A0A2K5ULD7_MACFA Loading...

CCN family member 3

AlphaFold DB , UniProt , Accession A0A2K5ULD7, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene CCN3, Length 357 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
1M45.1Very low48.6Very low237 Ų237124.6 Ų124.6100%1.16769%0.688SS**  0600-66.3161.381.700111.1
2Q44.8Very low49.4Very low175 Ų175129.1 Ų129.182%0.81869%0.687SS**  trans-134-5.6-178.1-81.4178.8-19.300114.7
3S43.3Very low50.1Low99 Ų99130.5 Ų130.569%0.69268%0.683SS**Hα-helixtrans-82.3-21.2-176.1-167.70000114
4V47.6Very low51Low121 Ų121130.5 Ų130.573%0.73368%0.678SS**Hα-helixtrans-87.4-21.1-172.1-171.40000113.3T7V4-T7 PolarHBondContact O-OG1 3.34Å
5Q48.4Very low52Low150 Ų150126.9 Ų126.970%0.70167%0.667SS**Hα-helixtrans-79.8-28.6179-84.3175.9-28.300113.4F9Q5-F9 PolarHBondContact O-N 3.14Å
6S46.8Very low53.2Low89 Ų89125.6 Ų125.662%0.62266%0.66SS**Hα-helixtrans-75.2-35.5-176.1-154.10000112.6C10S6-C10 PolarHBondContact O-N 3.3Å
7T49Very low54.2Low81 Ų81123 Ų12350%0.49765%0.654SS.*Hα-helixtrans-70.1-36.5177.653.40000112.4V4 C10 L11V4-T7 PolarHBondContact O-OG1 3.34Å; T7-C10 PolarHBondContact O-N 2.93Å; T7-L11 VanDerWaalsContact O-CD1 3.27Å; T7-L11 WeakPolarHBondContact O-CD1 3.29Å; T7-L11 PolarHBondContact O-N 2.71Å; T7-L11 VanDerWaalsContact O-N 3.15Å
8S52.2Low55.3Low76 Ų76122.1 Ų122.153%0.53165%0.648SS.*Hα-helixtrans-67-39.1176.8-176.70000112.9R12S8-R12 WeakPolarHBondContact O-CB 3.42Å; S8-R12 PolarHBondContact O-N 3.43Å; S8-R12 VanDerWaalsContact O-N 3.11Å
9F47.9Very low56.3Low136 Ų136119.1 Ų119.160%0.59664%0.635SS**Hα-helixtrans-68.2-34.4176.5-104.9-86.9000113.1Q5 K13Q5-F9 PolarHBondContact O-N 3.14Å; F9-K13 PolarHBondContact O-N 3.47Å; F9-K13 VanDerWaalsContact O-N 3.16Å
10C55.1Low57.2Low82 Ų82120.2 Ų120.255%0.55463%0.634SS**Hα-helixtrans-68.1-47.3175.5-1140000111.9S6 T7 R12 K13 Q14S6-C10 PolarHBondContact O-N 3.3Å; T7-C10 PolarHBondContact O-N 2.93Å; C10-R12 VanDerWaalsContact C-N 3.29Å; C10-R12 PolarHBondContact O-N 3.1Å; C10-K13 PolarHBondContact O-N 3.23Å; C10-Q14 WeakPolarHBondContact O-CB 3.49Å; C10-Q14 PolarHBondContact O-N 3.36Å
11L54.4Low58Low125 Ų125119.4 Ų119.465%0.65463%0.63SS**Hα-helixtrans-60.2-38.4176.1-95.393.7000112.2T7 Q14 C15T7-L11 VanDerWaalsContact O-CD1 3.27Å; T7-L11 WeakPolarHBondContact O-CD1 3.29Å; T7-L11 PolarHBondContact O-N 2.71Å; T7-L11 VanDerWaalsContact O-N 3.15Å; L11-Q14 PolarHBondContact O-N 3.31Å; L11-C15 VanDerWaalsContact O-CB 3.25Å; L11-C15 WeakPolarHBondContact O-CB 2.98Å; L11-C15 PolarHBondContact O-N 3.22Å
12R57.6Low59.2Low178 Ų178113.3 Ų113.367%0.67260%0.601SS**Hα-helixtrans-68.5-40180-163.5174.2-178-174.80.4112.6S8 C10 L16S8-R12 WeakPolarHBondContact O-CB 3.42Å; S8-R12 PolarHBondContact O-N 3.43Å; S8-R12 VanDerWaalsContact O-N 3.11Å; C10-R12 VanDerWaalsContact C-N 3.29Å; C10-R12 PolarHBondContact O-N 3.1Å; R12-L16 WeakPolarHBondContact O-CD1 3.48Å; R12-L16 WeakPolarHBondContact O-CG 3.34Å; R12-L16 PolarHBondContact O-N 3.38Å; R12-L16 VanDerWaalsContact O-N 3.09Å
13K59.4Low60.3Low148 Ų148110.6 Ų110.664%0.64359%0.592SS**Hα-helixtrans-67.9-39.2174.1-81.3-176.2173.8-176.30112.3F9 C10 L16 C17F9-K13 PolarHBondContact O-N 3.47Å; F9-K13 VanDerWaalsContact O-N 3.16Å; C10-K13 PolarHBondContact O-N 3.23Å; K13-L16 PolarHBondContact O-N 3.48Å; K13-C17 PolarHBondContact O-N 3.48Å
14Q62.3Low61.4Low130 Ų130111.5 Ų111.561%0.60759%0.585SS**Hα-helixtrans-70-37179.6-155.6157.310.400111.8C10 L11 C17 L18C10-Q14 WeakPolarHBondContact O-CB 3.49Å; C10-Q14 PolarHBondContact O-N 3.36Å; L11-Q14 PolarHBondContact O-N 3.31Å; Q14-C17 PolarHBondContact O-N 3.21Å; Q14-L18 WeakPolarHBondContact O-CB 3.18Å; Q14-L18 WeakPolarHBondContact O-CG 2.95Å; Q14-L18 PolarHBondContact O-N 2.96Å
15C65.9Low62Low76 Ų76111 Ų11151%0.51458%0.578SS.*Hα-helixtrans-65.9-42.3172.7-162.20000111.9L11 L18 T19L11-C15 VanDerWaalsContact O-CB 3.25Å; L11-C15 WeakPolarHBondContact O-CB 2.98Å; L11-C15 PolarHBondContact O-N 3.22Å; C15-L18 PolarHBondContact O-N 2.04Å; C15-T19 WeakPolarHBondContact O-CG2 3.06Å; C15-T19 PolarHBondContact O-N 3.39Å; C15-T19 PolarHBondContact O-OG1 3.26Å
16L71.3Confident62.5Low107 Ų107109.1 Ų109.156%0.5657%0.572SS**Hα-helixtrans-64.7-37.5175.2-76.8164.3000113.1R12 K13 T19 F20R12-L16 WeakPolarHBondContact O-CD1 3.48Å; R12-L16 WeakPolarHBondContact O-CG 3.34Å; R12-L16 PolarHBondContact O-N 3.38Å; R12-L16 VanDerWaalsContact O-N 3.09Å; K13-L16 PolarHBondContact O-N 3.48Å; L16-T19 WeakPolarHBondContact CA-OG1 3.46Å; L16-T19 PolarHBondContact O-OG1 3.22Å; L16-F20 WeakPolarHBondContact O-CB 3.47Å; L16-F20 PolarHBondContact O-N 2.69Å
17C70.4Confident62.9Low81 Ų81107 Ų10755%0.54756%0.564SS.*Hα-helixtrans-67.3-40173-82.10000112.1K13 Q14 F20 L21K13-C17 PolarHBondContact O-N 3.48Å; Q14-C17 PolarHBondContact O-N 3.21Å; C17-F20 PolarHBondContact O-N 3.4Å; C17-L21 WeakPolarHBondContact O-CB 3.17Å; C17-L21 WeakPolarHBondContact O-CG 3.3Å; C17-L21 PolarHBondContact O-N 3.24Å
18L73.4Confident63Low107 Ų107109.9 Ų109.956%0.5657%0.572SS**Hα-helixtrans-65.9-40.7176.8-79.9161.2000111.6Q14 C15 L21 L22Q14-L18 WeakPolarHBondContact O-CB 3.18Å; Q14-L18 WeakPolarHBondContact O-CG 2.95Å; Q14-L18 PolarHBondContact O-N 2.96Å; C15-L18 PolarHBondContact O-N 2.04Å; L18-L21 PolarHBondContact O-N 3.34Å; L18-L22 WeakPolarHBondContact O-CB 3.21Å; L18-L22 PolarHBondContact O-N 3.21Å
19T74.4Confident62.9Low64 Ų64111.2 Ų111.239%0.39358%0.576SS.*Hα-helixtrans-66.8-39.9174.357.60000111.8C15 L16 L22 L23C15-T19 WeakPolarHBondContact O-CG2 3.06Å; C15-T19 PolarHBondContact O-N 3.39Å; C15-T19 PolarHBondContact O-OG1 3.26Å; L16-T19 WeakPolarHBondContact CA-OG1 3.46Å; L16-T19 PolarHBondContact O-OG1 3.22Å; T19-L22 PolarHBondContact O-N 3.35Å; T19-L23 WeakPolarHBondContact O-CB 3.31Å; T19-L23 VanDerWaalsContact O-CD1 3.31Å; T19-L23 WeakPolarHBondContact O-CD1 2.98Å; T19-L23 PolarHBondContact O-N 3.1Å
20F73.8Confident62.8Low141 Ų141108.3 Ų108.362%0.61858%0.577SS**Hα-helixtrans-65.6-39.9176.8-142.5-89.4000112.2L16 C17 L23 H24L16-F20 WeakPolarHBondContact O-CB 3.47Å; L16-F20 PolarHBondContact O-N 2.69Å; C17-F20 PolarHBondContact O-N 3.4Å; F20-L23 PolarHBondContact O-N 2.79Å; F20-H24 AromaticContact CD1-CD2 3.9Å; F20-H24 AromaticContact CE1-CD2 3.93Å; F20-H24 WeakPolarHBondContact O-CB 3.38Å; F20-H24 PolarHBondContact O-N 3.34Å
21L74.1Confident62.5Low105 Ų105108.3 Ų108.355%0.5558%0.583SS.*Hα-helixtrans-64.4-41.5171.7-83161000111.6C17 L18 H24 L25C17-L21 WeakPolarHBondContact O-CB 3.17Å; C17-L21 WeakPolarHBondContact O-CG 3.3Å; C17-L21 PolarHBondContact O-N 3.24Å; L18-L21 PolarHBondContact O-N 3.34Å; L21-H24 PolarHBondContact O-N 3.09Å; L21-L25 WeakPolarHBondContact O-CB 3.48Å; L21-L25 WeakPolarHBondContact O-CD1 3.47Å; L21-L25 WeakPolarHBondContact O-CG 3.31Å; L21-L25 PolarHBondContact O-N 3.48Å
22L71.3Confident62.2Low108 Ų108107.6 Ų107.657%0.56559%0.585SS**Hα-helixtrans-64.1-42175.5-137.196.7000111.4L18 T19 L25 L26L18-L22 WeakPolarHBondContact O-CB 3.21Å; L18-L22 PolarHBondContact O-N 3.21Å; T19-L22 PolarHBondContact O-N 3.35Å; L22-L25 PolarHBondContact O-N 2.96Å; L22-L26 HydrophobicContact CD2-CD1 4.23Å; L22-L26 VanDerWaalsContact O-CB 3.29Å; L22-L26 WeakPolarHBondContact O-CB 3.5Å; L22-L26 WeakPolarHBondContact O-CD1 3.42Å; L22-L26 WeakPolarHBondContact O-CG 3.2Å; L22-L26 PolarHBondContact O-N 3.34Å
23L68.3Low62Low119 Ų119106.4 Ų106.462%0.62359%0.586SS**Hα-helixtrans-66-37.3175.2-94128000111.9T19 F20 G27T19-L23 WeakPolarHBondContact O-CB 3.31Å; T19-L23 VanDerWaalsContact O-CD1 3.31Å; T19-L23 WeakPolarHBondContact O-CD1 2.98Å; T19-L23 PolarHBondContact O-N 3.1Å; F20-L23 PolarHBondContact O-N 2.79Å; L23-G27 PolarHBondContact O-N 3.07Å
24H64.9Low62.1Low117 Ų117109.5 Ų109.554%0.54259%0.594SS.*Hα-helixtrans-67-42.3172.5-110-68.9000112.2F20 L21 G27 Q28F20-H24 AromaticContact CD1-CD2 3.9Å; F20-H24 AromaticContact CE1-CD2 3.93Å; F20-H24 WeakPolarHBondContact O-CB 3.38Å; F20-H24 PolarHBondContact O-N 3.34Å; L21-H24 PolarHBondContact O-N 3.09Å; H24-G27 PolarHBondContact O-N 3.09Å; H24-Q28 WeakPolarHBondContact O-CG 3.42Å; H24-Q28 PolarHBondContact O-N 3.23Å
25L60.3Low62.3Low112 Ų112105.5 Ų105.559%0.58658%0.58SS**Hα-helixtrans-64.3-43.4175-82.8155.6000111.2L21 L22 G27 Q28 V29L21-L25 WeakPolarHBondContact O-CB 3.48Å; L21-L25 WeakPolarHBondContact O-CD1 3.47Å; L21-L25 WeakPolarHBondContact O-CG 3.31Å; L21-L25 PolarHBondContact O-N 3.48Å; L22-L25 PolarHBondContact O-N 2.96Å; L25-G27 VanDerWaalsContact C-N 3.33Å; L25-G27 PolarHBondContact O-N 2.77Å; L25-Q28 PolarHBondContact O-N 2.89Å; L25-V29 VanDerWaalsContact O-CG2 3.3Å; L25-V29 WeakPolarHBondContact O-CG2 3.49Å; L25-V29 PolarHBondContact O-N 3.2Å; L25-V29 VanDerWaalsContact O-N 3.09Å
26L59.5Low62.6Low109 Ų109105.3 Ų105.357%0.57158%0.578SS**Hα-helixtrans-65.5-35.8174.3-72.1165.7000111.9L22 V29 A30L22-L26 HydrophobicContact CD2-CD1 4.23Å; L22-L26 VanDerWaalsContact O-CB 3.29Å; L22-L26 WeakPolarHBondContact O-CB 3.5Å; L22-L26 WeakPolarHBondContact O-CD1 3.42Å; L22-L26 WeakPolarHBondContact O-CG 3.2Å; L22-L26 PolarHBondContact O-N 3.34Å; L26-V29 PolarHBondContact O-N 2.69Å; L26-A30 PolarHBondContact O-N 3.18Å
27G55.5Low62.3Low44 Ų44106.1 Ų106.145%0.45459%0.59SS.*Hα-helixtrans-67.5-32.8173.500000113.7L23 H24 L25L23-G27 PolarHBondContact O-N 3.07Å; H24-G27 PolarHBondContact O-N 3.09Å; L25-G27 VanDerWaalsContact C-N 3.33Å; L25-G27 PolarHBondContact O-N 2.77Å
28Q51.8Low62.4Low143 Ų143110 Ų11067%0.66860%0.6SS**Hα-helixtrans-72.3-33.1173.7-69.3-88.4-50.400112H24 L25 A30 A31H24-Q28 WeakPolarHBondContact O-CG 3.42Å; H24-Q28 PolarHBondContact O-N 3.23Å; L25-Q28 PolarHBondContact O-N 2.89Å; Q28-A30 VanDerWaalsContact C-N 3.34Å; Q28-A31 PolarHBondContact O-N 2.89Å
29V49.1Very low62.4Low103 Ų103108 Ų10862%0.62459%0.594SS**Hα-helixtrans-72.5-26.4175.7177.50000112.1L25 L26 A31 T32L25-V29 VanDerWaalsContact O-CG2 3.3Å; L25-V29 WeakPolarHBondContact O-CG2 3.49Å; L25-V29 PolarHBondContact O-N 3.2Å; L25-V29 VanDerWaalsContact O-N 3.09Å; L26-V29 PolarHBondContact O-N 2.69Å; V29-A31 VanDerWaalsContact C-N 3.27Å; V29-A31 PolarHBondContact O-N 3.21Å; V29-T32 PolarHBondContact O-OG1 3.1Å
30A46.2Very low62.1Low75 Ų75107.9 Ų107.962%0.6259%0.594SS**THydrogen-bonded Turntrans-74.1-13.8175.200000113.9L26 Q28L26-A30 PolarHBondContact O-N 3.18Å; Q28-A30 VanDerWaalsContact C-N 3.34Å
31A48.5Very low61.7Low82 Ų82105.4 Ų105.468%0.67861%0.609SS**THydrogen-bonded Turntrans-89.48.3-177.500000114.5Q28 V29Q28-A31 PolarHBondContact O-N 2.89Å; V29-A31 VanDerWaalsContact C-N 3.27Å; V29-A31 PolarHBondContact O-N 3.21Å
32T49.2Very low61.6Low111 Ų111108.5 Ų108.568%0.68162%0.62SS**  trans-114.535.4177.854.40000113.2V29V29-T32 PolarHBondContact O-OG1 3.1Å
33Q52.4Low61.8Low152 Ų152105.2 Ų105.271%0.7161%0.606SS**  trans-102.693.2159.9-72.9-171.9-4.900108.2C35Q33-C35 PolarHBondContact O-N 3.42Å
34R61.9Low62.1Low213 Ų213103.4 Ų103.480%0.80460%0.601SS**  trans-66.3-20.6176.1-76.8177.9-173.41393.2112.7
35C65.3Low62.3Low46 Ų46105 Ų10531%0.31162%0.619SS.*SBendtrans-117.6134.5177.7-63.50000110.2Q33 C61Q33-C35 PolarHBondContact O-N 3.42Å; C35-C61 HydrophobicContact CB-CB 3.71Å; C35-C61 WeakPolarHBondContact CB-SG 3.49Å; C35-C61 WeakPolarHBondContact SG-CA 3.48Å; C35-C61 WeakPolarHBondContact SG-CB 3.35Å; C35-C61 CovalentContact SG-SG 2.04Å; C35-C61 PolarHBondContact SG-SG 2.06Å
36P72.2Confident63.1Low73 Ų73104.5 Ų104.547%0.47462%0.621SS.*  trans-63.8149.3173.226.5-32.3000110.6Q38P36-Q38 WeakPolarHBondContact CB-O 3.25Å; P36-Q38 WeakPolarHBondContact CG-O 3.09Å; P36-Q38 PolarHBondContact O-N 2.89Å; P36-Q38 VanDerWaalsContact O-N 3.11Å
37P66.6Low63.9Low124 Ų124104.2 Ų104.281%0.80563%0.626SS**SBendtrans-66-14.1-179.827.2-35.4000113.3
38Q72.6Confident65.3Low162 Ų162104.3 Ų104.376%0.75762%0.618SS**SBendtrans-128.9138.2171.9-62-173.628.800108.3P36P36-Q38 WeakPolarHBondContact CB-O 3.25Å; P36-Q38 WeakPolarHBondContact CG-O 3.09Å; P36-Q38 PolarHBondContact O-N 2.89Å; P36-Q38 VanDerWaalsContact O-N 3.11Å
39C72.6Confident67.2Low64 Ų64104.4 Ų104.443%0.43263%0.629SS.*  trans-59.5132.2173.7-630000109.4G41 C63C39-G41 PolarHBondContact O-N 2.87Å; C39-C63 WeakPolarHBondContact CA-SG 3.1Å; C39-C63 HydrophobicContact CB-CB 3.64Å; C39-C63 WeakPolarHBondContact CB-SG 3.49Å; C39-C63 WeakPolarHBondContact SG-CA 3.01Å; C39-C63 WeakPolarHBondContact SG-CB 3.36Å; C39-C63 CovalentContact SG-SG 2.04Å; C39-C63 PolarHBondContact SG-SG 2.96Å
40P68.4Low69.2Low63 Ų63101 Ų10141%0.40961%0.609SS.*  trans-56.3137.4172.422.8-29.8000108.3Q42P40-Q42 PolarHBondContact O-N 2.01Å
41G66.1Low71.3Confident89 Ų89100.4 Ų100.492%0.91861%0.605SS**THydrogen-bonded Turntrans-68.633.8-178.900000114.7C39C39-G41 PolarHBondContact O-N 2.87Å
42Q70.4Confident73.2Confident169 Ų169103 Ų10379%0.7961%0.614SS**THydrogen-bonded Turntrans-118.28.3-171.5-67170.445.400112.5P40P40-Q42 PolarHBondContact O-N 2.01Å
43C75.1Confident74.9Confident40 Ų40101.5 Ų101.527%0.2762%0.621SS.*SBendtrans-64.6137.1172.2-610000109.8T45 C64C43-T45 PolarHBondContact O-N 2.98Å; C43-C64 WeakPolarHBondContact CA-SG 3.42Å; C43-C64 HydrophobicContact CB-CB 3.82Å; C43-C64 WeakPolarHBondContact CB-SG 3.3Å; C43-C64 WeakPolarHBondContact SG-CA 3.42Å; C43-C64 WeakPolarHBondContact SG-CB 3.47Å; C43-C64 CovalentContact SG-SG 2.04Å; C43-C64 PolarHBondContact SG-SG 2.95Å
44P75.6Confident76.7Confident81 Ų8195.8 Ų95.853%0.52660%0.596SS.*  trans-54.7129173.8-2231.5000110.2T46P44-T46 PolarHBondContact O-N 2.08Å
45T69.9Low78Confident149 Ų14990.1 Ų90.191%0.91458%0.575SS**SBendtrans-66.9-14176.7280000113C43C43-T45 PolarHBondContact O-N 2.98Å
46T75.4Confident79.3Confident103 Ų10390.6 Ų90.663%0.63258%0.582SS**SBendtrans-111.2133.4175.848.80000109.9P44P44-T46 PolarHBondContact O-N 2.08Å
47P76.8Confident80.1Confident103 Ų10387.9 Ų87.967%0.66956%0.564SS**  trans-64141.9176.924.4-31.1000110.6
48P85.4Confident81.2Confident45 Ų4586.3 Ų86.329%0.29255%0.549SS..  trans-66.1141.1-176.928.8-36000111.2C50 A56 P65P48-C50 PolarHBondContact O-N 2.98Å; P48-A56 HydrophobicContact CG-CB 4.27Å; P48-P65 HydrophobicContact CG-CB 4.41Å
49T91.1Very high81.9Confident146 Ų14679.2 Ų79.290%0.89652%0.516SS*.  trans-87.8105170.5-54.50000108.7
50C90.9Very high82.1Confident31 Ų3178.5 Ų78.521%0.20952%0.519CS..PPolyproline II helixtrans-86.9159.5-178.8-55.90000112.2P48 V54 C67P48-C50 PolarHBondContact O-N 2.98Å; C50-V54 HydrophobicContact CB-CB 4.08Å; C50-V54 HydrophobicContact CB-CG1 4.03Å; C50-V54 VanDerWaalsContact CB-O 3.26Å; C50-V54 WeakPolarHBondContact CB-O 3.47Å; C50-C67 WeakPolarHBondContact CA-SG 3.12Å; C50-C67 HydrophobicContact CB-CB 3.93Å; C50-C67 WeakPolarHBondContact CB-SG 3.17Å; C50-C67 WeakPolarHBondContact SG-CA 3.16Å; C50-C67 WeakPolarHBondContact SG-CB 3.31Å; C50-C67 CovalentContact SG-SG 2.05Å; C50-C67 PolarHBondContact SG-SG 2.84Å
51A91.1Very high82.7Confident63 Ų6377.2 Ų77.252%0.52151%0.511SS..PPolyproline II helixtrans-60.2157175.400000111.7G53 V54A51-G53 PolarHBondContact O-N 3.23Å; A51-V54 HydrophobicContact CB-CB 4.44Å; A51-V54 HydrophobicContact CB-CG2 4.04Å; A51-V54 WeakPolarHBondContact O-CB 3.25Å; A51-V54 PolarHBondContact O-N 3.14Å
52P88.7Confident83.4Confident136 Ų13677.1 Ų77.188%0.88350%0.496SS*.THydrogen-bonded Turntrans-54.9128178.3-25.134.5000112.2V54P52-V54 VanDerWaalsContact C-N 3.27Å; P52-V54 PolarHBondContact O-N 3.44Å
53G83.4Confident84.1Confident80 Ų8070.1 Ų70.183%0.82547%0.466SS*.THydrogen-bonded Turntrans82.5-6.6-177.300000115A51A51-G53 PolarHBondContact O-N 3.23Å
54V91.3Very high84.7Confident31 Ų3169.1 Ų69.119%0.18846%0.459CS..PPolyproline II helixtrans-96125.6174.2-179.30000109.6C50 A51 P52 C67 A68 Q70C50-V54 HydrophobicContact CB-CB 4.08Å; C50-V54 HydrophobicContact CB-CG1 4.03Å; C50-V54 VanDerWaalsContact CB-O 3.26Å; C50-V54 WeakPolarHBondContact CB-O 3.47Å; A51-V54 HydrophobicContact CB-CB 4.44Å; A51-V54 HydrophobicContact CB-CG2 4.04Å; A51-V54 WeakPolarHBondContact O-CB 3.25Å; A51-V54 PolarHBondContact O-N 3.14Å; P52-V54 VanDerWaalsContact C-N 3.27Å; P52-V54 PolarHBondContact O-N 3.44Å; V54-C67 HydrophobicContact CG1-CB 4.2Å; V54-A68 VanDerWaalsContact CG1-O 3.25Å; V54-A68 WeakPolarHBondContact CG1-O 3.21Å; V54-Q70 HydrophobicContact CG2-CG 3.78Å
55R89.2Confident85.3Confident95 Ų9567.2 Ų67.236%0.35845%0.447SS..PPolyproline II helixtrans-88.9154.6177.164171.4-178122.24.9112.2V57 A68 D82 S84R55-V57 HydrophobicContact CG-CG1 4.03Å; R55-A68 HydrophobicContact CG-CB 4.22Å; R55-A68 WeakPolarHBondContact O-CB 3.06Å; R55-A68 PolarHBondContact O-N 2.97Å; R55-D82 IonicContact CZ-OD1 2.78Å; R55-D82 IonicContact NE-OD1 3.58Å; R55-D82 PolarHBondContact NE-OD1 3.39Å; R55-D82 IonicContact NE-OD2 2.73Å; R55-D82 IonicContact NH2-OD1 3.56Å; R55-D82 PolarHBondContact NH2-OD1 3.26Å; R55-S84 WeakPolarHBondContact CD-OG 3.07Å; R55-S84 PolarHBondContact NE-OG 3.04Å; R55-S84 VanDerWaalsContact NH2-N 3.16Å
56A91.5Very high86.3Confident55 Ų5561.8 Ų61.846%0.45541%0.414SS..EExtended strand (participates in β ladder)trans-79.8134.1165.600000109.9P48 V66P48-A56 HydrophobicContact CG-CB 4.27Å; A56-V66 CarbonylContact C-O 3.52Å; A56-V66 WeakPolarHBondContact CA-O 3.34Å
57V91.1Very high87.1Confident16 Ų1659 Ų5910%0.09740%0.398CS..EExtended strand (participates in β ladder)trans-129.1164.6178.4-64.70000109.6R55 P65 V66 A68 P80R55-V57 HydrophobicContact CG-CG1 4.03Å; V57-P65 CarbonylContact O-C 3.56Å; V57-P65 WeakPolarHBondContact O-CA 2.92Å; V57-V66 HydrophobicContact CG2-CG2 4.1Å; V57-V66 PolarHBondContact N-O 2.7Å; V57-V66 PolarHBondContact O-N 2.04Å; V57-A68 HydrophobicContact CB-CB 4.44Å; V57-A68 HydrophobicContact CG1-CB 3.8Å; V57-A68 HydrophobicContact CG2-CB 3.75Å; V57-P80 HydrophobicContact CG2-CG 3.86Å
58L89.4Confident87.9Confident92 Ų9254.3 Ų54.348%0.48237%0.367SS..EExtended strand (participates in β ladder)trans-81.5150.8170.9-60.1175.7000109.8C64 P80L58-C64 WeakPolarHBondContact CA-O 3.06Å; L58-P80 VanDerWaalsContact O-CG 3.24Å; L58-P80 WeakPolarHBondContact O-CG 3.39Å
59D86.6Confident88.3Confident13 Ų1355.4 Ų55.47%0.0737%0.366CS..  trans-58.1169.5166.164.733.8000112C61 S62 C63 C64D59-C61 PolarHBondContact O-N 2.86Å; D59-C61 VanDerWaalsContact O-N 3.14Å; D59-C61 WeakPolarHBondContact OD1-CA 3.47Å; D59-C61 PolarHBondContact OD1-N 3.04Å; D59-S62 WeakPolarHBondContact O-CA 3.28Å; D59-S62 PolarHBondContact O-N 3.07Å; D59-S62 PolarHBondContact OD1-N 3.29Å; D59-C63 PolarHBondContact OD1-N 2.83Å; D59-C64 PolarHBondContact N-O 3.37Å; D59-C64 WeakPolarHBondContact OD2-CB 3.49Å; D59-C64 PolarHBondContact OD2-N 3.49Å
