20000115.5P340 T341 D342P340-C366 HydrophobicContact CB-CB 3.54Å; P340-C366 WeakPolarHBondContact CB-SG 3.17Å; P340-C366 HydrophobicContact CG-CB 4.48Å; T341-C366 CarbonylContact O-C 3.43Å; T341-C366 VanDerWaalsContact O-CA 3.3Å; T341-C366 WeakPolarHBondContact O-CA 2.96Å; T341-C366 PolarHBondContact O-N 3.42Å; T341-C366 VanDerWaalsContact O-N 3.09Å; D342-C366 PolarHBondContact OD1-N 2.94Å
367S66.9Low87.4Confident28 Ų2867.8 Ų67.820%0.19635%0.349CS..  trans-118.1106.9-160.7172.20000113.6T341 P343 K365 N369 P370T341-S367 PolarHBondContact O-N 2.92Å; T341-S367 VanDerWaalsContact O-N 3.13Å; P343-S367 WeakPolarHBondContact CG-O 3.44Å; K365-S367 WeakPolarHBondContact O-CB 3.15Å; K365-S367 PolarHBondContact O-N 2.96Å; S367-N369 VanDerWaalsContact C-N 3.28Å; S367-N369 PolarHBondContact O-N 3.18Å; S367-P370 WeakPolarHBondContact O-CD 3.19Å; S367-P370 WeakPolarHBondContact OG-CA 3.36Å
368P67Low87.5Confident58 Ų5866.2 Ų66.238%0.37734%0.338SS..SBendtrans-75.4-11.2178.131.1-36.2000114.4
369N80.8Confident87.3Confident92 Ų9266.5 Ų66.549%0.49234%0.344SS..SBendtrans-134.767.5174.5-59.1-75.8000109.5A329 R330 S367A329-N369 CarbonylContact O-C 3.48Å; A329-N369 VanDerWaalsContact O-CA 3.26Å; A329-N369 WeakPolarHBondContact O-CA 3.03Å; R330-N369 WeakPolarHBondContact CA-OD1 3.4Å; R330-N369 WeakPolarHBondContact CB-OD1 3.37Å; S367-N369 VanDerWaalsContact C-N 3.28Å; S367-N369 PolarHBondContact O-N 3.18Å
370P86.3Confident87Confident0 Ų063.6 Ų63.60%033%0.332CS..  trans-67.5136.3-170.530.7-36.8000112.1K328 A329 L332 P343 K364 S367 F372K328-P370 CarbonylContact C-O 3.59Å; K328-P370 WeakPolarHBondContact CA-O 3.27Å; K328-P370 WeakPolarHBondContact CB-O 3.06Å; A329-P370 HydrophobicContact CB-CG 3.92Å; A329-P370 PolarHBondContact N-O 2.92Å; L332-P370 HydrophobicContact CD1-CG 3.92Å; P343-P370 HydrophobicContact CB-CG 4.14Å; P343-P370 HydrophobicContact CG-CB 3.83Å; P343-P370 HydrophobicContact CG-CG 3.66Å; K364-P370 HydrophobicContact CB-CB 3.78Å; K364-P370 HydrophobicContact CG-CB 4.05Å; S367-P370 WeakPolarHBondContact O-CD 3.19Å; S367-P370 WeakPolarHBondContact OG-CA 3.36Å; P370-F372 HydrophobicContact CB-CE1 4.16Å; P370-F372 HydrophobicContact CB-CE2 3.93Å; P370-F372 HydrophobicContact CB-CZ 3.65Å; P370-F372 HydrophobicContact CG-CE2 3.66Å; P370-F372 HydrophobicContact CG-CZ 3.59Å
371V89.6Confident86.1Confident71 Ų7161 Ų6143%0.4333%0.33SS..EExtended strand (participates in β ladder)trans-103.7114.6170.1-178.40000108.1K328 K364 N373K328-V371 HydrophobicContact CB-CB 4.42Å; K328-V371 HydrophobicContact CB-CG2 4.06Å; K364-V371 WeakPolarHBondContact CD-O 3.4Å; K364-V371 WeakPolarHBondContact CE-O 3.42Å; K364-V371 PolarHBondContact NZ-O 3.31Å; V371-N373 WeakPolarHBondContact CG1-ND2 2.91Å
372F93.4Very high84.8Confident8 Ų862.3 Ų62.34%0.03534%0.339CS..EExtended strand (participates in β ladder)trans-89.1-60.4178.9-58.8-73.3000109.7V326 L327 A329 V345 T361 K364 P370 E374 L395V326-F372 HydrophobicContact CB-CB 4.45Å; V326-F372 HydrophobicContact CG1-CB 4.1Å; V326-F372 HydrophobicContact CG1-CD2 3.73Å; V326-F372 HydrophobicContact CG1-CE2 4.49Å; V326-F372 HydrophobicContact CG1-CG 4.09Å; V326-F372 WeakPolarHBondContact O-CB 3.46Å; L327-F372 PolarHBondContact O-N 2.77Å; A329-F372 HydrophobicContact CB-CE2 4.34Å; V345-F372 HydrophobicContact CG2-CD2 4.4Å; V345-F372 HydrophobicContact CG2-CE2 3.84Å; V345-F372 HydrophobicContact CG2-CZ 3.98Å; T361-F372 HydrophobicContact CG2-CB 4.2Å; T361-F372 HydrophobicContact CG2-CD1 4.01Å; T361-F372 HydrophobicContact CG2-CG 4.12Å; T361-F372 WeakPolarHBondContact OG1-CD1 3.38Å; T361-F372 WeakPolarHBondContact OG1-CE1 3.47Å; K364-F372 HydrophobicContact CB-CE1 4.36Å; K364-F372 HydrophobicContact CD-CD1 4.46Å; K364-F372 HydrophobicContact CG-CD1 3.67Å; K364-F372 HydrophobicContact CG-CE1 3.55Å; K364-F372 HydrophobicContact CG-CZ 4.46Å; K364-F372 PolarHBondContact NZ-O 2.79Å; P370-F372 HydrophobicContact CB-CE1 4.16Å; P370-F372 HydrophobicContact CB-CE2 3.93Å; P370-F372 HydrophobicContact CB-CZ 3.65Å; P370-F372 HydrophobicContact CG-CE2 3.66Å; P370-F372 HydrophobicContact CG-CZ 3.59Å; F372-E374 VanDerWaalsContact C-N 3.3Å; F372-L395 HydrophobicContact CZ-CD1 4.43Å
373N93.4Very high83.5Confident106 Ų10664.6 Ų64.657%0.56735%0.35SS*.EExtended strand (participates in β ladder)trans53.244.1-171-65.6-14.8000112.7V326 L327 V371V326-N373 WeakPolarHBondContact O-CA 3.4Å; V326-N373 PolarHBondContact O-N 2.93Å; L327-N373 PolarHBondContact O-N 2.49Å; L327-N373 PolarHBondContact O-OD1 3.44Å; V371-N373 WeakPolarHBondContact CG1-ND2 2.91Å
374E96.1Very high82.4Confident26 Ų2668.5 Ų68.512%0.12137%0.365CS..EExtended strand (participates in β ladder)trans-111.7130.1-174.8-71.1176.5-116.400111V325 V326 T361 H362 F372 F376V325-E374 CarbonylContact C-O 3.58Å; V325-E374 WeakPolarHBondContact CA-O 3.44Å; V326-E374 PolarHBondContact N-O 3.42Å; V326-E374 PolarHBondContact O-N 3.09Å; T361-E374 WeakPolarHBondContact CA-OE2 3.12Å; T361-E374 WeakPolarHBondContact CB-OE1 3.2Å; T361-E374 HydrophobicContact CG2-CB 4.28Å; H362-E374 WeakPolarHBondContact CB-OE1 3.47Å; H362-E374 IonicContact CE1-OE2 2.71Å; H362-E374 IonicContact CG-OE1 3.83Å; H362-E374 IonicContact CG-OE2 3.94Å; H362-E374 VanDerWaalsContact N-CD 3.32Å; H362-E374 PolarHBondContact N-OE1 3Å; H362-E374 PolarHBondContact N-OE2 2.83Å; H362-E374 VanDerWaalsContact ND1-CD 3.33Å; H362-E374 IonicContact ND1-OE1 2.69Å; H362-E374 IonicContact ND1-OE2 2.81Å; H362-E374 PolarHBondContact ND1-OE2 3.38Å; F372-E374 VanDerWaalsContact C-N 3.3Å; E374-F376 HydrophobicContact CB-CE2 4.34Å; E374-F376 HydrophobicContact CB-CZ 4.17Å
