A0A087XYQ1_POEFO Loading...

TNF superfamily member 13b

AlphaFold DB , UniProt , Accession A0A087XYQ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 223 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
1M56.1Low73.7Confident215 Ų215124.4 Ų124.4100%1.05966%0.657SS**  0-25.80-70.5-153.8-74.200114.4
2A59.8Low75Confident73 Ų73129.8 Ų129.860%0.60366%0.662SS**Hα-helixtrans-69.2-34.9-178.100000115.4S4 L5 Y6A2-S4 PolarHBondContact O-N 3.01Å; A2-L5 PolarHBondContact O-N 3.48Å; A2-Y6 PolarHBondContact O-N 2.89Å
3L63Low76.1Confident148 Ų148124.6 Ų124.678%0.77565%0.65SS**Hα-helixtrans-65.8-36.2-179-77158.1000113.4Y6 Q7L3-Y6 PolarHBondContact O-N 3.38Å; L3-Q7 WeakPolarHBondContact O-CG 3.38Å; L3-Q7 PolarHBondContact O-N 2.96Å
4S70Confident76.9Confident71 Ų71125 Ų12550%0.49765%0.647SS.*Hα-helixtrans-75-29.5-178.2-161.80000112.4A2 L8A2-S4 PolarHBondContact O-N 3.01Å; S4-L8 PolarHBondContact O-N 2.89Å
5L70.6Confident77.7Confident113 Ų113122.5 Ų122.559%0.59264%0.639SS**Hα-helixtrans-70.5-39172.5-78.8162.3000111.9A2 L8 V9A2-L5 PolarHBondContact O-N 3.48Å; L5-L8 PolarHBondContact O-N 2.87Å; L5-V9 WeakPolarHBondContact O-CG2 3.43Å; L5-V9 PolarHBondContact O-N 2.99Å
6Y77.1Confident78.4Confident184 Ų184121.4 Ų121.472%0.72263%0.63SS**Hα-helixtrans-62.3-44.2175.1-103.3-84.8000112A2 L3 L8 V9 D10A2-Y6 PolarHBondContact O-N 2.89Å; L3-Y6 PolarHBondContact O-N 3.38Å; Y6-L8 VanDerWaalsContact C-N 3.33Å; Y6-L8 PolarHBondContact O-N 3.25Å; Y6-V9 PolarHBondContact O-N 3.03Å; Y6-D10 WeakPolarHBondContact O-CB 3.42Å; Y6-D10 PolarHBondContact O-N 2.81Å
7Q77.4Confident79Confident126 Ų126116.4 Ų116.459%0.58961%0.614SS**Hα-helixtrans-61.3-40176.4-72174.7-30.300112.4L3 D10 L11L3-Q7 WeakPolarHBondContact O-CG 3.38Å; L3-Q7 PolarHBondContact O-N 2.96Å; Q7-D10 PolarHBondContact O-N 3.14Å; Q7-L11 VanDerWaalsContact O-CD1 3.23Å; Q7-L11 WeakPolarHBondContact O-CD1 3.49Å; Q7-L11 PolarHBondContact O-N 3.06Å
8L80.8Confident79.3Confident115 Ų115115.3 Ų115.360%0.60261%0.609SS**Hα-helixtrans-67.1-36.8176.4-83.1170.6000113S4 L5 Y6 R12S4-L8 PolarHBondContact O-N 2.89Å; L5-L8 PolarHBondContact O-N 2.87Å; Y6-L8 VanDerWaalsContact C-N 3.33Å; Y6-L8 PolarHBondContact O-N 3.25Å; L8-R12 WeakPolarHBondContact O-CB 3.36Å; L8-R12 PolarHBondContact O-N 2.82Å; L8-R12 VanDerWaalsContact O-N 3.1Å
9V84.9Confident79.8Confident98 Ų98115.7 Ų115.759%0.59461%0.605SS**Hα-helixtrans-68.8-40.3176.9172.10000110.8L5 Y6 R12 A13L5-V9 WeakPolarHBondContact O-CG2 3.43Å; L5-V9 PolarHBondContact O-N 2.99Å; Y6-V9 PolarHBondContact O-N 3.03Å; V9-R12 WeakPolarHBondContact O-CB 3.2Å; V9-R12 PolarHBondContact O-N 2.88Å; V9-A13 PolarHBondContact O-N 3.04Å; V9-A13 VanDerWaalsContact O-N 3.08Å
10D84.5Confident80Confident120 Ų120113.7 Ų113.764%0.64260%0.601SS**Hα-helixtrans-66.6-47.4179.7-150.831.9000111.4Y6 Q7 R12 A13 E14Y6-D10 WeakPolarHBondContact O-CB 3.42Å; Y6-D10 PolarHBondContact O-N 2.81Å; Q7-D10 PolarHBondContact O-N 3.14Å; D10-R12 PolarHBondContact O-N 2.76Å; D10-A13 WeakPolarHBondContact O-CB 3.19Å; D10-A13 PolarHBondContact O-N 2.76Å; D10-A13 VanDerWaalsContact O-N 3.12Å; D10-E14 PolarHBondContact O-N 3.46Å
11L86.6Confident80.2Confident105 Ų105111.5 Ų111.555%0.5559%0.59SS.*Hα-helixtrans-59-37.1173.6-97.581.8000112.2Q7 A13 E14 V15Q7-L11 VanDerWaalsContact O-CD1 3.23Å; Q7-L11 WeakPolarHBondContact O-CD1 3.49Å; Q7-L11 PolarHBondContact O-N 3.06Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-E14 PolarHBondContact O-N 3.09Å; L11-V15 VanDerWaalsContact O-CG2 3.29Å; L11-V15 WeakPolarHBondContact O-CG2 3.39Å; L11-V15 PolarHBondContact O-N 3.23Å
12R88.9Confident81.5Confident190 Ų190106.7 Ų106.772%0.71757%0.567SS**Hα-helixtrans-66-39178.5-167-179.4-148.7-152.74.8111.7L8 V9 D10 E16L8-R12 WeakPolarHBondContact O-CB 3.36Å; L8-R12 PolarHBondContact O-N 2.82Å; L8-R12 VanDerWaalsContact O-N 3.1Å; V9-R12 WeakPolarHBondContact O-CB 3.2Å; V9-R12 PolarHBondContact O-N 2.88Å; D10-R12 PolarHBondContact O-N 2.76Å; R12-E16 WeakPolarHBondContact O-CG 3.44Å; R12-E16 PolarHBondContact O-N 2.78Å; R12-E16 VanDerWaalsContact O-N 3.14Å
13A89.1Confident82.4Confident62 Ų62106.1 Ų106.151%0.51256%0.559SS.*Hα-helixtrans-66.3-41176.600000111.5V9 D10 L11 E16 G17V9-A13 PolarHBondContact O-N 3.04Å; V9-A13 VanDerWaalsContact O-N 3.08Å; D10-A13 WeakPolarHBondContact O-CB 3.19Å; D10-A13 PolarHBondContact O-N 2.76Å; D10-A13 VanDerWaalsContact O-N 3.12Å; L11-A13 VanDerWaalsContact C-N 3.34Å; A13-E16 PolarHBondContact O-N 2.88Å; A13-G17 PolarHBondContact O-N 3.5Å
14E87.4Confident83.2Confident130 Ų130105 Ų10561%0.60754%0.544SS*.Hα-helixtrans-65-41.3177.8-164.7174.4-165.600112.2D10 L11 G17 L18D10-E14 PolarHBondContact O-N 3.46Å; L11-E14 PolarHBondContact O-N 3.09Å; E14-G17 PolarHBondContact O-N 3.3Å; E14-L18 HydrophobicContact CG-CD1 4.33Å; E14-L18 WeakPolarHBondContact O-CG 3.12Å; E14-L18 PolarHBondContact O-N 2.75Å
15V88.6Confident83.3Confident87 Ų87107.8 Ų107.853%0.52755%0.551SS.*Hα-helixtrans-64.1-42.8176.3169.70000112L11 G17 L18 K19L11-V15 VanDerWaalsContact O-CG2 3.29Å; L11-V15 WeakPolarHBondContact O-CG2 3.39Å; L11-V15 PolarHBondContact O-N 3.23Å; V15-G17 VanDerWaalsContact C-N 3.34Å; V15-L18 PolarHBondContact O-N 3.05Å; V15-K19 VanDerWaalsContact O-CB 3.32Å; V15-K19 WeakPolarHBondContact O-CB 3.5Å; V15-K19 PolarHBondContact O-N 2.59Å
16E89.6Confident83.5Confident106 Ų106111.8 Ų111.850%0.49556%0.558SS.*Hα-helixtrans-67.7-35.7176.8-70.8-60.7148.900111.8R12 A13 K19 S20R12-E16 WeakPolarHBondContact O-CG 3.44Å; R12-E16 PolarHBondContact O-N 2.78Å; R12-E16 VanDerWaalsContact O-N 3.14Å; A13-E16 PolarHBondContact O-N 2.88Å; E16-K19 PolarHBondContact O-N 3.2Å; E16-S20 PolarHBondContact O-N 2.9Å; E16-S20 VanDerWaalsContact O-N 3.08Å
17G88.8Confident83.1Confident35 Ų35109.5 Ų109.536%0.36155%0.554SS.*Hα-helixtrans-60.4-51.8172.400000112.5A13 E14 V15 K19 S20 D21A13-G17 PolarHBondContact O-N 3.5Å; E14-G17 PolarHBondContact O-N 3.3Å; V15-G17 VanDerWaalsContact C-N 3.34Å; G17-K19 VanDerWaalsContact C-N 3.3Å; G17-K19 PolarHBondContact O-N 2.83Å; G17-S20 WeakPolarHBondContact O-CB 3.41Å; G17-S20 PolarHBondContact O-N 3.48Å; G17-S20 VanDerWaalsContact O-N 3.16Å; G17-D21 PolarHBondContact O-N 3.29Å
18L83.9Confident82.6Confident98 Ų98108.5 Ų108.551%0.51355%0.549SS..Hα-helixtrans-61.5-37.6178.7-74.8166.7000112.5E14 V15 S20 D21 I22E14-L18 HydrophobicContact CG-CD1 4.33Å; E14-L18 WeakPolarHBondContact O-CG 3.12Å; E14-L18 PolarHBondContact O-N 2.75Å; V15-L18 PolarHBondContact O-N 3.05Å; L18-S20 VanDerWaalsContact C-N 3.35Å; L18-D21 PolarHBondContact O-N 3.27Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.33Å; L18-I22 PolarHBondContact O-N 3.35Å
19K88.6Confident81.4Confident123 Ų123105.6 Ų105.654%0.53555%0.547SS..Hα-helixtrans-66.7-36.2177.3-171.6179.2175.4-170.10112.4V15 E16 G17 S23V15-K19 VanDerWaalsContact O-CB 3.32Å; V15-K19 WeakPolarHBondContact O-CB 3.5Å; V15-K19 PolarHBondContact O-N 2.59Å; E16-K19 PolarHBondContact O-N 3.2Å; G17-K19 VanDerWaalsContact C-N 3.3Å; G17-K19 PolarHBondContact O-N 2.83Å; K19-S23 PolarHBondContact O-N 2.86Å; K19-S23 VanDerWaalsContact O-N 3.14Å; K19-S23 PolarHBondContact O-OG 3.42Å
20S84.8Confident79.8Confident75 Ų75108.7 Ų108.752%0.52455%0.552SS.*Hα-helixtrans-65.2-45.9172.6-174.70000111.4E16 G17 L18 I22 S23 R24E16-S20 PolarHBondContact O-N 2.9Å; E16-S20 VanDerWaalsContact O-N 3.08Å; G17-S20 WeakPolarHBondContact O-CB 3.41Å; G17-S20 PolarHBondContact O-N 3.48Å; G17-S20 VanDerWaalsContact O-N 3.16Å; L18-S20 VanDerWaalsContact C-N 3.35Å; S20-I22 PolarHBondContact O-N 2.75Å; S20-S23 WeakPolarHBondContact O-CB 3.43Å; S20-S23 PolarHBondContact O-N 2.79Å; S20-S23 VanDerWaalsContact O-N 3.16Å; S20-R24 PolarHBondContact O-N 3.07Å
21D84.3Confident77.9Confident68 Ų68111.3 Ų111.336%0.36456%0.558SS.*Hα-helixtrans-64.2-40.3179.1-77.3-28.5000112.6G17 L18 S23 R24 M25G17-D21 PolarHBondContact O-N 3.29Å; L18-D21 PolarHBondContact O-N 3.27Å; D21-S23 VanDerWaalsContact C-N 3.32Å; D21-S23 PolarHBondContact O-N 3.31Å; D21-R24 PolarHBondContact O-N 3.11Å; D21-R24 IonicContact OD1-CZ 3.17Å; D21-R24 IonicContact OD1-NH1 2.91Å; D21-R24 PolarHBondContact OD1-NH1 2.95Å; D21-R24 IonicContact OD1-NH2 2.79Å; D21-R24 PolarHBondContact OD1-NH2 2.94Å; D21-M25 WeakPolarHBondContact O-CG 3.46Å; D21-M25 PolarHBondContact O-N 3.16Å
22I81.8Confident76.1Confident113 Ų113112.3 Ų112.358%0.57957%0.568SS**Hα-helixtrans-62.5-39.6173.9-70.3168.4000111.2L18 S20 M25 R26L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.33Å; L18-I22 PolarHBondContact O-N 3.35Å; S20-I22 PolarHBondContact O-N 2.75Å; I22-M25 PolarHBondContact O-N 3.25Å; I22-R26 WeakPolarHBondContact O-CB 3.34Å; I22-R26 PolarHBondContact O-N 2.89Å
23S80.4Confident73.9Confident62 Ų62107.9 Ų107.943%0.43457%0.567SS.*Hα-helixtrans-66.1-42177.8-57.90000111.2K19 S20 D21 R26 E27K19-S23 PolarHBondContact O-N 2.86Å; K19-S23 VanDerWaalsContact O-N 3.14Å; K19-S23 PolarHBondContact O-OG 3.42Å; S20-S23 WeakPolarHBondContact O-CB 3.43Å; S20-S23 PolarHBondContact O-N 2.79Å; S20-S23 VanDerWaalsContact O-N 3.16Å; D21-S23 VanDerWaalsContact C-N 3.32Å; D21-S23 PolarHBondContact O-N 3.31Å; S23-R26 WeakPolarHBondContact O-CB 3.36Å; S23-R26 PolarHBondContact O-N 2.88Å; S23-E27 PolarHBondContact O-N 2.72Å; S23-E27 VanDerWaalsContact O-N 3.08Å
24R78.2Confident71.4Confident124 Ų124112.7 Ų112.747%0.46858%0.578SS.*Hα-helixtrans-61.3-47.3174.8-173.3176.569.3-126.2-9111.9S20 D21 R26 E27 E28S20-R24 PolarHBondContact O-N 3.07Å; D21-R24 PolarHBondContact O-N 3.11Å; D21-R24 IonicContact OD1-CZ 3.17Å; D21-R24 IonicContact OD1-NH1 2.91Å; D21-R24 PolarHBondContact OD1-NH1 2.95Å; D21-R24 IonicContact OD1-NH2 2.79Å; D21-R24 PolarHBondContact OD1-NH2 2.94Å; R24-R26 PolarHBondContact O-N 3.12Å; R24-E27 PolarHBondContact O-N 2.87Å; R24-E27 VanDerWaalsContact O-N 3.13Å; R24-E28 HydrophobicContact CG-CG 4.48Å; R24-E28 WeakPolarHBondContact CG-OE1 3.37Å; R24-E28 WeakPolarHBondContact O-CG 3.34Å; R24-E28 PolarHBondContact O-N 2.86Å
25M72.2Confident68.9Low129 Ų129117.6 Ų117.664%0.63559%0.591SS**Hα-helixtrans-62.7-32.3177.3-69.4-140.2-57.900112.7D21 I22 G29D21-M25 WeakPolarHBondContact O-CG 3.46Å; D21-M25 PolarHBondContact O-N 3.16Å; I22-M25 PolarHBondContact O-N 3.25Å; M25-G29 PolarHBondContact O-N 2.85Å
26R75.8Confident66.2Low198 Ų198119.1 Ų119.175%0.74760%0.596SS**Hα-helixtrans-70.1-33.9175.7-165.5177.6-172.3-174.52.5112.6I22 S23 R24 K30I22-R26 WeakPolarHBondContact O-CB 3.34Å; I22-R26 PolarHBondContact O-N 2.89Å; S23-R26 WeakPolarHBondContact O-CB 3.36Å; S23-R26 PolarHBondContact O-N 2.88Å; R24-R26 PolarHBondContact O-N 3.12Å; R26-K30 PolarHBondContact O-N 2.81Å
27E68.5Low64Low135 Ų135123.1 Ų123.163%0.63162%0.615SS**Hα-helixtrans-74.2-38.9173.9-71.2-176.9178.200112.2S23 R24 K30 K31S23-E27 PolarHBondContact O-N 2.72Å; S23-E27 VanDerWaalsContact O-N 3.08Å; R24-E27 PolarHBondContact O-N 2.87Å; R24-E27 VanDerWaalsContact O-N 3.13Å; E27-K30 PolarHBondContact O-N 3.4Å; E27-K31 PolarHBondContact O-N 3.44Å
28E66.8Low61.2Low106 Ų106128.2 Ų128.250%0.49564%0.639SS.*Hα-helixtrans-67.8-40.5176.5-71.6173.3178.400111.8R24 K30 K31R24-E28 HydrophobicContact CG-CG 4.48Å; R24-E28 WeakPolarHBondContact CG-OE1 3.37Å; R24-E28 WeakPolarHBondContact O-CG 3.34Å; R24-E28 PolarHBondContact O-N 2.86Å; E28-K30 PolarHBondContact O-N 2.74Å; E28-K31 PolarHBondContact O-N 2.72Å
29G54.9Low58.6Low54 Ų54126.8 Ų126.856%0.55765%0.648SS**Hα-helixtrans-63.7-25.5174.200000114.1M25M25-G29 PolarHBondContact O-N 2.85Å
30K51.3Low55.7Low162 Ų162128.8 Ų128.870%0.70467%0.665SS**Hα-helixtrans-77.4-25.4175.1-107.4-179.9175.8-176.70113.5R26 E27 E28R26-K30 PolarHBondContact O-N 2.81Å; E27-K30 PolarHBondContact O-N 3.4Å; E28-K30 PolarHBondContact O-N 2.74Å
31K46.3Very low53.3Low175 Ų175132.9 Ų132.976%0.76168%0.679SS**Hα-helixtrans-76.8-20-179.7-74.8-178.9179.8174.30113.7E27 E28E27-K31 PolarHBondContact O-N 3.44Å; E28-K31 PolarHBondContact O-N 2.72Å
32V47Very low50.7Low126 Ų126139.5 Ų139.576%0.76471%0.705SS**THydrogen-bonded Turntrans-81.1-18.1179.9-176.40000112.4
33S44.1Very low48.1Very low98 Ų98138 Ų13869%0.68572%0.717SS**THydrogen-bonded Turntrans-87.8-2.7-176.2-167.40000115.4
34H37Very low45.6Very low162 Ų162145.3 Ų145.375%0.7574%0.735SS**  trans-116.639-174.7-94.6-62.8000113.9
35R33.2Very low43.2Very low233 Ų233145.8 Ų145.888%0.87974%0.743SS**  trans-120.175.4166.5-150176.7-172.1-175.11.8109.8Q37R35-Q37 PolarHBondContact O-N 2.94Å