60G76Confident88.5Confident48 Ų4850.8 Ų50.850%0.49533%0.334SS..THydrogen-bonded Turntrans-66.3-10.1-179.100000114.7D77G60-D77 WeakPolarHBondContact CA-O 3.35Å; G60-D77 PolarHBondContact N-O 3.42Å
61C81.1Confident88.5Confident36 Ų3658.4 Ų58.424%0.24336%0.358CS..THydrogen-bonded Turntrans-96.24.1168.1-65.50000112.7C35 D59 C63C35-C61 HydrophobicContact CB-CB 3.71Å; C35-C61 WeakPolarHBondContact CB-SG 3.49Å; C35-C61 WeakPolarHBondContact SG-CA 3.48Å; C35-C61 WeakPolarHBondContact SG-CB 3.35Å; C35-C61 CovalentContact SG-SG 2.04Å; C35-C61 PolarHBondContact SG-SG 2.06Å; D59-C61 PolarHBondContact O-N 2.86Å; D59-C61 VanDerWaalsContact O-N 3.14Å; D59-C61 WeakPolarHBondContact OD1-CA 3.47Å; D59-C61 PolarHBondContact OD1-N 3.04Å; C61-C63 PolarHBondContact O-N 3.04Å
62S82.4Confident88.4Confident87 Ų8758 Ų5861%0.60836%0.36SS*.SBendtrans57.434.7-176.9-58.40000113.6D59D59-S62 WeakPolarHBondContact O-CA 3.28Å; D59-S62 PolarHBondContact O-N 3.07Å; D59-S62 PolarHBondContact OD1-N 3.29Å
63C84.8Confident88.6Confident22 Ų2255.4 Ų55.415%0.14934%0.336CS..  trans-104.7-69.1-173.2-76.70000113C39 D59 C61C39-C63 WeakPolarHBondContact CA-SG 3.1Å; C39-C63 HydrophobicContact CB-CB 3.64Å; C39-C63 WeakPolarHBondContact CB-SG 3.49Å; C39-C63 WeakPolarHBondContact SG-CA 3.01Å; C39-C63 WeakPolarHBondContact SG-CB 3.36Å; C39-C63 CovalentContact SG-SG 2.04Å; C39-C63 PolarHBondContact SG-SG 2.96Å; D59-C63 PolarHBondContact OD1-N 2.83Å; C61-C63 PolarHBondContact O-N 3.04Å
64C86.5Confident89Confident19 Ų1955.3 Ų55.313%0.12832%0.323CS..SBendtrans-102.2142.6-171.9-55.30000111.8C43 L58 D59 V66C43-C64 WeakPolarHBondContact CA-SG 3.42Å; C43-C64 HydrophobicContact CB-CB 3.82Å; C43-C64 WeakPolarHBondContact CB-SG 3.3Å; C43-C64 WeakPolarHBondContact SG-CA 3.42Å; C43-C64 WeakPolarHBondContact SG-CB 3.47Å; C43-C64 CovalentContact SG-SG 2.04Å; C43-C64 PolarHBondContact SG-SG 2.95Å; L58-C64 WeakPolarHBondContact CA-O 3.06Å; D59-C64 PolarHBondContact N-O 3.37Å; D59-C64 WeakPolarHBondContact OD2-CB 3.49Å; D59-C64 PolarHBondContact OD2-N 3.49Å; C64-V66 PolarHBondContact O-N 2.91Å
65P88.8Confident89.1Confident42 Ų4254 Ų5427%0.27332%0.315SS..EExtended strand (participates in β ladder)trans-73.7125.9171.630.6-32.9000110.3P48 V57P48-P65 HydrophobicContact CG-CB 4.41Å; V57-P65 CarbonylContact O-C 3.56Å; V57-P65 WeakPolarHBondContact O-CA 2.92Å
66V90.8Very high89.1Confident35 Ų3550.5 Ų50.521%0.21231%0.305CS..EExtended strand (participates in β ladder)trans-130.1159.1178.4-62.70000109.7A56 V57 C64 P80A56-V66 CarbonylContact C-O 3.52Å; A56-V66 WeakPolarHBondContact CA-O 3.34Å; V57-V66 HydrophobicContact CG2-CG2 4.1Å; V57-V66 PolarHBondContact N-O 2.7Å; V57-V66 PolarHBondContact O-N 2.04Å; C64-V66 PolarHBondContact O-N 2.91Å; V66-P80 HydrophobicContact CG2-CG 4.34Å
67C92.8Very high88.8Confident45 Ų4551.2 Ų51.230%0.30430%0.301SS..EExtended strand (participates in β ladder)trans-76.5132.8174.2-64.80000110.3C50 V54 R69C50-C67 WeakPolarHBondContact CA-SG 3.12Å; C50-C67 HydrophobicContact CB-CB 3.93Å; C50-C67 WeakPolarHBondContact CB-SG 3.17Å; C50-C67 WeakPolarHBondContact SG-CA 3.16Å; C50-C67 WeakPolarHBondContact SG-CB 3.31Å; C50-C67 CovalentContact SG-SG 2.05Å; C50-C67 PolarHBondContact SG-SG 2.84Å; V54-C67 HydrophobicContact CG1-CB 4.2Å; C67-R69 PolarHBondContact O-N 3.5Å
68A93.8Very high88.6Confident3 Ų355.8 Ų55.83%0.02533%0.325CS..PPolyproline II helixtrans-65.7129.5-179.500000111.4V54 R55 V57 Q70 D82V54-A68 VanDerWaalsContact CG1-O 3.25Å; V54-A68 WeakPolarHBondContact CG1-O 3.21Å; R55-A68 HydrophobicContact CG-CB 4.22Å; R55-A68 WeakPolarHBondContact O-CB 3.06Å; R55-A68 PolarHBondContact O-N 2.97Å; V57-A68 HydrophobicContact CB-CB 4.44Å; V57-A68 HydrophobicContact CG1-CB 3.8Å; V57-A68 HydrophobicContact CG2-CB 3.75Å; A68-Q70 PolarHBondContact O-NE2 3.37Å; A68-D82 HydrophobicContact CB-CB 3.68Å
69R94.1Very high88.6Confident69 Ų6955 Ų5526%0.2632%0.319SS..BIsolated β-bridgetrans-67.3138.6176.2-64.5-62.2-164.7-169.30.6111.1C67 E73 S74 E79 P80 C81 D82 C102C67-R69 PolarHBondContact O-N 3.5Å; R69-E73 VanDerWaalsContact CA-OE2 3.28Å; R69-E73 WeakPolarHBondContact CA-OE2 3.49Å; R69-E73 HydrophobicContact CB-CB 4.31Å; R69-E73 WeakPolarHBondContact CD-OE2 3.4Å; R69-S74 PolarHBondContact NE-O 2.9Å; R69-E79 HydrophobicContact CG-CB 4.12Å; R69-E79 WeakPolarHBondContact CG-O 3.36Å; R69-E79 IonicContact CZ-OE1 3.62Å; R69-E79 IonicContact CZ-OE2 2.68Å; R69-E79 IonicContact NE-OE2 2.84Å; R69-E79 IonicContact NH2-OE1 2.65Å; R69-E79 PolarHBondContact NH2-OE1 2.8Å; R69-E79 IonicContact NH2-OE2 2.99Å; R69-E79 PolarHBondContact NH2-OE2 2.02Å; R69-P80 PolarHBondContact N-O 2.86Å; R69-C81 CarbonylContact O-C 3.59Å; R69-C81 WeakPolarHBondContact O-CA 3.47Å; R69-D82 PolarHBondContact O-N 2.94Å; R69-C102 WeakPolarHBondContact CB-SG 3.39Å
70Q93.8Very high88.8Confident48 Ų4855.6 Ų55.622%0.22432%0.323CS..PPolyproline II helixtrans-98.1170.4-175.7-59.1-57.9-56.600111.8V54 A68 G72 E73 C102V54-Q70 HydrophobicContact CG2-CG 3.78Å; A68-Q70 PolarHBondContact O-NE2 3.37Å; Q70-G72 PolarHBondContact O-N 3.41Å; Q70-E73 HydrophobicContact CB-CG 4.36Å; Q70-E73 PolarHBondContact N-OE2 3.42Å; Q70-E73 VanDerWaalsContact O-CB 3.31Å; Q70-E73 WeakPolarHBondContact O-CB 3.38Å; Q70-E73 WeakPolarHBondContact O-CG 3.32Å; Q70-E73 PolarHBondContact O-N 2.89Å; Q70-C102 WeakPolarHBondContact O-CB 3.43Å
71R91.3Very high89.7Confident192 Ų19253.6 Ų53.673%0.72530%0.301SS*.THydrogen-bonded Turntrans-54.9126.5-175.8-174.9-177.9178.9-179.82.9111.2E73 L87R71-E73 VanDerWaalsContact C-N 3.32Å; R71-L87 HydrophobicContact CB-CD1 4.26Å; R71-L87 HydrophobicContact CB-CD2 3.9Å; R71-L87 HydrophobicContact CG-CD2 4.31Å; R71-L87 VanDerWaalsContact N-CD1 3.27Å
72G89.1Confident90.2Very high55 Ų5552 Ų5257%0.56729%0.291SS*.THydrogen-bonded Turntrans84.9-3.6179.900000115Q70 C102Q70-G72 PolarHBondContact O-N 3.41Å; G72-C102 PolarHBondContact N-O 2.94Å
73E93.2Very high90.4Very high80 Ų8055.2 Ų55.237%0.37430%0.296SS..SBendtrans-80.9154.1174.2-62.1-173.2154.700111.8R69 Q70 R71 I101 C102R69-E73 VanDerWaalsContact CA-OE2 3.28Å; R69-E73 WeakPolarHBondContact CA-OE2 3.49Å; R69-E73 HydrophobicContact CB-CB 4.31Å; R69-E73 WeakPolarHBondContact CD-OE2 3.4Å; Q70-E73 HydrophobicContact CB-CG 4.36Å; Q70-E73 PolarHBondContact N-OE2 3.42Å; Q70-E73 VanDerWaalsContact O-CB 3.31Å; Q70-E73 WeakPolarHBondContact O-CB 3.38Å; Q70-E73 WeakPolarHBondContact O-CG 3.32Å; Q70-E73 PolarHBondContact O-N 2.89Å; R71-E73 VanDerWaalsContact C-N 3.32Å; E73-I101 WeakPolarHBondContact O-CA 3.43Å; E73-C102 PolarHBondContact O-N 2.82Å
74S92.3Very high90.3Very high79 Ų7958.2 Ų58.255%0.55232%0.317SS*.EExtended strand (participates in β ladder)trans-68.8133.9171.657.20000110.8R69 G100R69-S74 PolarHBondContact NE-O 2.9Å; S74-G100 CarbonylContact C-O 3.59Å; S74-G100 WeakPolarHBondContact CA-O 3.44Å
75C92.3Very high90Very high2 Ų260.7 Ų60.71%0.01434%0.335CS..EExtended strand (participates in β ladder)trans-126.4156.3-179.454.50000112E79 C81 C89 T99 G100 I101 C102C75-E79 WeakPolarHBondContact CA-O 3.41Å; C75-E79 WeakPolarHBondContact CB-O 3.41Å; C75-C81 WeakPolarHBondContact CB-SG 3.44Å; C75-C89 HydrophobicContact CB-CB 3.85Å; C75-C89 WeakPolarHBondContact CB-SG 3.38Å; C75-C89 WeakPolarHBondContact SG-CA 3.38Å; C75-C89 WeakPolarHBondContact SG-CB 3.36Å; C75-C89 CovalentContact SG-SG 2.02Å; C75-C89 PolarHBondContact SG-SG 3.33Å; C75-T99 CarbonylContact O-C 3.36Å; C75-T99 WeakPolarHBondContact O-CA 3.49Å; C75-G100 PolarHBondContact N-O 2.75Å; C75-G100 PolarHBondContact O-N 3.35Å; C75-G100 PolarHBondContact SG-O 2.74Å; C75-G100 VanDerWaalsContact SG-O 3.4Å; C75-I101 PolarHBondContact SG-N 3.22Å; C75-C102 VanDerWaalsContact CB-SG 3.56Å
76S89.5Confident89.7Confident22 Ų2260.3 Ų60.315%0.15434%0.338CS..EExtended strand (participates in β ladder)trans-150.4178.3176.768.60000110.1L78 E79S76-L78 PolarHBondContact O-N 2.69Å; S76-L78 PolarHBondContact OG-N 3.39Å; S76-E79 PolarHBondContact N-O 3.48Å; S76-E79 CarbonylContact O-C 3.45Å; S76-E79 PolarHBondContact O-N 2.04Å; S76-E79 VanDerWaalsContact O-N 3.15Å; S76-E79 PolarHBondContact OG-N 2.87Å
77D85.3Confident89.6Confident70 Ų7059.1 Ų59.137%0.37433%0.331SS..SBendtrans-61.8-26.2172.8-67.5-13.7000112.1G60 R91G60-D77 WeakPolarHBondContact CA-O 3.35Å; G60-D77 PolarHBondContact N-O 3.42Å; D77-R91 IonicContact OD1-CZ 3.83Å; D77-R91 IonicContact OD1-NH2 3.75Å; D77-R91 PolarHBondContact OD1-NH2 2.92Å
78L86Confident89.5Confident112 Ų11261.8 Ų61.859%0.58634%0.335SS*.SBendtrans-88.9-17.8176.8-65.1173.6000112.9S76S76-L78 PolarHBondContact O-N 2.69Å; S76-L78 PolarHBondContact OG-N 3.39Å
79E89.9Confident89.3Confident77 Ų7762.8 Ų62.836%0.3634%0.341SS..SBendtrans-13376.5-175.4-59.1-173.8132.300109.6R69 C75 S76R69-E79 HydrophobicContact CG-CB 4.12Å; R69-E79 WeakPolarHBondContact CG-O 3.36Å; R69-E79 IonicContact CZ-OE1 3.62Å; R69-E79 IonicContact CZ-OE2 2.68Å; R69-E79 IonicContact NE-OE2 2.84Å; R69-E79 IonicContact NH2-OE1 2.65Å; R69-E79 PolarHBondContact NH2-OE1 2.8Å; R69-E79 IonicContact NH2-OE2 2.99Å; R69-E79 PolarHBondContact NH2-OE2 2.02Å; C75-E79 WeakPolarHBondContact CA-O 3.41Å; C75-E79 WeakPolarHBondContact CB-O 3.41Å; S76-E79 PolarHBondContact N-O 3.48Å; S76-E79 CarbonylContact O-C 3.45Å; S76-E79 PolarHBondContact O-N 2.04Å; S76-E79 VanDerWaalsContact O-N 3.15Å; S76-E79 PolarHBondContact OG-N 2.87Å
80P92Very high89.2Confident24 Ų2461.3 Ų61.316%0.15634%0.339CS..  trans-77.7154.2-173.528.2-29.9000112.5V57 L58 V66 R69V57-P80 HydrophobicContact CG2-CG 3.86Å; L58-P80 VanDerWaalsContact O-CG 3.24Å; L58-P80 WeakPolarHBondContact O-CG 3.39Å; V66-P80 HydrophobicContact CG2-CG 4.34Å; R69-P80 PolarHBondContact N-O 2.86Å
81C93.2Very high89Confident6 Ų661.9 Ų61.94%0.04134%0.339CS..BIsolated β-bridgetrans-70.2159.7174.7-56.30000112.4R69 C75 E83 L87 C102R69-C81 CarbonylContact O-C 3.59Å; R69-C81 WeakPolarHBondContact O-CA 3.47Å; C75-C81 WeakPolarHBondContact CB-SG 3.44Å; C81-E83 PolarHBondContact O-N 2.76Å; C81-L87 HydrophobicContact CB-CB 3.88Å; C81-C102 VanDerWaalsContact CA-SG 3.53Å; C81-C102 HydrophobicContact CB-CB 3.9Å; C81-C102 WeakPolarHBondContact CB-SG 3.5Å; C81-C102 WeakPolarHBondContact SG-CA 3.06Å; C81-C102 WeakPolarHBondContact SG-CB 3.19Å; C81-C102 CovalentContact SG-SG 2.03Å; C81-C102 PolarHBondContact SG-SG 3.46Å
82D92.2Very high88.6Confident3 Ų357.9 Ų57.92%0.01634%0.341CS..  trans-73.587172.3-170.3-7.6000112.4R55 A68 R69 S84 S85 L87R55-D82 IonicContact CZ-OD1 2.78Å; R55-D82 IonicContact NE-OD1 3.58Å; R55-D82 PolarHBondContact NE-OD1 3.39Å; R55-D82 IonicContact NE-OD2 2.73Å; R55-D82 IonicContact NH2-OD1 3.56Å; R55-D82 PolarHBondContact NH2-OD1 3.26Å; A68-D82 HydrophobicContact CB-CB 3.68Å; R69-D82 PolarHBondContact O-N 2.94Å; D82-S84 VanDerWaalsContact C-N 3.28Å; D82-S84 PolarHBondContact O-N 3.31Å; D82-S84 PolarHBondContact OD1-N 2.93Å; D82-S84 VanDerWaalsContact OD1-N 3.09Å; D82-S84 PolarHBondContact OD1-OG 3.3Å; D82-S85 VanDerWaalsContact CG-OG 3.22Å; D82-S85 PolarHBondContact O-N 3.01Å; D82-S85 VanDerWaalsContact O-N 3.07Å; D82-S85 PolarHBondContact OD1-N 3.06Å; D82-S85 WeakPolarHBondContact OD2-CB 3.47Å; D82-S85 PolarHBondContact OD2-OG 2.94Å; D82-L87 HydrophobicContact CB-CD1 4.23Å; D82-L87 WeakPolarHBondContact O-CB 2.96Å; D82-L87 PolarHBondContact O-N 3.33Å; D82-L87 VanDerWaalsContact O-N 3.13Å
83E86.3Confident88Confident154 Ų15460 Ų6072%0.7235%0.352SS*.G310 helixtrans-59.4-33.5176.6-65.3-174164.100113.9C81 S85 G86 L87C81-E83 PolarHBondContact O-N 2.76Å; E83-S85 PolarHBondContact O-N 2.68Å; E83-G86 WeakPolarHBondContact O-CA 3.37Å; E83-G86 PolarHBondContact O-N 3.44Å; E83-L87 WeakPolarHBondContact CA-O 3.24Å
84S82.6Confident87.2Confident85 Ų8557.7 Ų57.759%0.59434%0.343SS*.G310 helixtrans-68-23.4177.475.70000113.2R55 D82 G86R55-S84 WeakPolarHBondContact CD-OG 3.07Å; R55-S84 PolarHBondContact NE-OG 3.04Å; R55-S84 VanDerWaalsContact NH2-N 3.16Å; D82-S84 VanDerWaalsContact C-N 3.28Å; D82-S84 PolarHBondContact O-N 3.31Å; D82-S84 PolarHBondContact OD1-N 2.93Å; D82-S84 VanDerWaalsContact OD1-N 3.09Å; D82-S84 PolarHBondContact OD1-OG 3.3Å; S84-G86 VanDerWaalsContact C-N 3.25Å
85S80.3Confident86.3Confident72 Ų7260.6 Ų60.650%0.50336%0.359SS..G310 helixtrans-9011.2171.8-64.90000112D82 E83D82-S85 VanDerWaalsContact CG-OG 3.22Å; D82-S85 PolarHBondContact O-N 3.01Å; D82-S85 VanDerWaalsContact O-N 3.07Å; D82-S85 PolarHBondContact OD1-N 3.06Å; D82-S85 WeakPolarHBondContact OD2-CB 3.47Å; D82-S85 PolarHBondContact OD2-OG 2.94Å; E83-S85 PolarHBondContact O-N 2.68Å
86G82Confident85.6Confident33 Ų3363.6 Ų63.634%0.3438%0.38SS..THydrogen-bonded Turntrans72.827.3178.400000113.4E83 S84 A104 V105E83-G86 WeakPolarHBondContact O-CA 3.37Å; E83-G86 PolarHBondContact O-N 3.44Å; S84-G86 VanDerWaalsContact C-N 3.25Å; G86-A104 WeakPolarHBondContact O-CA 3.46Å; G86-V105 PolarHBondContact O-N 2.05Å
87L89.4Confident85Confident11 Ų1167 Ų676%0.05840%0.397CS..EExtended strand (participates in β ladder)trans-101.2139.2178.2-54.5179.5000111.5R71 C81 D82 E83 M103 A104R71-L87 HydrophobicContact CB-CD1 4.26Å; R71-L87 HydrophobicContact CB-CD2 3.9Å; R71-L87 HydrophobicContact CG-CD2 4.31Å; R71-L87 VanDerWaalsContact N-CD1 3.27Å; C81-L87 HydrophobicContact CB-CB 3.88Å; D82-L87 HydrophobicContact CB-CD1 4.23Å; D82-L87 WeakPolarHBondContact O-CB 2.96Å; D82-L87 PolarHBondContact O-N 3.33Å; D82-L87 VanDerWaalsContact O-N 3.13Å; E83-L87 WeakPolarHBondContact CA-O 3.24Å; L87-M103 CarbonylContact C-O 3.57Å; L87-M103 VanDerWaalsContact CA-O 3.26Å; L87-M103 WeakPolarHBondContact CA-O 3.04Å; L87-A104 HydrophobicContact CD2-CB 4.04Å
88Y90.2Very high84.8Confident101 Ų10170 Ų7040%0.39641%0.409SS..EExtended strand (participates in β ladder)trans-126.5153.1171.678-79.9000110.5D90 C102 M103 V105Y88-D90 HydrophobicContact CE2-CB 3.81Å; Y88-D90 PolarHBondContact O-N 2.78Å; Y88-C102 CarbonylContact O-C 3.56Å; Y88-C102 WeakPolarHBondContact O-CA 3.44Å; Y88-M103 HydrophobicContact CD1-CB 4.36Å; Y88-M103 WeakPolarHBondContact CD1-O 3.27Å; Y88-M103 HydrophobicContact CE1-CB 3.8Å; Y88-M103 PolarHBondContact N-O 3.03Å; Y88-M103 PolarHBondContact O-N 3.14Å; Y88-M103 VanDerWaalsContact OH-CE 3.28Å; Y88-M103 WeakPolarHBondContact OH-CE 3.01Å; Y88-V105 HydrophobicContact CD1-CB 4.46Å; Y88-V105 HydrophobicContact CD1-CG2 3.62Å; Y88-V105 HydrophobicContact CE1-CG2 4.39Å; Y88-V105 HydrophobicContact CG-CG2 4.35Å
89C91.3Very high84.8Confident23 Ų2368.4 Ų68.416%0.15540%0.404CS..EExtended strand (participates in β ladder)trans-85103.1179.8-171.40000110.5C75 R91C75-C89 HydrophobicContact CB-CB 3.85Å; C75-C89 WeakPolarHBondContact CB-SG 3.38Å; C75-C89 WeakPolarHBondContact SG-CA 3.38Å; C75-C89 WeakPolarHBondContact SG-CB 3.36Å; C75-C89 CovalentContact SG-SG 2.02Å; C75-C89 PolarHBondContact SG-SG 3.33Å; C89-R91 PolarHBondContact O-N 3.44Å
90D91Very high84.9Confident38 Ų3865.3 Ų65.320%0.20339%0.392CS..EExtended strand (participates in β ladder)trans-81.6112.6175.6-175.312.7000110.9Y88 S92 G100 I101 M103Y88-D90 HydrophobicContact CE2-CB 3.81Å; Y88-D90 PolarHBondContact O-N 2.78Å; D90-S92 WeakPolarHBondContact OD1-CB 2.99Å; D90-S92 PolarHBondContact OD1-N 3.28Å; D90-S92 PolarHBondContact OD1-OG 2.97Å; D90-G100 CarbonylContact O-C 3.58Å; D90-G100 WeakPolarHBondContact O-CA 3.03Å; D90-I101 PolarHBondContact N-O 3.31Å; D90-I101 PolarHBondContact O-N 2.68Å; D90-M103 HydrophobicContact CB-CB 4.43Å; D90-M103 HydrophobicContact CB-CE 3.81Å; D90-M103 HydrophobicContact CB-CG 3.86Å; D90-M103 HydrophobicContact CB-SD 4.4Å; D90-M103 WeakPolarHBondContact OD2-CE 3.29Å
91R89.1Confident85Confident60 Ų6068.6 Ų68.623%0.22641%0.407CS..  trans-101.39.1179.7-59.4-177.9-179.379.3-8112.8D77 C89 A93 D94 N97D77-R91 IonicContact OD1-CZ 3.83Å; D77-R91 IonicContact OD1-NH2 3.75Å; D77-R91 PolarHBondContact OD1-NH2 2.92Å; C89-R91 PolarHBondContact O-N 3.44Å; R91-A93 PolarHBondContact O-N 2.83Å; R91-D94 PolarHBondContact O-N 2.88Å; R91-N97 VanDerWaalsContact CB-OD1 3.23Å; R91-N97 WeakPolarHBondContact CB-OD1 3.34Å; R91-N97 WeakPolarHBondContact CD-O 3.28Å; R91-N97 WeakPolarHBondContact CD-OD1 3.43Å
92S83.5Confident84.9Confident109 Ų10968.3 Ų68.376%0.76241%0.406SS*.THydrogen-bonded Turntrans-58.4-21.7-174.4-58.70000114.4D90D90-S92 WeakPolarHBondContact OD1-CB 2.99Å; D90-S92 PolarHBondContact OD1-N 3.28Å; D90-S92 PolarHBondContact OD1-OG 2.97Å
93A76.6Confident84.7Confident98 Ų9871.8 Ų71.881%0.8142%0.423SS*.THydrogen-bonded Turntrans-89.5-11.7178.100000114.5R91R91-A93 PolarHBondContact O-N 2.83Å
94D77.3Confident84.6Confident33 Ų3366 Ų6618%0.17640%0.401CS..  trans-106.6111-175.4-179.17.8000111.7R91 S96 N97 Q98 T99R91-D94 PolarHBondContact O-N 2.88Å; D94-S96 PolarHBondContact O-N 2.91Å; D94-S96 VanDerWaalsContact O-N 3.17Å; D94-S96 WeakPolarHBondContact OD1-CB 3.46Å; D94-S96 PolarHBondContact OD1-N 2.94Å; D94-S96 PolarHBondContact OD1-OG 3.4Å; D94-S96 PolarHBondContact OD2-OG 2.89Å; D94-N97 PolarHBondContact O-N 2.83Å; D94-Q98 PolarHBondContact OD2-N 3.34Å; D94-T99 WeakPolarHBondContact CB-O 3.47Å; D94-T99 PolarHBondContact OD2-N 2.89Å; D94-T99 PolarHBondContact OD2-OG1 3.47Å
95P72.2Confident84.2Confident139 Ų13966.3 Ų66.390%0.90340%0.4SS*.THydrogen-bonded Turntrans-65.3-17.5178.225.1-31.5000113.6
96S78.3Confident83.7Confident65 Ų6570.9 Ų70.946%0.45541%0.413SS..THydrogen-bonded Turntrans-85.6-12.5174.777.10000113.4D94 Q98D94-S96 PolarHBondContact O-N 2.91Å; D94-S96 VanDerWaalsContact O-N 3.17Å; D94-S96 WeakPolarHBondContact OD1-CB 3.46Å; D94-S96 PolarHBondContact OD1-N 2.94Å; D94-S96 PolarHBondContact OD1-OG 3.4Å; D94-S96 PolarHBondContact OD2-OG 2.89Å; S96-Q98 PolarHBondContact O-N 2.77Å
97N76.7Confident83Confident94 Ų9470 Ų7050%0.50340%0.404SS..SBendtrans53.828.7-176.7-161.526.9000113.6R91 D94R91-N97 VanDerWaalsContact CB-OD1 3.23Å; R91-N97 WeakPolarHBondContact CB-OD1 3.34Å; R91-N97 WeakPolarHBondContact CD-O 3.28Å; R91-N97 WeakPolarHBondContact CD-OD1 3.43Å; D94-N97 PolarHBondContact O-N 2.83Å
98Q80.1Confident82.4Confident134 Ų13474.9 Ų74.963%0.62643%0.43SS*.SBendtrans-98.7-33.4-179-67.2-174.4-1200111.8D94 S96D94-Q98 PolarHBondContact OD2-N 3.34Å; S96-Q98 PolarHBondContact O-N 2.77Å