375L96Very high81.8Confident105 Ų10565.9 Ų65.955%0.5535%0.354SS..EExtended strand (participates in β ladder)trans-104.8131.8-174177.9150.4000110.6T323 V325 V377T323-L375 HydrophobicContact CG2-CD1 3.79Å; T323-L375 HydrophobicContact CG2-CD2 4.32Å; T323-L375 HydrophobicContact CG2-CG 3.85Å; V325-L375 HydrophobicContact CG2-CB 4.25Å; V325-L375 HydrophobicContact CG2-CD1 3.93Å; V325-L375 HydrophobicContact CG2-CG 4.09Å; L375-V377 HydrophobicContact CD2-CG2 3.6Å
376F96.1Very high82Confident18 Ų1858.7 Ų58.78%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-124.5109.8177.1-56.4-65.8000109.5V324 V326 V347 K359 T361 E374 F378V324-F376 PolarHBondContact N-O 2.94Å; V324-F376 PolarHBondContact O-N 3.26Å; V326-F376 HydrophobicContact CB-CE2 4.48Å; V326-F376 HydrophobicContact CG2-CD2 4.09Å; V326-F376 HydrophobicContact CG2-CE2 3.78Å; V347-F376 HydrophobicContact CB-CD2 4.41Å; V347-F376 HydrophobicContact CG2-CD2 3.84Å; V347-F376 HydrophobicContact CG2-CE2 3.77Å; K359-F376 HydrophobicContact CB-CD1 3.68Å; K359-F376 HydrophobicContact CB-CE1 3.83Å; K359-F376 HydrophobicContact CB-CG 4.3Å; K359-F376 HydrophobicContact CD-CB 4.13Å; K359-F376 HydrophobicContact CD-CD1 3.65Å; K359-F376 HydrophobicContact CD-CG 4.23Å; K359-F376 HydrophobicContact CG-CD1 4.25Å; T361-F376 HydrophobicContact CG2-CE2 3.96Å; T361-F376 HydrophobicContact CG2-CZ 3.96Å; E374-F376 HydrophobicContact CB-CE2 4.34Å; E374-F376 HydrophobicContact CB-CZ 4.17Å; F376-F378 HydrophobicContact CB-CD2 4.37Å; F376-F378 HydrophobicContact CB-CE2 3.54Å; F376-F378 HydrophobicContact CB-CZ 3.78Å
377V94.6Very high82.6Confident58 Ų5863.8 Ų63.835%0.35233%0.332SS..EExtended strand (participates in β ladder)trans-83.1140.8167-169.80000109T321 K359 L375T321-V377 HydrophobicContact CG2-CG1 4.2Å; K359-V377 PolarHBondContact NZ-O 3.39Å; L375-V377 HydrophobicContact CD2-CG2 3.6Å
378F92.1Very high83.5Confident5 Ų566.9 Ų66.92%0.02235%0.346CS..EExtended strand (participates in β ladder)trans-133.5134.2173-58.7-86.4000110.5T321 L322 V324 V347 M349 C357 K359 F376T321-F378 CarbonylContact C-O 3.53Å; T321-F378 WeakPolarHBondContact CA-O 3.09Å; L322-F378 PolarHBondContact N-O 3.11Å; L322-F378 PolarHBondContact O-N 2.71Å; V324-F378 HydrophobicContact CB-CE2 4.09Å; V324-F378 HydrophobicContact CG2-CD2 4.01Å; V324-F378 HydrophobicContact CG2-CE2 3.82Å; V347-F378 HydrophobicContact CB-CZ 4.4Å; V347-F378 HydrophobicContact CG1-CE2 4.06Å; V347-F378 HydrophobicContact CG1-CZ 3.75Å; M349-F378 HydrophobicContact CB-CD1 4.15Å; M349-F378 HydrophobicContact CB-CE1 4.2Å; M349-F378 HydrophobicContact CE-CB 3.92Å; M349-F378 HydrophobicContact SD-CB 3.44Å; M349-F378 WeakPolarHBondContact SD-CB 3.28Å; M349-F378 HydrophobicContact SD-CD1 3.69Å; M349-F378 HydrophobicContact SD-CG 3.69Å; C357-F378 HydrophobicContact CB-CD1 3.84Å; C357-F378 HydrophobicContact CB-CE1 3.87Å; K359-F378 HydrophobicContact CD-CE1 3.83Å; K359-F378 HydrophobicContact CD-CZ 4.06Å; K359-F378 HydrophobicContact CG-CE1 4.07Å; K359-F378 HydrophobicContact CG-CZ 4.37Å; F376-F378 HydrophobicContact CB-CD2 4.37Å; F376-F378 HydrophobicContact CB-CE2 3.54Å; F376-F378 HydrophobicContact CB-CZ 3.78Å
379D90.3Very high84.6Confident122 Ų12264.2 Ų64.265%0.65233%0.328SS*.EExtended strand (participates in β ladder)trans-90.2130.8175.9-44-56.5000109T321T321-D379 WeakPolarHBondContact CG2-OD1 3.42Å
380L87.3Confident85.2Confident16 Ų1661.2 Ų61.28%0.08432%0.315CS..  trans-88.7125-176.2-65.3158.9000110.2Y315 N320 M349 S382 L386 T389Y315-L380 HydrophobicContact CD2-CD1 3.9Å; Y315-L380 HydrophobicContact CE2-CD1 3.42Å; Y315-L380 VanDerWaalsContact CE2-CD1 3.42Å; N320-L380 HydrophobicContact CB-CB 4.23Å; N320-L380 VanDerWaalsContact O-CB 3.27Å; N320-L380 WeakPolarHBondContact O-CB 3.41Å; N320-L380 WeakPolarHBondContact O-CD1 3.33Å; N320-L380 WeakPolarHBondContact O-CG 3.02Å; N320-L380 PolarHBondContact O-N 2.81Å; M349-L380 HydrophobicContact CE-CD2 3.32Å; M349-L380 HydrophobicContact CE-CG 4.21Å; L380-S382 VanDerWaalsContact C-N 3.3Å; L380-S382 PolarHBondContact O-N 3.02Å; L380-L386 HydrophobicContact CD1-CD2 3.71Å; L380-L386 HydrophobicContact CD1-CG 4.37Å; L380-L386 HydrophobicContact CD2-CD2 3.88Å; L380-L386 HydrophobicContact CG-CD2 4.47Å; L380-T389 HydrophobicContact CD2-CG2 3.73Å; L380-T389 WeakPolarHBondContact CD2-OG1 3.25Å
381P75.1Confident85.6Confident84 Ų8461.2 Ų61.255%0.54532%0.315SS..  trans-76.1-4.7-173.3-1932.7000116.7I356I356-P381 HydrophobicContact CD1-CG 3.86Å
382S67.1Low85.8Confident30 Ų3058.8 Ų58.821%0.2130%0.299CS..SBendtrans-129.2139.8-167.952.50000113.5Q351 L380 E384 G385Q351-S382 VanDerWaalsContact NE2-CB 3.34Å; Q351-S382 PolarHBondContact NE2-OG 2.58Å; L380-S382 VanDerWaalsContact C-N 3.3Å; L380-S382 PolarHBondContact O-N 3.02Å; S382-E384 PolarHBondContact O-N 3.05Å; S382-E384 VanDerWaalsContact O-N 3.13Å; S382-G385 PolarHBondContact O-N 3.29Å
383E64.6Low85.9Confident182 Ų18258.4 Ų58.485%0.8530%0.297SS*.THydrogen-bonded Turntrans-55.2-25.7169.8-66.6-62138.500113.2G385E383-G385 PolarHBondContact O-N 2.97Å
384E64.7Low85.8Confident134 Ų13454.5 Ų54.563%0.62628%0.276SS*.THydrogen-bonded Turntrans-75.13173.9-62.6-157.7-166.200114.7S382 L386 R387S382-E384 PolarHBondContact O-N 3.05Å; S382-E384 VanDerWaalsContact O-N 3.13Å; E384-L386 PolarHBondContact O-N 2.55Å; E384-R387 PolarHBondContact O-N 2.78Å
385G72.2Confident85.6Confident3 Ų353.3 Ų53.33%0.03127%0.271CS..THydrogen-bonded Turntrans58.4-122171.300000114S382 E383 T389S382-G385 PolarHBondContact O-N 3.29Å; E383-G385 PolarHBondContact O-N 2.97Å; G385-T389 PolarHBondContact O-OG1 3.38Å