36D32.8Very low41Very low120 Ų120147.5 Ų147.564%0.64276%0.755SS**  trans-48.1123.9164.5-66.7-52.2000109.2
37Q43.7Very low39Very low189 Ų189144.3 Ų144.388%0.88376%0.757SS**  42.488.686-72-16746.300112.8R35R35-Q37 PolarHBondContact O-N 2.94Å
38T30.3Very low37.2Very low142 Ų142147.8 Ų147.887%0.87177%0.77SS**  trans-142.8123.9155.5-36.90000107.6
39G28.4Very low35.4Very low68 Ų68147.5 Ų147.570%0.70179%0.786SS**  trans-91.8-173.9-154.800000117.5
40N27.8Very low34.1Very low165 Ų165152.1 Ų152.188%0.88280%0.797SS**  trans-168.4122.1132.2-115-37.6000110.9
41I33.6Very low33.1Very low162 Ų162153.1 Ų153.183%0.83180%0.804SS**  trans-90.7125.2167-67.4167.7000107
42K30.4Very low32.1Very low206 Ų206151.9 Ų151.990%0.89681%0.806SS**  trans-178136.8157.5-98.6162.1-171.8-173.10106.2
43G26.6Very low31.2Very low82 Ų82153.3 Ų153.385%0.84581%0.809SS**  cis-156.2171.815.200000112.3
44R29Very low30.8Very low216 Ų216153.4 Ų153.482%0.81581%0.807SS**  trans-113.2152.6-173.1163.7174.4171.1173.8-3.6107.8
45E28Very low30.2Very low133 Ų133153.7 Ų153.762%0.62181%0.808SS**  trans79.6116.3162.5-78.4158.9-166.100119.5
46N26.3Very low29.9Very low166 Ų166147.9 Ų147.989%0.88880%0.804SS**  -166.5121.6105.3-101.6-16.7000113.4
47T32.7Very low29.9Very low130 Ų130149.8 Ų149.880%0.79881%0.809SS**  trans-113.7124.8166.2-7.20000107
48K31.3Very low29.2Very low209 Ų209149.3 Ų149.391%0.90981%0.806SS**  trans173.6113.3140.3-95.9166.6-175.1-174.70113.5
49A28.3Very low29.4Very low100 Ų100146.9 Ų146.983%0.82680%0.8SS**  trans28.3134.3135.300000123.6
50L27.4Very low29.7Very low151 Ų151153 Ų15379%0.79181%0.808SS**  trans-161.4102.5142.4-163.267.7000108
51Q30.2Very low30.6Very low183 Ų183150.8 Ų150.886%0.85581%0.805SS**  70.8145.7100.5-70.5-175.7-9.300117.6
52D26.7Very low30.9Very low149 Ų149154.3 Ų154.380%0.79781%0.808SS**  trans-80.3149.1-152.6-74.9-52.9000119.8
53L26.9Very low31.6Very low156 Ų156152 Ų15282%0.81780%0.804SS**  trans46165.2141.1-96.683000123.4
54P35.9Very low32.2Very low100 Ų100159 Ų15965%0.64981%0.805SS**  cis-138.2172.33.934.1-11.6000118.7
55E24.8Very low32.8Very low167 Ų167159.4 Ų159.478%0.7881%0.807SS**  trans59.9118.5147.2-80.1-177.8148.500123.5
56S27.9Very low33.5Very low112 Ų112161.7 Ų161.778%0.78381%0.814SS**  trans-155.9115.1134.6174.90000110.1
57Q31.4Very low34Very low160 Ų160164.4 Ų164.475%0.74881%0.812SS**  trans-77.4122.2173.3-64.2173.3-4.200109
58H30.3Very low34.5Very low178 Ų178164.6 Ų164.682%0.82481%0.814SS**  trans-146119.5148.2-93.6-64.3000111.2
59A33.5Very low35.1Very low91 Ų91161.2 Ų161.275%0.75280%0.804SS**  trans-58130.7179.300000112.4
60F35.1Very low35.7Very low198 Ų198161.2 Ų161.287%0.86880%0.798SS**  trans-128.799.5149.1-82.6-78.8000108.7R62F60-R62 PolarHBondContact O-N 2.78Å
61S45.3Very low36.5Very low117 Ų117161.8 Ų161.882%0.81880%0.796SS**  trans-59.9101.4166.955.80000109.7
62R40.5Very low37.2Very low236 Ų236158.5 Ų158.589%0.89179%0.791SS**  trans-108.7104.2161.3-87-175.6171.1-175.6-1.3109.2F60 R64F60-R62 PolarHBondContact O-N 2.78Å; R62-R64 PolarHBondContact O-N 2.8Å; R62-R64 VanDerWaalsContact O-N 3.11Å
63I44.7Very low38.1Very low158 Ų158159.9 Ų159.981%0.8179%0.793SS**  trans-24.7105.6167.4-61.8160.5000111.3R65I63-R65 VanDerWaalsContact C-N 3.29Å; I63-R65 PolarHBondContact O-N 2.99Å
64R39.8Very low39.2Very low229 Ų229159 Ų15986%0.86479%0.787SS**  trans-73.983.5172-164.1177.7-170.1178.23.5108.1R62 K66R62-R64 PolarHBondContact O-N 2.8Å; R62-R64 VanDerWaalsContact O-N 3.11Å; R64-K66 VanDerWaalsContact C-N 3.31Å; R64-K66 PolarHBondContact O-N 2.85Å
65R41.9Very low39.8Very low225 Ų225159.4 Ų159.485%0.84979%0.793SS**  trans-63.2100.3158.1-93.1-174.9-179.7174.30.3106.4I63 R67I63-R65 VanDerWaalsContact C-N 3.29Å; I63-R65 PolarHBondContact O-N 2.99Å; R65-R67 PolarHBondContact O-N 3Å
66K42.2Very low41.6Very low180 Ų180158.3 Ų158.378%0.78379%0.792SS**  trans-55.598.6156.8-86.8-178.6173.2-179.90105.9R64 T68R64-K66 VanDerWaalsContact C-N 3.31Å; R64-K66 PolarHBondContact O-N 2.85Å; K66-T68 VanDerWaalsContact C-N 3.26Å; K66-T68 PolarHBondContact O-N 2.79Å; K66-T68 VanDerWaalsContact O-N 3.14Å
67R37.8Very low43.9Very low223 Ų223155.7 Ų155.784%0.84277%0.774SS**  trans-68101.4150.5-79.2-178.4176.7144-2.7104.2R65 I69R65-R67 PolarHBondContact O-N 3Å; R67-I69 HydrophobicContact CB-CG1 4.37Å; R67-I69 PolarHBondContact O-N 2.91Å
68T43Very low46.7Very low135 Ų135151.4 Ų151.483%0.82876%0.759SS**  trans-56.593.4149-9.70000104.3K66 S70K66-T68 VanDerWaalsContact C-N 3.26Å; K66-T68 PolarHBondContact O-N 2.79Å; K66-T68 VanDerWaalsContact O-N 3.14Å; T68-S70 PolarHBondContact O-N 2.6Å
69I42.6Very low49.8Very low137 Ų137143.5 Ų143.570%0.70372%0.723SS**  trans-68.198.9159.6-65.7168.1000101.8R67 E71R67-I69 HydrophobicContact CB-CG1 4.37Å; R67-I69 PolarHBondContact O-N 2.91Å; I69-E71 PolarHBondContact O-N 2.89Å
70S42.2Very low52.8Low101 Ų101140.2 Ų140.271%0.70669%0.694SS**  trans-51.1106.5149.846.30000104.8T68T68-S70 PolarHBondContact O-N 2.6Å
71E44.8Very low55.8Low162 Ų162130.8 Ų130.876%0.75765%0.653SS**  trans-44.1127.8159.2-97175142.600106.1I69 E73I69-E71 PolarHBondContact O-N 2.89Å; E71-E73 PolarHBondContact O-N 2.63Å
72P43.6Very low58.3Low115 Ų115127.2 Ų127.275%0.74762%0.624SS**  trans-62.5100.1162.926-27.1000105.4I74P72-I74 PolarHBondContact O-N 2.77Å
73E45Very low61Low177 Ų177116 Ų11683%0.82758%0.581SS**SBendtrans-52.4131.2165.7-69.1-174.4151.900107.6E71E71-E73 PolarHBondContact O-N 2.63Å
74I50.8Low63.6Low138 Ų138110.4 Ų110.471%0.70855%0.553SS**  trans75.476.7176-39.8170.6000113.8P72 D76P72-I74 PolarHBondContact O-N 2.77Å; I74-D76 VanDerWaalsContact C-N 3.29Å; I74-D76 WeakPolarHBondContact CG2-OD1 3.37Å; I74-D76 PolarHBondContact O-N 2.74Å
75S49.2Very low66.4Low109 Ų10999.6 Ų99.676%0.76251%0.512SS*.  trans-68.597.4149.6-164.10000106.3S77S75-S77 VanDerWaalsContact C-N 3.31Å; S75-S77 PolarHBondContact O-N 2.96Å
76D60.9Low69Low143 Ų14389.9 Ų89.977%0.76548%0.477SS*.  trans-48.9100.3172.4-79.4-35.5000108.1I74 V78I74-D76 VanDerWaalsContact C-N 3.29Å; I74-D76 WeakPolarHBondContact CG2-OD1 3.37Å; I74-D76 PolarHBondContact O-N 2.74Å; D76-V78 PolarHBondContact O-N 3.27Å; D76-V78 VanDerWaalsContact O-N 3.07Å
77S77.9Confident71.6Confident58 Ų5886.7 Ų86.741%0.40647%0.469SS..  trans-71.8114.6-168.560.20000108.5S75 S79 R112S75-S77 VanDerWaalsContact C-N 3.31Å; S75-S77 PolarHBondContact O-N 2.96Å; S77-S79 PolarHBondContact O-N 3.41Å; S77-R112 VanDerWaalsContact CB-CZ 3.48Å
78V88.6Confident74.5Confident70 Ų7081.1 Ų81.142%0.42446%0.464SS..  trans-48.3117.4172168.80000109.1D76 F220 K221D76-V78 PolarHBondContact O-N 3.27Å; D76-V78 VanDerWaalsContact O-N 3.07Å; V78-F220 HydrophobicContact CG1-CB 3.91Å; V78-F220 HydrophobicContact CG1-CD2 3.89Å; V78-F220 HydrophobicContact CG1-CG 4.27Å; V78-K221 WeakPolarHBondContact CG1-O 3.24Å
79S95.4Very high77Confident12 Ų1279.6 Ų79.68%0.08444%0.443CS..  trans-75.4129.2177.7-171.30000109S77 R112 G113 S114 S115 F220 K221S77-S79 PolarHBondContact O-N 3.41Å; S79-R112 CarbonylContact C-O 3.46Å; S79-R112 WeakPolarHBondContact CA-O 3.3Å; S79-R112 WeakPolarHBondContact CB-O 3.41Å; S79-R112 PolarHBondContact OG-O 3.3Å; S79-G113 WeakPolarHBondContact OG-CA 3.4Å; S79-S114 PolarHBondContact OG-N 2.75Å; S79-S115 WeakPolarHBondContact CB-OG 3.36Å; S79-S115 PolarHBondContact OG-N 2.92Å; S79-S115 PolarHBondContact OG-OG 2.86Å; S79-S115 VanDerWaalsContact OG-OG 3.09Å; S79-F220 CarbonylContact O-C 3.57Å; S79-F220 VanDerWaalsContact O-CA 3.23Å; S79-F220 WeakPolarHBondContact O-CA 3.49Å; S79-F220 WeakPolarHBondContact O-CB 3.48Å; S79-K221 PolarHBondContact O-N 2.97Å
80C96.4Very high79.6Confident21 Ų2181.8 Ų81.814%0.14245%0.448CS..EExtended strand (participates in β ladder)trans-142.9152.9-177.268.40000111.8R112 A219 F220C80-R112 PolarHBondContact N-O 3.23Å; C80-R112 PolarHBondContact O-N 3.2Å; C80-A219 CarbonylContact C-O 3.57Å; C80-A219 VanDerWaalsContact CA-O 3.3Å; C80-A219 WeakPolarHBondContact CA-O 3.48Å; C80-F220 HydrophobicContact CB-CB 3.49Å; C80-F220 VanDerWaalsContact CB-CB 3.49Å
81L98.2Very high82.2Confident0 Ų079.5 Ų79.50%043%0.43CS..EExtended strand (participates in β ladder)trans-141.8133174.2-179.468000108.5T108 L110 R111 L116 A117 I123 G218 A219L81-T108 HydrophobicContact CD1-CG2 4.04Å; L81-L110 CarbonylContact C-O 3.54Å; L81-L110 WeakPolarHBondContact CA-O 3.49Å; L81-R111 HydrophobicContact CD1-CB 3.83Å; L81-R111 HydrophobicContact CD1-CG 3.9Å; L81-L116 HydrophobicContact CB-CB 3.75Å; L81-L116 HydrophobicContact CB-CD1 3.94Å; L81-L116 HydrophobicContact CD2-CB 4.04Å; L81-A117 WeakPolarHBondContact CD2-O 3.43Å; L81-I123 HydrophobicContact CD2-CB 4.3Å; L81-I123 HydrophobicContact CD2-CD1 4.43Å; L81-I123 HydrophobicContact CD2-CG1 3.91Å; L81-I123 HydrophobicContact CD2-CG2 3.9Å; L81-G218 CarbonylContact O-C 3.53Å; L81-G218 WeakPolarHBondContact O-CA 3.39Å; L81-A219 PolarHBondContact N-O 3.08Å; L81-A219 PolarHBondContact O-N 3.03Å
82Q98.3Very high84.7Confident43 Ų4374.6 Ų74.620%0.20141%0.407CS..EExtended strand (participates in β ladder)trans-128.1128.1174.5-168.4-179.86.200109.3L84 G109 L110 Y134Q82-L84 HydrophobicContact CG-CD2 4Å; Q82-G109 PolarHBondContact O-N 3.3Å; Q82-L110 HydrophobicContact CB-CB 3.99Å; Q82-L110 PolarHBondContact N-O 3Å; Q82-L110 PolarHBondContact O-N 3.28Å; Q82-Y134 HydrophobicContact CG-CE2 4.46Å
83L98.6Very high87.2Confident0 Ų077 Ų770%041%0.405CS..EExtended strand (participates in β ladder)trans-99.9134171.5-60.9-174.1000109W106 Q107 T118 I123 F216 L217L83-W106 HydrophobicContact CB-CB 3.99Å; L83-W106 HydrophobicContact CB-CD2 3.97Å; L83-W106 HydrophobicContact CB-CE3 3.95Å; L83-W106 HydrophobicContact CB-CG 3.98Å; L83-W106 HydrophobicContact CD1-CB 3.92Å; L83-W106 HydrophobicContact CD1-CD2 4.41Å; L83-W106 HydrophobicContact CD1-CG 3.81Å; L83-W106 HydrophobicContact CD2-CB 4.49Å; L83-W106 HydrophobicContact CG-CB 4.35Å; L83-W106 HydrophobicContact CG-CG 4.48Å; L83-Q107 WeakPolarHBondContact CA-O 3.37Å; L83-T118 HydrophobicContact CD2-CG2 3.77Å; L83-I123 HydrophobicContact CD1-CD1 4.27Å; L83-I123 HydrophobicContact CD1-CG1 3.62Å; L83-I123 HydrophobicContact CG-CD1 4.27Å; L83-I123 HydrophobicContact CG-CG1 3.98Å; L83-F216 CarbonylContact O-C 3.48Å; L83-F216 VanDerWaalsContact O-CA 3.24Å; L83-F216 WeakPolarHBondContact O-CA 3.29Å; L83-F216 VanDerWaalsContact O-CB 3.26Å; L83-F216 WeakPolarHBondContact O-CB 3.5Å; L83-L217 WeakPolarHBondContact CA-O 3.49Å; L83-L217 HydrophobicContact CB-CB 4.46Å; L83-L217 WeakPolarHBondContact CB-O 3.42Å; L83-L217 HydrophobicContact CD1-CD2 4.48Å; L83-L217 PolarHBondContact N-O 3.45Å; L83-L217 PolarHBondContact O-N 2.86Å
84L98.6Very high89.6Confident40 Ų4071.3 Ų71.321%0.20938%0.378CS..EExtended strand (participates in β ladder)trans-112.8145.5176.4-52-179.8000108.1Q82 W106 Q107 G212 F216Q82-L84 HydrophobicContact CG-CD2 4Å; L84-W106 VanDerWaalsContact C-CE3 3.48Å; L84-Q107 HydrophobicContact CB-CG 4.34Å; L84-Q107 PolarHBondContact N-O 3.02Å; L84-Q107 WeakPolarHBondContact O-CG 3.25Å; L84-Q107 PolarHBondContact O-N 2.83Å; L84-G212 WeakPolarHBondContact CD2-O 3.37Å; L84-F216 HydrophobicContact CD2-CB 3.91Å
85A98.3Very high91.7Very high2 Ų271.4 Ų71.42%0.01738%0.375CS..EExtended strand (participates in β ladder)trans-58.4143.1176.600000110.9I104 W106 L210 T215A85-I104 HydrophobicContact CB-CG2 4.14Å; A85-W106 HydrophobicContact CB-CZ3 4.23Å; A85-L210 CarbonylContact C-O 3.56Å; A85-L210 HydrophobicContact CB-CB 4.26Å; A85-L210 HydrophobicContact CB-CD2 4.16Å; A85-L210 WeakPolarHBondContact CB-O 3.43Å; A85-T215 HydrophobicContact CB-CG2 3.86Å; A85-T215 WeakPolarHBondContact CB-O 3.45Å; A85-T215 PolarHBondContact N-O 3.46Å
86N97.6Very high93.7Very high22 Ų2267.1 Ų67.112%0.11834%0.344CS..  trans-107.498.9-179.1-175.3-18.8000110.2S88 R89 P105 Q107N86-S88 PolarHBondContact O-N 2.84Å; N86-S88 VanDerWaalsContact O-N 3.16Å; N86-S88 WeakPolarHBondContact OD1-CA 3.3Å; N86-S88 VanDerWaalsContact OD1-CB 3.24Å; N86-S88 WeakPolarHBondContact OD1-CB 3.37Å; N86-S88 PolarHBondContact OD1-N 2.89Å; N86-R89 WeakPolarHBondContact ND2-CD 3.27Å; N86-R89 PolarHBondContact O-N 2.9Å; N86-R89 VanDerWaalsContact O-N 3.12Å; N86-P105 HydrophobicContact CB-CB 4.49Å; N86-P105 WeakPolarHBondContact CB-O 3.47Å; N86-P105 PolarHBondContact N-O 2.98Å; N86-Q107 HydrophobicContact CB-CB 4.12Å; N86-Q107 HydrophobicContact CB-CG 4.12Å