99T87.8Confident82Confident78 Ų7874.3 Ų74.348%0.47943%0.434SS..EExtended strand (participates in β ladder)trans-126.9150.2-174.955.40000111.1C75 D94C75-T99 CarbonylContact O-C 3.36Å; C75-T99 WeakPolarHBondContact O-CA 3.49Å; D94-T99 WeakPolarHBondContact CB-O 3.47Å; D94-T99 PolarHBondContact OD2-N 2.89Å; D94-T99 PolarHBondContact OD2-OG1 3.47Å
100G91.8Very high81.8Confident11 Ų1173.2 Ų73.211%0.11343%0.427CS..EExtended strand (participates in β ladder)trans-152.5-171.7-179.700000112.2S74 C75 D90S74-G100 CarbonylContact C-O 3.59Å; S74-G100 WeakPolarHBondContact CA-O 3.44Å; C75-G100 PolarHBondContact N-O 2.75Å; C75-G100 PolarHBondContact O-N 3.35Å; C75-G100 PolarHBondContact SG-O 2.74Å; C75-G100 VanDerWaalsContact SG-O 3.4Å; D90-G100 CarbonylContact O-C 3.58Å; D90-G100 WeakPolarHBondContact O-CA 3.03Å
101I92.8Very high81.7Confident93 Ų9376.2 Ų76.248%0.47745%0.446SS..EExtended strand (participates in β ladder)trans-121.2135.4175.1-58.7175.8000108.9E73 C75 D90 M103E73-I101 WeakPolarHBondContact O-CA 3.43Å; C75-I101 PolarHBondContact SG-N 3.22Å; D90-I101 PolarHBondContact N-O 3.31Å; D90-I101 PolarHBondContact O-N 2.68Å; I101-M103 PolarHBondContact O-N 3.3Å; I101-M103 VanDerWaalsContact O-N 3.11Å
102C92.1Very high81.7Confident1 Ų177 Ų771%0.00745%0.451CS..EExtended strand (participates in β ladder)trans-68109.9175.8-67.40000110.9R69 Q70 G72 E73 C75 C81 Y88R69-C102 WeakPolarHBondContact CB-SG 3.39Å; Q70-C102 WeakPolarHBondContact O-CB 3.43Å; G72-C102 PolarHBondContact N-O 2.94Å; E73-C102 PolarHBondContact O-N 2.82Å; C75-C102 VanDerWaalsContact CB-SG 3.56Å; C81-C102 VanDerWaalsContact CA-SG 3.53Å; C81-C102 HydrophobicContact CB-CB 3.9Å; C81-C102 WeakPolarHBondContact CB-SG 3.5Å; C81-C102 WeakPolarHBondContact SG-CA 3.06Å; C81-C102 WeakPolarHBondContact SG-CB 3.19Å; C81-C102 CovalentContact SG-SG 2.03Å; C81-C102 PolarHBondContact SG-SG 3.46Å; Y88-C102 CarbonylContact O-C 3.56Å; Y88-C102 WeakPolarHBondContact O-CA 3.44Å
103M88.3Confident81.9Confident75 Ų7579.1 Ų79.137%0.36945%0.454SS..EExtended strand (participates in β ladder)trans-105.8147.3175.5-62.3-138.9-59.100110L87 Y88 D90 I101L87-M103 CarbonylContact C-O 3.57Å; L87-M103 VanDerWaalsContact CA-O 3.26Å; L87-M103 WeakPolarHBondContact CA-O 3.04Å; Y88-M103 HydrophobicContact CD1-CB 4.36Å; Y88-M103 WeakPolarHBondContact CD1-O 3.27Å; Y88-M103 HydrophobicContact CE1-CB 3.8Å; Y88-M103 PolarHBondContact N-O 3.03Å; Y88-M103 PolarHBondContact O-N 3.14Å; Y88-M103 VanDerWaalsContact OH-CE 3.28Å; Y88-M103 WeakPolarHBondContact OH-CE 3.01Å; D90-M103 HydrophobicContact CB-CB 4.43Å; D90-M103 HydrophobicContact CB-CE 3.81Å; D90-M103 HydrophobicContact CB-CG 3.86Å; D90-M103 HydrophobicContact CB-SD 4.4Å; D90-M103 WeakPolarHBondContact OD2-CE 3.29Å; I101-M103 PolarHBondContact O-N 3.3Å; I101-M103 VanDerWaalsContact O-N 3.11Å
104A82.7Confident82.3Confident33 Ų3377.9 Ų77.927%0.27345%0.451SS..EExtended strand (participates in β ladder)trans-70.2136.3168.700000108.2G86 L87 E106G86-A104 WeakPolarHBondContact O-CA 3.46Å; L87-A104 HydrophobicContact CD2-CB 4.04Å; A104-E106 VanDerWaalsContact C-N 3.33Å; A104-E106 PolarHBondContact O-N 3.24Å
105V74.2Confident82.9Confident92 Ų9279.8 Ų79.856%0.55846%0.464SS*.  trans-60.8104.6163.2-177.40000105.2G86 Y88 G107G86-V105 PolarHBondContact O-N 2.05Å; Y88-V105 HydrophobicContact CD1-CB 4.46Å; Y88-V105 HydrophobicContact CD1-CG2 3.62Å; Y88-V105 HydrophobicContact CE1-CG2 4.39Å; Y88-V105 HydrophobicContact CG-CG2 4.35Å; V105-G107 PolarHBondContact O-N 3.26Å; V105-G107 VanDerWaalsContact O-N 3.11Å
106E70.4Confident83.6Confident167 Ų16778.6 Ų78.678%0.7845%0.449SS*.PPolyproline II helixtrans-61117.1166.7-69.5-16916300105.6A104 D108A104-E106 VanDerWaalsContact C-N 3.33Å; A104-E106 PolarHBondContact O-N 3.24Å; E106-D108 PolarHBondContact O-N 2.93Å
107G66.6Low84Confident15 Ų1577.3 Ų77.316%0.15543%0.434CS..PPolyproline II helixtrans-54.4136.8176.900000109.6V105 N109 S119 D135V105-G107 PolarHBondContact O-N 3.26Å; V105-G107 VanDerWaalsContact O-N 3.11Å; G107-N109 PolarHBondContact O-N 3.35Å; G107-S119 VanDerWaalsContact C-CB 3.47Å; G107-S119 VanDerWaalsContact CA-CB 3.45Å; G107-S119 VanDerWaalsContact O-CB 3.24Å; G107-S119 WeakPolarHBondContact O-CB 3.44Å; G107-D135 WeakPolarHBondContact CA-OD1 3.33Å
108D77.4Confident84.6Confident114 Ų11481.7 Ų81.761%0.6144%0.443SS*.PPolyproline II helixtrans-50.1136.4-178.9-73.2-34.1000110.6E106 D135 G136E106-D108 PolarHBondContact O-N 2.93Å; D108-D135 CarbonylContact O-C 3.19Å; D108-G136 WeakPolarHBondContact O-CA 3.28Å; D108-G136 PolarHBondContact O-N 3.01Å
109N82.8Confident84.8Confident88 Ų8877.3 Ų77.347%0.47143%0.427SS..PPolyproline II helixtrans-69.3144.9175-61.6-44.4000109.3G107 I116 Y117 R118G107-N109 PolarHBondContact O-N 3.35Å; N109-I116 HydrophobicContact CB-CG2 3.75Å; N109-Y117 CarbonylContact C-O 3.51Å; N109-Y117 WeakPolarHBondContact CA-O 3.33Å; N109-Y117 WeakPolarHBondContact CB-O 3.38Å; N109-R118 WeakPolarHBondContact OD1-CA 3.39Å
110C86.9Confident84.6Confident1 Ų175.9 Ų75.91%0.00743%0.428CS..EExtended strand (participates in β ladder)trans-96.7146.9174.8-50.30000110.1I116 Y117 C133 Q137 I138C110-I116 CarbonylContact O-C 3.52Å; C110-I116 WeakPolarHBondContact O-CA 3.44Å; C110-Y117 PolarHBondContact N-O 3.33Å; C110-Y117 PolarHBondContact O-N 3.01Å; C110-C133 HydrophobicContact CB-CB 3.7Å; C110-C133 WeakPolarHBondContact CB-SG 3.31Å; C110-C133 PolarHBondContact N-SG 2.03Å; C110-C133 WeakPolarHBondContact SG-CA 3.48Å; C110-C133 WeakPolarHBondContact SG-CB 3.46Å; C110-C133 CovalentContact SG-SG 2.03Å; C110-C133 PolarHBondContact SG-SG 3.18Å; C110-Q137 PolarHBondContact SG-O 3.18Å; C110-Q137 VanDerWaalsContact SG-O 3.38Å; C110-I138 HydrophobicContact CB-CD1 3.84Å; C110-I138 HydrophobicContact CB-CG1 3.51Å
111V89Confident84.4Confident101 Ų10179.1 Ų79.161%0.61244%0.44SS*.EExtended strand (participates in β ladder)trans-113.5121.8171.3-175.20000108.9V115 I116V111-V115 WeakPolarHBondContact CA-O 3.3Å; V111-I116 HydrophobicContact CG2-CG1 4.35Å
112F88.4Confident84.4Confident76 Ų7681.5 Ų81.533%0.33345%0.447SS..EExtended strand (participates in β ladder)trans-134123.8176.1-170.6-94.7000109.9G114 V115 Y117 F123 P125 I138F112-G114 PolarHBondContact O-N 2.97Å; F112-V115 PolarHBondContact N-O 2.03Å; F112-V115 PolarHBondContact O-N 3.07Å; F112-Y117 HydrophobicContact CB-CD2 4.13Å; F112-Y117 HydrophobicContact CB-CE2 3.85Å; F112-F123 HydrophobicContact CB-CE2 4.18Å; F112-F123 HydrophobicContact CB-CZ 3.96Å; F112-F123 AromaticContact CD1-CE2 3.62Å; F112-F123 HydrophobicContact CD1-CE2 3.62Å; F112-F123 HydrophobicContact CD1-CZ 4.18Å; F112-F123 HydrophobicContact CD2-CZ 4.46Å; F112-F123 HydrophobicContact CE1-CE2 4.15Å; F112-F123 AromaticContact CG-CE2 3.88Å; F112-F123 HydrophobicContact CG-CE2 3.88Å; F112-F123 AromaticContact CG-CZ 3.94Å; F112-F123 HydrophobicContact CG-CZ 3.94Å; F112-P125 HydrophobicContact CD1-CB 4.4Å; F112-P125 HydrophobicContact CE1-CB 3.53Å; F112-P125 HydrophobicContact CE1-CG 4.32Å; F112-P125 HydrophobicContact CZ-CB 4.06Å; F112-P125 HydrophobicContact CZ-CG 4.48Å; F112-I138 HydrophobicContact CB-CD1 3.54Å; F112-I138 HydrophobicContact CD2-CD1 3.76Å; F112-I138 HydrophobicContact CG-CD1 4.04Å
113D86.9Confident84.4Confident154 Ų15482.2 Ų82.282%0.82445%0.45SS*.THydrogen-bonded Turntrans5238.2-178.8-157.428.2000113.4V115D113-V115 VanDerWaalsContact C-N 3.25Å; D113-V115 PolarHBondContact O-N 2.89Å
114G85.6Confident84.7Confident72 Ų7283.1 Ų83.174%0.74245%0.453SS*.THydrogen-bonded Turntrans77.6-0.4-179.100000115.6F112F112-G114 PolarHBondContact O-N 2.97Å
115V89.3Confident85Confident73 Ų7384.3 Ų84.344%0.44246%0.459SS..EExtended strand (participates in β ladder)trans-99.8138.1176.2-176.30000110.3V111 F112 D113 Y117V111-V115 WeakPolarHBondContact CA-O 3.3Å; F112-V115 PolarHBondContact N-O 2.03Å; F112-V115 PolarHBondContact O-N 3.07Å; D113-V115 VanDerWaalsContact C-N 3.25Å; D113-V115 PolarHBondContact O-N 2.89Å; V115-Y117 HydrophobicContact CB-CE2 3.78Å; V115-Y117 HydrophobicContact CG1-CD2 4.45Å; V115-Y117 HydrophobicContact CG1-CE1 4.23Å; V115-Y117 HydrophobicContact CG1-CE2 3.82Å
116I86.9Confident85.8Confident114 Ų11482.2 Ų82.259%0.58545%0.448SS*.EExtended strand (participates in β ladder)trans-93.7123.6178.9-55.1175.4000109.1N109 C110 V111N109-I116 HydrophobicContact CB-CG2 3.75Å; C110-I116 CarbonylContact O-C 3.52Å; C110-I116 WeakPolarHBondContact O-CA 3.44Å; V111-I116 HydrophobicContact CG2-CG1 4.35Å
117Y87.8Confident86.7Confident38 Ų3876.9 Ų76.915%0.14943%0.428CS..EExtended strand (participates in β ladder)trans-112.8134.3177-63.9-82000110.1N109 C110 F112 V115 E121 F123 C133N109-Y117 CarbonylContact C-O 3.51Å; N109-Y117 WeakPolarHBondContact CA-O 3.33Å; N109-Y117 WeakPolarHBondContact CB-O 3.38Å; C110-Y117 PolarHBondContact N-O 3.33Å; C110-Y117 PolarHBondContact O-N 3.01Å; F112-Y117 HydrophobicContact CB-CD2 4.13Å; F112-Y117 HydrophobicContact CB-CE2 3.85Å; V115-Y117 HydrophobicContact CB-CE2 3.78Å; V115-Y117 HydrophobicContact CG1-CD2 4.45Å; V115-Y117 HydrophobicContact CG1-CE1 4.23Å; V115-Y117 HydrophobicContact CG1-CE2 3.82Å; Y117-E121 WeakPolarHBondContact CA-OE2 3.41Å; Y117-E121 HydrophobicContact CD1-CG 4.22Å; Y117-F123 HydrophobicContact CD1-CB 3.82Å; Y117-F123 AromaticContact CD1-CD1 3.55Å; Y117-F123 HydrophobicContact CD1-CD1 3.55Å; Y117-F123 HydrophobicContact CD1-CE1 4.25Å; Y117-F123 AromaticContact CD1-CG 3.76Å; Y117-F123 HydrophobicContact CD1-CG 3.76Å; Y117-F123 HydrophobicContact CD2-CD1 4.06Å; Y117-F123 AromaticContact CD2-CE1 3.94Å; Y117-F123 HydrophobicContact CD2-CE1 3.94Å; Y117-F123 HydrophobicContact CD2-CG 4.42Å; Y117-F123 HydrophobicContact CD2-CZ 4.21Å; Y117-F123 HydrophobicContact CE1-CB 3.27Å; Y117-F123 AromaticContact CE1-CD1 3.7Å; Y117-F123 HydrophobicContact CE1-CD1 3.7Å; Y117-F123 AromaticContact CE1-CD2 3.94Å; Y117-F123 HydrophobicContact CE1-CD2 3.94Å; Y117-F123 HydrophobicContact CE1-CE1 4.5Å; Y117-F123 AromaticContact CE1-CG 3.37Å; Y117-F123 HydrophobicContact CE1-CG 3.37Å; Y117-F123 HydrophobicContact CE2-CD1 4.19Å; Y117-F123 HydrophobicContact CE2-CD2 4.03Å; Y117-F123 HydrophobicContact CE2-CE1 4.21Å; Y117-F123 HydrophobicContact CE2-CE2 4.06Å; Y117-F123 HydrophobicContact CE2-CG 4.11Å; Y117-F123 HydrophobicContact CE2-CZ 4.14Å; Y117-F123 AromaticContact CG-CD1 3.73Å; Y117-F123 HydrophobicContact CG-CD1 3.73Å; Y117-F123 AromaticContact CG-CE1 3.95Å; Y117-F123 HydrophobicContact CG-CE1 3.95Å; Y117-F123 HydrophobicContact CG-CG 4.25Å; Y117-F123 AromaticContact CZ-CD2 3.6Å; Y117-F123 AromaticContact CZ-CG 3.55Å; Y117-C133 PolarHBondContact O-SG 2.99Å; Y117-C133 VanDerWaalsContact O-SG 3.41Å
118R88.4Confident87.7Confident186 Ų18678.7 Ų78.770%0.70243%0.432SS*.  trans-73.6151.5178.6-63.9-179.2-179.7-178.8-1.1111.5N109 G120 E121 C133N109-R118 WeakPolarHBondContact OD1-CA 3.39Å; R118-G120 PolarHBondContact O-N 3.26Å; R118-E121 HydrophobicContact CB-CB 4.38Å; R118-E121 PolarHBondContact N-OE2 2.73Å; R118-E121 WeakPolarHBondContact O-CB 3.39Å; R118-E121 PolarHBondContact O-N 3.12Å; R118-C133 WeakPolarHBondContact O-CB 3.38Å
119S83.8Confident88.4Confident41 Ų4177.9 Ų77.929%0.28742%0.423SS..THydrogen-bonded Turntrans-59.2127.9172.7-172.40000110.5G107 D135G107-S119 VanDerWaalsContact C-CB 3.47Å; G107-S119 VanDerWaalsContact CA-CB 3.45Å; G107-S119 VanDerWaalsContact O-CB 3.24Å; G107-S119 WeakPolarHBondContact O-CB 3.44Å; S119-D135 PolarHBondContact OG-N 3.03Å; S119-D135 PolarHBondContact OG-OD1 3.06Å
120G83.7Confident88.9Confident48 Ų4877.1 Ų77.150%0.49542%0.417SS..THydrogen-bonded Turntrans92.8-12.1-170.800000115.1R118 C133R118-G120 PolarHBondContact O-N 3.26Å; G120-C133 WeakPolarHBondContact CA-O 3.28Å; G120-C133 PolarHBondContact N-O 2.83Å
121E88.4Confident89.3Confident79 Ų7977 Ų7737%0.36942%0.417SS..  trans-72.9135.4-178.5-167.7173.4167.600111.7Y117 R118 T132 C133Y117-E121 WeakPolarHBondContact CA-OE2 3.41Å; Y117-E121 HydrophobicContact CD1-CG 4.22Å; R118-E121 HydrophobicContact CB-CB 4.38Å; R118-E121 PolarHBondContact N-OE2 2.73Å; R118-E121 WeakPolarHBondContact O-CB 3.39Å; R118-E121 PolarHBondContact O-N 3.12Å; E121-T132 CarbonylContact O-C 3.6Å; E121-T132 WeakPolarHBondContact O-CA 2.87Å; E121-C133 PolarHBondContact O-N 2.84Å
122K91.9Very high89.5Confident143 Ų14373.5 Ų73.562%0.62240%0.395SS*.EExtended strand (participates in β ladder)trans-107.4131.2178.4-62-178.7-179.2175.30109.6C131 T132K122-C131 CarbonylContact C-O 3.53Å; K122-C131 VanDerWaalsContact CA-O 3.29Å; K122-C131 WeakPolarHBondContact CA-O 3.43Å; K122-T132 HydrophobicContact CG-CG2 3.99Å
123F93.9Very high89.6Confident16 Ų1669.9 Ų69.97%0.0738%0.379CS..EExtended strand (participates in β ladder)trans-139.3161.3179.668.3-84.6000111.1F112 Y117 P125 C131 I138F112-F123 HydrophobicContact CB-CE2 4.18Å; F112-F123 HydrophobicContact CB-CZ 3.96Å; F112-F123 AromaticContact CD1-CE2 3.62Å; F112-F123 HydrophobicContact CD1-CE2 3.62Å; F112-F123 HydrophobicContact CD1-CZ 4.18Å; F112-F123 HydrophobicContact CD2-CZ 4.46Å; F112-F123 HydrophobicContact CE1-CE2 4.15Å; F112-F123 AromaticContact CG-CE2 3.88Å; F112-F123 HydrophobicContact CG-CE2 3.88Å; F112-F123 AromaticContact CG-CZ 3.94Å; F112-F123 HydrophobicContact CG-CZ 3.94Å; Y117-F123 HydrophobicContact CD1-CB 3.82Å; Y117-F123 AromaticContact CD1-CD1 3.55Å; Y117-F123 HydrophobicContact CD1-CD1 3.55Å; Y117-F123 HydrophobicContact CD1-CE1 4.25Å; Y117-F123 AromaticContact CD1-CG 3.76Å; Y117-F123 HydrophobicContact CD1-CG 3.76Å; Y117-F123 HydrophobicContact CD2-CD1 4.06Å; Y117-F123 AromaticContact CD2-CE1 3.94Å; Y117-F123 HydrophobicContact CD2-CE1 3.94Å; Y117-F123 HydrophobicContact CD2-CG 4.42Å; Y117-F123 HydrophobicContact CD2-CZ 4.21Å; Y117-F123 HydrophobicContact CE1-CB 3.27Å; Y117-F123 AromaticContact CE1-CD1 3.7Å; Y117-F123 HydrophobicContact CE1-CD1 3.7Å; Y117-F123 AromaticContact CE1-CD2 3.94Å; Y117-F123 HydrophobicContact CE1-CD2 3.94Å; Y117-F123 HydrophobicContact CE1-CE1 4.5Å; Y117-F123 AromaticContact CE1-CG 3.37Å; Y117-F123 HydrophobicContact CE1-CG 3.37Å; Y117-F123 HydrophobicContact CE2-CD1 4.19Å; Y117-F123 HydrophobicContact CE2-CD2 4.03Å; Y117-F123 HydrophobicContact CE2-CE1 4.21Å; Y117-F123 HydrophobicContact CE2-CE2 4.06Å; Y117-F123 HydrophobicContact CE2-CG 4.11Å; Y117-F123 HydrophobicContact CE2-CZ 4.14Å; Y117-F123 AromaticContact CG-CD1 3.73Å; Y117-F123 HydrophobicContact CG-CD1 3.73Å; Y117-F123 AromaticContact CG-CE1 3.95Å; Y117-F123 HydrophobicContact CG-CE1 3.95Å; Y117-F123 HydrophobicContact CG-CG 4.25Å; Y117-F123 AromaticContact CZ-CD2 3.6Å; Y117-F123 AromaticContact CZ-CG 3.55Å; F123-P125 HydrophobicContact CE2-CB 4.3Å; F123-P125 HydrophobicContact CE2-CG 4.26Å; F123-C131 HydrophobicContact CD1-CB 4.09Å; F123-C131 HydrophobicContact CD2-CB 4.17Å; F123-C131 HydrophobicContact CE1-CB 3.64Å; F123-C131 HydrophobicContact CE2-CB 3.73Å; F123-C131 HydrophobicContact CG-CB 4.33Å; F123-C131 HydrophobicContact CZ-CB 3.44Å; F123-C131 VanDerWaalsContact CZ-CB 3.44Å; F123-C131 PolarHBondContact N-O 3.12Å; F123-C131 PolarHBondContact O-N 3.07Å; F123-I138 HydrophobicContact CE1-CG2 4.12Å; F123-I138 HydrophobicContact CZ-CD1 4.21Å; F123-I138 HydrophobicContact CZ-CG2 3.76Å
124Q92.9Very high89.6Confident94 Ų9471 Ų7144%0.43937%0.372SS..EExtended strand (participates in β ladder)trans-124.891.2-174.3-175.1179.3-58.400109.4S126 F129 R143Q124-S126 WeakPolarHBondContact CG-O 3.11Å; Q124-S126 PolarHBondContact O-N 2.79Å; Q124-F129 VanDerWaalsContact CG-O 3.3Å; Q124-F129 WeakPolarHBondContact CG-O 3.36Å; Q124-R143 VanDerWaalsContact CD-NH1 3.33Å
125P90.8Very high89.4Confident59 Ų5972.8 Ų72.838%0.38336%0.364SS..EExtended strand (participates in β ladder)trans-67.7-25.3-176.628.5-36.1000112.7F112 F123 F129 C131F112-P125 HydrophobicContact CD1-CB 4.4Å; F112-P125 HydrophobicContact CE1-CB 3.53Å; F112-P125 HydrophobicContact CE1-CG 4.32Å; F112-P125 HydrophobicContact CZ-CB 4.06Å; F112-P125 HydrophobicContact CZ-CG 4.48Å; F123-P125 HydrophobicContact CE2-CB 4.3Å; F123-P125 HydrophobicContact CE2-CG 4.26Å; P125-F129 HydrophobicContact CG-CB 4.28Å; P125-C131 VanDerWaalsContact CD-SG 3.57Å; P125-C131 VanDerWaalsContact CG-SG 3.51Å
126S89.1Confident89Confident48 Ų4871.2 Ų71.234%0.33636%0.363SS..EExtended strand (participates in β ladder)trans-150.3165.2168.774.10000109.5Q124 K128 F129Q124-S126 WeakPolarHBondContact CG-O 3.11Å; Q124-S126 PolarHBondContact O-N 2.79Å; S126-K128 PolarHBondContact O-N 2.87Å; S126-K128 PolarHBondContact OG-N 2.92Å; S126-F129 PolarHBondContact O-N 2.78Å; S126-F129 VanDerWaalsContact O-N 3.15Å
127C89.6Confident88.9Confident54 Ų5473 Ų7337%0.36537%0.369SS..THydrogen-bonded Turntrans-58.5-22176.478.70000113C167C127-C167 VanDerWaalsContact CA-SG 3.51Å; C127-C167 HydrophobicContact CB-CB 3.78Å; C127-C167 WeakPolarHBondContact CB-SG 3.33Å; C127-C167 PolarHBondContact O-SG 2.85Å; C127-C167 WeakPolarHBondContact SG-CA 2.93Å; C127-C167 WeakPolarHBondContact SG-CB 3.44Å; C127-C167 CovalentContact SG-SG 2.03Å; C127-C167 PolarHBondContact SG-SG 3.04Å
128K89.1Confident89.1Confident54 Ų5473.6 Ų73.624%0.23537%0.374CS..THydrogen-bonded Turntrans-81.4-18.8-178.3-60.5-174.6-176.5179.70113.2S126 R143 E162 C167 E169S126-K128 PolarHBondContact O-N 2.87Å; S126-K128 PolarHBondContact OG-N 2.92Å; K128-R143 PolarHBondContact O-N 2.87Å; K128-E162 IonicContact NZ-OE1 2.68Å; K128-E162 PolarHBondContact NZ-OE1 2.75Å; K128-C167 WeakPolarHBondContact CE-O 3.29Å; K128-E169 IonicContact NZ-OE1 3.14Å; K128-E169 PolarHBondContact NZ-OE1 2.86Å
129F90.9Very high89.2Confident97 Ų9766.8 Ų66.843%0.42536%0.362SS..EExtended strand (participates in β ladder)trans-135.9140.4-172.6-67.5-79.2000113.2Q124 P125 S126 V141 P142Q124-F129 VanDerWaalsContact CG-O 3.3Å; Q124-F129 WeakPolarHBondContact CG-O 3.36Å; P125-F129 HydrophobicContact CG-CB 4.28Å; S126-F129 PolarHBondContact O-N 2.78Å; S126-F129 VanDerWaalsContact O-N 3.15Å; F129-V141 WeakPolarHBondContact CA-O 3.32Å; F129-P142 HydrophobicContact CD1-CB 4.44Å; F129-P142 HydrophobicContact CE1-CB 4.26Å