386L81.4Confident85.2Confident9 Ų949 Ų495%0.04725%0.248CC..THydrogen-bonded Turntrans-84-2.1-173.7-66.5-176.9000115.3Y315 L322 L380 E384 D388 T389 W427 I430 C431Y315-L386 HydrophobicContact CD1-CD1 3.59Å; Y315-L386 HydrophobicContact CD1-CG 4.08Å; Y315-L386 HydrophobicContact CD2-CD1 3.98Å; Y315-L386 HydrophobicContact CD2-CD2 4.18Å; Y315-L386 HydrophobicContact CD2-CG 3.97Å; Y315-L386 HydrophobicContact CE1-CD1 4.17Å; Y315-L386 HydrophobicContact CE1-CG 4.19Å; Y315-L386 HydrophobicContact CE2-CD2 4.48Å; Y315-L386 HydrophobicContact CE2-CG 4.13Å; Y315-L386 HydrophobicContact CG-CD1 3.48Å; Y315-L386 VanDerWaalsContact CG-CD1 3.48Å; Y315-L386 HydrophobicContact CG-CG 3.97Å; L322-L386 HydrophobicContact CB-CD2 4.49Å; L322-L386 HydrophobicContact CD1-CD2 4.41Å; L322-L386 HydrophobicContact CD2-CD2 4.2Å; L380-L386 HydrophobicContact CD1-CD2 3.71Å; L380-L386 HydrophobicContact CD1-CG 4.37Å; L380-L386 HydrophobicContact CD2-CD2 3.88Å; L380-L386 HydrophobicContact CG-CD2 4.47Å; E384-L386 PolarHBondContact O-N 2.55Å; L386-D388 PolarHBondContact O-N 2.86Å; L386-T389 HydrophobicContact CD2-CG2 4.36Å; L386-T389 PolarHBondContact O-N 3.27Å; L386-W427 HydrophobicContact CB-CZ2 4.1Å; L386-W427 HydrophobicContact CD1-CZ2 4.37Å; L386-W427 HydrophobicContact CD2-CH2 4.1Å; L386-W427 HydrophobicContact CD2-CZ2 3.76Å; L386-W427 HydrophobicContact CG-CZ2 4.3Å; L386-I430 HydrophobicContact CD1-CD1 4.18Å; L386-I430 HydrophobicContact CD1-CG1 4.39Å; L386-C431 VanDerWaalsContact CD1-SG 3.59Å
387R80.5Confident84.6Confident185 Ų18548.7 Ų48.770%0.69825%0.247SC*.THydrogen-bonded Turntrans-61.2-47.9-171-82.2-174.8152.3-156.8-5.5114.2E384 T417E384-R387 PolarHBondContact O-N 2.78Å; R387-T417 WeakPolarHBondContact O-CG2 3.48Å; R387-T417 PolarHBondContact O-OG1 3.49Å
388D85.1Confident83.6Confident92 Ų9247 Ų4749%0.49224%0.237SC..THydrogen-bonded Turntrans-102.114.8178-166.441.3000112.2Q351 G352 L386Q351-D388 CarbonylContact C-O 3.55Å; Q351-D388 WeakPolarHBondContact CA-O 3.02Å; G352-D388 VanDerWaalsContact CA-CG 3.47Å; G352-D388 WeakPolarHBondContact CA-OD1 3.2Å; G352-D388 WeakPolarHBondContact CA-OD2 3.28Å; G352-D388 VanDerWaalsContact N-CG 3.31Å; G352-D388 PolarHBondContact N-O 3.49Å; G352-D388 PolarHBondContact N-OD1 2.88Å; G352-D388 PolarHBondContact N-OD2 3.27Å; L386-D388 PolarHBondContact O-N 2.86Å
389T90.1Very high82.3Confident2 Ų250 Ų501%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-96.2138.2178.5-63.20000110.7M349 Y350 L380 G385 L386 W427M349-T389 HydrophobicContact CE-CG2 3.69Å; M349-T389 HydrophobicContact CG-CG2 4.47Å; Y350-T389 WeakPolarHBondContact O-CA 3.24Å; L380-T389 HydrophobicContact CD2-CG2 3.73Å; L380-T389 WeakPolarHBondContact CD2-OG1 3.25Å; G385-T389 PolarHBondContact O-OG1 3.38Å; L386-T389 HydrophobicContact CD2-CG2 4.36Å; L386-T389 PolarHBondContact O-N 3.27Å; T389-W427 HydrophobicContact CG2-CH2 4Å; T389-W427 HydrophobicContact CG2-CZ2 4.03Å; T389-W427 VanDerWaalsContact O-CZ2 3.28Å; T389-W427 WeakPolarHBondContact O-CZ2 3.27Å
390S92.8Very high80.5Confident30 Ų3051.6 Ų51.621%0.2126%0.263CS..EExtended strand (participates in β ladder)trans-136.9152.4166.654.70000112.3Y350 L415Y350-S390 WeakPolarHBondContact CB-OG 3.35Å; Y350-S390 PolarHBondContact N-O 3.09Å; Y350-S390 PolarHBondContact O-N 3.42Å; S390-L415 CarbonylContact C-O 3.5Å; S390-L415 WeakPolarHBondContact CA-O 3.46Å; S390-L415 VanDerWaalsContact CB-O 3.23Å; S390-L415 WeakPolarHBondContact CB-O 3.25Å
391V94.6Very high78.8Confident0 Ų053.9 Ų53.90%029%0.29CS..EExtended strand (participates in β ladder)trans-121.9118.3177.3-179.30000108.8L322 V324 V347 N348 M349 L393 L415 W427L322-V391 HydrophobicContact CD2-CG2 3.72Å; V324-V391 HydrophobicContact CG2-CG1 4.47Å; V324-V391 HydrophobicContact CG2-CG2 4.49Å; V347-V391 HydrophobicContact CG1-CG1 3.68Å; N348-V391 WeakPolarHBondContact O-CA 3.42Å; M349-V391 HydrophobicContact CG-CG2 4.49Å; V391-L393 HydrophobicContact CG1-CD1 3.89Å; V391-L393 HydrophobicContact CG1-CG 4.41Å; V391-L415 HydrophobicContact CB-CB 4.42Å; V391-L415 PolarHBondContact N-O 3.22Å; V391-L415 PolarHBondContact O-N 3.49Å; V391-W427 HydrophobicContact CB-CZ3 4.43Å; V391-W427 HydrophobicContact CG2-CH2 3.96Å; V391-W427 HydrophobicContact CG2-CZ3 3.98Å
392E94.8Very high77.3Confident19 Ų1954.7 Ų54.79%0.08930%0.297CS..EExtended strand (participates in β ladder)trans-101.4129.4175.3174.7-167.6-98.600109.5N348 Y350 L394 R412 L413 V414N348-E392 HydrophobicContact CB-CB 4.26Å; N348-E392 PolarHBondContact N-O 3.04Å; N348-E392 PolarHBondContact ND2-OE2 3.03Å; N348-E392 PolarHBondContact O-N 3.21Å; Y350-E392 HydrophobicContact CD2-CB 4.35Å; Y350-E392 HydrophobicContact CE2-CB 4.04Å; E392-L394 HydrophobicContact CG-CD2 4.05Å; E392-L394 HydrophobicContact CG-CG 4.28Å; E392-R412 HydrophobicContact CG-CG 4.33Å; E392-R412 IonicContact OE1-CZ 2.72Å; E392-R412 VanDerWaalsContact OE1-CZ 3.23Å; E392-R412 IonicContact OE1-NE 3.36Å; E392-R412 PolarHBondContact OE1-NE 2.92Å; E392-R412 IonicContact OE1-NH2 3.87Å; E392-R412 PolarHBondContact OE1-NH2 3.1Å; E392-L413 CarbonylContact C-O 3.59Å; E392-L413 WeakPolarHBondContact CA-O 3.4Å; E392-V414 HydrophobicContact CB-CG2 4.41Å; E392-V414 HydrophobicContact CG-CG2 4.31Å