87N96.6Very high95Very high113 Ų11366 Ų6660%0.60435%0.347SS*.THydrogen-bonded Turntrans-65.6-11178.366.53000114.9R89 L210N87-R89 VanDerWaalsContact C-N 3.31Å; N87-L210 HydrophobicContact CB-CB 3.99Å; N87-L210 PolarHBondContact N-O 2.93Å
88S96.9Very high95.5Very high106 Ų10666.7 Ų66.774%0.74135%0.352SS*.THydrogen-bonded Turntrans-82.8-11.7175.1-56.40000112.5N86N86-S88 PolarHBondContact O-N 2.84Å; N86-S88 VanDerWaalsContact O-N 3.16Å; N86-S88 WeakPolarHBondContact OD1-CA 3.3Å; N86-S88 VanDerWaalsContact OD1-CB 3.24Å; N86-S88 WeakPolarHBondContact OD1-CB 3.37Å; N86-S88 PolarHBondContact OD1-N 2.89Å
89R97.3Very high95.7Very high102 Ų10264.1 Ų64.139%0.38534%0.34SS..SBendtrans-116.2153.7179.4-68.3172.266.3-151.1-4.5109.6N86 N87 P105 W106 D121 L210N86-R89 WeakPolarHBondContact ND2-CD 3.27Å; N86-R89 PolarHBondContact O-N 2.9Å; N86-R89 VanDerWaalsContact O-N 3.12Å; N87-R89 VanDerWaalsContact C-N 3.31Å; R89-P105 HydrophobicContact CB-CB 3.48Å; R89-P105 VanDerWaalsContact CB-CB 3.48Å; R89-P105 HydrophobicContact CB-CG 3.79Å; R89-P105 HydrophobicContact CG-CB 4.43Å; R89-W106 PolarHBondContact NH1-O 2.76Å; R89-D121 IonicContact CZ-OD1 2.6Å; R89-D121 IonicContact CZ-OD2 3.5Å; R89-D121 IonicContact NH1-OD1 3.07Å; R89-D121 PolarHBondContact NH1-OD1 2.92Å; R89-D121 IonicContact NH1-OD2 2.74Å; R89-D121 IonicContact NH2-OD1 2.63Å; R89-D121 PolarHBondContact NH2-OD1 2.84Å; R89-D121 IonicContact NH2-OD2 3.4Å; R89-D121 PolarHBondContact NH2-OD2 2.95Å; R89-L210 WeakPolarHBondContact O-CD1 3.44Å
90K95.8Very high95.7Very high184 Ų18466.4 Ų66.480%0.835%0.354SS*.  trans-90.2150.1176-66-175.2179.8-178.70110.8
91P97.1Very high95.8Very high52 Ų5266.1 Ų66.134%0.33835%0.351SS..  trans-54.1141.7165.7-21.334.2000110.8I102 G103 L210P91-I102 HydrophobicContact CB-CG2 3.59Å; P91-G103 WeakPolarHBondContact CA-O 3.19Å; P91-L210 HydrophobicContact CG-CD1 4.32Å; P91-L210 HydrophobicContact CG-CD2 4.48Å
92F96.8Very high95.8Very high60 Ų6066.5 Ų66.526%0.26335%0.352SS..EExtended strand (participates in β ladder)trans-112.7150.7-177.261.5-89.8000110.6I102 G103 D121F92-I102 CarbonylContact O-C 3.55Å; F92-I102 WeakPolarHBondContact O-CA 3.23Å; F92-G103 WeakPolarHBondContact CD1-O 3.47Å; F92-G103 PolarHBondContact N-O 2.79Å; F92-G103 VanDerWaalsContact N-O 3.08Å; F92-G103 PolarHBondContact O-N 2.97Å; F92-D121 HydrophobicContact CE1-CB 3.89Å; F92-D121 WeakPolarHBondContact CE1-OD2 3.4Å; F92-D121 HydrophobicContact CZ-CB 3.93Å
93K97.2Very high95.7Very high165 Ų16564.5 Ų64.572%0.71734%0.343SS*.EExtended strand (participates in β ladder)trans-86.8141.1176.1-64.9-177.5176.6-176.70109.7Y101 I102K93-Y101 WeakPolarHBondContact CA-O 3.44Å; K93-I102 HydrophobicContact CG-CD1 3.77Å
94K95.4Very high95.7Very high58 Ų5864.6 Ų64.625%0.25234%0.344SS..EExtended strand (participates in β ladder)trans-135.7126.5174.6-165177.3-178.5169.60109L96 Y101 E198 L200K94-L96 HydrophobicContact CB-CD1 4.34Å; K94-L96 HydrophobicContact CD-CD1 3.87Å; K94-L96 HydrophobicContact CG-CD1 3.74Å; K94-Y101 PolarHBondContact N-O 3.17Å; K94-Y101 WeakPolarHBondContact O-CA 3.5Å; K94-Y101 WeakPolarHBondContact O-CB 3.5Å; K94-Y101 PolarHBondContact O-N 3.08Å; K94-E198 IonicContact NZ-OE1 2.77Å; K94-E198 PolarHBondContact NZ-OE1 3.01Å; K94-E198 IonicContact NZ-OE2 3.6Å; K94-E198 PolarHBondContact NZ-OE2 3.49Å; K94-L200 HydrophobicContact CD-CD1 3.95Å; K94-L200 HydrophobicContact CD-CD2 4.1Å
95E94.8Very high95.7Very high139 Ų13962.7 Ų62.765%0.6533%0.334SS*.EExtended strand (participates in β ladder)trans-96.2123.4177.4-158.266.5-141.700108.8G99E95-G99 VanDerWaalsContact OE1-C 3.23Å
96L91.6Very high95.7Very high19 Ų1963 Ų6310%0.09934%0.335CS..EExtended strand (participates in β ladder)trans-114166.8171.5-82.874.8000108.8K94 S98 G99 Y101 I151 W153 L200K94-L96 HydrophobicContact CB-CD1 4.34Å; K94-L96 HydrophobicContact CD-CD1 3.87Å; K94-L96 HydrophobicContact CG-CD1 3.74Å; L96-S98 PolarHBondContact O-N 2.87Å; L96-S98 VanDerWaalsContact O-N 3.12Å; L96-G99 PolarHBondContact N-O 2.91Å; L96-G99 PolarHBondContact O-N 2.83Å; L96-Y101 HydrophobicContact CB-CD2 3.99Å; L96-Y101 HydrophobicContact CB-CE2 3.82Å; L96-Y101 HydrophobicContact CD1-CD2 3.83Å; L96-Y101 HydrophobicContact CD1-CE2 4.37Å; L96-Y101 HydrophobicContact CD1-CG 4.33Å; L96-Y101 HydrophobicContact CD2-CD2 4.44Å; L96-Y101 HydrophobicContact CD2-CE2 4.22Å; L96-Y101 HydrophobicContact CG-CD2 4.3Å; L96-Y101 HydrophobicContact CG-CE2 4.36Å; L96-I151 HydrophobicContact CD2-CD1 4.09Å; L96-W153 HydrophobicContact CD2-CH2 3.73Å; L96-W153 HydrophobicContact CD2-CZ2 3.99Å; L96-W153 HydrophobicContact CG-CH2 4.06Å; L96-L200 HydrophobicContact CD1-CD1 3.8Å; L96-L200 HydrophobicContact CD2-CD1 4.27Å
97S88Confident95.7Very high120 Ų12066 Ų6684%0.83935%0.348SS*.THydrogen-bonded Turntrans-55.1-28.9174.155.30000113.1G99S97-G99 VanDerWaalsContact C-N 3.35Å
98S88.1Confident95.7Very high72 Ų7264.2 Ų64.250%0.50334%0.341SS..THydrogen-bonded Turntrans-83.7-3.1177.654.40000114.6L96 Y101L96-S98 PolarHBondContact O-N 2.87Å; L96-S98 VanDerWaalsContact O-N 3.12Å; S98-Y101 WeakPolarHBondContact OG-CE2 3.4Å; S98-Y101 PolarHBondContact OG-OH 2.8Å
99G92.3Very high95.7Very high17 Ų1761.2 Ų61.218%0.17533%0.327CS..EExtended strand (participates in β ladder)trans123.4-164.7175.900000114.1E95 L96 S97 Y101E95-G99 VanDerWaalsContact OE1-C 3.23Å; L96-G99 PolarHBondContact N-O 2.91Å; L96-G99 PolarHBondContact O-N 2.83Å; S97-G99 VanDerWaalsContact C-N 3.35Å; G99-Y101 WeakPolarHBondContact O-CD2 3.4Å; G99-Y101 WeakPolarHBondContact O-CE2 3.42Å
100P96.1Very high95.6Very high60 Ų6060.6 Ų60.639%0.3933%0.331SS..EExtended strand (participates in β ladder)trans-82.2136.7-17631.4-35000112R203P100-R203 CarbonylContact O-C 3.48Å; P100-R203 PolarHBondContact O-N 3.4Å
101Y97.5Very high95.6Very high15 Ų1558.9 Ų58.96%0.05932%0.319CS..EExtended strand (participates in β ladder)trans-124.4155.8176-69.8-103.2000111.6K93 K94 L96 S98 G99 V149 L200 I201 P202 R203K93-Y101 WeakPolarHBondContact CA-O 3.44Å; K94-Y101 PolarHBondContact N-O 3.17Å; K94-Y101 WeakPolarHBondContact O-CA 3.5Å; K94-Y101 WeakPolarHBondContact O-CB 3.5Å; K94-Y101 PolarHBondContact O-N 3.08Å; L96-Y101 HydrophobicContact CB-CD2 3.99Å; L96-Y101 HydrophobicContact CB-CE2 3.82Å; L96-Y101 HydrophobicContact CD1-CD2 3.83Å; L96-Y101 HydrophobicContact CD1-CE2 4.37Å; L96-Y101 HydrophobicContact CD1-CG 4.33Å; L96-Y101 HydrophobicContact CD2-CD2 4.44Å; L96-Y101 HydrophobicContact CD2-CE2 4.22Å; L96-Y101 HydrophobicContact CG-CD2 4.3Å; L96-Y101 HydrophobicContact CG-CE2 4.36Å; S98-Y101 WeakPolarHBondContact OG-CE2 3.4Å; S98-Y101 PolarHBondContact OG-OH 2.8Å; G99-Y101 WeakPolarHBondContact O-CD2 3.4Å; G99-Y101 WeakPolarHBondContact O-CE2 3.42Å; Y101-V149 HydrophobicContact CE1-CG2 4Å; Y101-L200 HydrophobicContact CD1-CB 3.56Å; Y101-L200 HydrophobicContact CD1-CD1 4.16Å; Y101-L200 HydrophobicContact CE1-CB 4.39Å; Y101-L200 HydrophobicContact CG-CB 4.15Å; Y101-L200 HydrophobicContact CG-CD1 4.14Å; Y101-I201 CarbonylContact C-O 3.58Å; Y101-I201 VanDerWaalsContact CA-O 3.27Å; Y101-I201 WeakPolarHBondContact CA-O 3.28Å; Y101-P202 HydrophobicContact CD1-CB 3.97Å; Y101-P202 HydrophobicContact CE1-CB 3.56Å; Y101-R203 CarbonylContact C-O 3.57Å
102I98.1Very high95.6Very high8 Ų862.6 Ų62.64%0.04133%0.326CS..EExtended strand (participates in β ladder)trans-105.2126.6165-63-55.1000109.4P91 F92 K93 I201 R203 A206P91-I102 HydrophobicContact CB-CG2 3.59Å; F92-I102 CarbonylContact O-C 3.55Å; F92-I102 WeakPolarHBondContact O-CA 3.23Å; K93-I102 HydrophobicContact CG-CD1 3.77Å; I102-I201 HydrophobicContact CB-CB 4.28Å; I102-I201 PolarHBondContact N-O 3.31Å; I102-I201 PolarHBondContact O-N 2.8Å; I102-R203 WeakPolarHBondContact CG1-O 3.38Å; I102-R203 PolarHBondContact N-O 3.05Å; I102-A206 HydrophobicContact CB-CB 4.43Å; I102-A206 HydrophobicContact CG1-CB 4.26Å
103G97.6Very high95.5Very high1 Ų161.8 Ų61.81%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-93.9144.2168.400000111.7P91 F92P91-G103 WeakPolarHBondContact CA-O 3.19Å; F92-G103 WeakPolarHBondContact CD1-O 3.47Å; F92-G103 PolarHBondContact N-O 2.79Å; F92-G103 VanDerWaalsContact N-O 3.08Å; F92-G103 PolarHBondContact O-N 2.97Å
104I98.3Very high95.3Very high1 Ų157.3 Ų57.31%0.00532%0.324CS..PPolyproline II helixtrans-93.5129.6178.4-54.1-176.3000108A85 W106 V137 L199 I201 I208 L210 T215A85-I104 HydrophobicContact CB-CG2 4.14Å; I104-W106 HydrophobicContact CB-CD2 4.48Å; I104-W106 HydrophobicContact CB-CH2 3.98Å; I104-W106 HydrophobicContact CB-CZ2 3.58Å; I104-W106 HydrophobicContact CD1-CH2 3.92Å; I104-W106 HydrophobicContact CD1-CZ2 3.98Å; I104-W106 HydrophobicContact CG1-CZ2 4.22Å; I104-W106 HydrophobicContact CG2-CD2 4.28Å; I104-W106 HydrophobicContact CG2-CE3 4.18Å; I104-W106 HydrophobicContact CG2-CH2 3.75Å; I104-W106 HydrophobicContact CG2-CZ2 3.84Å; I104-W106 HydrophobicContact CG2-CZ3 3.91Å; I104-W106 PolarHBondContact O-N 2.84Å; I104-W106 PolarHBondContact O-NE1 3.11Å; I104-V137 HydrophobicContact CD1-CG1 4.22Å; I104-V137 HydrophobicContact CD1-CG2 3.74Å; I104-L199 HydrophobicContact CD1-CD2 3.58Å; I104-L199 HydrophobicContact CG1-CD2 4.15Å; I104-I201 HydrophobicContact CD1-CD1 4.18Å; I104-I201 HydrophobicContact CG1-CD1 4.29Å; I104-I208 HydrophobicContact CD1-CD1 3.68Å; I104-I208 HydrophobicContact CG1-CD1 3.7Å; I104-I208 HydrophobicContact CG2-CD1 4.4Å; I104-L210 HydrophobicContact CG2-CD2 3.99Å; I104-T215 HydrophobicContact CD1-CG2 3.77Å; I104-T215 HydrophobicContact CG2-CG2 4.2Å
105P98Very high95.4Very high0 Ų054.5 Ų54.50%031%0.312CS..PPolyproline II helixtrans-73.9127.917531.4-33.5000109N86 R89 D121 L210N86-P105 HydrophobicContact CB-CB 4.49Å; N86-P105 WeakPolarHBondContact CB-O 3.47Å; N86-P105 PolarHBondContact N-O 2.98Å; R89-P105 HydrophobicContact CB-CB 3.48Å; R89-P105 VanDerWaalsContact CB-CB 3.48Å; R89-P105 HydrophobicContact CB-CG 3.79Å; R89-P105 HydrophobicContact CG-CB 4.43Å; P105-D121 WeakPolarHBondContact CA-OD1 3.28Å; P105-L210 HydrophobicContact CG-CD2 4.4Å
106W98.3Very high95.5Very high10 Ų1048 Ų484%0.03828%0.281CS..EExtended strand (participates in β ladder)trans-104.9158.2-176.5-61.9113.9000112.1L83 L84 A85 R89 I104 D121 L199 T215 L217L83-W106 HydrophobicContact CB-CB 3.99Å; L83-W106 HydrophobicContact CB-CD2 3.97Å; L83-W106 HydrophobicContact CB-CE3 3.95Å; L83-W106 HydrophobicContact CB-CG 3.98Å; L83-W106 HydrophobicContact CD1-CB 3.92Å; L83-W106 HydrophobicContact CD1-CD2 4.41Å; L83-W106 HydrophobicContact CD1-CG 3.81Å; L83-W106 HydrophobicContact CD2-CB 4.49Å; L83-W106 HydrophobicContact CG-CB 4.35Å; L83-W106 HydrophobicContact CG-CG 4.48Å; L84-W106 VanDerWaalsContact C-CE3 3.48Å; A85-W106 HydrophobicContact CB-CZ3 4.23Å; R89-W106 PolarHBondContact NH1-O 2.76Å; I104-W106 HydrophobicContact CB-CD2 4.48Å; I104-W106 HydrophobicContact CB-CH2 3.98Å; I104-W106 HydrophobicContact CB-CZ2 3.58Å; I104-W106 HydrophobicContact CD1-CH2 3.92Å; I104-W106 HydrophobicContact CD1-CZ2 3.98Å; I104-W106 HydrophobicContact CG1-CZ2 4.22Å; I104-W106 HydrophobicContact CG2-CD2 4.28Å; I104-W106 HydrophobicContact CG2-CE3 4.18Å; I104-W106 HydrophobicContact CG2-CH2 3.75Å; I104-W106 HydrophobicContact CG2-CZ2 3.84Å; I104-W106 HydrophobicContact CG2-CZ3 3.91Å; I104-W106 PolarHBondContact O-N 2.84Å; I104-W106 PolarHBondContact O-NE1 3.11Å; W106-D121 PolarHBondContact N-OD1 3.47Å; W106-D121 PolarHBondContact NE1-O 2.86Å; W106-L199 HydrophobicContact CH2-CD1 4.42Å; W106-L199 HydrophobicContact CZ2-CB 4.09Å; W106-L199 HydrophobicContact CZ2-CD1 4.21Å; W106-L199 HydrophobicContact CZ2-CD2 4.35Å; W106-L199 HydrophobicContact CZ2-CG 4.46Å; W106-T215 HydrophobicContact CH2-CG2 3.99Å; W106-T215 HydrophobicContact CZ3-CG2 4.13Å; W106-L217 HydrophobicContact CH2-CB 4.09Å; W106-L217 HydrophobicContact CZ2-CB 3.99Å
107Q97.6Very high95.8Very high85 Ų8547.8 Ų47.840%0.39728%0.283SS..EExtended strand (participates in β ladder)trans-133.8150.7161.661.2-178.72100108.9L83 L84 N86 G109L83-Q107 WeakPolarHBondContact CA-O 3.37Å; L84-Q107 HydrophobicContact CB-CG 4.34Å; L84-Q107 PolarHBondContact N-O 3.02Å; L84-Q107 WeakPolarHBondContact O-CG 3.25Å; L84-Q107 PolarHBondContact O-N 2.83Å; N86-Q107 HydrophobicContact CB-CB 4.12Å; N86-Q107 HydrophobicContact CB-CG 4.12Å; Q107-G109 PolarHBondContact O-N 3.15Å