130Q94.2Very high89.6Confident71 Ų7167.7 Ų67.733%0.33237%0.368SS..EExtended strand (participates in β ladder)trans-117.5122.6169.4-175.6171.6-46.900109.2C140 V141 R143Q130-C140 CarbonylContact O-C 3.51Å; Q130-C140 WeakPolarHBondContact O-CA 3.48Å; Q130-V141 HydrophobicContact CB-CG2 4.18Å; Q130-V141 PolarHBondContact N-O 2.81Å; Q130-V141 WeakPolarHBondContact O-CG2 3.26Å; Q130-V141 PolarHBondContact O-N 2.87Å; Q130-R143 HydrophobicContact CB-CG 3.98Å
131C93.9Very high90.1Very high0 Ų069.6 Ų69.60%037%0.369CS..EExtended strand (participates in β ladder)trans-110.8153.6-175.5-56.40000111.4K122 F123 P125 I138 G139 C140K122-C131 CarbonylContact C-O 3.53Å; K122-C131 VanDerWaalsContact CA-O 3.29Å; K122-C131 WeakPolarHBondContact CA-O 3.43Å; F123-C131 HydrophobicContact CD1-CB 4.09Å; F123-C131 HydrophobicContact CD2-CB 4.17Å; F123-C131 HydrophobicContact CE1-CB 3.64Å; F123-C131 HydrophobicContact CE2-CB 3.73Å; F123-C131 HydrophobicContact CG-CB 4.33Å; F123-C131 HydrophobicContact CZ-CB 3.44Å; F123-C131 VanDerWaalsContact CZ-CB 3.44Å; F123-C131 PolarHBondContact N-O 3.12Å; F123-C131 PolarHBondContact O-N 3.07Å; P125-C131 VanDerWaalsContact CD-SG 3.57Å; P125-C131 VanDerWaalsContact CG-SG 3.51Å; C131-I138 HydrophobicContact CB-CG2 3.94Å; C131-G139 CarbonylContact C-O 3.6Å; C131-G139 VanDerWaalsContact CA-O 3.27Å; C131-G139 WeakPolarHBondContact CA-O 2.82Å; C131-C140 HydrophobicContact CB-CB 4.11Å; C131-C140 WeakPolarHBondContact CB-SG 3.4Å; C131-C140 WeakPolarHBondContact SG-CB 3.45Å; C131-C140 CovalentContact SG-SG 2.04Å; C131-C140 PolarHBondContact SG-SG 2.71Å
132T93.9Very high90.3Very high27 Ų2768.8 Ų68.817%0.16637%0.371CS..EExtended strand (participates in β ladder)trans-134.1130.3173.5-50.60000108.6E121 K122 R134 G139E121-T132 CarbonylContact O-C 3.6Å; E121-T132 WeakPolarHBondContact O-CA 2.87Å; K122-T132 HydrophobicContact CG-CG2 3.99Å; T132-R134 HydrophobicContact CG2-CG 4.21Å; T132-G139 PolarHBondContact N-O 2.71Å; T132-G139 PolarHBondContact O-N 3.2Å
133C90.6Very high90.2Very high0 Ų068.5 Ų68.50%037%0.366CS..EExtended strand (participates in β ladder)trans-78.8130.1168.7175.90000109.4C110 Y117 R118 G120 E121C110-C133 HydrophobicContact CB-CB 3.7Å; C110-C133 WeakPolarHBondContact CB-SG 3.31Å; C110-C133 PolarHBondContact N-SG 2.03Å; C110-C133 WeakPolarHBondContact SG-CA 3.48Å; C110-C133 WeakPolarHBondContact SG-CB 3.46Å; C110-C133 CovalentContact SG-SG 2.03Å; C110-C133 PolarHBondContact SG-SG 3.18Å; Y117-C133 PolarHBondContact O-SG 2.99Å; Y117-C133 VanDerWaalsContact O-SG 3.41Å; R118-C133 WeakPolarHBondContact O-CB 3.38Å; G120-C133 WeakPolarHBondContact CA-O 3.28Å; G120-C133 PolarHBondContact N-O 2.83Å; E121-C133 PolarHBondContact O-N 2.84Å
134R86.8Confident89.9Confident177 Ų17768.7 Ų68.767%0.66837%0.369SS*.EExtended strand (participates in β ladder)trans-139.8113.3170.9-67.7-171.1-179.8-156.3-0.6108.2T132 G136 Q137T132-R134 HydrophobicContact CG2-CG 4.21Å; R134-G136 VanDerWaalsContact C-N 3.33Å; R134-G136 PolarHBondContact O-N 3.33Å; R134-Q137 PolarHBondContact N-O 2.8Å; R134-Q137 PolarHBondContact O-N 2.84Å
135D80.9Confident89.2Confident109 Ų10971.3 Ų71.358%0.58338%0.382SS*.THydrogen-bonded Turntrans49.352.6170.6-46.6-33.2000112.4G107 D108 S119 Q137G107-D135 WeakPolarHBondContact CA-OD1 3.33Å; D108-D135 CarbonylContact O-C 3.19Å; S119-D135 PolarHBondContact OG-N 3.03Å; S119-D135 PolarHBondContact OG-OD1 3.06Å; D135-Q137 PolarHBondContact O-N 2.9Å
136G82.1Confident88.5Confident40 Ų4074.6 Ų74.641%0.41240%0.395SS..THydrogen-bonded Turntrans81.8-7.417800000114.7D108 R134D108-G136 WeakPolarHBondContact O-CA 3.28Å; D108-G136 PolarHBondContact O-N 3.01Å; R134-G136 VanDerWaalsContact C-N 3.33Å; R134-G136 PolarHBondContact O-N 3.33Å
137Q83.4Confident87.8Confident152 Ų15276.6 Ų76.671%0.7140%0.402SS*.EExtended strand (participates in β ladder)trans-110.1140.8179.7-163.8170.455.500112.4C110 R134 D135C110-Q137 PolarHBondContact SG-O 3.18Å; C110-Q137 VanDerWaalsContact SG-O 3.38Å; R134-Q137 PolarHBondContact N-O 2.8Å; R134-Q137 PolarHBondContact O-N 2.84Å; D135-Q137 PolarHBondContact O-N 2.9Å
138I92.8Very high86.9Confident50 Ų5079.5 Ų79.526%0.25642%0.418SS..EExtended strand (participates in β ladder)trans-104.2117.7-179.9-60.3173.3000109.2C110 F112 F123 C131C110-I138 HydrophobicContact CB-CD1 3.84Å; C110-I138 HydrophobicContact CB-CG1 3.51Å; F112-I138 HydrophobicContact CB-CD1 3.54Å; F112-I138 HydrophobicContact CD2-CD1 3.76Å; F112-I138 HydrophobicContact CG-CD1 4.04Å; F123-I138 HydrophobicContact CE1-CG2 4.12Å; F123-I138 HydrophobicContact CZ-CD1 4.21Å; F123-I138 HydrophobicContact CZ-CG2 3.76Å; C131-I138 HydrophobicContact CB-CG2 3.94Å
139G89.6Confident86.1Confident44 Ų4479.2 Ų79.245%0.45442%0.419SS..EExtended strand (participates in β ladder)trans-103.9123.3170.700000110.7C131 T132C131-G139 CarbonylContact C-O 3.6Å; C131-G139 VanDerWaalsContact CA-O 3.27Å; C131-G139 WeakPolarHBondContact CA-O 2.82Å; T132-G139 PolarHBondContact N-O 2.71Å; T132-G139 PolarHBondContact O-N 3.2Å
140C93.3Very high85.1Confident60 Ų6080.6 Ų80.641%0.40543%0.43SS..EExtended strand (participates in β ladder)trans-113.1136.7177.4-58.70000111.4Q130 C131Q130-C140 CarbonylContact O-C 3.51Å; Q130-C140 WeakPolarHBondContact O-CA 3.48Å; C131-C140 HydrophobicContact CB-CB 4.11Å; C131-C140 WeakPolarHBondContact CB-SG 3.4Å; C131-C140 WeakPolarHBondContact SG-CB 3.45Å; C131-C140 CovalentContact SG-SG 2.04Å; C131-C140 PolarHBondContact SG-SG 2.71Å
141V93Very high84.2Confident87 Ų8781.6 Ų81.653%0.52744%0.442SS..EExtended strand (participates in β ladder)trans-112.4138.3172.1-640000110F129 Q130F129-V141 WeakPolarHBondContact CA-O 3.32Å; Q130-V141 HydrophobicContact CB-CG2 4.18Å; Q130-V141 PolarHBondContact N-O 2.81Å; Q130-V141 WeakPolarHBondContact O-CG2 3.26Å; Q130-V141 PolarHBondContact O-N 2.87Å
142P92.7Very high82.9Confident62 Ų6287 Ų8740%0.40347%0.468SS..EExtended strand (participates in β ladder)trans-69.1133.8175.829.4-33.7000109.9F129 L146F129-P142 HydrophobicContact CD1-CB 4.44Å; F129-P142 HydrophobicContact CE1-CB 4.26Å; P142-L146 HydrophobicContact CB-CD1 3.96Å; P142-L146 HydrophobicContact CB-CG 4.33Å; P142-L146 HydrophobicContact CG-CD1 3.61Å; P142-L146 HydrophobicContact CG-CG 4.37Å
143R90Very high81.7Confident137 Ų13791.6 Ų91.652%0.51750%0.498SS..SBendtrans-86.3-20.9172.7-63-169.566.2-157.8-9.3112.4Q124 K128 Q130Q124-R143 VanDerWaalsContact CD-NH1 3.33Å; K128-R143 PolarHBondContact O-N 2.87Å; Q130-R143 HydrophobicContact CB-CG 3.98Å
144C88.4Confident80.7Confident21 Ų2198.6 Ų98.614%0.14254%0.536CS..SBendtrans-89.5147.5176.2-62.50000111.1L146 C168C144-L146 PolarHBondContact O-N 2.99Å; C144-C168 WeakPolarHBondContact CA-SG 3.1Å; C144-C168 HydrophobicContact CB-CB 3.77Å; C144-C168 WeakPolarHBondContact CB-SG 3.27Å; C144-C168 WeakPolarHBondContact SG-CA 3.35Å; C144-C168 WeakPolarHBondContact SG-CB 3.24Å; C144-C168 CovalentContact SG-SG 2.05Å; C144-C168 PolarHBondContact SG-SG 3.05Å
145Q79.1Confident80Confident149 Ų14990.4 Ų90.470%0.69651%0.505SS*.  trans-63.4119168.9-89.9165.2-7.500110.1D147 K160Q145-D147 HydrophobicContact CB-CB 4.47Å; Q145-D147 WeakPolarHBondContact CB-OD2 3.3Å; Q145-D147 WeakPolarHBondContact CG-OD2 3.05Å; Q145-D147 PolarHBondContact O-N 2.95Å; Q145-D147 PolarHBondContact OE1-OD2 2.79Å; Q145-K160 PolarHBondContact O-NZ 2.8Å
146L75.7Confident79.7Confident128 Ų12889 Ų8967%0.6750%0.502SS*.  trans-84.124.9172.7-73.1169.4000111.7P142 C144P142-L146 HydrophobicContact CB-CD1 3.96Å; P142-L146 HydrophobicContact CB-CG 4.33Å; P142-L146 HydrophobicContact CG-CD1 3.61Å; P142-L146 HydrophobicContact CG-CG 4.37Å; C144-L146 PolarHBondContact O-N 2.99Å
147D73.1Confident79.4Confident89 Ų8990.3 Ų90.348%0.47651%0.509SS..  trans-64.2138.1-176.3-57.5-16.4000110.4Q145 W171Q145-D147 HydrophobicContact CB-CB 4.47Å; Q145-D147 WeakPolarHBondContact CB-OD2 3.3Å; Q145-D147 WeakPolarHBondContact CG-OD2 3.05Å; Q145-D147 PolarHBondContact O-N 2.95Å; Q145-D147 PolarHBondContact OE1-OD2 2.79Å; D147-W171 VanDerWaalsContact O-CZ2 3.32Å; D147-W171 WeakPolarHBondContact O-CZ2 3.46Å; D147-W171 PolarHBondContact O-NE1 3.05Å
148V71.9Confident79.4Confident115 Ų11584.5 Ų84.570%0.69748%0.484SS*.  trans-96.4114.8176.5179.20000107.7L150V148-L150 HydrophobicContact CG1-CD2 4.44Å; V148-L150 PolarHBondContact O-N 3.04Å
149L71.6Confident78.8Confident49 Ų4989.4 Ų89.426%0.25750%0.5SS..  trans-82112.6170.6-171.363.3000108.3P158 W171L149-P158 HydrophobicContact CB-CB 4.06Å; L149-P158 HydrophobicContact CD2-CB 3.64Å; L149-P158 HydrophobicContact CG-CB 3.88Å; L149-P158 HydrophobicContact CG-CG 4.42Å; L149-P158 VanDerWaalsContact O-CG 3.28Å; L149-P158 WeakPolarHBondContact O-CG 3.48Å; L149-W171 HydrophobicContact CB-CD2 3.41Å; L149-W171 VanDerWaalsContact CB-CD2 3.41Å; L149-W171 VanDerWaalsContact CB-CE2 3.44Å; L149-W171 HydrophobicContact CB-CE3 3.81Å; L149-W171 HydrophobicContact CB-CG 3.74Å; L149-W171 HydrophobicContact CB-CH2 4.23Å; L149-W171 HydrophobicContact CB-CZ2 3.89Å; L149-W171 HydrophobicContact CB-CZ3 4.19Å; L149-W171 HydrophobicContact CD2-CB 3.56Å; L149-W171 HydrophobicContact CD2-CD2 3.98Å; L149-W171 HydrophobicContact CD2-CE3 4.24Å; L149-W171 HydrophobicContact CD2-CG 3.67Å; L149-W171 HydrophobicContact CG-CD2 4.35Å; L149-W171 HydrophobicContact CG-CG 4.35Å; L149-W171 VanDerWaalsContact N-CZ2 3.26Å
150L70.5Confident78.6Confident126 Ų12690.1 Ų90.166%0.6649%0.49SS*.PPolyproline II helixtrans-72.7154171.8-66.3175.3000109.5V148 E152V148-L150 HydrophobicContact CG1-CD2 4.44Å; V148-L150 PolarHBondContact O-N 3.04Å; L150-E152 PolarHBondContact O-N 2.8Å; L150-E152 VanDerWaalsContact O-N 3.07Å
151P74.8Confident78.2Confident91 Ų9188.5 Ų88.559%0.59148%0.478SS*.PPolyproline II helixtrans-55.6116.3171.7-26.436000110.9C155P151-C155 WeakPolarHBondContact CA-O 3.41Å
152E67.4Low77.9Confident113 Ų11391.2 Ų91.253%0.52849%0.485SS..BIsolated β-bridgetrans-103.2160174.9-70.7-168.8158.400109.9L150 N154 C155L150-E152 PolarHBondContact O-N 2.8Å; L150-E152 VanDerWaalsContact O-N 3.07Å; E152-N154 PolarHBondContact O-N 2.02Å; E152-N154 VanDerWaalsContact O-N 3.09Å; E152-C155 HydrophobicContact CB-CB 4.38Å; E152-C155 PolarHBondContact N-O 2.91Å; E152-C155 CarbonylContact O-C 3.53Å; E152-C155 WeakPolarHBondContact O-CA 3.5Å; E152-C155 PolarHBondContact O-N 3.5Å
153P68Low77.6Confident124 Ų12490.5 Ų90.581%0.80548%0.48SS*.THydrogen-bonded Turntrans-54.7-30.6179.2-26.234.7000114.1
154N70.5Confident77.5Confident148 Ų14890 Ų9079%0.79149%0.494SS*.THydrogen-bonded Turntrans-97.63.8177.9-62.6-10.6000112.7E152E152-N154 PolarHBondContact O-N 2.02Å; E152-N154 VanDerWaalsContact O-N 3.09Å
155C72Confident77.4Confident4 Ų493.2 Ų93.23%0.02753%0.531CS..BIsolated β-bridgetrans-152.571.1-179.1-160.40000110.1P151 E152 A157 P158 C173P151-C155 WeakPolarHBondContact CA-O 3.41Å; E152-C155 HydrophobicContact CB-CB 4.38Å; E152-C155 PolarHBondContact N-O 2.91Å; E152-C155 CarbonylContact O-C 3.53Å; E152-C155 WeakPolarHBondContact O-CA 3.5Å; E152-C155 PolarHBondContact O-N 3.5Å; C155-A157 VanDerWaalsContact C-N 3.28Å; C155-A157 PolarHBondContact O-N 2.9Å; C155-P158 WeakPolarHBondContact O-CD 3.08Å; C155-C173 HydrophobicContact CB-CB 3.98Å; C155-C173 WeakPolarHBondContact CB-SG 3.01Å; C155-C173 VanDerWaalsContact SG-CA 3.59Å; C155-C173 WeakPolarHBondContact SG-CB 3.38Å; C155-C173 CovalentContact SG-SG 2.02Å; C155-C173 PolarHBondContact SG-SG 3.49Å
156P74.3Confident77.9Confident80 Ų8090.9 Ų90.952%0.51952%0.52SS..SBendtrans-70.7-24.2-172.726.7-34.3000113.2
157A75.3Confident78.5Confident68 Ų6886.8 Ų86.856%0.56250%0.502SS*.SBendtrans-130.274178.200000110.6C155 R159C155-A157 VanDerWaalsContact C-N 3.28Å; C155-A157 PolarHBondContact O-N 2.9Å; A157-R159 PolarHBondContact O-N 2.86Å
158P82.6Confident79.2Confident29 Ų2984.6 Ų84.619%0.18849%0.493CS..EExtended strand (participates in β ladder)trans-67128178.727.8-31.7000109.8L149 C155 W171L149-P158 HydrophobicContact CB-CB 4.06Å; L149-P158 HydrophobicContact CD2-CB 3.64Å; L149-P158 HydrophobicContact CG-CB 3.88Å; L149-P158 HydrophobicContact CG-CG 4.42Å; L149-P158 VanDerWaalsContact O-CG 3.28Å; L149-P158 WeakPolarHBondContact O-CG 3.48Å; C155-P158 WeakPolarHBondContact O-CD 3.08Å; P158-W171 HydrophobicContact CB-CE3 3.73Å; P158-W171 HydrophobicContact CB-CZ3 3.91Å
159R81.9Confident80Confident153 Ų15382.6 Ų82.658%0.57748%0.476SS*.EExtended strand (participates in β ladder)trans-123129176.2-177.1175.270.5142.4-3.4109.7A157 V161 W171 I172A157-R159 PolarHBondContact O-N 2.86Å; R159-V161 HydrophobicContact CG-CG1 3.87Å; R159-V161 VanDerWaalsContact CZ-CG1 3.43Å; R159-V161 VanDerWaalsContact NE-CG1 3.28Å; R159-W171 VanDerWaalsContact C-CE3 3.49Å; R159-I172 HydrophobicContact CB-CG1 4.37Å; R159-I172 PolarHBondContact N-O 3.43Å; R159-I172 WeakPolarHBondContact O-CG1 2.99Å; R159-I172 PolarHBondContact O-N 2.84Å
160K83.9Confident80.6Confident60 Ų6084.8 Ų84.826%0.26148%0.484SS..EExtended strand (participates in β ladder)trans-79.2125.3169.5-129.5179.9177.8169.60109Q145 E169 W171Q145-K160 PolarHBondContact O-NZ 2.8Å; K160-E169 HydrophobicContact CB-CB 4.42Å; K160-E169 HydrophobicContact CD-CB 3.93Å; K160-E169 HydrophobicContact CG-CB 3.71Å; K160-W171 HydrophobicContact CB-CD2 4.47Å; K160-W171 HydrophobicContact CB-CE3 4.23Å; K160-W171 HydrophobicContact CB-CH2 4.33Å; K160-W171 HydrophobicContact CB-CZ3 4.18Å; K160-W171 HydrophobicContact CD-CZ2 4.14Å; K160-W171 HydrophobicContact CG-CD2 4.06Å; K160-W171 HydrophobicContact CG-CE3 4.32Å; K160-W171 HydrophobicContact CG-CZ2 4.22Å
161V85.8Confident81.2Confident25 Ų2583 Ų8315%0.15247%0.468CS..EExtended strand (participates in β ladder)trans-130.2149.9179.3-62.80000111.2R159 V163 E169 K170 I172R159-V161 HydrophobicContact CG-CG1 3.87Å; R159-V161 VanDerWaalsContact CZ-CG1 3.43Å; R159-V161 VanDerWaalsContact NE-CG1 3.28Å; V161-V163 HydrophobicContact CG2-CG2 4.41Å; V161-E169 VanDerWaalsContact O-CA 3.28Å; V161-E169 WeakPolarHBondContact O-CA 3.28Å; V161-E169 WeakPolarHBondContact O-CB 3.18Å; V161-K170 PolarHBondContact N-O 3.07Å; V161-K170 PolarHBondContact O-N 2.91Å; V161-I172 HydrophobicContact CB-CD1 4.3Å; V161-I172 HydrophobicContact CB-CG1 4.35Å; V161-I172 HydrophobicContact CG1-CD1 3.6Å; V161-I172 HydrophobicContact CG1-CG1 3.75Å; V161-I172 HydrophobicContact CG2-CB 4.22Å; V161-I172 HydrophobicContact CG2-CD1 3.74Å; V161-I172 HydrophobicContact CG2-CG1 3.65Å; V161-I172 HydrophobicContact CG2-CG2 3.58Å
162E86.4Confident81.6Confident144 Ų14481.4 Ų81.467%0.67345%0.454SS*.  trans-73127.7170.3-64-167.5143.300109.5K128 E169K128-E162 IonicContact NZ-OE1 2.68Å; K128-E162 PolarHBondContact NZ-OE1 2.75Å; E162-E169 HydrophobicContact CG-CG 3.86Å
163V85.6Confident82Confident47 Ų4779 Ų7929%0.28545%0.449SS..  trans-106.1128.4179.7179.80000108.3V161 G165 E166 K170V161-V163 HydrophobicContact CG2-CG2 4.41Å; V163-G165 PolarHBondContact O-N 3.32Å; V163-E166 HydrophobicContact CB-CB 4.15Å; V163-E166 HydrophobicContact CB-CG 4.28Å; V163-E166 HydrophobicContact CG1-CB 4.48Å; V163-E166 HydrophobicContact CG1-CG 4.12Å; V163-E166 PolarHBondContact O-N 2.79Å; V163-E166 VanDerWaalsContact O-N 3.14Å; V163-K170 HydrophobicContact CG2-CB 3.96Å; V163-K170 HydrophobicContact CG2-CD 4.3Å; V163-K170 HydrophobicContact CG2-CG 4.23Å
164P88.4Confident81.9Confident127 Ų12774.7 Ų74.783%0.82543%0.427SS*.THydrogen-bonded Turntrans-55.6129.1178.7-25.634.1000112.2E166P164-E166 VanDerWaalsContact C-N 3.3Å; P164-E166 PolarHBondContact O-N 3.15Å
165G86.6Confident81Confident89 Ų8973.7 Ų73.792%0.91843%0.429SS*.THydrogen-bonded Turntrans83.6-4.3178.700000115.4V163V163-G165 PolarHBondContact O-N 3.32Å
166E89.1Confident79.8Confident100 Ų10079 Ų7947%0.46746%0.456SS..  trans-106.8140.9176.2-69.5-80.1-162.400110.3V163 P164 K170V163-E166 HydrophobicContact CB-CB 4.15Å; V163-E166 HydrophobicContact CB-CG 4.28Å; V163-E166 HydrophobicContact CG1-CB 4.48Å; V163-E166 HydrophobicContact CG1-CG 4.12Å; V163-E166 PolarHBondContact O-N 2.79Å; V163-E166 VanDerWaalsContact O-N 3.14Å; P164-E166 VanDerWaalsContact C-N 3.3Å; P164-E166 PolarHBondContact O-N 3.15Å; E166-K170 IonicContact OE1-NZ 3.74Å; E166-K170 PolarHBondContact OE1-NZ 2.82Å
167C88.2Confident78.3Confident42 Ų4284.6 Ų84.628%0.28448%0.476SS..SBendtrans-73.4-41.1177.1173.80000112.6C127 K128C127-C167 VanDerWaalsContact CA-SG 3.51Å; C127-C167 HydrophobicContact CB-CB 3.78Å; C127-C167 WeakPolarHBondContact CB-SG 3.33Å; C127-C167 PolarHBondContact O-SG 2.85Å; C127-C167 WeakPolarHBondContact SG-CA 2.93Å; C127-C167 WeakPolarHBondContact SG-CB 3.44Å; C127-C167 CovalentContact SG-SG 2.03Å; C127-C167 PolarHBondContact SG-SG 3.04Å; K128-C167 WeakPolarHBondContact CE-O 3.29Å
168C88.8Confident76.6Confident43 Ų4389.9 Ų89.929%0.29149%0.489SS..SBendtrans-98.1141-173.3-60.90000110.8C144C144-C168 WeakPolarHBondContact CA-SG 3.1Å; C144-C168 HydrophobicContact CB-CB 3.77Å; C144-C168 WeakPolarHBondContact CB-SG 3.27Å; C144-C168 WeakPolarHBondContact SG-CA 3.35Å; C144-C168 WeakPolarHBondContact SG-CB 3.24Å; C144-C168 CovalentContact SG-SG 2.05Å; C144-C168 PolarHBondContact SG-SG 3.05Å
169E87.5Confident74.2Confident72 Ų7295.3 Ų95.334%0.33652%0.516SS..  trans-64.9139.9173.5-63.5147.1-16900110K128 K160 V161 E162K128-E169 IonicContact NZ-OE1 3.14Å; K128-E169 PolarHBondContact NZ-OE1 2.86Å; K160-E169 HydrophobicContact CB-CB 4.42Å; K160-E169 HydrophobicContact CD-CB 3.93Å; K160-E169 HydrophobicContact CG-CB 3.71Å; V161-E169 VanDerWaalsContact O-CA 3.28Å; V161-E169 WeakPolarHBondContact O-CA 3.28Å; V161-E169 WeakPolarHBondContact O-CB 3.18Å; E162-E169 HydrophobicContact CG-CG 3.86Å
170K84.6Confident72.1Confident96 Ų9692.1 Ų92.142%0.41752%0.517SS..EExtended strand (participates in β ladder)trans-108.5150.5176.2-66.4-175.1-176.8172.80109.9V161 V163 E166 I172V161-K170 PolarHBondContact N-O 3.07Å; V161-K170 PolarHBondContact O-N 2.91Å; V163-K170 HydrophobicContact CG2-CB 3.96Å; V163-K170 HydrophobicContact CG2-CD 4.3Å; V163-K170 HydrophobicContact CG2-CG 4.23Å; E166-K170 IonicContact OE1-NZ 3.74Å; E166-K170 PolarHBondContact OE1-NZ 2.82Å; K170-I172 PolarHBondContact O-N 2.74Å