393L94.9Very high76.1Confident0 Ų058 Ų580%032%0.32CS..EExtended strand (participates in β ladder)trans-114.3122.4174.8-61.597.3000109.6L309 L311 V326 V345 K346 V347 V391 R412 L413 L415L309-L393 HydrophobicContact CD2-CB 4.27Å; L309-L393 HydrophobicContact CD2-CD2 3.9Å; L311-L393 HydrophobicContact CD1-CD1 3.72Å; L311-L393 HydrophobicContact CD1-CD2 3.64Å; L311-L393 HydrophobicContact CD1-CG 4.31Å; L311-L393 HydrophobicContact CD2-CD2 3.6Å; L311-L393 HydrophobicContact CG-CD2 4.26Å; V326-L393 HydrophobicContact CG2-CD2 4.12Å; V345-L393 HydrophobicContact CG1-CB 4.04Å; V345-L393 HydrophobicContact CG1-CD2 4.02Å; K346-L393 WeakPolarHBondContact O-CA 3.24Å; V347-L393 HydrophobicContact CG1-CG 4.46Å; V347-L393 HydrophobicContact CG2-CD2 4.03Å; V347-L393 HydrophobicContact CG2-CG 4.4Å; V391-L393 HydrophobicContact CG1-CD1 3.89Å; V391-L393 HydrophobicContact CG1-CG 4.41Å; L393-R412 CarbonylContact O-C 3.48Å; L393-R412 WeakPolarHBondContact O-CA 3.2Å; L393-L413 HydrophobicContact CB-CB 4.42Å; L393-L413 HydrophobicContact CD1-CD2 4.34Å; L393-L413 HydrophobicContact CD1-CG 4.45Å; L393-L413 PolarHBondContact N-O 2.97Å; L393-L413 PolarHBondContact O-N 3.48Å; L393-L415 HydrophobicContact CD1-CD1 3.74Å; L393-L415 HydrophobicContact CD1-CG 4.45Å
394L92.4Very high75.3Confident25 Ų2561.2 Ų61.213%0.13133%0.325CS..EExtended strand (participates in β ladder)trans-109.8109.6175.9-55175.2000108.4V345 K346 E392 M396 R412V345-L394 CarbonylContact C-O 3.44Å; V345-L394 WeakPolarHBondContact CA-O 3.49Å; K346-L394 HydrophobicContact CB-CB 4.33Å; K346-L394 PolarHBondContact N-O 3.42Å; K346-L394 PolarHBondContact O-N 2.93Å; E392-L394 HydrophobicContact CG-CD2 4.05Å; E392-L394 HydrophobicContact CG-CG 4.28Å; L394-M396 HydrophobicContact CB-CG 4.2Å; L394-M396 HydrophobicContact CB-SD 4.44Å; L394-R412 HydrophobicContact CD2-CB 3.91Å; L394-R412 HydrophobicContact CD2-CG 3.65Å
395L90.3Very high74.5Confident1 Ų160.1 Ų60.11%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-77.9127.9166.9-17972.3000108.2L332 P343 V345 F372 I410 G411 M444L332-L395 HydrophobicContact CD1-CD2 4.09Å; L332-L395 HydrophobicContact CD2-CD2 3.34Å; L332-L395 HydrophobicContact CG-CD2 4.31Å; P343-L395 HydrophobicContact CB-CD1 4.14Å; V345-L395 HydrophobicContact CG2-CD1 3.7Å; F372-L395 HydrophobicContact CZ-CD1 4.43Å; L395-I410 HydrophobicContact CB-CB 4.4Å; L395-I410 HydrophobicContact CD2-CB 3.98Å; L395-I410 HydrophobicContact CD2-CD1 4.34Å; L395-I410 HydrophobicContact CD2-CG2 3.75Å; L395-I410 HydrophobicContact CG-CB 3.99Å; L395-I410 HydrophobicContact CG-CD1 4.19Å; L395-I410 HydrophobicContact CG-CG2 4.33Å; L395-I410 WeakPolarHBondContact O-CA 3.37Å; L395-I410 WeakPolarHBondContact O-CB 3.42Å; L395-I410 PolarHBondContact O-N 3.06Å; L395-G411 PolarHBondContact N-O 3.2Å; L395-G411 PolarHBondContact O-N 3.32Å; L395-G411 VanDerWaalsContact O-N 3.17Å; L395-M444 HydrophobicContact CB-CE 4.02Å
396M87.7Confident73.4Confident13 Ų1365.1 Ų65.16%0.06436%0.355CS..EExtended strand (participates in β ladder)trans-135.8151-174.4-54.1-168.682.400111.2P343 Y344 K346 L394 N407 T408 V409P343-M396 WeakPolarHBondContact CA-O 3.29Å; Y344-M396 HydrophobicContact CD1-CB 4.22Å; Y344-M396 WeakPolarHBondContact CD1-O 3.48Å; Y344-M396 HydrophobicContact CE1-CB 3.75Å; Y344-M396 PolarHBondContact N-O 3.29Å; Y344-M396 PolarHBondContact O-N 3.46Å; K346-M396 HydrophobicContact CD-SD 3.47Å; K346-M396 WeakPolarHBondContact CD-SD 3.44Å; K346-M396 WeakPolarHBondContact CE-SD 3.45Å; K346-M396 HydrophobicContact CG-SD 4.11Å; K346-M396 PolarHBondContact NZ-SD 3.46Å; L394-M396 HydrophobicContact CB-CG 4.2Å; L394-M396 HydrophobicContact CB-SD 4.44Å; M396-N407 HydrophobicContact CE-CB 3.83Å; M396-N407 WeakPolarHBondContact CE-O 3.28Å; M396-T408 WeakPolarHBondContact CA-O 3.27Å; M396-V409 HydrophobicContact CE-CB 4.46Å; M396-V409 HydrophobicContact CE-CG2 3.46Å; M396-V409 VanDerWaalsContact CE-CG2 3.46Å; M396-V409 HydrophobicContact CG-CG2 4.43Å; M396-V409 HydrophobicContact SD-CG2 4.44Å
397D83.8Confident72.4Confident12 Ų1267.5 Ų67.56%0.06437%0.368CS..EExtended strand (participates in β ladder)trans-91.5133.4171.5-1607.3000110.2T341 D342 D399 T408 I410T341-D397 WeakPolarHBondContact CA-OD1 3.39Å; D342-D397 PolarHBondContact N-OD1 3.25Å; D397-D399 PolarHBondContact O-N 3.35Å; D397-T408 PolarHBondContact N-O 3.22Å; D397-T408 VanDerWaalsContact N-O 3.09Å; D397-I410 HydrophobicContact CB-CD1 4Å; D397-I410 HydrophobicContact CB-CG1 4.14Å
398S74.1Confident72.1Confident22 Ų2262.1 Ų62.115%0.15436%0.356CS..  trans-97.262.7-179.5-175.70000111.4D342 N400D342-S398 VanDerWaalsContact O-CB 3.23Å; D342-S398 WeakPolarHBondContact O-CB 3.44Å; D342-S398 PolarHBondContact O-N 3.17Å; S398-N400 PolarHBondContact O-N 2.74Å; S398-N400 VanDerWaalsContact O-N 3.09Å
399D64.3Low71.9Confident69 Ų6960.2 Ų60.237%0.36935%0.347SS..  trans-60.2116.8173.3-167.8-22000110.2D397 G401 S402D397-D399 PolarHBondContact O-N 3.35Å; D399-G401 PolarHBondContact OD1-N 2.78Å; D399-S402 PolarHBondContact OD1-N 2.71Å
400N52.8Low71.5Confident156 Ų15661.1 Ų61.183%0.83435%0.352SS*.  trans-119.215.6-176.7-15073.2000111.1S398S398-N400 PolarHBondContact O-N 2.74Å; S398-N400 VanDerWaalsContact O-N 3.09Å
401G51Low71.3Confident63 Ų6359.7 Ų59.765%0.64934%0.342SS*.SBendtrans-125.3-50.2-161.200000116.4D399D399-G401 PolarHBondContact OD1-N 2.78Å
402S44.5Very low71.1Confident101 Ų10162.9 Ų62.971%0.70635%0.354SS*.SBendtrans-161.7130.5-173.9-84.20000116.8D399D399-S402 PolarHBondContact OD1-N 2.71Å
403S40.7Very low71Confident99 Ų9962.4 Ų62.469%0.69235%0.352SS*.SBendtrans72.7103.1159.3-159.40000119.2N405S403-N405 VanDerWaalsContact C-N 3.31Å; S403-N405 PolarHBondContact O-N 2.74Å
404R47.8Very low71Confident250 Ų25064.8 Ų64.894%0.94337%0.366SS*.SBendtrans60.8-2.2138.3-64.5-173.8179.5174.41.4121
405N48.2Very low71.1Confident112 Ų11263.6 Ų63.660%0.59936%0.36SS*.  trans-130.8102.5175.6-150.41.4000112.9S403 N407S403-N405 VanDerWaalsContact C-N 3.31Å; S403-N405 PolarHBondContact O-N 2.74Å; N405-N407 PolarHBondContact O-N 3.14Å