108T97.6Very high96.2Very high74 Ų7444.2 Ų44.245%0.45426%0.256SS..EExtended strand (participates in β ladder)trans-70.3123.7178.2-53.50000110.1L81 R111 T118L81-T108 HydrophobicContact CD1-CG2 4.04Å; T108-R111 HydrophobicContact CG2-CB 4.17Å; T108-T118 PolarHBondContact OG1-OG1 2.6Å
109G95.8Very high96.6Very high43 Ų4344.9 Ų44.944%0.44326%0.257SS..EExtended strand (participates in β ladder)trans-95.1-74172.200000111.6Q82 Q107Q82-G109 PolarHBondContact O-N 3.3Å; Q107-G109 PolarHBondContact O-N 3.15Å
110L95.5Very high96.7Very high89 Ų8947 Ų4747%0.46628%0.279SS..EExtended strand (participates in β ladder)trans-109.7135.8178.5178.165.8000110L81 Q82L81-L110 CarbonylContact C-O 3.54Å; L81-L110 WeakPolarHBondContact CA-O 3.49Å; Q82-L110 HydrophobicContact CB-CB 3.99Å; Q82-L110 PolarHBondContact N-O 3Å; Q82-L110 PolarHBondContact O-N 3.28Å
111R96.5Very high96.8Very high149 Ų14945.2 Ų45.256%0.56227%0.266SS*.EExtended strand (participates in β ladder)trans-140.9129.2170.9-178.5176.6176.5-167.5-1.9110.4L81 T108L81-R111 HydrophobicContact CD1-CB 3.83Å; L81-R111 HydrophobicContact CD1-CG 3.9Å; T108-R111 HydrophobicContact CG2-CB 4.17Å
112R96.4Very high96.8Very high130 Ų13045.3 Ų45.349%0.49127%0.268SS..EExtended strand (participates in β ladder)trans-141.7132.1176.8-168.8178.7-177.3-170.8-4.4110.4S77 S79 C80S77-R112 VanDerWaalsContact CB-CZ 3.48Å; S79-R112 CarbonylContact C-O 3.46Å; S79-R112 WeakPolarHBondContact CA-O 3.3Å; S79-R112 WeakPolarHBondContact CB-O 3.41Å; S79-R112 PolarHBondContact OG-O 3.3Å; C80-R112 PolarHBondContact N-O 3.23Å; C80-R112 PolarHBondContact O-N 3.2Å
113G94.1Very high96.8Very high42 Ų4244.9 Ų44.943%0.43327%0.267SS..SBendtrans75.9-173.3-178.900000114.3S79S79-G113 WeakPolarHBondContact OG-CA 3.4Å
114S94.5Very high96.8Very high71 Ų7145.6 Ų45.650%0.49727%0.27SS..SBendtrans-109.6-9.4-172.448.20000114.7S79 L116 N126 E127S79-S114 PolarHBondContact OG-N 2.75Å; S114-L116 PolarHBondContact O-N 3.14Å; S114-N126 WeakPolarHBondContact O-CB 3.26Å; S114-N126 PolarHBondContact O-ND2 2.79Å; S114-E127 PolarHBondContact OG-OE1 2.87Å
115S96.4Very high96.8Very high0 Ų045.5 Ų45.50%027%0.27CS..SBendtrans-73.3-17.3-168.786.60000113.3S79 N126 E127 Y131S79-S115 WeakPolarHBondContact CB-OG 3.36Å; S79-S115 PolarHBondContact OG-N 2.92Å; S79-S115 PolarHBondContact OG-OG 2.86Å; S79-S115 VanDerWaalsContact OG-OG 3.09Å; S115-N126 PolarHBondContact O-N 3.23Å; S115-E127 PolarHBondContact O-N 2.94Å; S115-Y131 WeakPolarHBondContact CB-OH 3.49Å; S115-Y131 PolarHBondContact O-OH 2.89Å; S115-Y131 PolarHBondContact OG-OH 2.83Å
116L97.6Very high96.8Very high1 Ų148.8 Ų48.81%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-130.5142.1179.6-62.3168.3000110.6L81 S114 I123 V124 V125 Y131 A219L81-L116 HydrophobicContact CB-CB 3.75Å; L81-L116 HydrophobicContact CB-CD1 3.94Å; L81-L116 HydrophobicContact CD2-CB 4.04Å; S114-L116 PolarHBondContact O-N 3.14Å; L116-I123 HydrophobicContact CB-CG2 4.38Å; L116-I123 HydrophobicContact CD2-CG2 3.81Å; L116-V124 WeakPolarHBondContact CA-O 3.47Å; L116-V125 HydrophobicContact CD2-CG2 4.09Å; L116-Y131 HydrophobicContact CD1-CD1 4.15Å; L116-Y131 HydrophobicContact CD1-CE1 4Å; L116-Y131 HydrophobicContact CD2-CD1 4.01Å; L116-Y131 HydrophobicContact CD2-CE1 3.58Å; L116-Y131 HydrophobicContact CG-CD1 4.35Å; L116-Y131 HydrophobicContact CG-CE1 3.78Å; L116-A219 HydrophobicContact CD1-CB 3.81Å; L116-A219 VanDerWaalsContact CD1-O 3.27Å; L116-A219 WeakPolarHBondContact CD1-O 3.47Å
117A97.4Very high96.7Very high16 Ų1651.5 Ų51.513%0.13230%0.301CS..EExtended strand (participates in β ladder)trans-132.7161.6174.500000111.3L81 I123 V124L81-A117 WeakPolarHBondContact CD2-O 3.43Å; A117-I123 CarbonylContact O-C 3.56Å; A117-I123 WeakPolarHBondContact O-CA 3.07Å; A117-V124 PolarHBondContact N-O 2.8Å; A117-V124 PolarHBondContact O-N 2.91Å
118T97Very high96.7Very high44 Ų4450.8 Ų50.827%0.2730%0.303SS..EExtended strand (participates in β ladder)trans-102.6127172-51.60000108.8L83 T108L83-T118 HydrophobicContact CD2-CG2 3.77Å; T108-T118 PolarHBondContact OG1-OG1 2.6Å
119V96.2Very high96.6Very high87 Ų8748 Ų4853%0.52729%0.29SS..EExtended strand (participates in β ladder)trans-133111.8172.5-179.90000108.2D121 C122 V124V119-D121 PolarHBondContact O-N 2.87Å; V119-C122 PolarHBondContact N-O 2.87Å; V119-C122 PolarHBondContact O-N 3.01Å; V119-V124 HydrophobicContact CB-CG2 3.63Å; V119-V124 HydrophobicContact CG2-CB 4.29Å; V119-V124 HydrophobicContact CG2-CG2 3.54Å
120G94.6Very high96.7Very high62 Ų6251.6 Ų51.664%0.63929%0.293SS*.THydrogen-bonded Turntrans60.7-129.7-170.500000111C122G120-C122 VanDerWaalsContact C-N 3.34Å
121D96.9Very high96.9Very high21 Ų2147.3 Ų47.311%0.11227%0.271CS..THydrogen-bonded Turntrans-99.227.8177.9-66.6-57.3000112.2R89 F92 P105 W106 V119R89-D121 IonicContact CZ-OD1 2.6Å; R89-D121 IonicContact CZ-OD2 3.5Å; R89-D121 IonicContact NH1-OD1 3.07Å; R89-D121 PolarHBondContact NH1-OD1 2.92Å; R89-D121 IonicContact NH1-OD2 2.74Å; R89-D121 IonicContact NH2-OD1 2.63Å; R89-D121 PolarHBondContact NH2-OD1 2.84Å; R89-D121 IonicContact NH2-OD2 3.4Å; R89-D121 PolarHBondContact NH2-OD2 2.95Å; F92-D121 HydrophobicContact CE1-CB 3.89Å; F92-D121 WeakPolarHBondContact CE1-OD2 3.4Å; F92-D121 HydrophobicContact CZ-CB 3.93Å; P105-D121 WeakPolarHBondContact CA-OD1 3.28Å; W106-D121 PolarHBondContact N-OD1 3.47Å; W106-D121 PolarHBondContact NE1-O 2.86Å; V119-D121 PolarHBondContact O-N 2.87Å
122C97.5Very high97Very high17 Ų1742.7 Ų42.712%0.11526%0.255CS..EExtended strand (participates in β ladder)trans-127.2154.1-180-56.10000112.3V119 G120 K196 L197V119-C122 PolarHBondContact N-O 2.87Å; V119-C122 PolarHBondContact O-N 3.01Å; G120-C122 VanDerWaalsContact C-N 3.34Å; C122-K196 HydrophobicContact CB-CB 4.42Å; C122-L197 WeakPolarHBondContact CA-O 3.16Å; C122-L197 WeakPolarHBondContact CB-O 3.44Å
123I98.4Very high97.1Very high0 Ų036.5 Ų36.50%023%0.232CC..EExtended strand (participates in β ladder)trans-91130.1164.7-62.9176.8000108.1L81 L83 L116 A117 K196 L197 L217 A219L81-I123 HydrophobicContact CD2-CB 4.3Å; L81-I123 HydrophobicContact CD2-CD1 4.43Å; L81-I123 HydrophobicContact CD2-CG1 3.91Å; L81-I123 HydrophobicContact CD2-CG2 3.9Å; L83-I123 HydrophobicContact CD1-CD1 4.27Å; L83-I123 HydrophobicContact CD1-CG1 3.62Å; L83-I123 HydrophobicContact CG-CD1 4.27Å; L83-I123 HydrophobicContact CG-CG1 3.98Å; L116-I123 HydrophobicContact CB-CG2 4.38Å; L116-I123 HydrophobicContact CD2-CG2 3.81Å; A117-I123 CarbonylContact O-C 3.56Å; A117-I123 WeakPolarHBondContact O-CA 3.07Å; I123-K196 CarbonylContact O-C 3.44Å; I123-K196 VanDerWaalsContact O-CA 3.25Å; I123-K196 WeakPolarHBondContact O-CA 3.47Å; I123-L197 HydrophobicContact CB-CB 4.21Å; I123-L197 HydrophobicContact CG2-CD1 4.43Å; I123-L197 PolarHBondContact N-O 2.88Å; I123-L197 PolarHBondContact O-N 2.81Å; I123-L217 HydrophobicContact CD1-CD2 4.22Å; I123-L217 HydrophobicContact CD1-CG 4.02Å; I123-A219 HydrophobicContact CD1-CB 4.45Å
124V98.3Very high97.3Very high15 Ų1536.2 Ų36.29%0.09122%0.218CC..EExtended strand (participates in β ladder)trans-110.3135.7176.5-176.40000109.8L116 A117 V119 D195 K196L116-V124 WeakPolarHBondContact CA-O 3.47Å; A117-V124 PolarHBondContact N-O 2.8Å; A117-V124 PolarHBondContact O-N 2.91Å; V119-V124 HydrophobicContact CB-CG2 3.63Å; V119-V124 HydrophobicContact CG2-CB 4.29Å; V119-V124 HydrophobicContact CG2-CG2 3.54Å; V124-D195 WeakPolarHBondContact CA-O 3.41Å; V124-K196 HydrophobicContact CG2-CG 4.16Å
125V98.2Very high97.5Very high0 Ų032.9 Ų32.90%019%0.194CC..EExtended strand (participates in β ladder)trans-89.3119.1179.7-178.60000109.6L116 E127 Y131 L191 E192 E194 D195L116-V125 HydrophobicContact CD2-CG2 4.09Å; V125-E127 WeakPolarHBondContact CG1-O 3.24Å; V125-Y131 HydrophobicContact CG1-CE2 3.94Å; V125-L191 HydrophobicContact CG1-CB 4.19Å; V125-L191 HydrophobicContact CG2-CB 3.91Å; V125-L191 HydrophobicContact CG2-CD1 3.67Å; V125-L191 HydrophobicContact CG2-CG 4.37Å; V125-E192 WeakPolarHBondContact CB-O 3.13Å; V125-E192 WeakPolarHBondContact CG1-O 3.05Å; V125-E194 WeakPolarHBondContact O-CA 3.46Å; V125-E194 PolarHBondContact O-N 3.14Å; V125-D195 HydrophobicContact CB-CB 4.44Å; V125-D195 HydrophobicContact CG2-CB 4.33Å; V125-D195 PolarHBondContact N-O 2.79Å
126N97.6Very high97.6Very high68 Ų6834.7 Ų34.736%0.36420%0.203SC..SBendtrans-93.2-28.1178.1-66.9-22.7000112.5S114 S115 K193S114-N126 WeakPolarHBondContact O-CB 3.26Å; S114-N126 PolarHBondContact O-ND2 2.79Å; S115-N126 PolarHBondContact O-N 3.23Å; N126-K193 WeakPolarHBondContact O-CG 3.38Å
127E96.8Very high97.6Very high67 Ų6734.6 Ų34.631%0.31320%0.203SC..SBendtrans-125.8131-179.5-63.3169.7-157.300109.8S114 S115 V125 Y131 K221S114-E127 PolarHBondContact OG-OE1 2.87Å; S115-E127 PolarHBondContact O-N 2.94Å; V125-E127 WeakPolarHBondContact CG1-O 3.24Å; E127-Y131 PolarHBondContact O-OH 3.12Å; E127-K221 IonicContact OE2-NZ 2.75Å; E127-K221 PolarHBondContact OE2-NZ 3.42Å
128P97.2Very high97.7Very high70 Ų7036.7 Ų36.746%0.45521%0.207SC..  trans-66.7152.3177.331-34.6000110.5L191P128-L191 WeakPolarHBondContact CA-O 3.24Å
129G96.6Very high97.7Very high17 Ų1734.6 Ų34.618%0.17520%0.195CC..EExtended strand (participates in β ladder)trans162.9-173.7178.500000113.6Y131 K190 L191G129-Y131 WeakPolarHBondContact O-CD2 3.42Å; G129-K190 WeakPolarHBondContact O-CA 3.46Å; G129-L191 PolarHBondContact N-O 3.49Å; G129-L191 PolarHBondContact O-N 3.05Å
130F97.8Very high97.8Very high117 Ų11733.2 Ų33.251%0.51318%0.183SC..EExtended strand (participates in β ladder)trans-89.5135.1169.3-69.5-86.3000109.6I188 V189 K190 L222F130-I188 HydrophobicContact CB-CG2 4.29Å; F130-I188 HydrophobicContact CD1-CG2 4.17Å; F130-V189 WeakPolarHBondContact CA-O 3.41Å; F130-K190 HydrophobicContact CD1-CB 4.01Å; F130-K190 HydrophobicContact CE1-CB 3.78Å; F130-K190 HydrophobicContact CE1-CG 4.24Å; F130-K190 HydrophobicContact CZ-CB 4.35Å; F130-K190 HydrophobicContact CZ-CD 4.39Å; F130-K190 HydrophobicContact CZ-CG 4.34Å; F130-L222 HydrophobicContact CB-CB 4.22Å; F130-L222 HydrophobicContact CB-CD1 4.05Å; F130-L222 HydrophobicContact CB-CG 4.42Å; F130-L222 PolarHBondContact O-N 3.28Å
131Y98.3Very high97.8Very high0 Ų031.2 Ų31.20%016%0.158CC..EExtended strand (participates in β ladder)trans-128.1136.2-178.7-71.2-94.2000109.4S115 L116 V125 E127 G129 I188 V189 L191 F220 K221S115-Y131 WeakPolarHBondContact CB-OH 3.49Å; S115-Y131 PolarHBondContact O-OH 2.89Å; S115-Y131 PolarHBondContact OG-OH 2.83Å; L116-Y131 HydrophobicContact CD1-CD1 4.15Å; L116-Y131 HydrophobicContact CD1-CE1 4Å; L116-Y131 HydrophobicContact CD2-CD1 4.01Å; L116-Y131 HydrophobicContact CD2-CE1 3.58Å; L116-Y131 HydrophobicContact CG-CD1 4.35Å; L116-Y131 HydrophobicContact CG-CE1 3.78Å; V125-Y131 HydrophobicContact CG1-CE2 3.94Å; E127-Y131 PolarHBondContact O-OH 3.12Å; G129-Y131 WeakPolarHBondContact O-CD2 3.42Å; Y131-I188 CarbonylContact O-C 3.58Å; Y131-I188 WeakPolarHBondContact O-CA 3.26Å; Y131-V189 PolarHBondContact N-O 3.06Å; Y131-V189 PolarHBondContact O-N 2.84Å; Y131-L191 HydrophobicContact CD2-CB 3.84Å; Y131-L191 HydrophobicContact CD2-CD1 3.74Å; Y131-L191 HydrophobicContact CD2-CG 3.97Å; Y131-L191 HydrophobicContact CE2-CB 4.17Å; Y131-L191 HydrophobicContact CG-CD1 3.85Å; Y131-L191 HydrophobicContact CG-CG 4.48Å; Y131-F220 CarbonylContact C-O 3.56Å; Y131-F220 VanDerWaalsContact CA-O 3.26Å; Y131-F220 WeakPolarHBondContact CA-O 3.32Å; Y131-K221 HydrophobicContact CD1-CB 3.93Å; Y131-K221 HydrophobicContact CD1-CG 4.35Å; Y131-K221 HydrophobicContact CE1-CB 3.47Å; Y131-K221 VanDerWaalsContact CE1-CB 3.47Å; Y131-K221 HydrophobicContact CE1-CD 4.43Å; Y131-K221 HydrophobicContact CE1-CG 3.76Å; Y131-K221 HydrophobicContact CE2-CG 4.29Å