171W84.1Confident69.9Low87 Ų8797.3 Ų97.333%0.3355%0.547SS..EExtended strand (participates in β ladder)trans-73.3126.9170.4-69.8106.4000109.2D147 L149 P158 R159 K160D147-W171 VanDerWaalsContact O-CZ2 3.32Å; D147-W171 WeakPolarHBondContact O-CZ2 3.46Å; D147-W171 PolarHBondContact O-NE1 3.05Å; L149-W171 HydrophobicContact CB-CD2 3.41Å; L149-W171 VanDerWaalsContact CB-CD2 3.41Å; L149-W171 VanDerWaalsContact CB-CE2 3.44Å; L149-W171 HydrophobicContact CB-CE3 3.81Å; L149-W171 HydrophobicContact CB-CG 3.74Å; L149-W171 HydrophobicContact CB-CH2 4.23Å; L149-W171 HydrophobicContact CB-CZ2 3.89Å; L149-W171 HydrophobicContact CB-CZ3 4.19Å; L149-W171 HydrophobicContact CD2-CB 3.56Å; L149-W171 HydrophobicContact CD2-CD2 3.98Å; L149-W171 HydrophobicContact CD2-CE3 4.24Å; L149-W171 HydrophobicContact CD2-CG 3.67Å; L149-W171 HydrophobicContact CG-CD2 4.35Å; L149-W171 HydrophobicContact CG-CG 4.35Å; L149-W171 VanDerWaalsContact N-CZ2 3.26Å; P158-W171 HydrophobicContact CB-CE3 3.73Å; P158-W171 HydrophobicContact CB-CZ3 3.91Å; R159-W171 VanDerWaalsContact C-CE3 3.49Å; K160-W171 HydrophobicContact CB-CD2 4.47Å; K160-W171 HydrophobicContact CB-CE3 4.23Å; K160-W171 HydrophobicContact CB-CH2 4.33Å; K160-W171 HydrophobicContact CB-CZ3 4.18Å; K160-W171 HydrophobicContact CD-CZ2 4.14Å; K160-W171 HydrophobicContact CG-CD2 4.06Å; K160-W171 HydrophobicContact CG-CE3 4.32Å; K160-W171 HydrophobicContact CG-CZ2 4.22Å
172I82.5Confident67.1Low59 Ų5999.5 Ų99.530%0.30358%0.575SS.*EExtended strand (participates in β ladder)trans-116.7146.4164.463.9163.5000108.7R159 V161 K170R159-I172 HydrophobicContact CB-CG1 4.37Å; R159-I172 PolarHBondContact N-O 3.43Å; R159-I172 WeakPolarHBondContact O-CG1 2.99Å; R159-I172 PolarHBondContact O-N 2.84Å; V161-I172 HydrophobicContact CB-CD1 4.3Å; V161-I172 HydrophobicContact CB-CG1 4.35Å; V161-I172 HydrophobicContact CG1-CD1 3.6Å; V161-I172 HydrophobicContact CG1-CG1 3.75Å; V161-I172 HydrophobicContact CG2-CB 4.22Å; V161-I172 HydrophobicContact CG2-CD1 3.74Å; V161-I172 HydrophobicContact CG2-CG1 3.65Å; V161-I172 HydrophobicContact CG2-CG2 3.58Å; K170-I172 PolarHBondContact O-N 2.74Å
173C76.1Confident65.1Low63 Ų6395.8 Ų95.843%0.42658%0.576SS.*EExtended strand (participates in β ladder)trans-92.7122.7165.9-47.50000105C155C155-C173 HydrophobicContact CB-CB 3.98Å; C155-C173 WeakPolarHBondContact CB-SG 3.01Å; C155-C173 VanDerWaalsContact SG-CA 3.59Å; C155-C173 WeakPolarHBondContact SG-CB 3.38Å; C155-C173 CovalentContact SG-SG 2.02Å; C155-C173 PolarHBondContact SG-SG 3.49Å
174G66.8Low62.7Low32 Ų3299.8 Ų99.833%0.3359%0.594SS.*PPolyproline II helixtrans-57152.2171.500000109.7D176G174-D176 PolarHBondContact O-N 2.91Å
175P50.4Low60.3Low128 Ų128100.4 Ų100.483%0.83160%0.596SS**PPolyproline II helixtrans-55.2131.1172.924.1-31.1000108.4E177P175-E177 PolarHBondContact O-N 2.93Å; P175-E177 VanDerWaalsContact O-N 3.14Å
176D46.8Very low58.4Low114 Ų114104.5 Ų104.561%0.6160%0.596SS**PPolyproline II helixtrans-52118.6169.8-57.5-56.8000107.2G174 E178G174-D176 PolarHBondContact O-N 2.91Å; D176-E178 PolarHBondContact O-N 2.88Å
177E42.3Very low56Low198 Ų198104.4 Ų104.493%0.92561%0.612SS**  trans-65.699.4144.5-65.9-141.3154.100104.1P175 D179P175-E177 PolarHBondContact O-N 2.93Å; P175-E177 VanDerWaalsContact O-N 3.14Å; E177-D179 PolarHBondContact O-N 2.82Å
178E39.3Very low53.6Low180 Ų180107.3 Ų107.384%0.84164%0.64SS**SBendtrans-34.9128169.9-74.2174.3122.300108.6D176D176-E178 PolarHBondContact O-N 2.88Å
179D33Very low51.4Low142 Ų142115.8 Ų115.876%0.75967%0.667SS**  -165.4123.757.3-17324000110.3E177E177-D179 PolarHBondContact O-N 2.82Å
180S37.1Very low49Very low86 Ų86121.7 Ų121.760%0.60169%0.686SS**  trans26.1122.4134.9-145.80000120.2
181L37.6Very low47Very low169 Ų169122.4 Ų122.489%0.88570%0.701SS**  153.1127.398.1-119.2135000112.4
182G28.5Very low44.8Very low72 Ų72125.6 Ų125.674%0.74272%0.719SS**  trans118.579.5149.500000116.2
183G42.8Very low43.1Very low66 Ų66127.1 Ų127.168%0.6874%0.74SS**  trans-61.1149.4172.100000113.7
184L35.5Very low41.6Very low130 Ų130130 Ų13068%0.68176%0.756SS**  trans-139.5119.6159.1-71.7175.4000109
185T37.6Very low40.5Very low140 Ų140136.5 Ų136.586%0.85978%0.783SS**  trans-41.6124.2173.451.20000113.3
186L47Very low39.8Very low176 Ų176134 Ų13492%0.92178%0.781SS**PPolyproline II helixtrans-84.2132.2166-11289.8000110.4
187A38.7Very low39.6Very low97 Ų97134.4 Ų134.480%0.80279%0.787SS**PPolyproline II helixtrans-61.6144.5-17800000113.1
188A38.8Very low39.3Very low104 Ų104134.2 Ų134.286%0.8679%0.786SS**PPolyproline II helixtrans-55.6131.4-179.200000113.3
189Y42.7Very low39.7Very low220 Ų220132 Ų13286%0.86378%0.784SS**PPolyproline II helixtrans-84.7130.7171.3-154.4-100.3000109.3
190R36.7Very low40.1Very low196 Ų196130.7 Ų130.774%0.7479%0.786SS**  trans-105.7125.8171.3-170.8-175.5178.393.5-0.6107.7E192R190-E192 IonicContact CZ-OE1 3.81Å; R190-E192 IonicContact NE-OE1 2.74Å; R190-E192 PolarHBondContact NE-OE1 2.04Å; R190-E192 IonicContact NH2-OE1 3.66Å
191P42.1Very low40.4Very low112 Ų112133.7 Ų133.773%0.72780%0.796SS**  trans-88.6109.9174.527.6-18.8000109.5
192E38.8Very low40.8Very low153 Ų153129.9 Ų129.972%0.71578%0.783SS**  trans-111.8106.5158.5-85.6165.6-164.500107.7R190R190-E192 IonicContact CZ-OE1 3.81Å; R190-E192 IonicContact NE-OE1 2.74Å; R190-E192 PolarHBondContact NE-OE1 2.04Å; R190-E192 IonicContact NH2-OE1 3.66Å
193A46.5Very low41.7Very low91 Ų91132.4 Ų132.475%0.75279%0.789SS**  trans-80.9134.3166.100000108.6
194T44Very low42.1Very low124 Ų124132.8 Ų132.876%0.76178%0.779SS**  -176.2125.312428.80000111.9
195L44.6Very low43.4Very low168 Ų168135.4 Ų135.488%0.8879%0.793SS**  trans63119.1135.3-61166.8000120.3
196G34.6Very low45.1Very low77 Ų77130.4 Ų130.479%0.79476%0.763SS**  trans171.574.6163.400000111.5
197V44Very low46.7Very low122 Ų122128.8 Ų128.874%0.73975%0.754SS**  trans-60.2127.8173.3171.60000110V199V197-V199 HydrophobicContact CG1-CG2 3.82Å
198E34.7Very low48.8Very low193 Ų193129.5 Ų129.590%0.90274%0.741SS**  trans-133.8112.4142.3-75.2-151.1164.100109.3S200E198-S200 PolarHBondContact O-N 3Å
199V48.2Very low50.8Low133 Ų133129.8 Ų129.881%0.80673%0.725SS**  trans-70.5121.5175175.60000108V197V197-V199 HydrophobicContact CG1-CG2 3.82Å
200S40.9Very low52.9Low115 Ų115122.3 Ų122.380%0.80470%0.702SS**  trans-135.398.7159.351.30000110.3E198E198-S200 PolarHBondContact O-N 3Å
201D44.1Very low55.3Low149 Ų149116.1 Ų116.180%0.79769%0.686SS**  trans36.7132.8141.4-137.8-3.6000121.9
202S46.8Very low57.4Low90 Ų90118.6 Ų118.663%0.62969%0.688SS**SBendtrans81.992.5158.670.20000120.4V204S202-V204 PolarHBondContact O-N 3.44Å; S202-V204 VanDerWaalsContact O-N 3.11Å
203S47.6Very low59.7Low124 Ų124113.6 Ų113.687%0.86766%0.662SS**SBendtrans60.524.4134.868.80000120.9
204V50Low61.7Low75 Ų75112.5 Ų112.546%0.45565%0.647SS.*  trans-131.4104.8161.1-152.30000109.1S202 C206 C235S202-V204 PolarHBondContact O-N 3.44Å; S202-V204 VanDerWaalsContact O-N 3.11Å; V204-C206 HydrophobicContact CG1-CB 4Å; V204-C206 VanDerWaalsContact CG1-SG 3.59Å; V204-C206 PolarHBondContact O-N 3.11Å; V204-C235 WeakPolarHBondContact CG1-SG 3.31Å
205N63.9Low63.7Low185 Ų185109.6 Ų109.699%0.98964%0.635SS**  trans-67.955.6169.2-81.9-19.6000109.8
206C73.3Confident65.8Low34 Ų34102.9 Ų102.923%0.2360%0.602CS.*  trans-126.5128176.283.40000110.8V204 E208 C235V204-C206 HydrophobicContact CG1-CB 4Å; V204-C206 VanDerWaalsContact CG1-SG 3.59Å; V204-C206 PolarHBondContact O-N 3.11Å; C206-E208 PolarHBondContact O-N 2.74Å; C206-C235 HydrophobicContact CB-CB 3.21Å; C206-C235 WeakPolarHBondContact CB-SG 3.39Å; C206-C235 WeakPolarHBondContact SG-CB 3.49Å; C206-C235 CovalentContact SG-SG 2.02Å; C206-C235 PolarHBondContact SG-SG 3.27Å
207I80.1Confident68.4Low142 Ų142102.8 Ų102.873%0.72859%0.589SS**  trans-70.1104.2175.9-60.4170.8000105.7Q209 N230I207-Q209 HydrophobicContact CG2-CG 4.35Å; I207-Q209 PolarHBondContact O-N 3.21Å; I207-Q209 VanDerWaalsContact O-N 3.12Å; I207-N230 PolarHBondContact O-ND2 2.82Å
208E82.8Confident70.3Confident112 Ų112102.3 Ų102.352%0.52358%0.577SS.*  trans-62.4116.4178-69.7-162.6171.200109.8C206 N230 R231C206-E208 PolarHBondContact O-N 2.74Å; E208-N230 WeakPolarHBondContact CA-OD1 3.49Å; E208-R231 IonicContact OE1-NE 3.67Å; E208-R231 IonicContact OE2-NE 2.77Å
209Q81.4Confident72.5Confident111 Ų11194.7 Ų94.752%0.51955%0.545SS..  trans-116.7120.5174.4-67.7-176-31.300107.7I207 T229 N230 M237I207-Q209 HydrophobicContact CG2-CG 4.35Å; I207-Q209 PolarHBondContact O-N 3.21Å; I207-Q209 VanDerWaalsContact O-N 3.12Å; Q209-T229 WeakPolarHBondContact O-CA 3.04Å; Q209-N230 PolarHBondContact N-OD1 2.99Å; Q209-N230 PolarHBondContact O-N 3.41Å; Q209-N230 VanDerWaalsContact O-N 3.12Å; Q209-N230 PolarHBondContact O-OD1 3.22Å; Q209-N230 VanDerWaalsContact O-OD1 3.06Å; Q209-M237 HydrophobicContact CB-SD 4.46Å
210T85.4Confident74.3Confident63 Ų6389.9 Ų89.939%0.38752%0.517SS..BIsolated β-bridgetrans-133.4119.1175.5-63.80000108.2T229T210-T229 PolarHBondContact OG1-OG1 3.09Å
211T88.1Confident76.5Confident65 Ų6585.1 Ų85.140%0.39949%0.486SS..PPolyproline II helixtrans-72.5157.1173.772.90000110.1V228T211-V228 HydrophobicContact CG2-CB 4.19Å; T211-V228 PolarHBondContact N-O 2.03Å; T211-V228 PolarHBondContact OG1-N 2.68Å; T211-V228 PolarHBondContact OG1-O 3.25Å
212E86.1Confident78.8Confident165 Ų16579.3 Ų79.377%0.77145%0.454SS*.PPolyproline II helixtrans-60.3157.9164-70.9-56.6140.400111.2
213W87.5Confident80.9Confident47 Ų4775 Ų7518%0.17842%0.424CS..PPolyproline II helixtrans-70.7135.9174.7-73.4100.1000110.9S225 R227 Q240 R242W213-S225 WeakPolarHBondContact CB-OG 3.44Å; W213-S225 WeakPolarHBondContact CZ3-O 3.35Å; W213-R227 HydrophobicContact CD2-CB 4.05Å; W213-R227 HydrophobicContact CD2-CG 4Å; W213-R227 VanDerWaalsContact CE2-CD 3.46Å; W213-R227 HydrophobicContact CE3-CB 3.88Å; W213-R227 HydrophobicContact CE3-CG 3.86Å; W213-R227 HydrophobicContact CH2-CG 3.78Å; W213-R227 HydrophobicContact CZ2-CG 3.92Å; W213-R227 VanDerWaalsContact CZ2-NE 3.25Å; W213-R227 HydrophobicContact CZ3-CB 4.21Å; W213-R227 HydrophobicContact CZ3-CG 3.74Å; W213-Q240 HydrophobicContact CH2-CB 4.15Å; W213-R242 VanDerWaalsContact CD1-CZ 3.43Å; W213-R242 HydrophobicContact CD2-CG 4.29Å; W213-R242 VanDerWaalsContact CD2-CZ 3.48Å; W213-R242 HydrophobicContact CE3-CG 3.77Å; W213-R242 HydrophobicContact CH2-CB 3.88Å; W213-R242 HydrophobicContact CH2-CG 3.8Å; W213-R242 HydrophobicContact CZ2-CG 4.29Å; W213-R242 HydrophobicContact CZ3-CB 3.93Å; W213-R242 HydrophobicContact CZ3-CG 3.51Å
214T87.1Confident83Confident69 Ų6973.2 Ų73.242%0.42340%0.401SS..PPolyproline II helixtrans-62.5157.6171.164.10000111S225 T226T214-S225 WeakPolarHBondContact O-CB 3.38Å; T214-S225 PolarHBondContact O-OG 2.83Å; T214-T226 WeakPolarHBondContact CG2-O 3.24Å; T214-T226 PolarHBondContact N-O 2.99Å; T214-T226 PolarHBondContact OG1-N 2.76Å; T214-T226 PolarHBondContact OG1-O 2.81Å; T214-T226 PolarHBondContact OG1-OG1 2.96Å
215A87.1Confident84.9Confident63 Ų6369.7 Ų69.752%0.52138%0.38SS..PPolyproline II helixtrans-52.8152.3167.500000111S217 P338A215-S217 PolarHBondContact O-N 3.38Å; A215-P338 HydrophobicContact CB-CB 4.18Å
216C88.1Confident86Confident26 Ų2662.4 Ų62.418%0.17634%0.342CS..PPolyproline II helixtrans-65.4132.8177.5-165.10000109.6K218 C244 V246C216-K218 PolarHBondContact O-N 3.26Å; C216-C244 WeakPolarHBondContact CA-SG 3.06Å; C216-C244 HydrophobicContact CB-CB 3.89Å; C216-C244 WeakPolarHBondContact CB-SG 3.35Å; C216-C244 WeakPolarHBondContact SG-CB 3.47Å; C216-C244 PolarHBondContact SG-O 2.93Å; C216-C244 CovalentContact SG-SG 2.04Å; C216-C244 PolarHBondContact SG-SG 3.4Å; C216-V246 HydrophobicContact CB-CG2 3.63Å
217S89.4Confident86.7Confident75 Ų7564 Ų6452%0.52434%0.343SS..SBendtrans-61.3-17-177.670.90000114.1A215 G223 F224A215-S217 PolarHBondContact O-N 3.38Å; S217-G223 WeakPolarHBondContact OG-CA 3.25Å; S217-F224 WeakPolarHBondContact CB-O 3.41Å; S217-F224 PolarHBondContact N-O 3.32Å; S217-F224 PolarHBondContact OG-N 3.28Å
218K84.2Confident87.1Confident113 Ų11359.7 Ų59.749%0.49132%0.323SS..  trans-127.4141.5175.4-61.8-168.4177.5-173.60110.3C216 C220C216-K218 PolarHBondContact O-N 3.26Å; K218-C220 VanDerWaalsContact C-N 3.34Å; K218-C220 VanDerWaalsContact CB-O 3.25Å; K218-C220 WeakPolarHBondContact CB-O 3.39Å
219S81.4Confident87.3Confident32 Ų3254.4 Ų54.422%0.22430%0.299CS..SBendtrans-77.9-20.5177.285.60000112.7R247S219-R247 WeakPolarHBondContact O-CG 3.01Å; S219-R247 PolarHBondContact O-NE 2.8Å; S219-R247 PolarHBondContact OG-NH2 2.97Å
220C85.9Confident87.6Confident32 Ų3249.7 Ų49.722%0.21628%0.277CS..SBendtrans-139.9162170.177.30000110.7K218 R247 C249K218-C220 VanDerWaalsContact C-N 3.34Å; K218-C220 VanDerWaalsContact CB-O 3.25Å; K218-C220 WeakPolarHBondContact CB-O 3.39Å; C220-R247 CarbonylContact C-O 3.58Å; C220-R247 VanDerWaalsContact CA-O 3.25Å; C220-R247 WeakPolarHBondContact CA-O 3.26Å; C220-R247 HydrophobicContact CB-CG 3.92Å; C220-C249 HydrophobicContact CB-CB 4.01Å; C220-C249 WeakPolarHBondContact CB-SG 3.43Å; C220-C249 WeakPolarHBondContact SG-CB 3.28Å; C220-C249 CovalentContact SG-SG 2.06Å; C220-C249 PolarHBondContact SG-SG 3.48Å
221G86.7Confident87.6Confident15 Ų1554.7 Ų54.716%0.15529%0.289CS..SBendtrans69.3-171.5-178.400000112.9M245 R247 C249G221-M245 WeakPolarHBondContact O-CA 3.46Å; G221-M245 WeakPolarHBondContact O-CG 3.36Å; G221-R247 PolarHBondContact N-O 2.74Å; G221-C249 PolarHBondContact N-SG 2.77Å
222M91.6Very high87.4Confident28 Ų2854 Ų5414%0.13828%0.282CS..EExtended strand (participates in β ladder)trans-81.2123.1-179.5-168.2138.6-69.700111.2L243 C244 M245 L276 Q277 F278M222-L243 HydrophobicContact CG-CB 4.41Å; M222-L243 HydrophobicContact CG-CD2 4.28Å; M222-L243 HydrophobicContact SD-CB 4.12Å; M222-L243 HydrophobicContact SD-CD1 3.95Å; M222-L243 HydrophobicContact SD-CD2 4.44Å; M222-L243 HydrophobicContact SD-CG 4.4Å; M222-C244 WeakPolarHBondContact CA-O 3.47Å; M222-M245 HydrophobicContact CE-CB 4.1Å; M222-M245 HydrophobicContact CE-SD 4.27Å; M222-L276 HydrophobicContact CE-CB 4.43Å; M222-L276 HydrophobicContact CE-CD2 4.35Å; M222-Q277 VanDerWaalsContact SD-O 3.38Å; M222-F278 HydrophobicContact CG-CD2 4.05Å; M222-F278 HydrophobicContact SD-CB 3.84Å; M222-F278 HydrophobicContact SD-CD2 4.28Å; M222-F278 HydrophobicContact SD-CG 4.44Å
223G91.9Very high87.2Confident0 Ų056.9 Ų56.90%029%0.286CS..EExtended strand (participates in β ladder)trans-130.3-163.4174.600000112.2S217 L243 C244S217-G223 WeakPolarHBondContact OG-CA 3.25Å; G223-L243 WeakPolarHBondContact O-CA 3.38Å; G223-C244 PolarHBondContact N-O 3.3Å; G223-C244 PolarHBondContact O-N 2.93Å
224F91.9Very high86.9Confident86 Ų8661.5 Ų61.538%0.37731%0.31SS..EExtended strand (participates in β ladder)trans-122.6146.3-179.4-55.4-82.2000112S217 T241 R242 L243 C244 F278S217-F224 WeakPolarHBondContact CB-O 3.41Å; S217-F224 PolarHBondContact N-O 3.32Å; S217-F224 PolarHBondContact OG-N 3.28Å; F224-T241 HydrophobicContact CB-CG2 4.08Å; F224-T241 HydrophobicContact CD1-CG2 3.82Å; F224-T241 HydrophobicContact CG-CG2 4.32Å; F224-R242 WeakPolarHBondContact CA-O 3.38Å; F224-L243 HydrophobicContact CD1-CD2 3.79Å; F224-L243 HydrophobicContact CE1-CD2 3.52Å; F224-L243 HydrophobicContact CZ-CD2 4.4Å; F224-C244 PolarHBondContact N-SG 2.87Å; F224-C244 VanDerWaalsContact N-SG 3.42Å; F224-C244 PolarHBondContact O-SG 2.95Å; F224-C244 VanDerWaalsContact O-SG 3.39Å; F224-F278 AromaticContact CE1-CE2 3.69Å; F224-F278 HydrophobicContact CE1-CE2 3.69Å; F224-F278 AromaticContact CE1-CZ 3.68Å; F224-F278 HydrophobicContact CE1-CZ 3.68Å; F224-F278 HydrophobicContact CE2-CE2 4.38Å; F224-F278 AromaticContact CZ-CE2 3.4Å; F224-F278 HydrophobicContact CZ-CE2 3.4Å; F224-F278 AromaticContact CZ-CZ 3.53Å; F224-F278 HydrophobicContact CZ-CZ 3.53Å
225S88.7Confident86.8Confident1 Ų159.6 Ų59.61%0.00730%0.299CS..EExtended strand (participates in β ladder)trans-129137.6169.7170.80000107.3W213 T214 T241 R242W213-S225 WeakPolarHBondContact CB-OG 3.44Å; W213-S225 WeakPolarHBondContact CZ3-O 3.35Å; T214-S225 WeakPolarHBondContact O-CB 3.38Å; T214-S225 PolarHBondContact O-OG 2.83Å; S225-T241 WeakPolarHBondContact O-CA 3.46Å; S225-R242 PolarHBondContact N-O 3.07Å; S225-R242 PolarHBondContact O-N 3.2Å
226T86.8Confident86.6Confident31 Ų3162.1 Ų62.119%0.1930%0.3CS..EExtended strand (participates in β ladder)trans-123.4152.9-173.859.20000110.8T214 Q240 T241T214-T226 WeakPolarHBondContact CG2-O 3.24Å; T214-T226 PolarHBondContact N-O 2.99Å; T214-T226 PolarHBondContact OG1-N 2.76Å; T214-T226 PolarHBondContact OG1-O 2.81Å; T214-T226 PolarHBondContact OG1-OG1 2.96Å; T226-Q240 CarbonylContact C-O 3.58Å; T226-Q240 WeakPolarHBondContact CA-O 3.19Å; T226-T241 HydrophobicContact CG2-CG2 4Å
227R88.5Confident86.4Confident67 Ų6765.5 Ų65.525%0.25332%0.315SS..EExtended strand (participates in β ladder)trans-144.5162.7168.869.7173.9178.9179.14.1109.3W213 K239 Q240W213-R227 HydrophobicContact CD2-CB 4.05Å; W213-R227 HydrophobicContact CD2-CG 4Å; W213-R227 VanDerWaalsContact CE2-CD 3.46Å; W213-R227 HydrophobicContact CE3-CB 3.88Å; W213-R227 HydrophobicContact CE3-CG 3.86Å; W213-R227 HydrophobicContact CH2-CG 3.78Å; W213-R227 HydrophobicContact CZ2-CG 3.92Å; W213-R227 VanDerWaalsContact CZ2-NE 3.25Å; W213-R227 HydrophobicContact CZ3-CB 4.21Å; W213-R227 HydrophobicContact CZ3-CG 3.74Å; R227-K239 CarbonylContact O-C 3.59Å; R227-K239 WeakPolarHBondContact O-CA 3.06Å; R227-Q240 HydrophobicContact CG-CB 3.96Å; R227-Q240 VanDerWaalsContact CZ-OE1 3.22Å; R227-Q240 PolarHBondContact N-O 3.25Å; R227-Q240 PolarHBondContact O-N 2.95Å
228V88.9Confident86.1Confident52 Ų5266 Ų6632%0.31531%0.311SS..EExtended strand (participates in β ladder)trans-109.2133.7170.2-173.70000108.3T211 M237 L238T211-V228 HydrophobicContact CG2-CB 4.19Å; T211-V228 PolarHBondContact N-O 2.03Å; T211-V228 PolarHBondContact OG1-N 2.68Å; T211-V228 PolarHBondContact OG1-O 3.25Å; V228-M237 HydrophobicContact CB-CE 4.35Å; V228-M237 HydrophobicContact CG1-CB 3.99Å; V228-M237 HydrophobicContact CG1-CE 3.54Å; V228-M237 HydrophobicContact CG1-SD 3.96Å; V228-L238 WeakPolarHBondContact CA-O 3.44Å
229T86.5Confident86.2Confident2 Ų267.7 Ų67.71%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-145.8139.5176.8179.60000110.5Q209 T210 R231 L238 Q240Q209-T229 WeakPolarHBondContact O-CA 3.04Å; T210-T229 PolarHBondContact OG1-OG1 3.09Å; T229-R231 VanDerWaalsContact C-N 3.33Å; T229-R231 VanDerWaalsContact OG1-CB 3.28Å; T229-R231 WeakPolarHBondContact OG1-CB 3.39Å; T229-R231 PolarHBondContact OG1-N 2.77Å; T229-R231 VanDerWaalsContact OG1-N 3.07Å; T229-L238 PolarHBondContact N-O 3.34Å; T229-L238 PolarHBondContact O-N 3.35Å; T229-Q240 HydrophobicContact CG2-CG 3.72Å; T229-Q240 VanDerWaalsContact CG2-NE2 3.34Å