406P49.5Very low71.1Confident108 Ų10863.8 Ų63.870%0.70136%0.362SS*.  trans-79.3113.9-172.230.4-33.8000112.7
407N61.5Low71.1Confident58 Ų5867 Ų6731%0.3138%0.382SS..  trans53.679173-62.1-97.8000114.3Y344 M396 N405 V409Y344-N407 PolarHBondContact OH-OD1 2.85Å; M396-N407 HydrophobicContact CE-CB 3.83Å; M396-N407 WeakPolarHBondContact CE-O 3.28Å; N405-N407 PolarHBondContact O-N 3.14Å; N407-V409 PolarHBondContact O-N 2.91Å
408T72.9Confident71.1Confident72 Ų7272.2 Ų72.244%0.44242%0.42SS..  trans-61.3128.7173-52.10000111M396 D397 I410M396-T408 WeakPolarHBondContact CA-O 3.27Å; D397-T408 PolarHBondContact N-O 3.22Å; D397-T408 VanDerWaalsContact N-O 3.09Å; T408-I410 PolarHBondContact O-N 2.78Å
409V81.5Confident71.7Confident52 Ų5272.2 Ų72.232%0.31542%0.421SS..EExtended strand (participates in β ladder)trans-68.8110.5167.8176.60000107.5R306 M396 N407R306-V409 PolarHBondContact NH1-O 2.99Å; M396-V409 HydrophobicContact CE-CB 4.46Å; M396-V409 HydrophobicContact CE-CG2 3.46Å; M396-V409 VanDerWaalsContact CE-CG2 3.46Å; M396-V409 HydrophobicContact CG-CG2 4.43Å; M396-V409 HydrophobicContact SD-CG2 4.44Å; N407-V409 PolarHBondContact O-N 2.91Å
410I82.4Confident72.6Confident21 Ų2173.2 Ų73.211%0.10844%0.439CS..EExtended strand (participates in β ladder)trans-65.7-50.9171.9-60.1177.7000108R306 P333 P343 L395 D397 T408R306-I410 WeakPolarHBondContact CB-O 3.15Å; R306-I410 WeakPolarHBondContact CD-O 3.1Å; R306-I410 WeakPolarHBondContact CG-O 3.23Å; R306-I410 PolarHBondContact NH1-O 3.29Å; P333-I410 HydrophobicContact CG-CG2 3.92Å; P343-I410 HydrophobicContact CB-CD1 4.46Å; L395-I410 HydrophobicContact CB-CB 4.4Å; L395-I410 HydrophobicContact CD2-CB 3.98Å; L395-I410 HydrophobicContact CD2-CD1 4.34Å; L395-I410 HydrophobicContact CD2-CG2 3.75Å; L395-I410 HydrophobicContact CG-CB 3.99Å; L395-I410 HydrophobicContact CG-CD1 4.19Å; L395-I410 HydrophobicContact CG-CG2 4.33Å; L395-I410 WeakPolarHBondContact O-CA 3.37Å; L395-I410 WeakPolarHBondContact O-CB 3.42Å; L395-I410 PolarHBondContact O-N 3.06Å; D397-I410 HydrophobicContact CB-CD1 4Å; D397-I410 HydrophobicContact CB-CG1 4.14Å; T408-I410 PolarHBondContact O-N 2.78Å
411G87.7Confident74.2Confident0 Ų068.2 Ų68.20%043%0.425CS..EExtended strand (participates in β ladder)trans-167.3165.3176.100000114.3L395 M444 S445L395-G411 PolarHBondContact N-O 3.2Å; L395-G411 PolarHBondContact O-N 3.32Å; L395-G411 VanDerWaalsContact O-N 3.17Å; G411-M444 WeakPolarHBondContact O-CE 3.42Å; G411-S445 WeakPolarHBondContact CA-O 3.49Å
412R90.7Very high76Confident67 Ų6768.4 Ų68.425%0.25341%0.413SS..EExtended strand (participates in β ladder)trans-118.9156.7-176.3-178.6157.7175-90.32.5111.6E392 L393 L394 V414 M444 S445 E447E392-R412 HydrophobicContact CG-CG 4.33Å; E392-R412 IonicContact OE1-CZ 2.72Å; E392-R412 VanDerWaalsContact OE1-CZ 3.23Å; E392-R412 IonicContact OE1-NE 3.36Å; E392-R412 PolarHBondContact OE1-NE 2.92Å; E392-R412 IonicContact OE1-NH2 3.87Å; E392-R412 PolarHBondContact OE1-NH2 3.1Å; L393-R412 CarbonylContact O-C 3.48Å; L393-R412 WeakPolarHBondContact O-CA 3.2Å; L394-R412 HydrophobicContact CD2-CB 3.91Å; L394-R412 HydrophobicContact CD2-CG 3.65Å; R412-V414 HydrophobicContact CG-CG2 4.43Å; R412-M444 CarbonylContact O-C 3.48Å; R412-M444 VanDerWaalsContact O-CA 3.28Å; R412-M444 WeakPolarHBondContact O-CA 3.48Å; R412-S445 PolarHBondContact N-O 3.05Å; R412-S445 PolarHBondContact O-N 3.31Å; R412-S445 PolarHBondContact O-OG 3.38Å; R412-S445 VanDerWaalsContact O-OG 3.11Å; R412-E447 WeakPolarHBondContact CB-O 3.45Å; R412-E447 WeakPolarHBondContact CD-O 3.42Å; R412-E447 VanDerWaalsContact CD-OXT 3.24Å; R412-E447 WeakPolarHBondContact CD-OXT 3.36Å; R412-E447 WeakPolarHBondContact CG-O 3.49Å; R412-E447 PolarHBondContact NH1-O 2.95Å; R412-E447 PolarHBondContact NH1-OXT 3.29Å
413L92.9Very high78.2Confident10 Ų1064 Ų645%0.05238%0.383CS..EExtended strand (participates in β ladder)trans-152131.8174.7168.963.5000107.7L311 E392 L393 A423 H442 M444L311-L413 HydrophobicContact CD1-CD2 3.62Å; E392-L413 CarbonylContact C-O 3.59Å; E392-L413 WeakPolarHBondContact CA-O 3.4Å; L393-L413 HydrophobicContact CB-CB 4.42Å; L393-L413 HydrophobicContact CD1-CD2 4.34Å; L393-L413 HydrophobicContact CD1-CG 4.45Å; L393-L413 PolarHBondContact N-O 2.97Å; L393-L413 PolarHBondContact O-N 3.48Å; L413-A423 HydrophobicContact CD1-CB 4.1Å; L413-H442 HydrophobicContact CD1-CB 3.84Å; L413-H442 HydrophobicContact CD2-CB 3.46Å; L413-H442 VanDerWaalsContact CD2-CB 3.46Å; L413-H442 HydrophobicContact CG-CB 4.31Å; L413-M444 HydrophobicContact CB-CE 3.73Å; L413-M444 HydrophobicContact CB-SD 3.69Å; L413-M444 HydrophobicContact CD2-SD 4.1Å
414V93.9Very high80.6Confident50 Ų5059.5 Ų59.530%0.30335%0.352SS..EExtended strand (participates in β ladder)trans-120.5124.6177.1-1760000109.2E392 R412 A419 A423E392-V414 HydrophobicContact CB-CG2 4.41Å; E392-V414 HydrophobicContact CG-CG2 4.31Å; R412-V414 HydrophobicContact CG-CG2 4.43Å; V414-A419 WeakPolarHBondContact O-CB 3.49Å; V414-A423 WeakPolarHBondContact O-CB 3.37Å
415L93.9Very high82.8Confident0 Ų052.1 Ų52.10%033%0.328CS..EExtended strand (participates in β ladder)trans-106.4137.2173.1-64.9160.6000108.5L311 L313 S390 V391 L393 A423 W427L311-L415 HydrophobicContact CD1-CD1 3.83Å; L313-L415 HydrophobicContact CD1-CD1 4Å; L313-L415 HydrophobicContact CD1-CD2 4.37Å; L313-L415 HydrophobicContact CD2-CD1 4.22Å; S390-L415 CarbonylContact C-O 3.5Å; S390-L415 WeakPolarHBondContact CA-O 3.46Å; S390-L415 VanDerWaalsContact CB-O 3.23Å; S390-L415 WeakPolarHBondContact CB-O 3.25Å; V391-L415 HydrophobicContact CB-CB 4.42Å; V391-L415 PolarHBondContact N-O 3.22Å; V391-L415 PolarHBondContact O-N 3.49Å; L393-L415 HydrophobicContact CD1-CD1 3.74Å; L393-L415 HydrophobicContact CD1-CG 4.45Å; L415-A423 HydrophobicContact CD2-CB 3.92Å; L415-W427 HydrophobicContact CB-CE3 3.76Å; L415-W427 HydrophobicContact CB-CZ3 4.03Å