132F98.3Very high97.7Very high52 Ų5233.9 Ų33.923%0.22818%0.178CC..EExtended strand (participates in β ladder)trans-86.3118.7161.3-174.7-94000108.2Y134 G187 I188 A219 F220 L222F132-Y134 AromaticContact CD1-CD1 3.91Å; F132-Y134 HydrophobicContact CD1-CD1 3.91Å; F132-Y134 HydrophobicContact CE1-CD1 4.01Å; F132-Y134 HydrophobicContact CE1-CG 4.31Å; F132-G187 WeakPolarHBondContact CA-O 3.33Å; F132-I188 HydrophobicContact CD2-CG1 3.89Å; F132-A219 CarbonylContact O-C 3.47Å; F132-A219 VanDerWaalsContact O-CA 3.24Å; F132-A219 WeakPolarHBondContact O-CA 3.46Å; F132-F220 HydrophobicContact CB-CD1 4.18Å; F132-F220 HydrophobicContact CB-CD2 4.19Å; F132-F220 HydrophobicContact CB-CE1 3.7Å; F132-F220 HydrophobicContact CB-CE2 3.69Å; F132-F220 HydrophobicContact CB-CG 4.42Å; F132-F220 HydrophobicContact CB-CZ 3.42Å; F132-F220 VanDerWaalsContact CB-CZ 3.42Å; F132-F220 HydrophobicContact CD1-CD1 4.12Å; F132-F220 AromaticContact CD1-CE1 3.28Å; F132-F220 HydrophobicContact CD1-CE1 3.28Å; F132-F220 AromaticContact CD1-CZ 3.61Å; F132-F220 HydrophobicContact CD1-CZ 3.61Å; F132-F220 HydrophobicContact CE1-CE1 4.18Å; F132-F220 AromaticContact CG-CE1 3.81Å; F132-F220 HydrophobicContact CG-CE1 3.81Å; F132-F220 HydrophobicContact CG-CE2 4.42Å; F132-F220 AromaticContact CG-CZ 3.68Å; F132-F220 HydrophobicContact CG-CZ 3.68Å; F132-F220 PolarHBondContact N-O 3.24Å; F132-F220 PolarHBondContact O-N 3.03Å; F132-L222 HydrophobicContact CB-CD2 4.28Å
133V98.6Very high97.5Very high0 Ų035.6 Ų35.60%019%0.188CC..EExtended strand (participates in β ladder)trans-111.1137.9179-179.10000108V150 F168 G186 G187 V189 L191 L197 L217 G218 A219V133-V150 HydrophobicContact CG1-CG1 4.01Å; V133-F168 HydrophobicContact CB-CE2 4.01Å; V133-F168 HydrophobicContact CG1-CE2 4.49Å; V133-G186 CarbonylContact O-C 3.55Å; V133-G186 WeakPolarHBondContact O-CA 3.45Å; V133-G187 PolarHBondContact N-O 2.94Å; V133-G187 PolarHBondContact O-N 3.12Å; V133-V189 HydrophobicContact CB-CG2 4.44Å; V133-V189 HydrophobicContact CG2-CG2 3.6Å; V133-L191 HydrophobicContact CG2-CD1 4.47Å; V133-L197 HydrophobicContact CG1-CD1 4.07Å; V133-L197 HydrophobicContact CG2-CD1 3.63Å; V133-L217 HydrophobicContact CG1-CD1 4.35Å; V133-G218 WeakPolarHBondContact CA-O 3.45Å; V133-A219 HydrophobicContact CG2-CB 3.99Å
134Y98.6Very high97.3Very high35 Ų3543 Ų4314%0.13722%0.221CC..EExtended strand (participates in β ladder)trans-142.7151.8-178.560.9-86.3000111.2Q82 F132 Y184 T185 F216 G218 F220Q82-Y134 HydrophobicContact CG-CE2 4.46Å; F132-Y134 AromaticContact CD1-CD1 3.91Å; F132-Y134 HydrophobicContact CD1-CD1 3.91Å; F132-Y134 HydrophobicContact CE1-CD1 4.01Å; F132-Y134 HydrophobicContact CE1-CG 4.31Å; Y134-Y184 WeakPolarHBondContact CB-OH 3.44Å; Y134-Y184 HydrophobicContact CD2-CE2 4.39Å; Y134-T185 CarbonylContact C-O 3.58Å; Y134-T185 WeakPolarHBondContact CA-O 3.41Å; Y134-F216 HydrophobicContact CD2-CD2 4.06Å; Y134-F216 AromaticContact CD2-CE2 3.88Å; Y134-F216 HydrophobicContact CD2-CE2 3.88Å; Y134-F216 AromaticContact CE2-CD2 3.96Å; Y134-F216 HydrophobicContact CE2-CD2 3.96Å; Y134-F216 HydrophobicContact CE2-CE2 4.03Å; Y134-G218 WeakPolarHBondContact CD1-O 3.46Å; Y134-G218 PolarHBondContact N-O 2.97Å; Y134-G218 PolarHBondContact O-N 3.41Å; Y134-F220 HydrophobicContact CE1-CD1 4.14Å; Y134-F220 HydrophobicContact CE1-CE1 4.47Å
135S98.6Very high97.3Very high1 Ų143.3 Ų43.31%0.00722%0.222CC..EExtended strand (participates in β ladder)trans-151149.1178.852.80000111.9H148 V150 Y184 T185 L199 F216S135-H148 PolarHBondContact OG-NE2 2.95Å; S135-V150 WeakPolarHBondContact OG-CG2 3.4Å; S135-Y184 CarbonylContact O-C 3.46Å; S135-Y184 VanDerWaalsContact O-CA 3.28Å; S135-Y184 WeakPolarHBondContact O-CA 3.5Å; S135-Y184 WeakPolarHBondContact O-CD2 2.93Å; S135-T185 PolarHBondContact N-O 3.44Å; S135-T185 PolarHBondContact O-N 3.32Å; S135-T185 WeakPolarHBondContact OG-CG2 3.4Å; S135-L199 VanDerWaalsContact CB-CD1 3.47Å; S135-F216 WeakPolarHBondContact CA-O 3.34Å
136Q98.7Very high97.2Very high38 Ų3843.4 Ų43.418%0.17822%0.223CC..EExtended strand (participates in β ladder)trans-136.4141.4168.7-166.5171.1-86.600110C183 Y184 S214 T215 F216Q136-C183 VanDerWaalsContact CA-O 3.32Å; Q136-C183 WeakPolarHBondContact CA-O 3.49Å; Q136-Y184 HydrophobicContact CB-CD2 4.15Å; Q136-S214 PolarHBondContact NE2-O 2.92Å; Q136-T215 CarbonylContact O-C 3.52Å; Q136-T215 WeakPolarHBondContact O-CA 3.41Å; Q136-F216 HydrophobicContact CB-CD1 4.21Å; Q136-F216 HydrophobicContact CB-CD2 4.21Å; Q136-F216 HydrophobicContact CB-CE1 3.72Å; Q136-F216 HydrophobicContact CB-CE2 3.7Å; Q136-F216 HydrophobicContact CB-CG 4.44Å; Q136-F216 HydrophobicContact CB-CZ 3.44Å; Q136-F216 VanDerWaalsContact CB-CZ 3.44Å; Q136-F216 HydrophobicContact CG-CE1 4.41Å; Q136-F216 HydrophobicContact CG-CZ 4.31Å; Q136-F216 PolarHBondContact N-O 3.14Å; Q136-F216 PolarHBondContact O-N 3.08Å; Q136-F216 VanDerWaalsContact O-O 3.14Å
137V98.7Very high97.3Very high0 Ų040.5 Ų40.50%021%0.209CC..EExtended strand (participates in β ladder)trans-132.3134.7169.2-178.70000108.8I104 Y139 H148 T182 C183 L199 I201 I208 T215I104-V137 HydrophobicContact CD1-CG1 4.22Å; I104-V137 HydrophobicContact CD1-CG2 3.74Å; V137-Y139 HydrophobicContact CB-CE1 4.2Å; V137-Y139 HydrophobicContact CB-CE2 3.94Å; V137-Y139 HydrophobicContact CG1-CD1 4.07Å; V137-Y139 HydrophobicContact CG1-CE1 3.58Å; V137-Y139 HydrophobicContact CG1-CE2 4.09Å; V137-H148 HydrophobicContact CG2-CB 4.31Å; V137-H148 VanDerWaalsContact CG2-ND1 3.32Å; V137-H148 WeakPolarHBondContact CG2-ND1 3.47Å; V137-T182 WeakPolarHBondContact O-CA 3.47Å; V137-C183 PolarHBondContact N-O 2.9Å; V137-C183 VanDerWaalsContact N-O 3.12Å; V137-C183 PolarHBondContact O-N 3.29Å; V137-L199 HydrophobicContact CG2-CD1 4.04Å; V137-L199 HydrophobicContact CG2-CD2 3.99Å; V137-I201 HydrophobicContact CG1-CD1 4.39Å; V137-I208 HydrophobicContact CG1-CB 4.17Å; V137-I208 HydrophobicContact CG1-CD1 4.41Å; V137-I208 HydrophobicContact CG1-CG2 3.81Å; V137-T215 HydrophobicContact CB-CG2 4.43Å; V137-T215 HydrophobicContact CG1-CG2 4.28Å; V137-T215 HydrophobicContact CG2-CG2 4.23Å
138Y98.5Very high97.3Very high59 Ų5937.4 Ų37.423%0.23120%0.195CC..EExtended strand (participates in β ladder)trans-95.7111.2172.5-178.5-156.8000110.7Y180 T182 I208 S209 T215Y138-Y180 HydrophobicContact CE2-CD1 4.45Å; Y138-Y180 VanDerWaalsContact OH-CD1 3.31Å; Y138-Y180 WeakPolarHBondContact OH-CD1 3.32Å; Y138-T182 HydrophobicContact CD2-CG2 3.88Å; Y138-T182 HydrophobicContact CG-CG2 4.08Å; Y138-I208 CarbonylContact O-C 3.56Å; Y138-I208 VanDerWaalsContact O-CA 3.26Å; Y138-I208 WeakPolarHBondContact O-CA 3.48Å; Y138-I208 WeakPolarHBondContact O-CB 3.27Å; Y138-S209 VanDerWaalsContact CD1-CB 3.41Å; Y138-S209 PolarHBondContact O-N 3Å; Y138-T215 PolarHBondContact N-OG1 2.94Å; Y138-T215 VanDerWaalsContact N-OG1 3.14Å
139Y98.3Very high97.4Very high0 Ų034.2 Ų34.20%017%0.174CC..EExtended strand (participates in β ladder)trans-91136-179.8-58.1-77.5000111.2V137 M146 G147 H148 S179 N181 C183 I201 I208V137-Y139 HydrophobicContact CB-CE1 4.2Å; V137-Y139 HydrophobicContact CB-CE2 3.94Å; V137-Y139 HydrophobicContact CG1-CD1 4.07Å; V137-Y139 HydrophobicContact CG1-CE1 3.58Å; V137-Y139 HydrophobicContact CG1-CE2 4.09Å; Y139-M146 HydrophobicContact CD1-CB 3.64Å; Y139-M146 HydrophobicContact CD1-CE 3.7Å; Y139-M146 HydrophobicContact CD1-CG 4.21Å; Y139-M146 HydrophobicContact CD2-CB 4.14Å; Y139-M146 HydrophobicContact CE1-CB 4.08Å; Y139-M146 HydrophobicContact CE1-CE 4.04Å; Y139-M146 HydrophobicContact CG-CB 3.68Å; Y139-M146 HydrophobicContact CG-CG 4.4Å; Y139-G147 VanDerWaalsContact OH-CA 3.3Å; Y139-G147 WeakPolarHBondContact OH-CA 3.32Å; Y139-G147 PolarHBondContact OH-O 2.87Å; Y139-H148 WeakPolarHBondContact OH-CB 3.34Å; Y139-H148 PolarHBondContact OH-N 2.96Å; Y139-H148 VanDerWaalsContact OH-N 3.11Å; Y139-H148 PolarHBondContact OH-ND1 3.38Å; Y139-S179 CarbonylContact C-O 3.57Å; Y139-N181 PolarHBondContact N-O 3.3Å; Y139-N181 PolarHBondContact O-N 3.17Å; Y139-N181 VanDerWaalsContact O-N 3.11Å; Y139-C183 HydrophobicContact CD2-CB 4.28Å; Y139-C183 HydrophobicContact CE2-CB 3.62Å; Y139-I201 HydrophobicContact CE1-CD1 4.12Å; Y139-I201 HydrophobicContact CE1-CG1 4.38Å; Y139-I208 HydrophobicContact CD1-CG2 3.59Å; Y139-I208 HydrophobicContact CE1-CG2 3.95Å
140M97.1Very high97.5Very high58 Ų5833.4 Ų33.429%0.28617%0.166SC..  trans-122.118.9173.3-62.6-172.5-67.200111.1S179 Y180 N207M140-S179 CarbonylContact C-O 3.57Å; M140-S179 WeakPolarHBondContact CA-O 3Å; M140-Y180 HydrophobicContact CG-CD1 3.95Å; M140-Y180 HydrophobicContact CG-CE1 4.12Å; M140-Y180 HydrophobicContact SD-CD1 4.45Å; M140-Y180 HydrophobicContact SD-CE1 4.23Å; M140-N207 CarbonylContact C-O 3.54Å; M140-N207 PolarHBondContact N-O 3.1Å; M140-N207 PolarHBondContact O-ND2 3.12Å
141D94.8Very high97.5Very high21 Ų2127.9 Ų27.911%0.11214%0.141CC..  trans-99130-172.6-162.2-58.4000110.7T143 M146 M174 S179 A206 N207D141-T143 PolarHBondContact O-N 3.11Å; D141-T143 WeakPolarHBondContact OD1-CB 3.32Å; D141-T143 PolarHBondContact OD1-N 3.27Å; D141-T143 PolarHBondContact OD1-OG1 3.05Å; D141-M146 HydrophobicContact CB-CE 3.81Å; D141-M146 HydrophobicContact CB-CG 3.92Å; D141-M146 HydrophobicContact CB-SD 3.93Å; D141-M174 WeakPolarHBondContact O-CE 3.35Å; D141-M174 WeakPolarHBondContact O-CG 3.32Å; D141-S179 VanDerWaalsContact O-CB 3.3Å; D141-S179 WeakPolarHBondContact O-CB 3.33Å; D141-A206 WeakPolarHBondContact OD2-CA 3.41Å; D141-N207 HydrophobicContact CB-CB 3.93Å; D141-N207 PolarHBondContact N-O 3.27Å; D141-N207 PolarHBondContact OD2-N 3.3Å
142S94.5Very high97.4Very high76 Ų7629.9 Ų29.953%0.53115%0.149SC..  trans-80.9-0.4-177.763.90000114.4F144 S179S142-F144 PolarHBondContact O-N 3.19Å; S142-S179 WeakPolarHBondContact CA-OG 3.35Å; S142-S179 WeakPolarHBondContact CB-OG 3.21Å
143T94.6Very high97.4Very high54 Ų5430 Ų3033%0.33115%0.148SC..SBendtrans-54.9131.5169.9-60.20000109.8D141 T145 M146 M174D141-T143 PolarHBondContact O-N 3.11Å; D141-T143 WeakPolarHBondContact OD1-CB 3.32Å; D141-T143 PolarHBondContact OD1-N 3.27Å; D141-T143 PolarHBondContact OD1-OG1 3.05Å; T143-T145 PolarHBondContact O-N 2.97Å; T143-M146 HydrophobicContact CG2-SD 4.35Å; T143-M174 VanDerWaalsContact O-CB 3.28Å; T143-M174 WeakPolarHBondContact O-CB 3.26Å; T143-M174 VanDerWaalsContact O-CG 3.27Å; T143-M174 WeakPolarHBondContact O-CG 3.42Å
144F94.3Very high97.2Very high156 Ų15631.8 Ų31.868%0.68416%0.156SC*.SBendtrans-48.7-27.9-169.598.6-84.1000115S142 S173 M174S142-F144 PolarHBondContact O-N 3.19Å; F144-S173 WeakPolarHBondContact O-CA 3.45Å; F144-M174 PolarHBondContact O-N 3.38Å
145T96.4Very high97Very high20 Ų2032.4 Ų32.412%0.12317%0.165CC..EExtended strand (participates in β ladder)trans-144.5132.1175.9-71.80000110.6T143 I171 Q172 R203T143-T145 PolarHBondContact O-N 2.97Å; T145-I171 HydrophobicContact CG2-CG2 3.22Å; T145-Q172 CarbonylContact C-O 3.57Å; T145-Q172 VanDerWaalsContact CA-O 3.28Å; T145-Q172 WeakPolarHBondContact CA-O 3.41Å; T145-R203 PolarHBondContact O-NH2 3.42Å
146M97.8Very high96.5Very high2 Ų237.8 Ų37.81%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-123.1159.9175.6-69.5-59.4-71.400110.7Y139 D141 T143 I171 Q172 M174 I201 R203 A206Y139-M146 HydrophobicContact CD1-CB 3.64Å; Y139-M146 HydrophobicContact CD1-CE 3.7Å; Y139-M146 HydrophobicContact CD1-CG 4.21Å; Y139-M146 HydrophobicContact CD2-CB 4.14Å; Y139-M146 HydrophobicContact CE1-CB 4.08Å; Y139-M146 HydrophobicContact CE1-CE 4.04Å; Y139-M146 HydrophobicContact CG-CB 3.68Å; Y139-M146 HydrophobicContact CG-CG 4.4Å; D141-M146 HydrophobicContact CB-CE 3.81Å; D141-M146 HydrophobicContact CB-CG 3.92Å; D141-M146 HydrophobicContact CB-SD 3.93Å; T143-M146 HydrophobicContact CG2-SD 4.35Å; M146-I171 CarbonylContact O-C 3.57Å; M146-I171 WeakPolarHBondContact O-CA 3.32Å; M146-Q172 PolarHBondContact N-O 3.11Å; M146-Q172 PolarHBondContact O-N 2.6Å; M146-M174 HydrophobicContact CB-CG 4Å; M146-M174 HydrophobicContact CB-SD 4.14Å; M146-M174 HydrophobicContact CG-CG 3.74Å; M146-M174 HydrophobicContact CG-SD 4.36Å; M146-I201 HydrophobicContact CE-CG2 4.19Å; M146-R203 HydrophobicContact CE-CG 4.3Å; M146-R203 HydrophobicContact SD-CG 4.2Å; M146-A206 HydrophobicContact CE-CB 3.8Å
147G97.9Very high96.1Very high8 Ų838.7 Ų38.78%0.08220%0.202CC..EExtended strand (participates in β ladder)trans175168.8-173.400000112.5Y139 C170 I201 P202Y139-G147 VanDerWaalsContact OH-CA 3.3Å; Y139-G147 WeakPolarHBondContact OH-CA 3.32Å; Y139-G147 PolarHBondContact OH-O 2.87Å; G147-C170 CarbonylContact C-O 3.49Å; G147-C170 WeakPolarHBondContact CA-O 3Å; G147-I201 WeakPolarHBondContact O-CG2 3.48Å; G147-P202 WeakPolarHBondContact O-CD 3.49Å