230N88.3Confident86.5Confident12 Ų1269.4 Ų69.46%0.06432%0.323CS..  trans-94.514.1168.667.1-4000112.9I207 E208 Q209 N232 C235 E236 M237I207-N230 PolarHBondContact O-ND2 2.82Å; E208-N230 WeakPolarHBondContact CA-OD1 3.49Å; Q209-N230 PolarHBondContact N-OD1 2.99Å; Q209-N230 PolarHBondContact O-N 3.41Å; Q209-N230 VanDerWaalsContact O-N 3.12Å; Q209-N230 PolarHBondContact O-OD1 3.22Å; Q209-N230 VanDerWaalsContact O-OD1 3.06Å; N230-N232 PolarHBondContact O-N 2.69Å; N230-C235 WeakPolarHBondContact O-CA 3.05Å; N230-E236 VanDerWaalsContact CA-O 3.32Å; N230-E236 WeakPolarHBondContact CA-O 3.47Å; N230-M237 HydrophobicContact CB-CG 4.12Å; N230-M237 HydrophobicContact CB-SD 3.6Å; N230-M237 VanDerWaalsContact CB-SD 3.6Å
231R85.3Confident86.7Confident168 Ų16870.9 Ų70.963%0.63433%0.331SS*.  trans-75.573.4177.5-169173177.4171.10.5111.2E208 T229E208-R231 IonicContact OE1-NE 3.67Å; E208-R231 IonicContact OE2-NE 2.77Å; T229-R231 VanDerWaalsContact C-N 3.33Å; T229-R231 VanDerWaalsContact OG1-CB 3.28Å; T229-R231 WeakPolarHBondContact OG1-CB 3.39Å; T229-R231 PolarHBondContact OG1-N 2.77Å; T229-R231 VanDerWaalsContact OG1-N 3.07Å
232N84.5Confident87.1Confident49 Ų4970.5 Ų70.526%0.26233%0.325SS..SBendtrans-146.1165.7172.161.567.8000109.1N230 Q234 C235 E236N230-N232 PolarHBondContact O-N 2.69Å; N232-Q234 PolarHBondContact O-N 2.85Å; N232-Q234 WeakPolarHBondContact OD1-CA 3.33Å; N232-Q234 PolarHBondContact OD1-N 3.47Å; N232-C235 PolarHBondContact O-N 2.05Å; N232-C235 PolarHBondContact O-SG 2.82Å; N232-C235 PolarHBondContact OD1-N 3.3Å; N232-E236 PolarHBondContact ND2-O 3.11Å; N232-E236 PolarHBondContact OD1-N 2.96Å
233R80.9Confident87.3Confident226 Ų22669.4 Ų69.485%0.85332%0.32SS*.THydrogen-bonded Turntrans-59.9-22-175.4-70.1-173.9175.6162.1-2.1114.3
234Q81.1Confident87.3Confident144 Ų14469.4 Ų69.467%0.67332%0.32SS*.THydrogen-bonded Turntrans-101.4-2.7-178.6-48.1-48.2-20.700113.1N232 E236N232-Q234 PolarHBondContact O-N 2.85Å; N232-Q234 WeakPolarHBondContact OD1-CA 3.33Å; N232-Q234 PolarHBondContact OD1-N 3.47Å; Q234-E236 HydrophobicContact CB-CG 4.09Å; Q234-E236 PolarHBondContact O-N 2.83Å
235C84.4Confident87.3Confident30 Ų3066.7 Ų66.720%0.20331%0.309CS..  trans49.534.9-175-53.40000116V204 C206 N230 N232V204-C235 WeakPolarHBondContact CG1-SG 3.31Å; C206-C235 HydrophobicContact CB-CB 3.21Å; C206-C235 WeakPolarHBondContact CB-SG 3.39Å; C206-C235 WeakPolarHBondContact SG-CB 3.49Å; C206-C235 CovalentContact SG-SG 2.02Å; C206-C235 PolarHBondContact SG-SG 3.27Å; N230-C235 WeakPolarHBondContact O-CA 3.05Å; N232-C235 PolarHBondContact O-N 2.05Å; N232-C235 PolarHBondContact O-SG 2.82Å; N232-C235 PolarHBondContact OD1-N 3.3Å
236E84Confident87.3Confident116 Ų11667.5 Ų67.554%0.54231%0.313SS..  trans-82.5136.8173.8-67.5178.3174.400110.8N230 N232 Q234 L238N230-E236 VanDerWaalsContact CA-O 3.32Å; N230-E236 WeakPolarHBondContact CA-O 3.47Å; N232-E236 PolarHBondContact ND2-O 3.11Å; N232-E236 PolarHBondContact OD1-N 2.96Å; Q234-E236 HydrophobicContact CB-CG 4.09Å; Q234-E236 PolarHBondContact O-N 2.83Å; E236-L238 HydrophobicContact CB-CG 4.37Å; E236-L238 PolarHBondContact O-N 2.92Å; E236-L238 VanDerWaalsContact O-N 3.07Å
237M83.3Confident87.3Confident97 Ų9770.4 Ų70.448%0.47832%0.321SS..  trans-70.5106.5175.2-75.6-69.6-9300110.6Q209 V228 N230Q209-M237 HydrophobicContact CB-SD 4.46Å; V228-M237 HydrophobicContact CB-CE 4.35Å; V228-M237 HydrophobicContact CG1-CB 3.99Å; V228-M237 HydrophobicContact CG1-CE 3.54Å; V228-M237 HydrophobicContact CG1-SD 3.96Å; N230-M237 HydrophobicContact CB-CG 4.12Å; N230-M237 HydrophobicContact CB-SD 3.6Å; N230-M237 VanDerWaalsContact CB-SD 3.6Å
238L84.3Confident87.2Confident84 Ų8469.1 Ų69.144%0.4432%0.321SS..EExtended strand (participates in β ladder)trans-114.3140.3-178.4-64.3177.8000111.7V228 T229 E236 Q240V228-L238 WeakPolarHBondContact CA-O 3.44Å; T229-L238 PolarHBondContact N-O 3.34Å; T229-L238 PolarHBondContact O-N 3.35Å; E236-L238 HydrophobicContact CB-CG 4.37Å; E236-L238 PolarHBondContact O-N 2.92Å; E236-L238 VanDerWaalsContact O-N 3.07Å; L238-Q240 PolarHBondContact O-N 2.77Å
239K85.9Confident86.8Confident149 Ų14970.5 Ų70.565%0.64833%0.332SS*.EExtended strand (participates in β ladder)trans-77.7111.1173-176.5177.3179.21760110.1R227R227-K239 CarbonylContact O-C 3.59Å; R227-K239 WeakPolarHBondContact O-CA 3.06Å
240Q88.1Confident86Confident69 Ų6979 Ų7932%0.32237%0.372SS..EExtended strand (participates in β ladder)trans-90.7137.9170.2-68.9-174-15.100110.4W213 T226 R227 T229 L238W213-Q240 HydrophobicContact CH2-CB 4.15Å; T226-Q240 CarbonylContact C-O 3.58Å; T226-Q240 WeakPolarHBondContact CA-O 3.19Å; R227-Q240 HydrophobicContact CG-CB 3.96Å; R227-Q240 VanDerWaalsContact CZ-OE1 3.22Å; R227-Q240 PolarHBondContact N-O 3.25Å; R227-Q240 PolarHBondContact O-N 2.95Å; T229-Q240 HydrophobicContact CG2-CG 3.72Å; T229-Q240 VanDerWaalsContact CG2-NE2 3.34Å; L238-Q240 PolarHBondContact O-N 2.77Å
241T89.7Confident84.5Confident63 Ų6385.7 Ų85.739%0.38740%0.403SS..EExtended strand (participates in β ladder)trans-122.4134.1177.1-560000109.6F224 S225 T226 P324F224-T241 HydrophobicContact CB-CG2 4.08Å; F224-T241 HydrophobicContact CD1-CG2 3.82Å; F224-T241 HydrophobicContact CG-CG2 4.32Å; S225-T241 WeakPolarHBondContact O-CA 3.46Å; T226-T241 HydrophobicContact CG2-CG2 4Å; T241-P324 VanDerWaalsContact O-CG 3.3Å; T241-P324 WeakPolarHBondContact O-CG 3.28Å
242R94.3Very high82.5Confident6 Ų686.3 Ų86.32%0.02341%0.413CS..EExtended strand (participates in β ladder)trans-125.5151.417272.8-178.8176.5173.41.5111.4W213 F224 S225 T306 T308 P324 M326W213-R242 VanDerWaalsContact CD1-CZ 3.43Å; W213-R242 HydrophobicContact CD2-CG 4.29Å; W213-R242 VanDerWaalsContact CD2-CZ 3.48Å; W213-R242 HydrophobicContact CE3-CG 3.77Å; W213-R242 HydrophobicContact CH2-CB 3.88Å; W213-R242 HydrophobicContact CH2-CG 3.8Å; W213-R242 HydrophobicContact CZ2-CG 4.29Å; W213-R242 HydrophobicContact CZ3-CB 3.93Å; W213-R242 HydrophobicContact CZ3-CG 3.51Å; F224-R242 WeakPolarHBondContact CA-O 3.38Å; S225-R242 PolarHBondContact N-O 3.07Å; S225-R242 PolarHBondContact O-N 3.2Å; R242-T306 PolarHBondContact NH1-OG1 2.83Å; R242-T306 PolarHBondContact NH2-OG1 2.83Å; R242-T308 HydrophobicContact CB-CG2 4.39Å; R242-T308 WeakPolarHBondContact CD-OG1 3.39Å; R242-T308 PolarHBondContact NH1-OG1 3.01Å; R242-P324 WeakPolarHBondContact CA-O 3.46Å; R242-P324 HydrophobicContact CB-CB 4.04Å; R242-P324 HydrophobicContact CB-CG 4.22Å; R242-M326 PolarHBondContact NH2-SD 2.8Å; R242-M326 VanDerWaalsContact NH2-SD 3.4Å
243L95Very high80.5Confident6 Ų689.6 Ų89.63%0.03144%0.437CS..EExtended strand (participates in β ladder)trans-72.2140.1170-61.8175.2000109.5M222 G223 F224 F278 F313 K323 P324 V325 M326M222-L243 HydrophobicContact CG-CB 4.41Å; M222-L243 HydrophobicContact CG-CD2 4.28Å; M222-L243 HydrophobicContact SD-CB 4.12Å; M222-L243 HydrophobicContact SD-CD1 3.95Å; M222-L243 HydrophobicContact SD-CD2 4.44Å; M222-L243 HydrophobicContact SD-CG 4.4Å; G223-L243 WeakPolarHBondContact O-CA 3.38Å; F224-L243 HydrophobicContact CD1-CD2 3.79Å; F224-L243 HydrophobicContact CE1-CD2 3.52Å; F224-L243 HydrophobicContact CZ-CD2 4.4Å; L243-F278 HydrophobicContact CD1-CB 4.19Å; L243-F278 HydrophobicContact CD1-CD1 4.27Å; L243-F278 HydrophobicContact CD1-CD2 4.32Å; L243-F278 HydrophobicContact CD1-CG 3.98Å; L243-F278 HydrophobicContact CD2-CD1 4.43Å; L243-F278 HydrophobicContact CD2-CD2 3.59Å; L243-F278 HydrophobicContact CD2-CE1 4.38Å; L243-F278 HydrophobicContact CD2-CE2 3.53Å; L243-F278 HydrophobicContact CD2-CG 4.05Å; L243-F278 HydrophobicContact CD2-CZ 3.94Å; L243-F313 HydrophobicContact CD1-CE2 4.24Å; L243-F313 HydrophobicContact CD1-CZ 4.11Å; L243-K323 HydrophobicContact CD1-CB 3.93Å; L243-K323 HydrophobicContact CD1-CG 4.43Å; L243-P324 PolarHBondContact N-O 2.89Å; L243-V325 HydrophobicContact CB-CG2 4.2Å; L243-V325 HydrophobicContact CD1-CG2 4.22Å; L243-V325 CarbonylContact O-C 3.55Å; L243-V325 WeakPolarHBondContact O-CA 3.42Å; L243-M326 WeakPolarHBondContact O-CB 3.29Å; L243-M326 PolarHBondContact O-N 3.13Å
244C93.8Very high78.6Confident0 Ų085.9 Ų85.90%043%0.429CS..EExtended strand (participates in β ladder)trans-135.1147.4177.4570000110.5C216 M222 G223 F224 M326C216-C244 WeakPolarHBondContact CA-SG 3.06Å; C216-C244 HydrophobicContact CB-CB 3.89Å; C216-C244 WeakPolarHBondContact CB-SG 3.35Å; C216-C244 WeakPolarHBondContact SG-CB 3.47Å; C216-C244 PolarHBondContact SG-O 2.93Å; C216-C244 CovalentContact SG-SG 2.04Å; C216-C244 PolarHBondContact SG-SG 3.4Å; M222-C244 WeakPolarHBondContact CA-O 3.47Å; G223-C244 PolarHBondContact N-O 3.3Å; G223-C244 PolarHBondContact O-N 2.93Å; F224-C244 PolarHBondContact N-SG 2.87Å; F224-C244 VanDerWaalsContact N-SG 3.42Å; F224-C244 PolarHBondContact O-SG 2.95Å; F224-C244 VanDerWaalsContact O-SG 3.39Å; C244-M326 HydrophobicContact CB-CB 4.12Å; C244-M326 HydrophobicContact CB-CE 3.53Å; C244-M326 HydrophobicContact CB-SD 4Å
245M91.2Very high76.5Confident29 Ų2987.7 Ų87.714%0.14344%0.438CS..EExtended strand (participates in β ladder)trans-143.2104.9173.9-1771627600108.6G221 M222 I274 L276 F291G221-M245 WeakPolarHBondContact O-CA 3.46Å; G221-M245 WeakPolarHBondContact O-CG 3.36Å; M222-M245 HydrophobicContact CE-CB 4.1Å; M222-M245 HydrophobicContact CE-SD 4.27Å; M245-I274 HydrophobicContact CE-CD1 4.12Å; M245-L276 HydrophobicContact CE-CD2 3.94Å; M245-F291 HydrophobicContact CE-CE1 3.42Å; M245-F291 VanDerWaalsContact CE-CE1 3.42Å; M245-F291 HydrophobicContact CE-CZ 3.55Å; M245-F291 HydrophobicContact CG-CE1 3.97Å; M245-F291 HydrophobicContact SD-CE1 4.37Å
246V88.5Confident74.5Confident17 Ų1790.7 Ų90.710%0.10346%0.456CS..SBendtrans-73-42-177-179.10000110.7C216 F291 C292 P303C216-V246 HydrophobicContact CB-CG2 3.63Å; V246-F291 CarbonylContact O-C 3.6Å; V246-F291 VanDerWaalsContact O-CA 3.3Å; V246-F291 WeakPolarHBondContact O-CA 3.39Å; V246-F291 WeakPolarHBondContact O-CB 3.38Å; V246-C292 HydrophobicContact CG1-CB 3.89Å; V246-C292 PolarHBondContact O-N 2.02Å; V246-P303 HydrophobicContact CG2-CG 4.28Å
247R86.4Confident72.2Confident92 Ų9291.6 Ų91.635%0.34747%0.47SS..SBendtrans-159152.4178.952.6-175172175.64.3109.7S219 C220 G221 F291S219-R247 WeakPolarHBondContact O-CG 3.01Å; S219-R247 PolarHBondContact O-NE 2.8Å; S219-R247 PolarHBondContact OG-NH2 2.97Å; C220-R247 CarbonylContact C-O 3.58Å; C220-R247 VanDerWaalsContact CA-O 3.25Å; C220-R247 WeakPolarHBondContact CA-O 3.26Å; C220-R247 HydrophobicContact CB-CG 3.92Å; G221-R247 PolarHBondContact N-O 2.74Å; R247-F291 HydrophobicContact CB-CB 4.43Å
248P86.3Confident70.2Confident40 Ų4094.3 Ų94.326%0.2649%0.487SS..  trans-64.8153.2168.528.3-33.5000110.7Q251 F291P248-Q251 HydrophobicContact CG-CB 4.46Å; P248-F291 HydrophobicContact CG-CD2 4.45Å; P248-F291 HydrophobicContact CG-CE2 4.38Å
249C81.7Confident68.2Low82 Ų8299.6 Ų99.655%0.55451%0.506SS*.SBendtrans-83-32.5175.7-61.20000112.2C220 G221C220-C249 HydrophobicContact CB-CB 4.01Å; C220-C249 WeakPolarHBondContact CB-SG 3.43Å; C220-C249 WeakPolarHBondContact SG-CB 3.28Å; C220-C249 CovalentContact SG-SG 2.06Å; C220-C249 PolarHBondContact SG-SG 3.48Å; G221-C249 PolarHBondContact N-SG 2.77Å
250E69.4Low66Low180 Ų180102.7 Ų102.784%0.84152%0.52SS*.  trans-107.491.8178.3-70174.6-17400110
251Q55.8Low64.1Low152 Ų152102.9 Ų102.971%0.7154%0.54SS*.  trans-154.9111.9154.5-115.1164.556.400107.6P248P248-Q251 HydrophobicContact CG-CB 4.46Å
252E43.1Very low62Low181 Ų181108.9 Ų108.985%0.84656%0.56SS**  trans-48.9143.1170.4-70.2-168147.600110.4E254E252-E254 PolarHBondContact O-N 3.2Å
253P42.9Very low60.1Low118 Ų118115.6 Ų115.677%0.76659%0.59SS**  trans-66.997.5174.527.1-30.9000109.4Q255P253-Q255 PolarHBondContact O-N 3.26Å
254E41.4Very low58.1Low149 Ų149116.9 Ų116.970%0.69660%0.599SS**  trans-55.3111.2155.7-80.5-179168.800107.3E252E252-E254 PolarHBondContact O-N 3.2Å
255Q36.3Very low56.3Low182 Ų182121 Ų12185%0.8562%0.621SS**  trans-44.6130.6-171.6-73176.5-16.300112.2P253 T257P253-Q255 PolarHBondContact O-N 3.26Å; Q255-T257 PolarHBondContact O-N 3.11Å
256P42.7Very low54.4Low92 Ų92130.1 Ų130.160%0.59765%0.653SS**  trans-74.7124.2173.19.33.9000109.7D258P256-D258 PolarHBondContact O-N 2.88Å
257T36.3Very low52.7Low135 Ų135131.4 Ų131.483%0.82866%0.661SS**  trans-67.1112.4160.735.80000108.2Q255 K259Q255-T257 PolarHBondContact O-N 3.11Å; T257-K259 PolarHBondContact O-N 2.86Å; T257-K259 VanDerWaalsContact O-N 3.1Å
258D40.4Very low51.3Low155 Ų155133.1 Ų133.183%0.82967%0.671SS**  trans-53.9111.6-178.4-85-49.4000112P256P256-D258 PolarHBondContact O-N 2.88Å
259K43.9Very low49.7Very low195 Ų195137.3 Ų137.385%0.84869%0.685SS**  trans-12899.3156.4-67.9-168.6-179.6-175.10108T257 G261T257-K259 PolarHBondContact O-N 2.86Å; T257-K259 VanDerWaalsContact O-N 3.1Å; K259-G261 PolarHBondContact O-N 2.91Å
260K39.3Very low48.5Very low214 Ų214134.4 Ų134.493%0.9367%0.666SS**  trans-48.4128.2173.1-87.6177.4173.9175.50110.1
261G47.9Very low48.1Very low72 Ų72133.4 Ų133.474%0.74267%0.665SS**  trans117.139.7153.500000119.2K259K259-G261 PolarHBondContact O-N 2.91Å
262K45.1Very low48.7Very low189 Ų189133.9 Ų133.982%0.82267%0.665SS**  trans-145.8134.3154.3-65.6-167-179.9-179.30111.7
263K55.5Low50.7Low148 Ų148127.2 Ų127.264%0.64364%0.641SS**SBendtrans-82.2-8-154.3-89.8173.9172.4-176.70118.9C333K263-C333 PolarHBondContact O-SG 2.79Å
264C52.1Low52.9Low32 Ų32124.3 Ų124.322%0.21662%0.619CS.*SBendtrans-125.2121.7153.9-168.70000106.1R266 C301 C333C264-R266 PolarHBondContact O-N 2.84Å; C264-C301 WeakPolarHBondContact CB-SG 3.03Å; C264-C301 WeakPolarHBondContact SG-CB 3.44Å; C264-C301 CovalentContact SG-SG 2.08Å; C264-C301 PolarHBondContact SG-SG 3.36Å; C264-C333 WeakPolarHBondContact CB-SG 3.31Å
265L55.1Low55.3Low88 Ų88121.5 Ų121.546%0.46161%0.605SS.*  trans-57.5103.9174.7-84.2147.7000107.3
266R52.7Low57.9Low220 Ų220113.2 Ų113.283%0.8357%0.567SS**  trans21.2104.5161.3-162.8174.4-172152.3-0.5112.8C264 K268C264-R266 PolarHBondContact O-N 2.84Å; R266-K268 VanDerWaalsContact C-N 3.3Å; R266-K268 PolarHBondContact O-N 3.38Å
267T52.5Low60.2Low44 Ų44115.5 Ų115.527%0.2757%0.57SS.*  trans-42.697.7161.9-47.10000108.3K269 R290 F291T267-K269 PolarHBondContact O-N 2.73Å; T267-R290 HydrophobicContact CG2-CB 3.76Å; T267-R290 HydrophobicContact CG2-CG 4.08Å; T267-F291 WeakPolarHBondContact CG2-O 3.33Å
268K55.9Low62.7Low127 Ų127110.6 Ų110.655%0.55254%0.537SS*.EExtended strand (participates in β ladder)trans-69.6104.4-180-81.8-163.8179.9-174.50103.9R266 S270 F291R266-K268 VanDerWaalsContact C-N 3.3Å; R266-K268 PolarHBondContact O-N 3.38Å; K268-S270 PolarHBondContact O-N 2.03Å; K268-F291 PolarHBondContact O-N 2.85Å
269K53.8Low64.9Low128 Ų128111.5 Ų111.556%0.55753%0.533SS*.EExtended strand (participates in β ladder)trans-55.9127.6159.7-98.3-174.8170.4-178.50105.1T267 L271 R290T267-K269 PolarHBondContact O-N 2.73Å; K269-L271 PolarHBondContact O-N 2.78Å; K269-R290 HydrophobicContact CG-CG 3.59Å
270S57.3Low67.1Low21 Ų21108.5 Ų108.515%0.14753%0.526CS..  trans-52.7120.9169.8-175.50000108K268 K272 P289K268-S270 PolarHBondContact O-N 2.03Å; S270-K272 WeakPolarHBondContact CB-O 3.35Å; S270-K272 PolarHBondContact O-N 3.14Å; S270-K272 PolarHBondContact OG-O 2.81Å; S270-P289 WeakPolarHBondContact CB-O 3.49Å; S270-P289 PolarHBondContact N-O 3.06Å
271L60.3Low69.6Low159 Ų15999 Ų9983%0.83249%0.487SS*.SBendtrans-66-23.6178.8-66.1172.7000110.7K269K269-L271 PolarHBondContact O-N 2.78Å
272K68.9Low71.8Confident163 Ų16398.5 Ų98.571%0.70947%0.469SS*.SBendtrans-112.3140.6-179.2-62.4179.6-179.4177.20110.7S270S270-K272 WeakPolarHBondContact CB-O 3.35Å; S270-K272 PolarHBondContact O-N 3.14Å; S270-K272 PolarHBondContact OG-O 2.81Å
273A85Confident74.2Confident41 Ų4189.6 Ų89.634%0.33943%0.431SS..  trans-73.7128.7167.800000108Y287 K288A273-Y287 CarbonylContact C-O 3.56Å; A273-Y287 VanDerWaalsContact CA-O 3.28Å; A273-Y287 WeakPolarHBondContact CA-O 3.09Å; A273-K288 HydrophobicContact CB-CG 3.75Å
274I88.1Confident75.9Confident57 Ų5785.4 Ų85.429%0.29242%0.416SS..EExtended strand (participates in β ladder)trans-121.2151.2-175.864.4171.5000110.2M245 T286 Y287 P289 F291M245-I274 HydrophobicContact CE-CD1 4.12Å; I274-T286 CarbonylContact O-C 3.53Å; I274-T286 WeakPolarHBondContact O-CA 3.41Å; I274-Y287 PolarHBondContact N-O 2.96Å; I274-Y287 PolarHBondContact O-N 2.57Å; I274-P289 HydrophobicContact CD1-CG 3.92Å; I274-P289 HydrophobicContact CG1-CG 4.05Å; I274-F291 HydrophobicContact CD1-CZ 4.15Å
275H91.6Very high77.9Confident89 Ų8989.2 Ų89.241%0.41243%0.43SS..EExtended strand (participates in β ladder)trans-76136.9164.4-69.6-84.5000109.3T282 S283 T286H275-T282 HydrophobicContact CB-CG2 3.7Å; H275-S283 WeakPolarHBondContact CA-OG 3.38Å; H275-S283 PolarHBondContact ND1-O 2.9Å; H275-T286 WeakPolarHBondContact NE2-CG2 3.34Å
276L91.9Very high79.6Confident9 Ų988.5 Ų88.55%0.04743%0.429CS..EExtended strand (participates in β ladder)trans-81134.7172-58.5174.9000108.3M222 M245 S283 Y287 F313 V325M222-L276 HydrophobicContact CE-CB 4.43Å; M222-L276 HydrophobicContact CE-CD2 4.35Å; M245-L276 HydrophobicContact CE-CD2 3.94Å; L276-S283 PolarHBondContact N-OG 3.46Å; L276-S283 PolarHBondContact O-N 3.4Å; L276-Y287 HydrophobicContact CD1-CD2 3.76Å; L276-Y287 HydrophobicContact CD1-CE2 4.17Å; L276-Y287 HydrophobicContact CD1-CG 4.22Å; L276-Y287 HydrophobicContact CG-CD2 3.9Å; L276-Y287 HydrophobicContact CG-CG 4.5Å; L276-F313 HydrophobicContact CB-CE1 3.81Å; L276-F313 HydrophobicContact CB-CZ 3.91Å; L276-F313 HydrophobicContact CD1-CZ 4.37Å; L276-F313 WeakPolarHBondContact O-CE1 3.2Å; L276-V325 HydrophobicContact CD1-CG1 3.93Å; L276-V325 HydrophobicContact CD1-CG2 4.36Å
277Q90.3Very high81.4Confident140 Ų14080.4 Ų80.465%0.65440%0.399SS*.EExtended strand (participates in β ladder)trans-115.9131.1178.9-68.8178.5-9.600109.8M222 C281M222-Q277 VanDerWaalsContact SD-O 3.38Å; Q277-C281 WeakPolarHBondContact CA-O 3.26Å