416G91.9Very high85Confident4 Ų446.8 Ų46.84%0.04130%0.3CS..EExtended strand (participates in β ladder)trans168.3174.4-178.700000111.7S418 A419G416-S418 VanDerWaalsContact C-N 3.27Å; G416-S418 PolarHBondContact O-N 2.96Å; G416-A419 WeakPolarHBondContact O-CB 3.49Å; G416-A419 PolarHBondContact O-N 3.15Å; G416-A419 VanDerWaalsContact O-N 3.14Å
417T86.8Confident87.1Confident80 Ų8041.8 Ų41.849%0.49127%0.267SS..THydrogen-bonded Turntrans-58.5-37.1177.742.50000113.2R387R387-T417 WeakPolarHBondContact O-CG2 3.48Å; R387-T417 PolarHBondContact O-OG1 3.49Å
418S84.4Confident88.6Confident122 Ų12246.2 Ų46.285%0.85328%0.279SS*.THydrogen-bonded Turntrans-90.56.4178-50.70000114.6G416G416-S418 VanDerWaalsContact C-N 3.27Å; G416-S418 PolarHBondContact O-N 2.96Å
419A86.9Confident89.6Confident22 Ų2245 Ų4518%0.18227%0.268CS..  trans-74.9138.8179.700000111.4V414 G416 A423 G424V414-A419 WeakPolarHBondContact O-CB 3.49Å; G416-A419 WeakPolarHBondContact O-CB 3.49Å; G416-A419 PolarHBondContact O-N 3.15Å; G416-A419 VanDerWaalsContact O-N 3.14Å; A419-A423 HydrophobicContact CB-CB 4.06Å; A419-G424 VanDerWaalsContact O-CA 3.22Å; A419-G424 WeakPolarHBondContact O-CA 3.15Å
420A81.9Confident90.2Very high91 Ų9142.5 Ų42.575%0.75225%0.253SS*.  trans-86.2160.3177.400000112.4
421G87.3Confident90.6Very high51 Ų5143.8 Ų43.853%0.52626%0.264SS..Hα-helixtrans59.3-145.6173.700000114.4A423 G424 E425G421-A423 PolarHBondContact O-N 3.1Å; G421-A423 VanDerWaalsContact O-N 3.11Å; G421-G424 PolarHBondContact O-N 3.32Å; G421-G424 VanDerWaalsContact O-N 3.12Å; G421-E425 PolarHBondContact O-N 3.49Å; G421-E425 VanDerWaalsContact O-N 3.07Å
422T89Confident90.8Very high67 Ų6748.9 Ų48.941%0.41129%0.291SS..Hα-helixtrans-58.5-28.7-173.861.90000113.5H426 H442T422-H426 WeakPolarHBondContact O-CB 3.36Å; T422-H426 PolarHBondContact O-N 3.02Å; T422-H442 PolarHBondContact O-CE1 3.3Å; T422-H442 PolarHBondContact OG1-ND1 3.49Å
423A90.6Very high90.9Very high8 Ų849.4 Ų49.47%0.06630%0.296CS..Hα-helixtrans-67-47.7177.700000111.7L413 V414 L415 A419 G421 H426 W427L413-A423 HydrophobicContact CD1-CB 4.1Å; V414-A423 WeakPolarHBondContact O-CB 3.37Å; L415-A423 HydrophobicContact CD2-CB 3.92Å; A419-A423 HydrophobicContact CB-CB 4.06Å; G421-A423 PolarHBondContact O-N 3.1Å; G421-A423 VanDerWaalsContact O-N 3.11Å; A423-H426 PolarHBondContact O-N 3.43Å; A423-W427 PolarHBondContact O-N 2.75Å; A423-W427 VanDerWaalsContact O-N 3.08Å
424G91.3Very high90.7Very high4 Ų451.4 Ų51.44%0.04131%0.31CS..Hα-helixtrans-67-38.4174.900000113A419 G421 W427 R428A419-G424 VanDerWaalsContact O-CA 3.22Å; A419-G424 WeakPolarHBondContact O-CA 3.15Å; G421-G424 PolarHBondContact O-N 3.32Å; G421-G424 VanDerWaalsContact O-N 3.12Å; G424-W427 PolarHBondContact O-N 3.19Å; G424-R428 WeakPolarHBondContact O-CB 3.42Å; G424-R428 PolarHBondContact O-N 3.42Å
425E92.6Very high90.6Very high96 Ų9657.4 Ų57.445%0.44933%0.327SS..Hα-helixtrans-62.3-42174.1-69.7171.6-178.200112.4G421 W427 R428 E429G421-E425 PolarHBondContact O-N 3.49Å; G421-E425 VanDerWaalsContact O-N 3.07Å; E425-W427 VanDerWaalsContact C-N 3.35Å; E425-R428 PolarHBondContact O-N 2.93Å; E425-E429 WeakPolarHBondContact O-CB 3.06Å; E425-E429 PolarHBondContact O-N 3.41Å
426H94.4Very high90.6Very high0 Ų063.6 Ų63.60%035%0.35CS..Hα-helixtrans-66.1-38.5176.2-165.3-170.4000111.8L311 L313 T422 A423 I430 I438 A439 K440 H442L311-H426 PolarHBondContact O-CE1 3Å; L313-H426 VanDerWaalsContact CG-CE1 3.46Å; L313-H426 WeakPolarHBondContact CG-CE1 3.46Å; L313-H426 PolarHBondContact N-NE2 3.45Å; T422-H426 WeakPolarHBondContact O-CB 3.36Å; T422-H426 PolarHBondContact O-N 3.02Å; A423-H426 PolarHBondContact O-N 3.43Å; H426-I430 PolarHBondContact O-N 3.02Å; H426-I438 PolarHBondContact CE1-O 3.22Å; H426-I438 WeakPolarHBondContact NE2-CA 3.11Å; H426-I438 WeakPolarHBondContact NE2-CB 3.48Å; H426-I438 VanDerWaalsContact NE2-CG2 3.25Å; H426-I438 WeakPolarHBondContact NE2-CG2 3.39Å; H426-I438 PolarHBondContact NE2-O 3.46Å; H426-A439 PolarHBondContact NE2-N 3.14Å; H426-K440 HydrophobicContact CB-CD 3.93Å; H426-H442 AromaticContact CG-CE1 3.99Å; H426-H442 AromaticContact CG-NE2 3.75Å; H426-H442 AromaticContact ND1-CE1 3.56Å; H426-H442 AromaticContact ND1-NE2 2.89Å; H426-H442 PolarHBondContact ND1-NE2 3.49Å
427W94.7Very high90.7Very high3 Ų367.9 Ų67.91%0.01137%0.369CS..Hα-helixtrans-66.4-41.2176-163.3-99.2000112.4L313 L322 L386 T389 V391 L415 A423 G424 E425 I430 C431L313-W427 HydrophobicContact CD1-CE3 4.35Å; L322-W427 HydrophobicContact CD2-CH2 3.55Å; L322-W427 HydrophobicContact CD2-CZ3 3.87Å; L386-W427 HydrophobicContact CB-CZ2 4.1Å; L386-W427 HydrophobicContact CD1-CZ2 4.37Å; L386-W427 HydrophobicContact CD2-CH2 4.1Å; L386-W427 HydrophobicContact CD2-CZ2 3.76Å; L386-W427 HydrophobicContact CG-CZ2 4.3Å; T389-W427 HydrophobicContact CG2-CH2 4Å; T389-W427 HydrophobicContact CG2-CZ2 4.03Å; T389-W427 VanDerWaalsContact O-CZ2 3.28Å; T389-W427 WeakPolarHBondContact O-CZ2 3.27Å; V391-W427 HydrophobicContact CB-CZ3 4.43Å; V391-W427 HydrophobicContact CG2-CH2 3.96Å; V391-W427 HydrophobicContact CG2-CZ3 3.98Å; L415-W427 HydrophobicContact CB-CE3 3.76Å; L415-W427 HydrophobicContact CB-CZ3 4.03Å; A423-W427 PolarHBondContact O-N 2.75Å; A423-W427 VanDerWaalsContact O-N 3.08Å; G424-W427 PolarHBondContact O-N 3.19Å; E425-W427 VanDerWaalsContact C-N 3.35Å; W427-I430 HydrophobicContact CD2-CD1 4.44Å; W427-I430 HydrophobicContact CE3-CD1 4.07Å; W427-I430 HydrophobicContact CZ3-CD1 4.44Å; W427-I430 WeakPolarHBondContact O-CG1 3.33Å; W427-C431 PolarHBondContact O-N 3.42Å; W427-C431 PolarHBondContact O-SG 3.19Å