148H98.6Very high95.6Very high1 Ų143.9 Ų43.91%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-138.2161176.363.5-101.3000110S135 V137 Y139 R169 C170 C183 L199 L200 I201S135-H148 PolarHBondContact OG-NE2 2.95Å; V137-H148 HydrophobicContact CG2-CB 4.31Å; V137-H148 VanDerWaalsContact CG2-ND1 3.32Å; V137-H148 WeakPolarHBondContact CG2-ND1 3.47Å; Y139-H148 WeakPolarHBondContact OH-CB 3.34Å; Y139-H148 PolarHBondContact OH-N 2.96Å; Y139-H148 VanDerWaalsContact OH-N 3.11Å; Y139-H148 PolarHBondContact OH-ND1 3.38Å; H148-R169 WeakPolarHBondContact O-CA 3.16Å; H148-C170 PolarHBondContact N-O 3.06Å; H148-C170 PolarHBondContact O-N 3.47Å; H148-C183 PolarHBondContact CE1-O 3.08Å; H148-L199 HydrophobicContact CB-CD2 3.78Å; H148-L199 HydrophobicContact CB-CG 4.16Å; H148-L200 WeakPolarHBondContact CA-O 3.28Å; H148-I201 HydrophobicContact CB-CG1 4.13Å
149V98.3Very high95.1Very high4 Ų444.9 Ų44.92%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-120.6139.3171.7-690000109.2Y101 I151 F168 R169 L199 L200Y101-V149 HydrophobicContact CE1-CG2 4Å; V149-I151 HydrophobicContact CB-CG1 4.33Å; V149-I151 HydrophobicContact CG2-CD1 3.89Å; V149-I151 HydrophobicContact CG2-CG1 3.79Å; V149-F168 WeakPolarHBondContact CA-O 3.35Å; V149-R169 HydrophobicContact CG1-CB 4.14Å; V149-R169 HydrophobicContact CG1-CG 3.85Å; V149-L199 WeakPolarHBondContact O-CA 3.36Å; V149-L200 HydrophobicContact CG2-CB 4.37Å; V149-L200 WeakPolarHBondContact CG2-O 3.45Å; V149-L200 PolarHBondContact N-O 2.94Å; V149-L200 PolarHBondContact O-N 3.49Å
150V98.4Very high94.6Very high0 Ų052.8 Ų52.80%030%0.304CS..EExtended strand (participates in β ladder)trans-96115.9166.3-178.60000107.1V133 S135 L167 F168 E198 L217V133-V150 HydrophobicContact CG1-CG1 4.01Å; S135-V150 WeakPolarHBondContact OG-CG2 3.4Å; V150-L167 HydrophobicContact CG1-CD1 4.41Å; V150-L167 PolarHBondContact O-N 2Å; V150-F168 HydrophobicContact CB-CB 4.49Å; V150-F168 HydrophobicContact CB-CD2 4.28Å; V150-F168 PolarHBondContact N-O 2.78Å; V150-E198 WeakPolarHBondContact CA-O 3.4Å; V150-L217 HydrophobicContact CG1-CD1 4.46Å; V150-L217 HydrophobicContact CG2-CD1 4.39Å
151I97.8Very high94.2Very high0 Ų054.8 Ų54.80%031%0.312CS..EExtended strand (participates in β ladder)trans-105.1132.2-175.2-52.6-171.5000108.9L96 V149 W153 D164 L197 E198 L200L96-I151 HydrophobicContact CD2-CD1 4.09Å; V149-I151 HydrophobicContact CB-CG1 4.33Å; V149-I151 HydrophobicContact CG2-CD1 3.89Å; V149-I151 HydrophobicContact CG2-CG1 3.79Å; I151-W153 HydrophobicContact CG2-CD2 4.41Å; I151-W153 HydrophobicContact CG2-CZ2 4.27Å; I151-D164 HydrophobicContact CG2-CB 3.74Å; I151-L197 WeakPolarHBondContact O-CA 3.06Å; I151-E198 PolarHBondContact N-O 3.35Å; I151-E198 PolarHBondContact O-N 3.16Å; I151-L200 HydrophobicContact CD1-CB 4.41Å; I151-L200 HydrophobicContact CD1-CD1 3.73Å; I151-L200 HydrophobicContact CD1-CG 4.29Å
152R97.7Very high93.9Very high42 Ų4259.3 Ų59.316%0.15834%0.337CS..EExtended strand (participates in β ladder)trans-94.5119.2165.2176.5-174.4179.5-172.1-1.6108.8K154 D164 V165 L167 K190 L191 D195 K196 L197R152-K154 HydrophobicContact CG-CG 4.37Å; R152-D164 WeakPolarHBondContact O-CA 3.45Å; R152-V165 PolarHBondContact N-O 3.38Å; R152-V165 PolarHBondContact O-N 2.63Å; R152-L167 HydrophobicContact CB-CD1 3.91Å; R152-L167 HydrophobicContact CB-CD2 3.93Å; R152-L167 HydrophobicContact CB-CG 3.86Å; R152-K190 PolarHBondContact NH1-O 3.24Å; R152-K190 VanDerWaalsContact NH1-O 3.11Å; R152-L191 HydrophobicContact CG-CD2 4.19Å; R152-D195 IonicContact CZ-OD2 2.6Å; R152-D195 IonicContact NE-OD2 3.68Å; R152-D195 PolarHBondContact NE-OD2 2.91Å; R152-D195 IonicContact NH2-OD2 2.74Å; R152-D195 PolarHBondContact NH2-OD2 2.97Å; R152-K196 CarbonylContact C-O 3.52Å; R152-K196 WeakPolarHBondContact CA-O 3.27Å; R152-L197 HydrophobicContact CB-CD2 4.3Å
153W96.8Very high93.7Very high54 Ų5462 Ų6221%0.20534%0.341CS..EExtended strand (participates in β ladder)trans-90.9112.8166-57.791.8000108.3L96 I151 E163 D164 D195 K196 E198L96-W153 HydrophobicContact CD2-CH2 3.73Å; L96-W153 HydrophobicContact CD2-CZ2 3.99Å; L96-W153 HydrophobicContact CG-CH2 4.06Å; I151-W153 HydrophobicContact CG2-CD2 4.41Å; I151-W153 HydrophobicContact CG2-CZ2 4.27Å; W153-E163 WeakPolarHBondContact CA-O 3.36Å; W153-D164 HydrophobicContact CD2-CB 4.27Å; W153-D164 HydrophobicContact CE3-CB 3.77Å; W153-D164 HydrophobicContact CH2-CB 3.92Å; W153-D164 HydrophobicContact CZ2-CB 4.41Å; W153-D164 HydrophobicContact CZ3-CB 3.59Å; W153-D195 WeakPolarHBondContact O-CA 3.45Å; W153-K196 HydrophobicContact CB-CB 4.12Å; W153-K196 PolarHBondContact N-O 3.03Å; W153-K196 PolarHBondContact O-N 3.35Å; W153-E198 PolarHBondContact NE1-OE2 3.47Å
154K95.6Very high93.6Very high39 Ų3961.1 Ų61.117%0.1733%0.334CS..  trans-74.9131-178.4-69.5172.162.5-177.20109.8R152 N156 V157 E161 E163 V165 D195R152-K154 HydrophobicContact CG-CG 4.37Å; K154-N156 VanDerWaalsContact C-N 3.31Å; K154-N156 WeakPolarHBondContact CE-O 3.5Å; K154-V157 HydrophobicContact CB-CG2 4.15Å; K154-E161 IonicContact NZ-OE1 3.57Å; K154-E161 IonicContact NZ-OE2 2.72Å; K154-E161 PolarHBondContact NZ-OE2 2.88Å; K154-E163 PolarHBondContact N-O 2.89Å; K154-V165 HydrophobicContact CD-CG2 3.94Å; K154-D195 WeakPolarHBondContact CA-OD1 3.27Å
155S93Very high93.6Very high48 Ų4856.4 Ų56.434%0.33632%0.318SS..SBendtrans-73.4-29.4172.9-169.70000112.3E194 D195S155-E194 WeakPolarHBondContact OG-CB 3.2Å; S155-D195 PolarHBondContact N-OD1 2.79Å
156N89.8Confident93.6Very high114 Ų11459.8 Ų59.861%0.6133%0.332SS*.SBendtrans-124.1122.1179.4-64.5-55.9000109.1K154K154-N156 VanDerWaalsContact C-N 3.31Å; K154-N156 WeakPolarHBondContact CE-O 3.5Å
157V89.6Confident93.6Very high57 Ų5761.5 Ų61.535%0.34534%0.341SS..  trans-112.5133.2176.3177.40000108.9K154 E161 E163K154-V157 HydrophobicContact CB-CG2 4.15Å; V157-E161 HydrophobicContact CG1-CB 4.02Å; V157-E161 WeakPolarHBondContact CG1-O 3.48Å; V157-E163 HydrophobicContact CG2-CB 4.33Å; V157-E163 HydrophobicContact CG2-CG 3.68Å
158V87.7Confident93.5Very high108 Ų10862.9 Ų62.966%0.65535%0.345SS*.  trans-115.8128-179.4-176.10000109.4N160 E161V158-N160 PolarHBondContact O-N 2.77Å; V158-E161 PolarHBondContact N-OE2 3.11Å; V158-E161 VanDerWaalsContact O-CG 3.28Å; V158-E161 WeakPolarHBondContact O-CG 3.4Å; V158-E161 PolarHBondContact O-N 3.41Å
159G88.9Confident93.5Very high80 Ų8071.4 Ų71.483%0.82538%0.377SS*.THydrogen-bonded Turntrans66.8-119.1176.400000112.5
160N86.8Confident93.5Very high167 Ų16771.7 Ų71.789%0.89338%0.38SS*.THydrogen-bonded Turntrans-115.129.9-176.7-162.945.7000112V158V158-N160 PolarHBondContact O-N 2.77Å
161E89.3Confident93.4Very high99 Ų9975.7 Ų75.746%0.46340%0.4SS..  trans-73.7147.7172.9-68.5177.5143.200110.6K154 V157 V158K154-E161 IonicContact NZ-OE1 3.57Å; K154-E161 IonicContact NZ-OE2 2.72Å; K154-E161 PolarHBondContact NZ-OE2 2.88Å; V157-E161 HydrophobicContact CG1-CB 4.02Å; V157-E161 WeakPolarHBondContact CG1-O 3.48Å; V158-E161 PolarHBondContact N-OE2 3.11Å; V158-E161 VanDerWaalsContact O-CG 3.28Å; V158-E161 WeakPolarHBondContact O-CG 3.4Å; V158-E161 PolarHBondContact O-N 3.41Å
162D88.2Confident93.4Very high117 Ų11779.2 Ų79.263%0.62642%0.417SS*.  trans-70.1142.9173.9-60.8-50.2000111.1
163E90.8Very high93.4Very high132 Ų13281.4 Ų81.462%0.61744%0.438SS*.SBendtrans-67.1-38.9173-78.7179.2-16900111.3W153 K154 V157W153-E163 WeakPolarHBondContact CA-O 3.36Å; K154-E163 PolarHBondContact N-O 2.89Å; V157-E163 HydrophobicContact CG2-CB 4.33Å; V157-E163 HydrophobicContact CG2-CG 3.68Å
164D92.6Very high93.4Very high36 Ų3679.6 Ų79.619%0.19343%0.432CS..EExtended strand (participates in β ladder)trans-104.8123.2177.560.9-58.9000112.4I151 R152 W153I151-D164 HydrophobicContact CG2-CB 3.74Å; R152-D164 WeakPolarHBondContact O-CA 3.45Å; W153-D164 HydrophobicContact CD2-CB 4.27Å; W153-D164 HydrophobicContact CE3-CB 3.77Å; W153-D164 HydrophobicContact CH2-CB 3.92Å; W153-D164 HydrophobicContact CZ2-CB 4.41Å; W153-D164 HydrophobicContact CZ3-CB 3.59Å
165V94.8Very high93.3Very high57 Ų5781.3 Ų81.335%0.34544%0.443SS..EExtended strand (participates in β ladder)trans-118.7121.2178.6-178.40000109.6R152 K154 L167R152-V165 PolarHBondContact N-O 3.38Å; R152-V165 PolarHBondContact O-N 2.63Å; K154-V165 HydrophobicContact CD-CG2 3.94Å; V165-L167 PolarHBondContact O-N 3.17Å
166H95.7Very high93.3Very high90 Ų9083.5 Ų83.542%0.41746%0.456SS..EExtended strand (participates in β ladder)trans-71.7109.9172.7-68179.8000110.2
167L96.8Very high93.5Very high39 Ų3984.1 Ų84.120%0.20446%0.46CS..EExtended strand (participates in β ladder)trans-79.5-54.5179.8-61.4179.4000111.5V150 R152 V165 V189 L197V150-L167 HydrophobicContact CG1-CD1 4.41Å; V150-L167 PolarHBondContact O-N 2Å; R152-L167 HydrophobicContact CB-CD1 3.91Å; R152-L167 HydrophobicContact CB-CD2 3.93Å; R152-L167 HydrophobicContact CB-CG 3.86Å; V165-L167 PolarHBondContact O-N 3.17Å; L167-V189 HydrophobicContact CB-CG1 4.38Å; L167-V189 HydrophobicContact CD1-CB 4.42Å; L167-V189 HydrophobicContact CD1-CG1 4.07Å; L167-V189 HydrophobicContact CD1-CG2 4.08Å; L167-V189 HydrophobicContact CD2-CG1 3.86Å; L167-V189 HydrophobicContact CG-CG1 4.33Å; L167-L197 HydrophobicContact CD1-CD2 3.6Å
168F97.1Very high93.6Very high36 Ų3689.6 Ų89.616%0.15848%0.475CS..EExtended strand (participates in β ladder)trans-136.3146.4-174.8-49-65.6000110V133 V149 V150 T185 G187 V189V133-F168 HydrophobicContact CB-CE2 4.01Å; V133-F168 HydrophobicContact CG1-CE2 4.49Å; V149-F168 WeakPolarHBondContact CA-O 3.35Å; V150-F168 HydrophobicContact CB-CB 4.49Å; V150-F168 HydrophobicContact CB-CD2 4.28Å; V150-F168 PolarHBondContact N-O 2.78Å; F168-T185 HydrophobicContact CB-CG2 3.86Å; F168-G187 VanDerWaalsContact CZ-C 3.45Å; F168-G187 VanDerWaalsContact CZ-CA 3.45Å; F168-V189 HydrophobicContact CE1-CG1 4.33Å; F168-V189 HydrophobicContact CE2-CG1 3.97Å; F168-V189 HydrophobicContact CZ-CG1 3.5Å; F168-V189 VanDerWaalsContact CZ-CG1 3.5Å
169R97.8Very high93.9Very high180 Ų18084.9 Ų84.968%0.67945%0.447SS*.EExtended strand (participates in β ladder)trans-130.1136.8175.2-173.517265.1164.32109.5H148 V149 I171H148-R169 WeakPolarHBondContact O-CA 3.16Å; V149-R169 HydrophobicContact CG1-CB 4.14Å; V149-R169 HydrophobicContact CG1-CG 3.85Å; R169-I171 HydrophobicContact CG-CD1 4.25Å; R169-I171 HydrophobicContact CG-CG1 3.97Å
170C98.2Very high94.3Very high11 Ų1187.6 Ų87.67%0.07443%0.434CS..EExtended strand (participates in β ladder)trans-119.1131.9172.6-157.10000108.6G147 H148 C183 Y184 T185G147-C170 CarbonylContact C-O 3.49Å; G147-C170 WeakPolarHBondContact CA-O 3Å; H148-C170 PolarHBondContact N-O 3.06Å; H148-C170 PolarHBondContact O-N 3.47Å; C170-C183 VanDerWaalsContact CA-SG 3.6Å; C170-C183 HydrophobicContact CB-CB 3.99Å; C170-C183 WeakPolarHBondContact CB-SG 3.32Å; C170-C183 VanDerWaalsContact SG-CA 3.53Å; C170-C183 WeakPolarHBondContact SG-CB 3.46Å; C170-C183 CovalentContact SG-SG 2Å; C170-C183 PolarHBondContact SG-SG 3.13Å; C170-Y184 VanDerWaalsContact SG-C 3.57Å; C170-Y184 PolarHBondContact SG-N 2.93Å; C170-Y184 VanDerWaalsContact SG-N 3.44Å; C170-Y184 PolarHBondContact SG-O 3.3Å; C170-T185 HydrophobicContact CB-CG2 3.95Å
171I97.6Very high94.8Very high84 Ų8482.2 Ų82.243%0.43141%0.405SS..EExtended strand (participates in β ladder)trans-132.9134.1-179.8-59.5-177.2000108.8T145 M146 R169 C183T145-I171 HydrophobicContact CG2-CG2 3.22Å; M146-I171 CarbonylContact O-C 3.57Å; M146-I171 WeakPolarHBondContact O-CA 3.32Å; R169-I171 HydrophobicContact CG-CD1 4.25Å; R169-I171 HydrophobicContact CG-CG1 3.97Å; I171-C183 PolarHBondContact N-SG 2.92Å; I171-C183 VanDerWaalsContact N-SG 3.38Å
172Q97.1Very high95.2Very high74 Ų7480.8 Ų80.835%0.34640%0.403SS..EExtended strand (participates in β ladder)trans-130.7136.6174-77.2-65.2-1800110.5T145 M146 M174 C183T145-Q172 CarbonylContact C-O 3.57Å; T145-Q172 VanDerWaalsContact CA-O 3.28Å; T145-Q172 WeakPolarHBondContact CA-O 3.41Å; M146-Q172 PolarHBondContact N-O 3.11Å; M146-Q172 PolarHBondContact O-N 2.6Å; Q172-M174 HydrophobicContact CB-SD 4.29Å; Q172-C183 HydrophobicContact CG-CB 3.77Å; Q172-C183 VanDerWaalsContact CG-SG 3.53Å
173S96.9Very high95.7Very high88 Ų8875.3 Ų75.362%0.61537%0.374SS*.EExtended strand (participates in β ladder)trans-77.6137.3167-60.50000109.4F144 N181F144-S173 WeakPolarHBondContact O-CA 3.45Å; S173-N181 PolarHBondContact O-ND2 3.33Å