278F88.6Confident83.1Confident32 Ų3285.5 Ų85.514%0.1442%0.417CS..EExtended strand (participates in β ladder)trans-142111.8176.5175.7-110.5000109.6M222 F224 L243 N280 C281 F313M222-F278 HydrophobicContact CG-CD2 4.05Å; M222-F278 HydrophobicContact SD-CB 3.84Å; M222-F278 HydrophobicContact SD-CD2 4.28Å; M222-F278 HydrophobicContact SD-CG 4.44Å; F224-F278 AromaticContact CE1-CE2 3.69Å; F224-F278 HydrophobicContact CE1-CE2 3.69Å; F224-F278 AromaticContact CE1-CZ 3.68Å; F224-F278 HydrophobicContact CE1-CZ 3.68Å; F224-F278 HydrophobicContact CE2-CE2 4.38Å; F224-F278 AromaticContact CZ-CE2 3.4Å; F224-F278 HydrophobicContact CZ-CE2 3.4Å; F224-F278 AromaticContact CZ-CZ 3.53Å; F224-F278 HydrophobicContact CZ-CZ 3.53Å; L243-F278 HydrophobicContact CD1-CB 4.19Å; L243-F278 HydrophobicContact CD1-CD1 4.27Å; L243-F278 HydrophobicContact CD1-CD2 4.32Å; L243-F278 HydrophobicContact CD1-CG 3.98Å; L243-F278 HydrophobicContact CD2-CD1 4.43Å; L243-F278 HydrophobicContact CD2-CD2 3.59Å; L243-F278 HydrophobicContact CD2-CE1 4.38Å; L243-F278 HydrophobicContact CD2-CE2 3.53Å; L243-F278 HydrophobicContact CD2-CG 4.05Å; L243-F278 HydrophobicContact CD2-CZ 3.94Å; F278-N280 PolarHBondContact O-N 2.04Å; F278-C281 PolarHBondContact N-O 3.38Å; F278-C281 VanDerWaalsContact O-CB 3.27Å; F278-C281 WeakPolarHBondContact O-CB 3.03Å; F278-C281 PolarHBondContact O-N 2.82Å; F278-F313 HydrophobicContact CB-CE1 4.2Å
279K87.8Confident84.6Confident174 Ų17480.5 Ų80.576%0.75740%0.398SS*.THydrogen-bonded Turntrans51.8-129-173.2-57.3-176.8175.1-172.20109.9C281K279-C281 PolarHBondContact O-N 2.99Å
280N89.4Confident86.2Confident131 Ų13178.7 Ų78.770%0.70139%0.388SS*.THydrogen-bonded Turntrans-88.827.8178.7-60-14.9000112.8F278 C315 S316F278-N280 PolarHBondContact O-N 2.04Å; N280-C315 WeakPolarHBondContact O-CA 3.42Å; N280-S316 PolarHBondContact O-N 2.91Å
281C92.2Very high87.6Confident16 Ų1678.6 Ų78.611%0.10839%0.385CS..EExtended strand (participates in β ladder)trans-126.7136.8-175.9-45.10000112Q277 F278 K279 F313 Q314 C315Q277-C281 WeakPolarHBondContact CA-O 3.26Å; F278-C281 PolarHBondContact N-O 3.38Å; F278-C281 VanDerWaalsContact O-CB 3.27Å; F278-C281 WeakPolarHBondContact O-CB 3.03Å; F278-C281 PolarHBondContact O-N 2.82Å; K279-C281 PolarHBondContact O-N 2.99Å; C281-F313 HydrophobicContact CB-CB 3.93Å; C281-F313 HydrophobicContact CB-CD1 4.23Å; C281-F313 HydrophobicContact CB-CG 4.47Å; C281-Q314 VanDerWaalsContact CA-O 3.29Å; C281-Q314 WeakPolarHBondContact CA-O 3.36Å; C281-C315 HydrophobicContact CB-CB 3.96Å; C281-C315 WeakPolarHBondContact CB-SG 3.46Å; C281-C315 WeakPolarHBondContact SG-CB 3.24Å; C281-C315 CovalentContact SG-SG 2.03Å; C281-C315 PolarHBondContact SG-SG 2.85Å
282T93.5Very high88.8Confident60 Ų6071.2 Ų71.237%0.36835%0.346SS..EExtended strand (participates in β ladder)trans-120.1136.6178.1-57.70000109.5H275 F313 Q314H275-T282 HydrophobicContact CB-CG2 3.7Å; T282-F313 CarbonylContact O-C 3.6Å; T282-F313 WeakPolarHBondContact O-CA 3.43Å; T282-Q314 PolarHBondContact N-O 3.05Å; T282-Q314 PolarHBondContact O-N 2.88Å
283S94.6Very high89.3Confident3 Ų364.8 Ų64.82%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-63.4140178.366.80000111.4H275 L276 H285 E312H275-S283 WeakPolarHBondContact CA-OG 3.38Å; H275-S283 PolarHBondContact ND1-O 2.9Å; L276-S283 PolarHBondContact N-OG 3.46Å; L276-S283 PolarHBondContact O-N 3.4Å; S283-H285 VanDerWaalsContact C-N 3.34Å; S283-H285 PolarHBondContact OG-O 3.46Å; S283-E312 CarbonylContact C-O 3.5Å; S283-E312 VanDerWaalsContact CA-O 3.31Å; S283-E312 WeakPolarHBondContact CA-O 3.38Å
284L92.9Very high88.9Confident60 Ų6066.9 Ų66.931%0.31434%0.335SS..EExtended strand (participates in β ladder)trans-65.1-41.9177.4-69.4176.4000111.4E312 Q314 I320L284-E312 HydrophobicContact CD1-CB 3.92Å; L284-E312 HydrophobicContact CG-CB 4.45Å; L284-E312 PolarHBondContact N-O 2.83Å; L284-Q314 HydrophobicContact CD2-CB 3.77Å; L284-Q314 HydrophobicContact CG-CB 4.49Å; L284-I320 HydrophobicContact CD1-CD1 4.1Å; L284-I320 HydrophobicContact CD1-CG1 4.41Å; L284-I320 HydrophobicContact CD1-CG2 4.05Å
285H93.3Very high88.5Confident112 Ų11264.8 Ų64.852%0.51933%0.325SS..EExtended strand (participates in β ladder)trans-97.4154.9178.5-59.4-59.1000111.8S283 Y287S283-H285 VanDerWaalsContact C-N 3.34Å; S283-H285 PolarHBondContact OG-O 3.46Å; H285-Y287 HydrophobicContact CB-CE2 4.18Å; H285-Y287 WeakPolarHBondContact O-CD2 3.42Å; H285-Y287 VanDerWaalsContact O-CE2 3.26Å; H285-Y287 WeakPolarHBondContact O-CE2 3.39Å
286T91.7Very high87.6Confident73 Ų7365.2 Ų65.245%0.44834%0.338SS..EExtended strand (participates in β ladder)trans-86142.8168.6560000110.3I274 H275I274-T286 CarbonylContact O-C 3.53Å; I274-T286 WeakPolarHBondContact O-CA 3.41Å; H275-T286 WeakPolarHBondContact NE2-CG2 3.34Å
287Y90.6Very high86.7Confident50 Ų5068 Ų6820%0.19635%0.353CS..EExtended strand (participates in β ladder)trans-121.1150.5179.6-63.4-88.5000109.8A273 I274 L276 H285 P289 I309 A311A273-Y287 CarbonylContact C-O 3.56Å; A273-Y287 VanDerWaalsContact CA-O 3.28Å; A273-Y287 WeakPolarHBondContact CA-O 3.09Å; I274-Y287 PolarHBondContact N-O 2.96Å; I274-Y287 PolarHBondContact O-N 2.57Å; L276-Y287 HydrophobicContact CD1-CD2 3.76Å; L276-Y287 HydrophobicContact CD1-CE2 4.17Å; L276-Y287 HydrophobicContact CD1-CG 4.22Å; L276-Y287 HydrophobicContact CG-CD2 3.9Å; L276-Y287 HydrophobicContact CG-CG 4.5Å; H285-Y287 HydrophobicContact CB-CE2 4.18Å; H285-Y287 WeakPolarHBondContact O-CD2 3.42Å; H285-Y287 VanDerWaalsContact O-CE2 3.26Å; H285-Y287 WeakPolarHBondContact O-CE2 3.39Å; Y287-P289 WeakPolarHBondContact O-CD 3.13Å; Y287-I309 HydrophobicContact CD1-CD1 3.85Å; Y287-I309 HydrophobicContact CE1-CD1 3.62Å; Y287-A311 HydrophobicContact CE2-CB 4.25Å; Y287-A311 WeakPolarHBondContact OH-CB 3.04Å
288K88.1Confident85.8Confident150 Ų15065.1 Ų65.165%0.65236%0.361SS*.  trans-105.272.7171.5-68.8-175179.8-177.40110.1A273A273-K288 HydrophobicContact CB-CG 3.75Å
289P87.5Confident85.4Confident22 Ų2266.7 Ų66.714%0.14337%0.366CS..  trans-65.4152.3-178.728.6-35.6000111.4S270 I274 Y287 F291S270-P289 WeakPolarHBondContact CB-O 3.49Å; S270-P289 PolarHBondContact N-O 3.06Å; I274-P289 HydrophobicContact CD1-CG 3.92Å; I274-P289 HydrophobicContact CG1-CG 4.05Å; Y287-P289 WeakPolarHBondContact O-CD 3.13Å; P289-F291 HydrophobicContact CB-CE1 3.91Å; P289-F291 HydrophobicContact CB-CZ 3.84Å; P289-F291 HydrophobicContact CG-CE1 3.91Å; P289-F291 HydrophobicContact CG-CE2 3.91Å; P289-F291 HydrophobicContact CG-CZ 3.32Å
290R86.9Confident85Confident90 Ų9059.7 Ų59.734%0.3434%0.338SS..EExtended strand (participates in β ladder)trans-95139.9165.5-78.5-175.2-177.4130.3-7.3108.3T267 K269 I328 G329T267-R290 HydrophobicContact CG2-CB 3.76Å; T267-R290 HydrophobicContact CG2-CG 4.08Å; K269-R290 HydrophobicContact CG-CG 3.59Å; R290-I328 HydrophobicContact CB-CB 4.21Å; R290-I328 HydrophobicContact CB-CG2 4.49Å; R290-I328 WeakPolarHBondContact CB-O 3.39Å; R290-I328 WeakPolarHBondContact CD-O 3.38Å; R290-I328 WeakPolarHBondContact O-CD1 3.44Å; R290-G329 WeakPolarHBondContact CD-O 3.35Å; R290-G329 PolarHBondContact NH1-O 3.27Å
291F87.1Confident84.7Confident19 Ų1954 Ų548%0.08331%0.309CS..EExtended strand (participates in β ladder)trans-116.5147.9175.7-58.8-57.8000111.2M245 V246 R247 P248 T267 K268 I274 P289M245-F291 HydrophobicContact CE-CE1 3.42Å; M245-F291 VanDerWaalsContact CE-CE1 3.42Å; M245-F291 HydrophobicContact CE-CZ 3.55Å; M245-F291 HydrophobicContact CG-CE1 3.97Å; M245-F291 HydrophobicContact SD-CE1 4.37Å; V246-F291 CarbonylContact O-C 3.6Å; V246-F291 VanDerWaalsContact O-CA 3.3Å; V246-F291 WeakPolarHBondContact O-CA 3.39Å; V246-F291 WeakPolarHBondContact O-CB 3.38Å; R247-F291 HydrophobicContact CB-CB 4.43Å; P248-F291 HydrophobicContact CG-CD2 4.45Å; P248-F291 HydrophobicContact CG-CE2 4.38Å; T267-F291 WeakPolarHBondContact CG2-O 3.33Å; K268-F291 PolarHBondContact O-N 2.85Å; I274-F291 HydrophobicContact CD1-CZ 4.15Å; P289-F291 HydrophobicContact CB-CE1 3.91Å; P289-F291 HydrophobicContact CB-CZ 3.84Å; P289-F291 HydrophobicContact CG-CE1 3.91Å; P289-F291 HydrophobicContact CG-CE2 3.91Å; P289-F291 HydrophobicContact CG-CZ 3.32Å
292C84.8Confident84.4Confident4 Ų454.6 Ų54.63%0.02731%0.312CS..  trans-84.7137.5171.5-59.60000109.9V246 C331V246-C292 HydrophobicContact CG1-CB 3.89Å; V246-C292 PolarHBondContact O-N 2.02Å; C292-C331 WeakPolarHBondContact CA-SG 3.03Å; C292-C331 HydrophobicContact CB-CB 3.81Å; C292-C331 WeakPolarHBondContact CB-SG 3.4Å; C292-C331 WeakPolarHBondContact SG-CB 3.37Å; C292-C331 CovalentContact SG-SG 2.04Å; C292-C331 PolarHBondContact SG-SG 3.23Å
293G79.9Confident84.2Confident29 Ų2953.5 Ų53.530%0.29931%0.306SS..  trans-91.2-147.7178.600000112.6C301G293-C301 WeakPolarHBondContact O-CB 3.37Å
294V76.5Confident83.8Confident85 Ų8559.7 Ų59.752%0.51533%0.334SS..  trans-116.3149.8174.5-660000110.1
295C79Confident83.6Confident13 Ų1360.9 Ų60.99%0.08834%0.341CS..  trans-88140.4173-42.10000109.1D297 R299 C301 C333C295-D297 WeakPolarHBondContact CB-OD1 2.97Å; C295-D297 PolarHBondContact O-N 3.15Å; C295-R299 HydrophobicContact CB-CB 4.02Å; C295-R299 WeakPolarHBondContact CB-O 3.14Å; C295-R299 PolarHBondContact SG-O 2.65Å; C295-C301 WeakPolarHBondContact SG-CB 3.02Å; C295-C301 PolarHBondContact SG-N 2.72Å; C295-C301 VanDerWaalsContact SG-N 3.42Å; C295-C333 HydrophobicContact CB-CB 3.99Å; C295-C333 WeakPolarHBondContact CB-SG 3.06Å; C295-C333 WeakPolarHBondContact SG-CB 3.48Å; C295-C333 CovalentContact SG-SG 2.01Å; C295-C333 PolarHBondContact SG-SG 2.83Å
296S73.1Confident83.5Confident98 Ų9857.2 Ų57.269%0.68533%0.327SS*.THydrogen-bonded Turntrans-74.4-10.8-179.257.30000113.8
297D73.5Confident83.6Confident68 Ų6860.9 Ų60.936%0.36434%0.336SS..THydrogen-bonded Turntrans-108.421.2-17259.4-3.1000113.2C295 R299C295-D297 WeakPolarHBondContact CB-OD1 2.97Å; C295-D297 PolarHBondContact O-N 3.15Å; D297-R299 VanDerWaalsContact CG-NE 3.3Å; D297-R299 PolarHBondContact O-N 3.28Å; D297-R299 WeakPolarHBondContact OD1-CB 3.34Å; D297-R299 IonicContact OD1-CZ 3.94Å; D297-R299 IonicContact OD1-NE 3.24Å; D297-R299 PolarHBondContact OD1-NE 3.27Å; D297-R299 IonicContact OD1-NH2 3.73Å; D297-R299 IonicContact OD2-CZ 3.14Å; D297-R299 IonicContact OD2-NE 2.79Å; D297-R299 PolarHBondContact OD2-NE 2.66Å; D297-R299 IonicContact OD2-NH2 2.69Å; D297-R299 PolarHBondContact OD2-NH2 3.06Å
298G70Confident83.8Confident79 Ų7961.3 Ų61.381%0.81434%0.344SS*.SBendtrans76.21.3178.100000115
299R81.3Confident84.1Confident65 Ų6556.9 Ų56.925%0.24533%0.327CS..  trans-78.7156.5171.9-67.8-172.9-65150.14.1111.4C295 D297 C333 H334 T335C295-R299 HydrophobicContact CB-CB 4.02Å; C295-R299 WeakPolarHBondContact CB-O 3.14Å; C295-R299 PolarHBondContact SG-O 2.65Å; D297-R299 VanDerWaalsContact CG-NE 3.3Å; D297-R299 PolarHBondContact O-N 3.28Å; D297-R299 WeakPolarHBondContact OD1-CB 3.34Å; D297-R299 IonicContact OD1-CZ 3.94Å; D297-R299 IonicContact OD1-NE 3.24Å; D297-R299 PolarHBondContact OD1-NE 3.27Å; D297-R299 IonicContact OD1-NH2 3.73Å; D297-R299 IonicContact OD2-CZ 3.14Å; D297-R299 IonicContact OD2-NE 2.79Å; D297-R299 PolarHBondContact OD2-NE 2.66Å; D297-R299 IonicContact OD2-NH2 2.69Å; D297-R299 PolarHBondContact OD2-NH2 3.06Å; R299-C333 HydrophobicContact CB-CB 4.09Å; R299-C333 VanDerWaalsContact CZ-CB 3.48Å; R299-C333 PolarHBondContact NH1-O 2.85Å; R299-H334 WeakPolarHBondContact CB-O 3.47Å; R299-T335 HydrophobicContact CG-CG2 3.91Å
300C79.9Confident84.5Confident26 Ų2662 Ų6218%0.17635%0.349CS..EExtended strand (participates in β ladder)trans-8613917141.30000110.5C333 H334 C337C300-C333 VanDerWaalsContact O-CA 3.3Å; C300-C333 WeakPolarHBondContact O-CA 2.99Å; C300-H334 PolarHBondContact N-O 3.33Å; C300-H334 PolarHBondContact O-N 3.37Å; C300-H334 VanDerWaalsContact O-N 3.1Å; C300-H334 VanDerWaalsContact SG-CE1 3.51Å; C300-H334 PolarHBondContact SG-O 2.98Å; C300-C337 HydrophobicContact CB-CB 3.82Å; C300-C337 WeakPolarHBondContact CB-SG 3.33Å; C300-C337 PolarHBondContact N-SG 2.85Å; C300-C337 VanDerWaalsContact N-SG 3.39Å; C300-C337 WeakPolarHBondContact SG-CA 3.41Å; C300-C337 WeakPolarHBondContact SG-CB 3.41Å; C300-C337 CovalentContact SG-SG 2.04Å; C300-C337 PolarHBondContact SG-SG 3.26Å
301C83.3Confident84.8Confident12 Ų1257.7 Ų57.78%0.08133%0.333CS..EExtended strand (participates in β ladder)trans-98.8114.2172.5-155.80000109.3C264 G293 C295 C331 T332C264-C301 WeakPolarHBondContact CB-SG 3.03Å; C264-C301 WeakPolarHBondContact SG-CB 3.44Å; C264-C301 CovalentContact SG-SG 2.08Å; C264-C301 PolarHBondContact SG-SG 3.36Å; G293-C301 WeakPolarHBondContact O-CB 3.37Å; C295-C301 WeakPolarHBondContact SG-CB 3.02Å; C295-C301 PolarHBondContact SG-N 2.72Å; C295-C301 VanDerWaalsContact SG-N 3.42Å; C301-C331 VanDerWaalsContact SG-CB 3.54Å; C301-T332 CarbonylContact C-O 3.05Å; C301-T332 VanDerWaalsContact CA-O 3.31Å; C301-T332 WeakPolarHBondContact CA-O 3.05Å
302T85.7Confident85.2Confident29 Ų2959.5 Ų59.518%0.17834%0.341CS..EExtended strand (participates in β ladder)trans-118.4159.6-178.562.40000111.6H304 C331 T332 H334 P338T302-H304 PolarHBondContact O-N 3.36Å; T302-C331 CarbonylContact O-C 3.44Å; T302-C331 WeakPolarHBondContact O-CA 3.42Å; T302-C331 WeakPolarHBondContact O-CB 3.17Å; T302-T332 PolarHBondContact N-O 3.32Å; T302-T332 PolarHBondContact O-N 2.04Å; T302-H334 WeakPolarHBondContact CB-NE2 3.47Å; T302-H334 WeakPolarHBondContact CG2-NE2 3.2Å; T302-H334 PolarHBondContact OG1-CD2 2.87Å; T302-H334 PolarHBondContact OG1-NE2 2.8Å; T302-P338 HydrophobicContact CG2-CG 4.4Å
303P89.3Confident85.7Confident36 Ų3659.4 Ų59.423%0.23434%0.34CS..EExtended strand (participates in β ladder)trans-62.5133.3174.6-19.532.3000111.4V246 T306 M326 I328V246-P303 HydrophobicContact CG2-CG 4.28Å; P303-T306 HydrophobicContact CB-CG2 3.49Å; P303-T306 VanDerWaalsContact CB-CG2 3.49Å; P303-M326 HydrophobicContact CB-CE 4.42Å; P303-M326 HydrophobicContact CG-CE 3.96Å; P303-I328 HydrophobicContact CB-CD1 4.37Å; P303-I328 HydrophobicContact CB-CG1 4.22Å; P303-I328 HydrophobicContact CB-CG2 4.41Å; P303-I328 HydrophobicContact CG-CD1 3.92Å; P303-I328 HydrophobicContact CG-CG1 4.27Å
304H85.8Confident86.4Confident133 Ų13363 Ų6362%0.61635%0.349SS*.  trans-111.5-65.9178.3175.6-96.2000111.4T302 T330 T332T302-H304 PolarHBondContact O-N 3.36Å; H304-T330 PolarHBondContact N-O 3.01Å; H304-T332 HydrophobicContact CB-CG2 3.37Å; H304-T332 VanDerWaalsContact CG-CG2 3.49Å
305N88.4Confident87.1Confident86 Ų8659.6 Ų59.646%0.4633%0.329SS..SBendtrans-90.4117.5171.3-172.5-10.7000108.8G329 T330N305-G329 VanDerWaalsContact O-CA 3.24Å; N305-G329 WeakPolarHBondContact O-CA 3.36Å; N305-G329 PolarHBondContact O-N 2.97Å; N305-T330 VanDerWaalsContact CB-OG1 3.31Å; N305-T330 WeakPolarHBondContact CB-OG1 3.35Å; N305-T330 PolarHBondContact N-OG1 3.49Å; N305-T330 PolarHBondContact O-N 2.94Å
306T91.4Very high87.5Confident35 Ų3563.7 Ų63.722%0.21536%0.358CS..EExtended strand (participates in β ladder)trans-130.7146.3179.568.90000111.3R242 P303 M326 V327R242-T306 PolarHBondContact NH1-OG1 2.83Å; R242-T306 PolarHBondContact NH2-OG1 2.83Å; P303-T306 HydrophobicContact CB-CG2 3.49Å; P303-T306 VanDerWaalsContact CB-CG2 3.49Å; T306-M326 HydrophobicContact CG2-CG 4.04Å; T306-M326 HydrophobicContact CG2-SD 3.84Å; T306-V327 WeakPolarHBondContact CA-O 3.04Å
307K93.2Very high87.8Confident150 Ų15065.2 Ų65.265%0.65237%0.366SS*.EExtended strand (participates in β ladder)trans-117.5155.6171.5-65.1-172.2177.6-171.30109.6M326 V327K307-M326 CarbonylContact O-C 3.48Å; K307-M326 WeakPolarHBondContact O-CA 3.16Å; K307-V327 PolarHBondContact N-O 2.85Å; K307-V327 PolarHBondContact O-N 3.37Å
308T94.2Very high88Confident58 Ų5864.7 Ų64.736%0.35638%0.377SS..EExtended strand (participates in β ladder)trans-109.5125.1173.6-57.10000108.9R242 P324 V325R242-T308 HydrophobicContact CB-CG2 4.39Å; R242-T308 WeakPolarHBondContact CD-OG1 3.39Å; R242-T308 PolarHBondContact NH1-OG1 3.01Å; T308-P324 HydrophobicContact CG2-CB 3.57Å; T308-V325 CarbonylContact C-O 3.55Å; T308-V325 WeakPolarHBondContact CA-O 3.23Å
309I94.6Very high89Confident57 Ų5767.1 Ų67.129%0.29237%0.367SS..EExtended strand (participates in β ladder)trans-110.4151.3173.665.9171.8000109.9Y287 P324 V325 V327Y287-I309 HydrophobicContact CD1-CD1 3.85Å; Y287-I309 HydrophobicContact CE1-CD1 3.62Å; I309-P324 CarbonylContact O-C 3.6Å; I309-P324 WeakPolarHBondContact O-CA 3.33Å; I309-V325 HydrophobicContact CG1-CB 4.17Å; I309-V325 PolarHBondContact N-O 3.39Å; I309-V325 PolarHBondContact O-N 3.18Å; I309-V327 HydrophobicContact CB-CG2 4.32Å; I309-V327 HydrophobicContact CD1-CG2 3.64Å; I309-V327 HydrophobicContact CG1-CG2 3.73Å; I309-V327 HydrophobicContact CG2-CG2 3.7Å
310Q95.8Very high89.5Confident129 Ų12968.6 Ų68.660%0.60338%0.378SS*.EExtended strand (participates in β ladder)trans-88.2115.3168.2-64-66.6-700108.5
311A93.9Very high90Very high0 Ų068.8 Ų68.80%038%0.379CS..EExtended strand (participates in β ladder)trans-107.5139.1176.800000110.4Y287 F313 K322 K323 V325Y287-A311 HydrophobicContact CE2-CB 4.25Å; Y287-A311 WeakPolarHBondContact OH-CB 3.04Å; A311-F313 HydrophobicContact CB-CD2 4.37Å; A311-F313 HydrophobicContact CB-CE2 3.73Å; A311-F313 HydrophobicContact CB-CZ 4.41Å; A311-F313 WeakPolarHBondContact O-CD2 3.39Å; A311-K322 WeakPolarHBondContact O-CA 3.41Å; A311-K323 PolarHBondContact N-O 3.28Å; A311-K323 PolarHBondContact O-N 3.17Å; A311-V325 HydrophobicContact CB-CG2 3.74Å
312E95.7Very high90.5Very high58 Ų5874.6 Ų74.627%0.27140%0.402SS..EExtended strand (participates in β ladder)trans-92.7125.9177.8-70.8176.2-17900109.8S283 L284 I320 K322S283-E312 CarbonylContact C-O 3.5Å; S283-E312 VanDerWaalsContact CA-O 3.31Å; S283-E312 WeakPolarHBondContact CA-O 3.38Å; L284-E312 HydrophobicContact CD1-CB 3.92Å; L284-E312 HydrophobicContact CG-CB 4.45Å; L284-E312 PolarHBondContact N-O 2.83Å; E312-I320 HydrophobicContact CB-CG2 4.26Å; E312-K322 HydrophobicContact CG-CD 4.36Å; E312-K322 HydrophobicContact CG-CG 3.78Å; E312-K322 WeakPolarHBondContact OE1-CE 3.43Å; E312-K322 IonicContact OE1-NZ 3.04Å; E312-K322 PolarHBondContact OE1-NZ 3.03Å