428R92.7Very high91.1Very high151 Ų15164.6 Ų64.657%0.5735%0.348SS*.Hα-helixtrans-64-46.5175.3-162.9-176-57.3124.67.1111.3G424 E425 I430 C431 D432G424-R428 WeakPolarHBondContact O-CB 3.42Å; G424-R428 PolarHBondContact O-N 3.42Å; E425-R428 PolarHBondContact O-N 2.93Å; R428-I430 VanDerWaalsContact C-N 3.3Å; R428-I430 PolarHBondContact O-N 3.46Å; R428-C431 WeakPolarHBondContact O-CA 3.46Å; R428-C431 WeakPolarHBondContact O-CB 3.27Å; R428-C431 PolarHBondContact O-N 3.02Å; R428-D432 VanDerWaalsContact O-CG 3.26Å; R428-D432 PolarHBondContact O-N 3.15Å
429E93.8Very high91.7Very high45 Ų4561.5 Ų61.521%0.2133%0.331CS..Hα-helixtrans-62.8-32.8-176.1-158.3-173.8154.500113.3E425 H433 R436 I438 K440E425-E429 WeakPolarHBondContact O-CB 3.06Å; E425-E429 PolarHBondContact O-N 3.41Å; E429-H433 WeakPolarHBondContact O-CB 3.49Å; E429-H433 PolarHBondContact O-N 3.1Å; E429-H433 PolarHBondContact O-ND1 3.18Å; E429-R436 IonicContact OE1-NH1 3.91Å; E429-I438 HydrophobicContact CB-CD1 4.02Å; E429-I438 HydrophobicContact CG-CD1 3.58Å; E429-K440 WeakPolarHBondContact OE2-CE 3.23Å; E429-K440 IonicContact OE2-NZ 2.63Å; E429-K440 PolarHBondContact OE2-NZ 3.49Å
430I94.1Very high92Very high0 Ų063 Ų630%033%0.333CS..Hα-helixtrans-75.9-23.6172.965.5170000113.7L313 L322 L386 H426 W427 R428 I438L313-I430 HydrophobicContact CB-CD1 3.88Å; L313-I430 HydrophobicContact CB-CG2 3.7Å; L313-I430 HydrophobicContact CD1-CD1 3.97Å; L322-I430 HydrophobicContact CD1-CD1 3.86Å; L386-I430 HydrophobicContact CD1-CD1 4.18Å; L386-I430 HydrophobicContact CD1-CG1 4.39Å; H426-I430 PolarHBondContact O-N 3.02Å; W427-I430 HydrophobicContact CD2-CD1 4.44Å; W427-I430 HydrophobicContact CE3-CD1 4.07Å; W427-I430 HydrophobicContact CZ3-CD1 4.44Å; W427-I430 WeakPolarHBondContact O-CG1 3.33Å; R428-I430 VanDerWaalsContact C-N 3.3Å; R428-I430 PolarHBondContact O-N 3.46Å; I430-I438 HydrophobicContact CG2-CB 4.18Å; I430-I438 HydrophobicContact CG2-CD1 4.09Å; I430-I438 HydrophobicContact CG2-CG1 4.23Å
431C90.3Very high92.5Very high49 Ų4962.3 Ų62.333%0.33131%0.311SS..Hα-helixtrans-73.2-43171.1-63.20000110.3L386 W427 R428 H433L386-C431 VanDerWaalsContact CD1-SG 3.59Å; W427-C431 PolarHBondContact O-N 3.42Å; W427-C431 PolarHBondContact O-SG 3.19Å; R428-C431 WeakPolarHBondContact O-CA 3.46Å; R428-C431 WeakPolarHBondContact O-CB 3.27Å; R428-C431 PolarHBondContact O-N 3.02Å; C431-H433 VanDerWaalsContact C-N 3.33Å
432D92.3Very high92.7Very high106 Ų10659.9 Ų59.957%0.56729%0.286SS*.Hα-helixtrans-70.7-28.2-179.8-58.7-23.2000112.4R428 P434R428-D432 VanDerWaalsContact O-CG 3.26Å; R428-D432 PolarHBondContact O-N 3.15Å; D432-P434 WeakPolarHBondContact O-CD 3.29Å
433H92.3Very high92.7Very high78 Ų7860.6 Ų60.636%0.36129%0.29SS..SBendtrans-123.869.1-178.3-53.387.5000112.4E429 C431 R436 I438E429-H433 WeakPolarHBondContact O-CB 3.49Å; E429-H433 PolarHBondContact O-N 3.1Å; E429-H433 PolarHBondContact O-ND1 3.18Å; C431-H433 VanDerWaalsContact C-N 3.33Å; H433-R436 HydrophobicContact CB-CB 3.79Å; H433-R436 HydrophobicContact CB-CG 4.46Å; H433-R436 WeakPolarHBondContact O-CB 3.39Å; H433-R436 PolarHBondContact O-N 3.28Å; H433-R436 VanDerWaalsContact O-N 3.1Å; H433-I438 HydrophobicContact CB-CD1 4.4Å
434P89.3Confident92.5Very high52 Ų5260.4 Ų60.434%0.33829%0.288SS..THydrogen-bonded Turntrans-60.6144.1178.926.3-34.7000111.9Y315 D432 R436Y315-P434 CarbonylContact O-C 3.31Å; Y315-P434 WeakPolarHBondContact O-CA 3.13Å; D432-P434 WeakPolarHBondContact O-CD 3.29Å; P434-R436 PolarHBondContact O-N 3.5Å
435R91.6Very high92.1Very high177 Ų17762.6 Ų62.667%0.66830%0.303SS*.THydrogen-bonded Turntrans67.4-2-170.3-54.9171.9-67.5-157.8-0.4115.5C314 Y315 Q316C314-R435 VanDerWaalsContact SG-C 3.6Å; Y315-R435 PolarHBondContact O-N 3.49Å; Q316-R435 HydrophobicContact CB-CG 4.5Å; Q316-R435 HydrophobicContact CG-CG 4.05Å
436R93.8Very high90.9Very high129 Ų12964.9 Ų64.949%0.48731%0.314SS..  trans-82.4124.1172.7-166.6179.4177.9-169.2-3109.8E429 H433 P434 I438E429-R436 IonicContact OE1-NH1 3.91Å; H433-R436 HydrophobicContact CB-CB 3.79Å; H433-R436 HydrophobicContact CB-CG 4.46Å; H433-R436 WeakPolarHBondContact O-CB 3.39Å; H433-R436 PolarHBondContact O-N 3.28Å; H433-R436 VanDerWaalsContact O-N 3.1Å; P434-R436 PolarHBondContact O-N 3.5Å; R436-I438 HydrophobicContact CB-CD1 4.45Å; R436-I438 HydrophobicContact CB-CG1 4.22Å; R436-I438 HydrophobicContact CG-CD1 4.31Å; R436-I438 HydrophobicContact CG-CG1 3.89Å; R436-I438 PolarHBondContact O-N 3.13Å
437Q94.6Very high88.8Confident94 Ų9473.9 Ų73.944%0.43936%0.356SS..  trans-78.9115.1169.2-168.171.353.200108.9S312 L313 C314S312-Q437 WeakPolarHBondContact OG-CG 3.2Å; S312-Q437 PolarHBondContact OG-NE2 2.9Å; L313-Q437 PolarHBondContact O-NE2 3.31Å; C314-Q437 HydrophobicContact CB-CB 4.43Å
438I95.6Very high88.5Confident11 Ų1177.5 Ų77.56%0.05637%0.373CS..EExtended strand (participates in β ladder)trans-118.3130.6-175.3-52.9-171.5000108.9S312 L313 H426 E429 I430 H433 R436S312-I438 CarbonylContact C-O 3.58Å; S312-I438 WeakPolarHBondContact CA-O 3.17Å; S312-I438 VanDerWaalsContact OG-C 3.29Å; S312-I438 PolarHBondContact OG-O 3.41Å; L313-I438 PolarHBondContact N-O 2.85Å; L313-I438 PolarHBondContact O-N 3.39Å; H426-I438 PolarHBondContact CE1-O 3.22Å; H426-I438 WeakPolarHBondContact NE2-CA 3.11Å; H426-I438 WeakPolarHBondContact NE2-CB 3.48Å; H426-I438 VanDerWaalsContact NE2-CG2 3.25Å; H426-I438 WeakPolarHBondContact NE2-CG2 3.39Å; H426-I438 PolarHBondContact NE2-O 3.46Å; E429-I438 HydrophobicContact CB-CD1 4.02Å; E429-I438 HydrophobicContact CG-CD1 3.58Å; I430-I438 HydrophobicContact CG2-CB 4.18Å; I430-I438 HydrophobicContact CG2-CD1 4.09Å; I430-I438 HydrophobicContact CG2-CG1 4.23Å; H433-I438 HydrophobicContact CB-CD1 4.4Å; R436-I438 HydrophobicContact CB-CD1 4.45Å; R436-I438 HydrophobicContact CB-CG1 4.22Å; R436-I438 HydrophobicContact CG-CD1 4.31Å; R436-I438 HydrophobicContact CG-CG1 3.89Å; R436-I438 PolarHBondContact O-N 3.13Å