174M96.9Very high96Very high15 Ų1574.6 Ų74.67%0.07437%0.366CS..  trans-108.5138.5-176.7-54.1-58.5-70.600110.3D141 T143 F144 M146 Q172 S179 N181D141-M174 WeakPolarHBondContact O-CE 3.35Å; D141-M174 WeakPolarHBondContact O-CG 3.32Å; T143-M174 VanDerWaalsContact O-CB 3.28Å; T143-M174 WeakPolarHBondContact O-CB 3.26Å; T143-M174 VanDerWaalsContact O-CG 3.27Å; T143-M174 WeakPolarHBondContact O-CG 3.42Å; F144-M174 PolarHBondContact O-N 3.38Å; M146-M174 HydrophobicContact CB-CG 4Å; M146-M174 HydrophobicContact CB-SD 4.14Å; M146-M174 HydrophobicContact CG-CG 3.74Å; M146-M174 HydrophobicContact CG-SD 4.36Å; Q172-M174 HydrophobicContact CB-SD 4.29Å; M174-S179 VanDerWaalsContact CE-C 3.42Å; M174-S179 WeakPolarHBondContact CE-O 3.42Å; M174-N181 HydrophobicContact CE-CB 4.04Å; M174-N181 HydrophobicContact SD-CB 3.9Å; M174-N181 PolarHBondContact SD-ND2 3.45Å
175N94Very high96.3Very high75 Ų7574.1 Ų74.140%0.40137%0.365SS..  trans-76.6132.2167.9-178.5-52.8000108.5D177 Y178 S179N175-D177 VanDerWaalsContact C-N 3.29Å; N175-D177 PolarHBondContact O-N 2.82Å; N175-D177 WeakPolarHBondContact OD1-CB 3.39Å; N175-D177 PolarHBondContact OD1-N 2.98Å; N175-Y178 CarbonylContact O-C 3.57Å; N175-Y178 PolarHBondContact OD1-N 3.35Å; N175-Y178 VanDerWaalsContact OD1-N 3.11Å; N175-S179 WeakPolarHBondContact O-CA 3.28Å; N175-S179 WeakPolarHBondContact O-CB 3.3Å; N175-S179 PolarHBondContact O-N 2.78Å; N175-S179 PolarHBondContact O-OG 3.36Å
176P92.5Very high96.5Very high94 Ų9472.8 Ų72.861%0.6136%0.362SS*.SBendtrans-67.3-26.2-177.427.3-35.3000113.9
177D93.4Very high96.6Very high128 Ų12869.1 Ų69.168%0.68435%0.349SS*.SBendtrans-91.6-36.8-179.3-55.8-46.9000111.8N175N175-D177 VanDerWaalsContact C-N 3.29Å; N175-D177 PolarHBondContact O-N 2.82Å; N175-D177 WeakPolarHBondContact OD1-CB 3.39Å; N175-D177 PolarHBondContact OD1-N 2.98Å
178Y92.7Very high96.7Very high171 Ų17172.3 Ų72.367%0.67137%0.365SS*.  trans-131.176-176.1-57.1-77.1000111.6N175 Y180N175-Y178 CarbonylContact O-C 3.57Å; N175-Y178 PolarHBondContact OD1-N 3.35Å; N175-Y178 VanDerWaalsContact OD1-N 3.11Å; Y178-Y180 VanDerWaalsContact C-N 3.3Å; Y178-Y180 PolarHBondContact O-N 3.46Å
179S94.4Very high96.7Very high10 Ų1071.5 Ų71.57%0.0736%0.364CS..  trans-87.351.2-169.2-39.30000113.9Y139 M140 D141 S142 M174 N175Y139-S179 CarbonylContact C-O 3.57Å; M140-S179 CarbonylContact C-O 3.57Å; M140-S179 WeakPolarHBondContact CA-O 3Å; D141-S179 VanDerWaalsContact O-CB 3.3Å; D141-S179 WeakPolarHBondContact O-CB 3.33Å; S142-S179 WeakPolarHBondContact CA-OG 3.35Å; S142-S179 WeakPolarHBondContact CB-OG 3.21Å; M174-S179 VanDerWaalsContact CE-C 3.42Å; M174-S179 WeakPolarHBondContact CE-O 3.42Å; N175-S179 WeakPolarHBondContact O-CA 3.28Å; N175-S179 WeakPolarHBondContact O-CB 3.3Å; N175-S179 PolarHBondContact O-N 2.78Å; N175-S179 PolarHBondContact O-OG 3.36Å
180Y96.4Very high96.7Very high137 Ų13768 Ų6854%0.53735%0.353SS..  trans-111.693.4-174.5-58.9-76.5000111.7Y138 M140 Y178Y138-Y180 HydrophobicContact CE2-CD1 4.45Å; Y138-Y180 VanDerWaalsContact OH-CD1 3.31Å; Y138-Y180 WeakPolarHBondContact OH-CD1 3.32Å; M140-Y180 HydrophobicContact CG-CD1 3.95Å; M140-Y180 HydrophobicContact CG-CE1 4.12Å; M140-Y180 HydrophobicContact SD-CD1 4.45Å; M140-Y180 HydrophobicContact SD-CE1 4.23Å; Y178-Y180 VanDerWaalsContact C-N 3.3Å; Y178-Y180 PolarHBondContact O-N 3.46Å
181N97.4Very high96.7Very high53 Ų5367.5 Ų67.528%0.28335%0.35SS..EExtended strand (participates in β ladder)trans-137.3134.1-178.5-73.2-44.4000112.5Y139 S173 M174Y139-N181 PolarHBondContact N-O 3.3Å; Y139-N181 PolarHBondContact O-N 3.17Å; Y139-N181 VanDerWaalsContact O-N 3.11Å; S173-N181 PolarHBondContact O-ND2 3.33Å; M174-N181 HydrophobicContact CE-CB 4.04Å; M174-N181 HydrophobicContact SD-CB 3.9Å; M174-N181 PolarHBondContact SD-ND2 3.45Å
182T97.9Very high96.7Very high70 Ų7066.8 Ų66.843%0.42934%0.344SS..EExtended strand (participates in β ladder)trans-88.5140.1165.653.20000110.4V137 Y138V137-T182 WeakPolarHBondContact O-CA 3.47Å; Y138-T182 HydrophobicContact CD2-CG2 3.88Å; Y138-T182 HydrophobicContact CG-CG2 4.08Å
183C98.4Very high96.7Very high1 Ų168.5 Ų68.51%0.00735%0.351CS..EExtended strand (participates in β ladder)trans-121.5117.4170.6-155.30000109Q136 V137 Y139 H148 C170 I171 Q172Q136-C183 VanDerWaalsContact CA-O 3.32Å; Q136-C183 WeakPolarHBondContact CA-O 3.49Å; V137-C183 PolarHBondContact N-O 2.9Å; V137-C183 VanDerWaalsContact N-O 3.12Å; V137-C183 PolarHBondContact O-N 3.29Å; Y139-C183 HydrophobicContact CD2-CB 4.28Å; Y139-C183 HydrophobicContact CE2-CB 3.62Å; H148-C183 PolarHBondContact CE1-O 3.08Å; C170-C183 VanDerWaalsContact CA-SG 3.6Å; C170-C183 HydrophobicContact CB-CB 3.99Å; C170-C183 WeakPolarHBondContact CB-SG 3.32Å; C170-C183 VanDerWaalsContact SG-CA 3.53Å; C170-C183 WeakPolarHBondContact SG-CB 3.46Å; C170-C183 CovalentContact SG-SG 2Å; C170-C183 PolarHBondContact SG-SG 3.13Å; I171-C183 PolarHBondContact N-SG 2.92Å; I171-C183 VanDerWaalsContact N-SG 3.38Å; Q172-C183 HydrophobicContact CG-CB 3.77Å; Q172-C183 VanDerWaalsContact CG-SG 3.53Å
184Y98.6Very high96.7Very high117 Ų11769 Ų6946%0.45934%0.343SS..EExtended strand (participates in β ladder)trans-107.8139.5176176.3-86.5000110.7Y134 S135 Q136 C170 F216Y134-Y184 WeakPolarHBondContact CB-OH 3.44Å; Y134-Y184 HydrophobicContact CD2-CE2 4.39Å; S135-Y184 CarbonylContact O-C 3.46Å; S135-Y184 VanDerWaalsContact O-CA 3.28Å; S135-Y184 WeakPolarHBondContact O-CA 3.5Å; S135-Y184 WeakPolarHBondContact O-CD2 2.93Å; Q136-Y184 HydrophobicContact CB-CD2 4.15Å; C170-Y184 VanDerWaalsContact SG-C 3.57Å; C170-Y184 PolarHBondContact SG-N 2.93Å; C170-Y184 VanDerWaalsContact SG-N 3.44Å; C170-Y184 PolarHBondContact SG-O 3.3Å; Y184-F216 HydrophobicContact CD2-CE2 4.47Å; Y184-F216 HydrophobicContact CE2-CE2 4.37Å
185T98.5Very high96.7Very high26 Ų2668.4 Ų68.416%0.1634%0.34CS..EExtended strand (participates in β ladder)trans-144.9156.9169.3-167.40000110.5Y134 S135 F168 C170Y134-T185 CarbonylContact C-O 3.58Å; Y134-T185 WeakPolarHBondContact CA-O 3.41Å; S135-T185 PolarHBondContact N-O 3.44Å; S135-T185 PolarHBondContact O-N 3.32Å; S135-T185 WeakPolarHBondContact OG-CG2 3.4Å; F168-T185 HydrophobicContact CB-CG2 3.86Å; C170-T185 HydrophobicContact CB-CG2 3.95Å
186G98.1Very high96.9Very high29 Ų2969.5 Ų69.530%0.29934%0.342SS..EExtended strand (participates in β ladder)trans-175.5163.4174.800000112.8V133V133-G186 CarbonylContact O-C 3.55Å; V133-G186 WeakPolarHBondContact O-CA 3.45Å
187G98.3Very high97.2Very high14 Ų1465 Ų6514%0.14431%0.313CS..EExtended strand (participates in β ladder)trans-178.7176.2-178.600000112.8F132 V133 F168F132-G187 WeakPolarHBondContact CA-O 3.33Å; V133-G187 PolarHBondContact N-O 2.94Å; V133-G187 PolarHBondContact O-N 3.12Å; F168-G187 VanDerWaalsContact CZ-C 3.45Å; F168-G187 VanDerWaalsContact CZ-CA 3.45Å
188I98.3Very high97.4Very high105 Ų10559.2 Ų59.254%0.53828%0.281SS..EExtended strand (participates in β ladder)trans-93.9129.5-179.9-57.9173.8000109.3F130 Y131 F132 L222F130-I188 HydrophobicContact CB-CG2 4.29Å; F130-I188 HydrophobicContact CD1-CG2 4.17Å; Y131-I188 CarbonylContact O-C 3.58Å; Y131-I188 WeakPolarHBondContact O-CA 3.26Å; F132-I188 HydrophobicContact CD2-CG1 3.89Å; I188-L222 HydrophobicContact CB-CD1 4.38Å; I188-L222 HydrophobicContact CD1-CD1 3.8Å; I188-L222 HydrophobicContact CG1-CD1 3.95Å; I188-L222 HydrophobicContact CG2-CD1 3.55Å
189V97.9Very high97.7Very high20 Ų2051 Ų5112%0.12125%0.249CC..EExtended strand (participates in β ladder)trans-134.2145.8177.7-76.40000110.8F130 Y131 V133 L167 F168 L191F130-V189 WeakPolarHBondContact CA-O 3.41Å; Y131-V189 PolarHBondContact N-O 3.06Å; Y131-V189 PolarHBondContact O-N 2.84Å; V133-V189 HydrophobicContact CB-CG2 4.44Å; V133-V189 HydrophobicContact CG2-CG2 3.6Å; L167-V189 HydrophobicContact CB-CG1 4.38Å; L167-V189 HydrophobicContact CD1-CB 4.42Å; L167-V189 HydrophobicContact CD1-CG1 4.07Å; L167-V189 HydrophobicContact CD1-CG2 4.08Å; L167-V189 HydrophobicContact CD2-CG1 3.86Å; L167-V189 HydrophobicContact CG-CG1 4.33Å; F168-V189 HydrophobicContact CE1-CG1 4.33Å; F168-V189 HydrophobicContact CE2-CG1 3.97Å; F168-V189 HydrophobicContact CZ-CG1 3.5Å; F168-V189 VanDerWaalsContact CZ-CG1 3.5Å; V189-L191 HydrophobicContact CB-CD2 4.41Å; V189-L191 HydrophobicContact CG2-CD1 4.26Å; V189-L191 HydrophobicContact CG2-CD2 3.99Å; V189-L191 HydrophobicContact CG2-CG 4.04Å
190K97.4Very high97.9Very high107 Ų10750.6 Ų50.647%0.46525%0.246SC..EExtended strand (participates in β ladder)trans-84.6123.6168-169.2-171.9-177.8-139.60109G129 F130 R152 E192G129-K190 WeakPolarHBondContact O-CA 3.46Å; F130-K190 HydrophobicContact CD1-CB 4.01Å; F130-K190 HydrophobicContact CE1-CB 3.78Å; F130-K190 HydrophobicContact CE1-CG 4.24Å; F130-K190 HydrophobicContact CZ-CB 4.35Å; F130-K190 HydrophobicContact CZ-CD 4.39Å; F130-K190 HydrophobicContact CZ-CG 4.34Å; R152-K190 PolarHBondContact NH1-O 3.24Å; R152-K190 VanDerWaalsContact NH1-O 3.11Å; K190-E192 VanDerWaalsContact CE-OE1 3.3Å; K190-E192 WeakPolarHBondContact CE-OE1 3.31Å; K190-E192 IonicContact NZ-OE1 2.79Å; K190-E192 PolarHBondContact NZ-OE1 3.16Å
191L97.6Very high98Very high0 Ų044 Ų440%022%0.22CC..EExtended strand (participates in β ladder)trans-118.4144.3177.5-55.3174.2000110V125 P128 G129 Y131 V133 R152 V189 L197V125-L191 HydrophobicContact CG1-CB 4.19Å; V125-L191 HydrophobicContact CG2-CB 3.91Å; V125-L191 HydrophobicContact CG2-CD1 3.67Å; V125-L191 HydrophobicContact CG2-CG 4.37Å; P128-L191 WeakPolarHBondContact CA-O 3.24Å; G129-L191 PolarHBondContact N-O 3.49Å; G129-L191 PolarHBondContact O-N 3.05Å; Y131-L191 HydrophobicContact CD2-CB 3.84Å; Y131-L191 HydrophobicContact CD2-CD1 3.74Å; Y131-L191 HydrophobicContact CD2-CG 3.97Å; Y131-L191 HydrophobicContact CE2-CB 4.17Å; Y131-L191 HydrophobicContact CG-CD1 3.85Å; Y131-L191 HydrophobicContact CG-CG 4.48Å; V133-L191 HydrophobicContact CG2-CD1 4.47Å; R152-L191 HydrophobicContact CG-CD2 4.19Å; V189-L191 HydrophobicContact CB-CD2 4.41Å; V189-L191 HydrophobicContact CG2-CD1 4.26Å; V189-L191 HydrophobicContact CG2-CD2 3.99Å; V189-L191 HydrophobicContact CG2-CG 4.04Å; L191-L197 HydrophobicContact CD1-CD1 3.77Å; L191-L197 HydrophobicContact CD1-CD2 4.08Å; L191-L197 HydrophobicContact CD1-CG 4.14Å; L191-L197 HydrophobicContact CD2-CD2 3.96Å
192E97.2Very high98Very high68 Ų6843.9 Ų43.932%0.31822%0.222SC..  trans-99.2163.2176.4-59.1-61.715900109.8V125 K190 D195V125-E192 WeakPolarHBondContact CB-O 3.13Å; V125-E192 WeakPolarHBondContact CG1-O 3.05Å; K190-E192 VanDerWaalsContact CE-OE1 3.3Å; K190-E192 WeakPolarHBondContact CE-OE1 3.31Å; K190-E192 IonicContact NZ-OE1 2.79Å; K190-E192 PolarHBondContact NZ-OE1 3.16Å; E192-D195 PolarHBondContact N-OD2 2.97Å; E192-D195 WeakPolarHBondContact O-CB 3.3Å; E192-D195 PolarHBondContact O-N 3.46Å
193K97.3Very high97.9Very high111 Ų11144.7 Ų44.748%0.48322%0.217SC..THydrogen-bonded Turntrans-58.2141.3174.7179.5177176.2-156.60110.1N126 D195N126-K193 WeakPolarHBondContact O-CG 3.38Å; K193-D195 PolarHBondContact O-N 3.33Å
194E97.4Very high97.6Very high98 Ų9848.1 Ų48.146%0.45824%0.241SC..THydrogen-bonded Turntrans70.4-1.4-178.8-69.3154.1-151.300115.7V125 S155V125-E194 WeakPolarHBondContact O-CA 3.46Å; V125-E194 PolarHBondContact O-N 3.14Å; S155-E194 WeakPolarHBondContact OG-CB 3.2Å
195D97.9Very high97.4Very high2 Ų249.1 Ų49.11%0.01125%0.252CS..  trans-60146.9169.2-72.6-14.6000111.2V124 V125 R152 W153 K154 S155 E192 K193V124-D195 WeakPolarHBondContact CA-O 3.41Å; V125-D195 HydrophobicContact CB-CB 4.44Å; V125-D195 HydrophobicContact CG2-CB 4.33Å; V125-D195 PolarHBondContact N-O 2.79Å; R152-D195 IonicContact CZ-OD2 2.6Å; R152-D195 IonicContact NE-OD2 3.68Å; R152-D195 PolarHBondContact NE-OD2 2.91Å; R152-D195 IonicContact NH2-OD2 2.74Å; R152-D195 PolarHBondContact NH2-OD2 2.97Å; W153-D195 WeakPolarHBondContact O-CA 3.45Å; K154-D195 WeakPolarHBondContact CA-OD1 3.27Å; S155-D195 PolarHBondContact N-OD1 2.79Å; E192-D195 PolarHBondContact N-OD2 2.97Å; E192-D195 WeakPolarHBondContact O-CB 3.3Å; E192-D195 PolarHBondContact O-N 3.46Å; K193-D195 PolarHBondContact O-N 3.33Å
196K98.1Very high97.3Very high98 Ų9848.9 Ų48.943%0.42625%0.253SS..EExtended strand (participates in β ladder)trans-116.7136177.3-45.7-178.4-179.1166.20110.7C122 I123 V124 R152 W153C122-K196 HydrophobicContact CB-CB 4.42Å; I123-K196 CarbonylContact O-C 3.44Å; I123-K196 VanDerWaalsContact O-CA 3.25Å; I123-K196 WeakPolarHBondContact O-CA 3.47Å; V124-K196 HydrophobicContact CG2-CG 4.16Å; R152-K196 CarbonylContact C-O 3.52Å; R152-K196 WeakPolarHBondContact CA-O 3.27Å; W153-K196 HydrophobicContact CB-CB 4.12Å; W153-K196 PolarHBondContact N-O 3.03Å; W153-K196 PolarHBondContact O-N 3.35Å