313F94.8Very high90.9Very high1 Ų177.3 Ų77.30%0.00441%0.412CS..EExtended strand (participates in β ladder)trans-117.3135179.7-69.6-101.1000110.3L243 L276 F278 C281 T282 A311 I320 V321 K323 V325L243-F313 HydrophobicContact CD1-CE2 4.24Å; L243-F313 HydrophobicContact CD1-CZ 4.11Å; L276-F313 HydrophobicContact CB-CE1 3.81Å; L276-F313 HydrophobicContact CB-CZ 3.91Å; L276-F313 HydrophobicContact CD1-CZ 4.37Å; L276-F313 WeakPolarHBondContact O-CE1 3.2Å; F278-F313 HydrophobicContact CB-CE1 4.2Å; C281-F313 HydrophobicContact CB-CB 3.93Å; C281-F313 HydrophobicContact CB-CD1 4.23Å; C281-F313 HydrophobicContact CB-CG 4.47Å; T282-F313 CarbonylContact O-C 3.6Å; T282-F313 WeakPolarHBondContact O-CA 3.43Å; A311-F313 HydrophobicContact CB-CD2 4.37Å; A311-F313 HydrophobicContact CB-CE2 3.73Å; A311-F313 HydrophobicContact CB-CZ 4.41Å; A311-F313 WeakPolarHBondContact O-CD2 3.39Å; F313-I320 CarbonylContact O-C 3.54Å; F313-I320 VanDerWaalsContact O-CA 3.28Å; F313-I320 WeakPolarHBondContact O-CA 3.42Å; F313-V321 HydrophobicContact CB-CG2 4Å; F313-V321 PolarHBondContact N-O 2.89Å; F313-V321 PolarHBondContact O-N 2.71Å; F313-K323 HydrophobicContact CD2-CB 4.1Å; F313-K323 HydrophobicContact CD2-CG 4.32Å; F313-K323 HydrophobicContact CE2-CB 3.99Å; F313-V325 HydrophobicContact CE2-CG2 3.98Å; F313-V325 HydrophobicContact CZ-CG2 4.13Å
314Q94.4Very high91.1Very high104 Ų10477.1 Ų77.149%0.48641%0.411SS..EExtended strand (participates in β ladder)trans-91.9115.6168.2-170.4172.93000108.7C281 T282 L284C281-Q314 VanDerWaalsContact CA-O 3.29Å; C281-Q314 WeakPolarHBondContact CA-O 3.36Å; T282-Q314 PolarHBondContact N-O 3.05Å; T282-Q314 PolarHBondContact O-N 2.88Å; L284-Q314 HydrophobicContact CD2-CB 3.77Å; L284-Q314 HydrophobicContact CG-CB 4.49Å
315C91.6Very high91.6Very high14 Ų1471.1 Ų71.110%0.09538%0.383CS..EExtended strand (participates in β ladder)trans-103.7145.1177.9-58.60000110.3N280 C281 P317 G318 Q319 V321N280-C315 WeakPolarHBondContact O-CA 3.42Å; C281-C315 HydrophobicContact CB-CB 3.96Å; C281-C315 WeakPolarHBondContact CB-SG 3.46Å; C281-C315 WeakPolarHBondContact SG-CB 3.24Å; C281-C315 CovalentContact SG-SG 2.03Å; C281-C315 PolarHBondContact SG-SG 2.85Å; C315-P317 CarbonylContact O-C 3.56Å; C315-G318 CarbonylContact O-C 3.57Å; C315-G318 WeakPolarHBondContact O-CA 3.3Å; C315-G318 PolarHBondContact O-N 3.11Å; C315-Q319 PolarHBondContact N-O 3.21Å; C315-Q319 PolarHBondContact O-N 2.04Å; C315-V321 VanDerWaalsContact SG-CG2 3.53Å
316S88.4Confident91.9Very high100 Ų10067.8 Ų67.870%0.69937%0.365SS*.THydrogen-bonded Turntrans-76.7129.2171.3-62.50000111.2N280N280-S316 PolarHBondContact O-N 2.91Å
317P77.8Confident92Very high130 Ų13068.7 Ų68.784%0.84437%0.37SS*.THydrogen-bonded Turncis-93.9104.34.434.5-28.3000112.9C315 Q319C315-P317 CarbonylContact O-C 3.56Å; P317-Q319 VanDerWaalsContact C-N 3.26Å; P317-Q319 PolarHBondContact O-N 3.35Å
318G79.3Confident91.9Very high57 Ų5761.7 Ų61.759%0.58834%0.34SS*.THydrogen-bonded Turntrans66.60.8167.100000118.8C315C315-G318 CarbonylContact O-C 3.57Å; C315-G318 WeakPolarHBondContact O-CA 3.3Å; C315-G318 PolarHBondContact O-N 3.11Å
319Q89.4Confident91.6Very high129 Ų12959.8 Ų59.860%0.60333%0.333SS*.EExtended strand (participates in β ladder)trans-77.3129.8-177.4-169.9-179.828.800111.5C315 P317 V321C315-Q319 PolarHBondContact N-O 3.21Å; C315-Q319 PolarHBondContact O-N 2.04Å; P317-Q319 VanDerWaalsContact C-N 3.26Å; P317-Q319 PolarHBondContact O-N 3.35Å; Q319-V321 HydrophobicContact CG-CG1 4.01Å
320I91.4Very high91.1Very high96 Ų9660.2 Ų60.249%0.49234%0.338SS..EExtended strand (participates in β ladder)trans-93.8121.6171.4-60.2170.6000109.3L284 E312 F313L284-I320 HydrophobicContact CD1-CD1 4.1Å; L284-I320 HydrophobicContact CD1-CG1 4.41Å; L284-I320 HydrophobicContact CD1-CG2 4.05Å; E312-I320 HydrophobicContact CB-CG2 4.26Å; F313-I320 CarbonylContact O-C 3.54Å; F313-I320 VanDerWaalsContact O-CA 3.28Å; F313-I320 WeakPolarHBondContact O-CA 3.42Å
321V92.2Very high90.7Very high30 Ų3054.9 Ų54.918%0.18231%0.314CS..EExtended strand (participates in β ladder)trans-120139.2178.1-60.30000111.2F313 C315 Q319 K323F313-V321 HydrophobicContact CB-CG2 4Å; F313-V321 PolarHBondContact N-O 2.89Å; F313-V321 PolarHBondContact O-N 2.71Å; C315-V321 VanDerWaalsContact SG-CG2 3.53Å; Q319-V321 HydrophobicContact CG-CG1 4.01Å; V321-K323 HydrophobicContact CG2-CG 4.3Å
322K93.6Very high90.3Very high134 Ų13457.2 Ų57.258%0.58333%0.329SS*.EExtended strand (participates in β ladder)trans-90.9126.3172.1-70-179.1-172.1-147.30109.5A311 E312A311-K322 WeakPolarHBondContact O-CA 3.41Å; E312-K322 HydrophobicContact CG-CD 4.36Å; E312-K322 HydrophobicContact CG-CG 3.78Å; E312-K322 WeakPolarHBondContact OE1-CE 3.43Å; E312-K322 IonicContact OE1-NZ 3.04Å; E312-K322 PolarHBondContact OE1-NZ 3.03Å
323K92.6Very high89.7Confident86 Ų8655.4 Ų55.437%0.37432%0.322SS..EExtended strand (participates in β ladder)trans-128.4137.1176.8-65.6-66.3-176.8-173.10110.8L243 A311 F313 V321 V325L243-K323 HydrophobicContact CD1-CB 3.93Å; L243-K323 HydrophobicContact CD1-CG 4.43Å; A311-K323 PolarHBondContact N-O 3.28Å; A311-K323 PolarHBondContact O-N 3.17Å; F313-K323 HydrophobicContact CD2-CB 4.1Å; F313-K323 HydrophobicContact CD2-CG 4.32Å; F313-K323 HydrophobicContact CE2-CB 3.99Å; V321-K323 HydrophobicContact CG2-CG 4.3Å; K323-V325 PolarHBondContact O-N 3.42Å
324P95.5Very high89.1Confident33 Ų3357.9 Ų57.921%0.21433%0.334CS..EExtended strand (participates in β ladder)trans-71.2128.517226.6-31.2000110.2T241 R242 L243 T308 I309T241-P324 VanDerWaalsContact O-CG 3.3Å; T241-P324 WeakPolarHBondContact O-CG 3.28Å; R242-P324 WeakPolarHBondContact CA-O 3.46Å; R242-P324 HydrophobicContact CB-CB 4.04Å; R242-P324 HydrophobicContact CB-CG 4.22Å; L243-P324 PolarHBondContact N-O 2.89Å; T308-P324 HydrophobicContact CG2-CB 3.57Å; I309-P324 CarbonylContact O-C 3.6Å; I309-P324 WeakPolarHBondContact O-CA 3.33Å
325V95.3Very high88.4Confident6 Ų658.6 Ų58.64%0.03635%0.345CS..EExtended strand (participates in β ladder)trans-125.3135.6-178.7-175.40000110.3L243 L276 T308 I309 A311 F313 K323L243-V325 HydrophobicContact CB-CG2 4.2Å; L243-V325 HydrophobicContact CD1-CG2 4.22Å; L243-V325 CarbonylContact O-C 3.55Å; L243-V325 WeakPolarHBondContact O-CA 3.42Å; L276-V325 HydrophobicContact CD1-CG1 3.93Å; L276-V325 HydrophobicContact CD1-CG2 4.36Å; T308-V325 CarbonylContact C-O 3.55Å; T308-V325 WeakPolarHBondContact CA-O 3.23Å; I309-V325 HydrophobicContact CG1-CB 4.17Å; I309-V325 PolarHBondContact N-O 3.39Å; I309-V325 PolarHBondContact O-N 3.18Å; A311-V325 HydrophobicContact CB-CG2 3.74Å; F313-V325 HydrophobicContact CE2-CG2 3.98Å; F313-V325 HydrophobicContact CZ-CG2 4.13Å; K323-V325 PolarHBondContact O-N 3.42Å
326M95.3Very high87.8Confident17 Ų1764.6 Ų64.68%0.08438%0.376CS..EExtended strand (participates in β ladder)trans-74.3125.9174.8-175.3179.677.200111.5R242 L243 C244 P303 T306 K307 I328R242-M326 PolarHBondContact NH2-SD 2.8Å; R242-M326 VanDerWaalsContact NH2-SD 3.4Å; L243-M326 WeakPolarHBondContact O-CB 3.29Å; L243-M326 PolarHBondContact O-N 3.13Å; C244-M326 HydrophobicContact CB-CB 4.12Å; C244-M326 HydrophobicContact CB-CE 3.53Å; C244-M326 HydrophobicContact CB-SD 4Å; P303-M326 HydrophobicContact CB-CE 4.42Å; P303-M326 HydrophobicContact CG-CE 3.96Å; T306-M326 HydrophobicContact CG2-CG 4.04Å; T306-M326 HydrophobicContact CG2-SD 3.84Å; K307-M326 CarbonylContact O-C 3.48Å; K307-M326 WeakPolarHBondContact O-CA 3.16Å; M326-I328 HydrophobicContact CE-CD1 4.02Å; M326-I328 HydrophobicContact CE-CG1 3.85Å
327V92.7Very high87.1Confident53 Ų5362.2 Ų62.232%0.32136%0.359SS..EExtended strand (participates in β ladder)trans-106119.4169.1-179.40000108.7T306 K307 I309 G329T306-V327 WeakPolarHBondContact CA-O 3.04Å; K307-V327 PolarHBondContact N-O 2.85Å; K307-V327 PolarHBondContact O-N 3.37Å; I309-V327 HydrophobicContact CB-CG2 4.32Å; I309-V327 HydrophobicContact CD1-CG2 3.64Å; I309-V327 HydrophobicContact CG1-CG2 3.73Å; I309-V327 HydrophobicContact CG2-CG2 3.7Å; V327-G329 PolarHBondContact O-N 3.09Å
328I90.7Very high86.6Confident3 Ų359.3 Ų59.32%0.01534%0.341CS..EExtended strand (participates in β ladder)trans-77.4123.8179.2-58.9175.6000109.1R290 P303 M326R290-I328 HydrophobicContact CB-CB 4.21Å; R290-I328 HydrophobicContact CB-CG2 4.49Å; R290-I328 WeakPolarHBondContact CB-O 3.39Å; R290-I328 WeakPolarHBondContact CD-O 3.38Å; R290-I328 WeakPolarHBondContact O-CD1 3.44Å; P303-I328 HydrophobicContact CB-CD1 4.37Å; P303-I328 HydrophobicContact CB-CG1 4.22Å; P303-I328 HydrophobicContact CB-CG2 4.41Å; P303-I328 HydrophobicContact CG-CD1 3.92Å; P303-I328 HydrophobicContact CG-CG1 4.27Å; M326-I328 HydrophobicContact CE-CD1 4.02Å; M326-I328 HydrophobicContact CE-CG1 3.85Å
329G87.8Confident85.7Confident19 Ų1964.6 Ų64.620%0.19635%0.347CS..  trans-84.9-59.917100000110.9R290 N305 V327R290-G329 WeakPolarHBondContact CD-O 3.35Å; R290-G329 PolarHBondContact NH1-O 3.27Å; N305-G329 VanDerWaalsContact O-CA 3.24Å; N305-G329 WeakPolarHBondContact O-CA 3.36Å; N305-G329 PolarHBondContact O-N 2.97Å; V327-G329 PolarHBondContact O-N 3.09Å
330T85.4Confident83.9Confident65 Ų6562.2 Ų62.240%0.39934%0.339SS..  trans-139.1159-179.360.10000111.3H304 N305H304-T330 PolarHBondContact N-O 3.01Å; N305-T330 VanDerWaalsContact CB-OG1 3.31Å; N305-T330 WeakPolarHBondContact CB-OG1 3.35Å; N305-T330 PolarHBondContact N-OG1 3.49Å; N305-T330 PolarHBondContact O-N 2.94Å
331C86.4Confident81.7Confident17 Ų1764.2 Ų64.212%0.11535%0.35CS..EExtended strand (participates in β ladder)trans-122.5151.8175.7-50.40000110C292 C301 T302C292-C331 WeakPolarHBondContact CA-SG 3.03Å; C292-C331 HydrophobicContact CB-CB 3.81Å; C292-C331 WeakPolarHBondContact CB-SG 3.4Å; C292-C331 WeakPolarHBondContact SG-CB 3.37Å; C292-C331 CovalentContact SG-SG 2.04Å; C292-C331 PolarHBondContact SG-SG 3.23Å; C301-C331 VanDerWaalsContact SG-CB 3.54Å; T302-C331 CarbonylContact O-C 3.44Å; T302-C331 WeakPolarHBondContact O-CA 3.42Å; T302-C331 WeakPolarHBondContact O-CB 3.17Å
332T86.2Confident79.3Confident50 Ų5067.6 Ų67.631%0.30736%0.364SS..EExtended strand (participates in β ladder)trans-133.2152.4176.877.20000111.1C301 T302 H304C301-T332 CarbonylContact C-O 3.05Å; C301-T332 VanDerWaalsContact CA-O 3.31Å; C301-T332 WeakPolarHBondContact CA-O 3.05Å; T302-T332 PolarHBondContact N-O 3.32Å; T302-T332 PolarHBondContact O-N 2.04Å; H304-T332 HydrophobicContact CB-CG2 3.37Å; H304-T332 VanDerWaalsContact CG-CG2 3.49Å
333C83.3Confident76.7Confident19 Ų1964.6 Ų64.613%0.12836%0.364CS..EExtended strand (participates in β ladder)trans-95.3128.8174.1-680000110.6K263 C264 C295 R299 C300K263-C333 PolarHBondContact O-SG 2.79Å; C264-C333 WeakPolarHBondContact CB-SG 3.31Å; C295-C333 HydrophobicContact CB-CB 3.99Å; C295-C333 WeakPolarHBondContact CB-SG 3.06Å; C295-C333 WeakPolarHBondContact SG-CB 3.48Å; C295-C333 CovalentContact SG-SG 2.01Å; C295-C333 PolarHBondContact SG-SG 2.83Å; R299-C333 HydrophobicContact CB-CB 4.09Å; R299-C333 VanDerWaalsContact CZ-CB 3.48Å; R299-C333 PolarHBondContact NH1-O 2.85Å; C300-C333 VanDerWaalsContact O-CA 3.3Å; C300-C333 WeakPolarHBondContact O-CA 2.99Å
334H80.9Confident74.1Confident54 Ų5467.7 Ų67.725%0.2538%0.378CS..EExtended strand (participates in β ladder)trans-138.7162174.26084.5000110.9R299 C300 T302 N336R299-H334 WeakPolarHBondContact CB-O 3.47Å; C300-H334 PolarHBondContact N-O 3.33Å; C300-H334 PolarHBondContact O-N 3.37Å; C300-H334 VanDerWaalsContact O-N 3.1Å; C300-H334 VanDerWaalsContact SG-CE1 3.51Å; C300-H334 PolarHBondContact SG-O 2.98Å; T302-H334 WeakPolarHBondContact CB-NE2 3.47Å; T302-H334 WeakPolarHBondContact CG2-NE2 3.2Å; T302-H334 PolarHBondContact OG1-CD2 2.87Å; T302-H334 PolarHBondContact OG1-NE2 2.8Å; H334-N336 PolarHBondContact CE1-O 3.42Å; H334-N336 PolarHBondContact ND1-O 3.48Å
335T80.9Confident71.5Confident118 Ų11871.5 Ų71.572%0.72440%0.396SS*.SBendtrans-84.9-26.2-179.446.70000112.7R299 C337R299-T335 HydrophobicContact CG-CG2 3.91Å; T335-C337 VanDerWaalsContact C-N 3.33Å; T335-C337 PolarHBondContact O-N 2.88Å
336N79Confident68.8Low140 Ų14077.6 Ų77.675%0.74942%0.424SS*.SBendtrans-80.376.5-179-172.515.7000111.5H334H334-N336 PolarHBondContact CE1-O 3.42Å; H334-N336 PolarHBondContact ND1-O 3.48Å
337C74.4Confident66.1Low50 Ų5082.4 Ų82.434%0.33845%0.446SS..  trans-75.6139.3-172.2-61.10000112.9C300 T335 K339C300-C337 HydrophobicContact CB-CB 3.82Å; C300-C337 WeakPolarHBondContact CB-SG 3.33Å; C300-C337 PolarHBondContact N-SG 2.85Å; C300-C337 VanDerWaalsContact N-SG 3.39Å; C300-C337 WeakPolarHBondContact SG-CA 3.41Å; C300-C337 WeakPolarHBondContact SG-CB 3.41Å; C300-C337 CovalentContact SG-SG 2.04Å; C300-C337 PolarHBondContact SG-SG 3.26Å; T335-C337 VanDerWaalsContact C-N 3.33Å; T335-C337 PolarHBondContact O-N 2.88Å; C337-K339 PolarHBondContact O-N 2.99Å; C337-K339 VanDerWaalsContact O-N 3.09Å
338P66.6Low63.8Low70 Ų7083.9 Ų83.946%0.45545%0.452SS..  trans-58.5120174.523.2-30.7000108.2A215 T302 N340A215-P338 HydrophobicContact CB-CB 4.18Å; T302-P338 HydrophobicContact CG2-CG 4.4Å; P338-N340 PolarHBondContact O-N 2.97Å; P338-N340 VanDerWaalsContact O-N 3.07Å
339K60.7Low61.6Low167 Ų16790.8 Ų90.873%0.72648%0.484SS*.  trans-57.4115.9177.5-66.1-176-179.3-1770107.7C337 N341C337-K339 PolarHBondContact O-N 2.99Å; C337-K339 VanDerWaalsContact O-N 3.09Å; K339-N341 PolarHBondContact O-N 2.89Å
340N50.6Low59.5Low80 Ų8095.8 Ų95.843%0.42851%0.506SS..  trans-75.9115.9-177.3-152.922.4000107.4P338 E342P338-N340 PolarHBondContact O-N 2.97Å; P338-N340 VanDerWaalsContact O-N 3.07Å; N340-E342 PolarHBondContact ND2-OE2 3.33Å; N340-E342 PolarHBondContact O-N 3.01Å
341N45Very low57.6Low137 Ų13799.4 Ų99.473%0.73352%0.516SS*.THydrogen-bonded Turntrans-65.65175.5-79.8-0.3000113.4K339 A343 F344K339-N341 PolarHBondContact O-N 2.89Å; N341-A343 VanDerWaalsContact C-N 3.27Å; N341-A343 PolarHBondContact O-N 3.27Å; N341-F344 WeakPolarHBondContact O-CB 3.25Å; N341-F344 PolarHBondContact O-N 3.47Å
342E43Very low55.7Low102 Ų102103.3 Ų103.348%0.47754%0.54SS..Hα-helixtrans-70.1-19.6178.2-69.1-176164.900113.3N340 F344 L345 Q346N340-E342 PolarHBondContact ND2-OE2 3.33Å; N340-E342 PolarHBondContact O-N 3.01Å; E342-F344 PolarHBondContact O-N 3Å; E342-L345 PolarHBondContact O-N 3.4Å; E342-Q346 PolarHBondContact O-N 3.09Å
343A38.8Very low53.7Low71 Ų71106 Ų10659%0.58756%0.556SS**Hα-helixtrans-66.7-25.7171.300000112.8N341 E347N341-A343 VanDerWaalsContact C-N 3.27Å; N341-A343 PolarHBondContact O-N 3.27Å; A343-E347 PolarHBondContact O-N 3.38Å
344F37.1Very low52Low150 Ų150116 Ų11666%0.65859%0.591SS**Hα-helixtrans-77-33.4-179.9-166.9-103.5000112.4N341 E342 L348N341-F344 WeakPolarHBondContact O-CB 3.25Å; N341-F344 PolarHBondContact O-N 3.47Å; E342-F344 PolarHBondContact O-N 3Å; F344-L348 HydrophobicContact CD1-CD1 3.76Å; F344-L348 HydrophobicContact CE1-CD1 3.67Å; F344-L348 WeakPolarHBondContact O-CD1 3.35Å; F344-L348 PolarHBondContact O-N 2.92Å
345L41.5Very low50.3Low113 Ų113116.7 Ų116.759%0.59261%0.612SS**Hα-helixtrans-75.6-33179.9-69.7172.1000112.6E342 E347 L348 E349E342-L345 PolarHBondContact O-N 3.4Å; L345-E347 VanDerWaalsContact C-N 3.34Å; L345-L348 HydrophobicContact CD2-CD1 4.44Å; L345-L348 PolarHBondContact O-N 3.45Å; L345-E349 PolarHBondContact O-N 2.98Å
346Q37.8Very low48.5Very low134 Ų134120.2 Ų120.263%0.62662%0.618SS**Hα-helixtrans-72.2-30.9176.8-135.2166.810.400112E342 E349 L350E342-Q346 PolarHBondContact O-N 3.09Å; Q346-E349 PolarHBondContact O-N 3.16Å; Q346-L350 PolarHBondContact O-N 3.33Å
347E40.4Very low46.6Very low118 Ų118125.8 Ų125.855%0.55164%0.642SS**Hα-helixtrans-70.7-30.5173.5-167.9128.5-164.700112.6A343 L345 K351A343-E347 PolarHBondContact O-N 3.38Å; L345-E347 VanDerWaalsContact C-N 3.34Å; E347-K351 HydrophobicContact CG-CD 4.45Å; E347-K351 WeakPolarHBondContact O-CB 3.46Å; E347-K351 VanDerWaalsContact O-CG 3.29Å; E347-K351 WeakPolarHBondContact O-CG 3.27Å; E347-K351 PolarHBondContact O-N 3.34Å; E347-K351 VanDerWaalsContact O-N 3.14Å
348L44.4Very low45.2Very low84 Ų84129.6 Ų129.644%0.4466%0.658SS.*Hα-helixtrans-70.4-37.9172.7-86.2151.4000112.7F344 L345 T352F344-L348 HydrophobicContact CD1-CD1 3.76Å; F344-L348 HydrophobicContact CE1-CD1 3.67Å; F344-L348 WeakPolarHBondContact O-CD1 3.35Å; F344-L348 PolarHBondContact O-N 2.92Å; L345-L348 HydrophobicContact CD2-CD1 4.44Å; L345-L348 PolarHBondContact O-N 3.45Å; L348-T352 WeakPolarHBondContact O-CB 3.46Å; L348-T352 PolarHBondContact O-N 3.11Å; L348-T352 VanDerWaalsContact O-N 3.1Å; L348-T352 PolarHBondContact O-OG1 3.44Å
349E42.5Very low44Very low148 Ų148132.7 Ų132.769%0.69267%0.668SS**Hα-helixtrans-71.4-36.6177.6-73.5-173.2161.100112.9L345 Q346 T352 T353L345-E349 PolarHBondContact O-N 2.98Å; Q346-E349 PolarHBondContact O-N 3.16Å; E349-T352 PolarHBondContact O-N 3.15Å; E349-T353 PolarHBondContact O-N 3.3Å; E349-T353 PolarHBondContact O-OG1 3.39Å
350L43.7Very low43.1Very low124 Ų124130.8 Ų130.865%0.64967%0.665SS**Hα-helixtrans-70.9-32.2174.4-96.1140.5000113.1Q346 T353Q346-L350 PolarHBondContact O-N 3.33Å; L350-T353 PolarHBondContact O-OG1 3.26Å
351K45.6Very low42.7Very low142 Ų142133.8 Ų133.862%0.61768%0.679SS**Hα-helixtrans-73.8-30.3173.6-75.6178.4-178.2178.80112.5E347E347-K351 HydrophobicContact CG-CD 4.45Å; E347-K351 WeakPolarHBondContact O-CB 3.46Å; E347-K351 VanDerWaalsContact O-CG 3.29Å; E347-K351 WeakPolarHBondContact O-CG 3.27Å; E347-K351 PolarHBondContact O-N 3.34Å; E347-K351 VanDerWaalsContact O-N 3.14Å
352T46.7Very low42.5Very low99 Ų99133.6 Ų133.661%0.60768%0.676SS**Hα-helixtrans-73.2-29.1178.8-53.60000112.8L348 E349L348-T352 WeakPolarHBondContact O-CB 3.46Å; L348-T352 PolarHBondContact O-N 3.11Å; L348-T352 VanDerWaalsContact O-N 3.1Å; L348-T352 PolarHBondContact O-OG1 3.44Å; E349-T352 PolarHBondContact O-N 3.15Å
353T45.1Very low42.5Very low106 Ų106135.7 Ų135.765%0.6569%0.689SS**Hα-helixtrans-81.3-25.2176.926.40000113.5E349 L350E349-T353 PolarHBondContact O-N 3.3Å; E349-T353 PolarHBondContact O-OG1 3.39Å; L350-T353 PolarHBondContact O-OG1 3.26Å
354R46.5Very low42.7Very low230 Ų230140.4 Ų140.487%0.86870%0.696SS**Hα-helixtrans-81.9-13.4178.2-152.5171.9-158.9165.35.2114.2
355G45.4Very low43.2Very low67 Ų67139.6 Ų139.669%0.69170%0.699SS**THydrogen-bonded Turntrans-9513.7177.800000115.1
356K44.3Very low43.3Very low193 Ų193141.8 Ų141.884%0.83971%0.708SS**  trans-128.920.8-175.5-111.6-175.2-176.3-1800115.3
357M37.6Very low43.8Very low257 Ų257142.5 Ų142.5100%1.26672%0.716SS**  trans-116.10166.6-91.8-179.6170.100110.9

Retrieved 357 of 357 residues in 79.4 ms (Link to these results)