439A95.8Very high88.3Confident58 Ų5873.6 Ų73.648%0.47936%0.363SS..EExtended strand (participates in β ladder)trans-118.6128.4-179.200000111.9L310 L311 L327 H426L310-A439 HydrophobicContact CD1-CB 4.49Å; L311-A439 CarbonylContact O-C 3.53Å; L311-A439 VanDerWaalsContact O-CA 3.26Å; L311-A439 WeakPolarHBondContact O-CA 3.46Å; L327-A439 HydrophobicContact CD1-CB 4.42Å; H426-A439 PolarHBondContact NE2-N 3.14Å
440K93.6Very high88Confident54 Ų5475.2 Ų75.224%0.23537%0.371CS..EExtended strand (participates in β ladder)trans-140.5148.3179.4-67.9-168.4-178177.10112L310 L311 H426 E429 H442L310-K440 WeakPolarHBondContact CD1-O 3.35Å; L311-K440 PolarHBondContact N-O 3.37Å; L311-K440 PolarHBondContact O-N 3.39Å; H426-K440 HydrophobicContact CB-CD 3.93Å; E429-K440 WeakPolarHBondContact OE2-CE 3.23Å; E429-K440 IonicContact OE2-NZ 2.63Å; E429-K440 PolarHBondContact OE2-NZ 3.49Å; K440-H442 PolarHBondContact O-CD2 3.43Å
441W92.8Very high87.7Confident76 Ų7679.6 Ų79.629%0.28839%0.393SS..EExtended strand (participates in β ladder)trans-80.1139.6168.1-74.9102.1000110E308 L310 K328 R330E308-W441 HydrophobicContact CB-CE3 3.92Å; E308-W441 HydrophobicContact CB-CZ3 4.29Å; L310-W441 HydrophobicContact CB-CD2 3.82Å; L310-W441 HydrophobicContact CB-CE3 3.68Å; L310-W441 HydrophobicContact CB-CH2 3.82Å; L310-W441 HydrophobicContact CB-CZ2 3.95Å; L310-W441 HydrophobicContact CB-CZ3 3.67Å; L310-W441 HydrophobicContact CD1-CD2 4.14Å; L310-W441 HydrophobicContact CD1-CG 4.12Å; L310-W441 HydrophobicContact CD2-CZ2 4.1Å; L310-W441 HydrophobicContact CG-CD2 4.46Å; L310-W441 HydrophobicContact CG-CZ2 4.49Å; K328-W441 HydrophobicContact CD-CH2 4.33Å; K328-W441 HydrophobicContact CG-CH2 3.94Å; K328-W441 HydrophobicContact CG-CZ2 4.46Å; R330-W441 HydrophobicContact CB-CH2 4.18Å; R330-W441 HydrophobicContact CB-CZ3 4.31Å; R330-W441 HydrophobicContact CG-CE3 4.33Å; R330-W441 HydrophobicContact CG-CH2 3.7Å; R330-W441 HydrophobicContact CG-CZ3 3.59Å
442H91.2Very high87.5Confident0 Ų081.5 Ų81.50%040%0.397CS..EExtended strand (participates in β ladder)trans-129.7137.4176.2-64-77.1000110.1E308 L309 L413 T422 H426 K440E308-H442 CarbonylContact C-O 3.49Å; E308-H442 WeakPolarHBondContact CA-O 3.35Å; L309-H442 PolarHBondContact N-O 3.48Å; L309-H442 PolarHBondContact O-N 3.49Å; L413-H442 HydrophobicContact CD1-CB 3.84Å; L413-H442 HydrophobicContact CD2-CB 3.46Å; L413-H442 VanDerWaalsContact CD2-CB 3.46Å; L413-H442 HydrophobicContact CG-CB 4.31Å; T422-H442 PolarHBondContact O-CE1 3.3Å; T422-H442 PolarHBondContact OG1-ND1 3.49Å; H426-H442 AromaticContact CG-CE1 3.99Å; H426-H442 AromaticContact CG-NE2 3.75Å; H426-H442 AromaticContact ND1-CE1 3.56Å; H426-H442 AromaticContact ND1-NE2 2.89Å; H426-H442 PolarHBondContact ND1-NE2 3.49Å; K440-H442 PolarHBondContact O-CD2 3.43Å
443T88.8Confident87.2Confident82 Ų8279.9 Ų79.950%0.50339%0.385SS..EExtended strand (participates in β ladder)trans-81.8135.3172.9-50.10000109.7G305G305-T443 VanDerWaalsContact CA-CG2 3.44Å
444M87.3Confident86.8Confident4 Ų480 Ų802%0.0239%0.387CS..PPolyproline II helixtrans-85.8133.8-178.9-53.6-63.6-6800111.6G305 R306 G307 L309 L395 G411 R412 L413G305-M444 WeakPolarHBondContact CA-O 3.29Å; R306-M444 HydrophobicContact CB-CB 4.07Å; R306-M444 PolarHBondContact N-O 2.83Å; G307-M444 WeakPolarHBondContact O-CG 3.4Å; G307-M444 PolarHBondContact O-N 3.4Å; L309-M444 HydrophobicContact CB-SD 3.66Å; L309-M444 HydrophobicContact CD2-CE 4.43Å; L309-M444 HydrophobicContact CD2-SD 4.1Å; L395-M444 HydrophobicContact CB-CE 4.02Å; G411-M444 WeakPolarHBondContact O-CE 3.42Å; R412-M444 CarbonylContact O-C 3.48Å; R412-M444 VanDerWaalsContact O-CA 3.28Å; R412-M444 WeakPolarHBondContact O-CA 3.48Å; L413-M444 HydrophobicContact CB-CE 3.73Å; L413-M444 HydrophobicContact CB-SD 3.69Å; L413-M444 HydrophobicContact CD2-SD 4.1Å
445S82.9Confident86.6Confident50 Ų5082.2 Ų82.235%0.3539%0.391SS..BIsolated β-bridgetrans-84.2169.3175.2600000113.3R306 G411 R412 E447R306-S445 WeakPolarHBondContact CD-O 3.32Å; G411-S445 WeakPolarHBondContact CA-O 3.49Å; R412-S445 PolarHBondContact N-O 3.05Å; R412-S445 PolarHBondContact O-N 3.31Å; R412-S445 PolarHBondContact O-OG 3.38Å; R412-S445 VanDerWaalsContact O-OG 3.11Å; S445-E447 PolarHBondContact OG-O 3.47Å
446E66.4Low86.2Confident144 Ų14474.3 Ų74.367%0.67337%0.368SS*.  trans-86.3-38.4169.3177141.3-114.800112.7R306R306-E446 VanDerWaalsContact CD-CA 3.49Å; R306-E446 IonicContact CZ-OE1 3.71Å; R306-E446 IonicContact NE-OE1 2.76Å; R306-E446 PolarHBondContact NE-OE1 2.88Å; R306-E446 IonicContact NH2-OE1 2.76Å; R306-E446 PolarHBondContact NH2-OE1 3.26Å
447E51.9Low85.5Confident189 Ų18969.3 Ų69.388%0.88336%0.357SS*.  trans-81.30177.7-64.7-172.9157.700114.3R412 S445R412-E447 WeakPolarHBondContact CB-O 3.45Å; R412-E447 WeakPolarHBondContact CD-O 3.42Å; R412-E447 VanDerWaalsContact CD-OXT 3.24Å; R412-E447 WeakPolarHBondContact CD-OXT 3.36Å; R412-E447 WeakPolarHBondContact CG-O 3.49Å; R412-E447 PolarHBondContact NH1-O 2.95Å; R412-E447 PolarHBondContact NH1-OXT 3.29Å; S445-E447 PolarHBondContact OG-O 3.47Å

Retrieved 447 of 447 residues in 208 ms (Link to these results)