197L98.4Very high97.2Very high0 Ų051.6 Ų51.60%026%0.26CS..EExtended strand (participates in β ladder)trans-103.2130.8168.5-55.7171.9000109C122 I123 V133 I151 R152 L167 L191 A219C122-L197 WeakPolarHBondContact CA-O 3.16Å; C122-L197 WeakPolarHBondContact CB-O 3.44Å; I123-L197 HydrophobicContact CB-CB 4.21Å; I123-L197 HydrophobicContact CG2-CD1 4.43Å; I123-L197 PolarHBondContact N-O 2.88Å; I123-L197 PolarHBondContact O-N 2.81Å; V133-L197 HydrophobicContact CG1-CD1 4.07Å; V133-L197 HydrophobicContact CG2-CD1 3.63Å; I151-L197 WeakPolarHBondContact O-CA 3.06Å; R152-L197 HydrophobicContact CB-CD2 4.3Å; L167-L197 HydrophobicContact CD1-CD2 3.6Å; L191-L197 HydrophobicContact CD1-CD1 3.77Å; L191-L197 HydrophobicContact CD1-CD2 4.08Å; L191-L197 HydrophobicContact CD1-CG 4.14Å; L191-L197 HydrophobicContact CD2-CD2 3.96Å; L197-A219 HydrophobicContact CD1-CB 4.22Å
198E98.1Very high97.2Very high6 Ų651.5 Ų51.53%0.02826%0.256CS..EExtended strand (participates in β ladder)trans-135.9145.5177.2-168.9-179.4-154.300109.4K94 V150 I151 W153 L200K94-E198 IonicContact NZ-OE1 2.77Å; K94-E198 PolarHBondContact NZ-OE1 3.01Å; K94-E198 IonicContact NZ-OE2 3.6Å; K94-E198 PolarHBondContact NZ-OE2 3.49Å; V150-E198 WeakPolarHBondContact CA-O 3.4Å; I151-E198 PolarHBondContact N-O 3.35Å; I151-E198 PolarHBondContact O-N 3.16Å; W153-E198 PolarHBondContact NE1-OE2 3.47Å; E198-L200 HydrophobicContact CG-CD2 4.03Å; E198-L200 HydrophobicContact CG-CG 4.16Å
199L98.5Very high97.1Very high0 Ų046.9 Ų46.90%023%0.233CC..EExtended strand (participates in β ladder)trans-109.7123.6174.2-178.7164.7000109.1I104 W106 S135 V137 H148 V149 L217I104-L199 HydrophobicContact CD1-CD2 3.58Å; I104-L199 HydrophobicContact CG1-CD2 4.15Å; W106-L199 HydrophobicContact CH2-CD1 4.42Å; W106-L199 HydrophobicContact CZ2-CB 4.09Å; W106-L199 HydrophobicContact CZ2-CD1 4.21Å; W106-L199 HydrophobicContact CZ2-CD2 4.35Å; W106-L199 HydrophobicContact CZ2-CG 4.46Å; S135-L199 VanDerWaalsContact CB-CD1 3.47Å; V137-L199 HydrophobicContact CG2-CD1 4.04Å; V137-L199 HydrophobicContact CG2-CD2 3.99Å; H148-L199 HydrophobicContact CB-CD2 3.78Å; H148-L199 HydrophobicContact CB-CG 4.16Å; V149-L199 WeakPolarHBondContact O-CA 3.36Å; L199-L217 HydrophobicContact CB-CD1 4.48Å; L199-L217 HydrophobicContact CB-CD2 4.04Å; L199-L217 HydrophobicContact CD1-CB 4.44Å
200L98.3Very high97.1Very high0 Ų047.2 Ų47.20%024%0.235CC..EExtended strand (participates in β ladder)trans-127.4148.8179.2-60.8-178.7000111.6K94 L96 Y101 H148 V149 I151 E198K94-L200 HydrophobicContact CD-CD1 3.95Å; K94-L200 HydrophobicContact CD-CD2 4.1Å; L96-L200 HydrophobicContact CD1-CD1 3.8Å; L96-L200 HydrophobicContact CD2-CD1 4.27Å; Y101-L200 HydrophobicContact CD1-CB 3.56Å; Y101-L200 HydrophobicContact CD1-CD1 4.16Å; Y101-L200 HydrophobicContact CE1-CB 4.39Å; Y101-L200 HydrophobicContact CG-CB 4.15Å; Y101-L200 HydrophobicContact CG-CD1 4.14Å; H148-L200 WeakPolarHBondContact CA-O 3.28Å; V149-L200 HydrophobicContact CG2-CB 4.37Å; V149-L200 WeakPolarHBondContact CG2-O 3.45Å; V149-L200 PolarHBondContact N-O 2.94Å; V149-L200 PolarHBondContact O-N 3.49Å; I151-L200 HydrophobicContact CD1-CB 4.41Å; I151-L200 HydrophobicContact CD1-CD1 3.73Å; I151-L200 HydrophobicContact CD1-CG 4.29Å; E198-L200 HydrophobicContact CG-CD2 4.03Å; E198-L200 HydrophobicContact CG-CG 4.16Å
201I98.3Very high97.1Very high0 Ų047.3 Ų47.30%024%0.236CC..EExtended strand (participates in β ladder)trans-103.8118174.9-64.3165.4000107.8Y101 I102 I104 V137 Y139 M146 G147 H148 R203 A206 I208Y101-I201 CarbonylContact C-O 3.58Å; Y101-I201 VanDerWaalsContact CA-O 3.27Å; Y101-I201 WeakPolarHBondContact CA-O 3.28Å; I102-I201 HydrophobicContact CB-CB 4.28Å; I102-I201 PolarHBondContact N-O 3.31Å; I102-I201 PolarHBondContact O-N 2.8Å; I104-I201 HydrophobicContact CD1-CD1 4.18Å; I104-I201 HydrophobicContact CG1-CD1 4.29Å; V137-I201 HydrophobicContact CG1-CD1 4.39Å; Y139-I201 HydrophobicContact CE1-CD1 4.12Å; Y139-I201 HydrophobicContact CE1-CG1 4.38Å; M146-I201 HydrophobicContact CE-CG2 4.19Å; G147-I201 WeakPolarHBondContact O-CG2 3.48Å; H148-I201 HydrophobicContact CB-CG1 4.13Å; I201-R203 HydrophobicContact CG2-CB 4.09Å; I201-R203 HydrophobicContact CG2-CG 3.96Å; I201-R203 PolarHBondContact O-N 3.02Å; I201-A206 HydrophobicContact CD1-CB 4.15Å; I201-A206 HydrophobicContact CG2-CB 3.89Å; I201-I208 HydrophobicContact CD1-CD1 3.97Å; I201-I208 HydrophobicContact CD1-CG2 3.88Å
202P97.1Very high97Very high50 Ų5048.2 Ų48.233%0.32525%0.246SC..SBendtrans-75.764.8-177.131.2-35.6000112.1Y101 G147Y101-P202 HydrophobicContact CD1-CB 3.97Å; Y101-P202 HydrophobicContact CE1-CB 3.56Å; G147-P202 WeakPolarHBondContact O-CD 3.49Å
203R95.8Very high97Very high86 Ų8651 Ų5133%0.32526%0.263SS..SBendtrans-145.1154.8178.9-64.1-66.3-179.2-142.27.2109.7P100 Y101 I102 T145 M146 I201 M205P100-R203 CarbonylContact O-C 3.48Å; P100-R203 PolarHBondContact O-N 3.4Å; Y101-R203 CarbonylContact C-O 3.57Å; I102-R203 WeakPolarHBondContact CG1-O 3.38Å; I102-R203 PolarHBondContact N-O 3.05Å; T145-R203 PolarHBondContact O-NH2 3.42Å; M146-R203 HydrophobicContact CE-CG 4.3Å; M146-R203 HydrophobicContact SD-CG 4.2Å; I201-R203 HydrophobicContact CG2-CB 4.09Å; I201-R203 HydrophobicContact CG2-CG 3.96Å; I201-R203 PolarHBondContact O-N 3.02Å; R203-M205 VanDerWaalsContact C-N 3.35Å; R203-M205 WeakPolarHBondContact CB-O 3.23Å
204S93.9Very high96.9Very high73 Ų7346.4 Ų46.451%0.5125%0.245SC..SBendtrans-76-24.4172.955.30000113.3
205M93.4Very high97Very high139 Ų13941.8 Ų41.869%0.68522%0.223SC*.SBendtrans-147.3147.3174.7-64.6-174.964.100108.6R203R203-M205 VanDerWaalsContact C-N 3.35Å; R203-M205 WeakPolarHBondContact CB-O 3.23Å
206A95.4Very high97Very high21 Ų2143.1 Ų43.117%0.17423%0.229CC..  trans-148.3128.4177.400000110.3I102 D141 M146 I201 I208I102-A206 HydrophobicContact CB-CB 4.43Å; I102-A206 HydrophobicContact CG1-CB 4.26Å; D141-A206 WeakPolarHBondContact OD2-CA 3.41Å; M146-A206 HydrophobicContact CE-CB 3.8Å; I201-A206 HydrophobicContact CD1-CB 4.15Å; I201-A206 HydrophobicContact CG2-CB 3.89Å; A206-I208 HydrophobicContact CB-CG2 4.38Å
207N96.6Very high97.1Very high85 Ų8538.4 Ų38.446%0.45521%0.209SC..  trans-91.8112.3168.7-169.121.3000110.6M140 D141M140-N207 CarbonylContact C-O 3.54Å; M140-N207 PolarHBondContact N-O 3.1Å; M140-N207 PolarHBondContact O-ND2 3.12Å; D141-N207 HydrophobicContact CB-CB 3.93Å; D141-N207 PolarHBondContact N-O 3.27Å; D141-N207 PolarHBondContact OD2-N 3.3Å
208I97.8Very high97.1Very high12 Ų1238.4 Ų38.46%0.06221%0.209CC..BIsolated β-bridgetrans-137.2156.2-176.161.2168.6000110.9I104 V137 Y138 Y139 I201 A206 L210I104-I208 HydrophobicContact CD1-CD1 3.68Å; I104-I208 HydrophobicContact CG1-CD1 3.7Å; I104-I208 HydrophobicContact CG2-CD1 4.4Å; V137-I208 HydrophobicContact CG1-CB 4.17Å; V137-I208 HydrophobicContact CG1-CD1 4.41Å; V137-I208 HydrophobicContact CG1-CG2 3.81Å; Y138-I208 CarbonylContact O-C 3.56Å; Y138-I208 VanDerWaalsContact O-CA 3.26Å; Y138-I208 WeakPolarHBondContact O-CA 3.48Å; Y138-I208 WeakPolarHBondContact O-CB 3.27Å; Y139-I208 HydrophobicContact CD1-CG2 3.59Å; Y139-I208 HydrophobicContact CE1-CG2 3.95Å; I201-I208 HydrophobicContact CD1-CD1 3.97Å; I201-I208 HydrophobicContact CD1-CG2 3.88Å; A206-I208 HydrophobicContact CB-CG2 4.38Å; I208-L210 HydrophobicContact CD1-CD2 4.01Å; I208-L210 HydrophobicContact CG1-CD2 4.26Å
209S97.8Very high97.1Very high8 Ų838.1 Ų38.16%0.05621%0.207CC..  trans-76.6135168.9-174.70000110.2Y138 E211 S214 T215Y138-S209 VanDerWaalsContact CD1-CB 3.41Å; Y138-S209 PolarHBondContact O-N 3Å; S209-E211 WeakPolarHBondContact OG-CG 3.3Å; S209-E211 PolarHBondContact OG-N 3.45Å; S209-S214 PolarHBondContact OG-OG 3.45Å; S209-T215 WeakPolarHBondContact O-CB 3.48Å; S209-T215 PolarHBondContact O-OG1 3.46Å
210L98Very high97Very high28 Ų2841.3 Ų41.315%0.14722%0.221CC..  trans-101.918.9172.6-62.4178.1000112.3A85 N87 R89 P91 I104 P105 I208A85-L210 CarbonylContact C-O 3.56Å; A85-L210 HydrophobicContact CB-CB 4.26Å; A85-L210 HydrophobicContact CB-CD2 4.16Å; A85-L210 WeakPolarHBondContact CB-O 3.43Å; N87-L210 HydrophobicContact CB-CB 3.99Å; N87-L210 PolarHBondContact N-O 2.93Å; R89-L210 WeakPolarHBondContact O-CD1 3.44Å; P91-L210 HydrophobicContact CG-CD1 4.32Å; P91-L210 HydrophobicContact CG-CD2 4.48Å; I104-L210 HydrophobicContact CG2-CD2 3.99Å; P105-L210 HydrophobicContact CG-CD2 4.4Å; I208-L210 HydrophobicContact CD1-CD2 4.01Å; I208-L210 HydrophobicContact CG1-CD2 4.26Å
211E97.3Very high97Very high108 Ų10843.8 Ų43.851%0.50523%0.232SC..  trans-77.2132.2171.1-61.6177.6157.600110S209 D213 S214 T215S209-E211 WeakPolarHBondContact OG-CG 3.3Å; S209-E211 PolarHBondContact OG-N 3.45Å; E211-D213 VanDerWaalsContact C-N 3.27Å; E211-D213 VanDerWaalsContact CB-OD1 3.27Å; E211-D213 WeakPolarHBondContact CB-OD1 3.32Å; E211-D213 PolarHBondContact O-N 3.19Å; E211-S214 PolarHBondContact O-N 3.34Å; E211-S214 PolarHBondContact O-OG 3.44Å; E211-T215 PolarHBondContact O-N 3.21Å
212G95.6Very high96.8Very high19 Ų1946.5 Ų46.520%0.19625%0.246CC..THydrogen-bonded Turntrans-68.7-22.3-171.200000115L84L84-G212 WeakPolarHBondContact CD2-O 3.37Å
213D95.5Very high96.1Very high128 Ų12852.2 Ų52.268%0.68430%0.297SS*.THydrogen-bonded Turntrans-78.3-24.1175.960.3-16.8000113.1E211E211-D213 VanDerWaalsContact C-N 3.27Å; E211-D213 VanDerWaalsContact CB-OD1 3.27Å; E211-D213 WeakPolarHBondContact CB-OD1 3.32Å; E211-D213 PolarHBondContact O-N 3.19Å
214S96.9Very high96.1Very high14 Ų1450.5 Ų50.510%0.09830%0.296CS..THydrogen-bonded Turntrans-101.9-30.3-178.1660000113.6Q136 S209 E211Q136-S214 PolarHBondContact NE2-O 2.92Å; S209-S214 PolarHBondContact OG-OG 3.45Å; E211-S214 PolarHBondContact O-N 3.34Å; E211-S214 PolarHBondContact O-OG 3.44Å
215T98.6Very high96.2Very high0 Ų049.3 Ų49.30%029%0.285CS..SBendtrans-126.9115.8-179.5-63.10000111.4A85 I104 W106 Q136 V137 Y138 S209 E211A85-T215 HydrophobicContact CB-CG2 3.86Å; A85-T215 WeakPolarHBondContact CB-O 3.45Å; A85-T215 PolarHBondContact N-O 3.46Å; I104-T215 HydrophobicContact CD1-CG2 3.77Å; I104-T215 HydrophobicContact CG2-CG2 4.2Å; W106-T215 HydrophobicContact CH2-CG2 3.99Å; W106-T215 HydrophobicContact CZ3-CG2 4.13Å; Q136-T215 CarbonylContact O-C 3.52Å; Q136-T215 WeakPolarHBondContact O-CA 3.41Å; V137-T215 HydrophobicContact CB-CG2 4.43Å; V137-T215 HydrophobicContact CG1-CG2 4.28Å; V137-T215 HydrophobicContact CG2-CG2 4.23Å; Y138-T215 PolarHBondContact N-OG1 2.94Å; Y138-T215 VanDerWaalsContact N-OG1 3.14Å; S209-T215 WeakPolarHBondContact O-CB 3.48Å; S209-T215 PolarHBondContact O-OG1 3.46Å; E211-T215 PolarHBondContact O-N 3.21Å
216F98.6Very high96.4Very high30 Ų3044.3 Ų44.313%0.13226%0.262CS..EExtended strand (participates in β ladder)trans-153.7158.3-175.453.9-98.8000113L83 L84 Y134 S135 Q136 Y184L83-F216 CarbonylContact O-C 3.48Å; L83-F216 VanDerWaalsContact O-CA 3.24Å; L83-F216 WeakPolarHBondContact O-CA 3.29Å; L83-F216 VanDerWaalsContact O-CB 3.26Å; L83-F216 WeakPolarHBondContact O-CB 3.5Å; L84-F216 HydrophobicContact CD2-CB 3.91Å; Y134-F216 HydrophobicContact CD2-CD2 4.06Å; Y134-F216 AromaticContact CD2-CE2 3.88Å; Y134-F216 HydrophobicContact CD2-CE2 3.88Å; Y134-F216 AromaticContact CE2-CD2 3.96Å; Y134-F216 HydrophobicContact CE2-CD2 3.96Å; Y134-F216 HydrophobicContact CE2-CE2 4.03Å; S135-F216 WeakPolarHBondContact CA-O 3.34Å; Q136-F216 HydrophobicContact CB-CD1 4.21Å; Q136-F216 HydrophobicContact CB-CD2 4.21Å; Q136-F216 HydrophobicContact CB-CE1 3.72Å; Q136-F216 HydrophobicContact CB-CE2 3.7Å; Q136-F216 HydrophobicContact CB-CG 4.44Å; Q136-F216 HydrophobicContact CB-CZ 3.44Å; Q136-F216 VanDerWaalsContact CB-CZ 3.44Å; Q136-F216 HydrophobicContact CG-CE1 4.41Å; Q136-F216 HydrophobicContact CG-CZ 4.31Å; Q136-F216 PolarHBondContact N-O 3.14Å; Q136-F216 PolarHBondContact O-N 3.08Å; Q136-F216 VanDerWaalsContact O-O 3.14Å; Y184-F216 HydrophobicContact CD2-CE2 4.47Å; Y184-F216 HydrophobicContact CE2-CE2 4.37Å
217L98.7Very high96.5Very high0 Ų045.7 Ų45.70%027%0.268CS..EExtended strand (participates in β ladder)trans-133.4133172.3170.367.1000108.2L83 W106 I123 V133 V150 L199L83-L217 WeakPolarHBondContact CA-O 3.49Å; L83-L217 HydrophobicContact CB-CB 4.46Å; L83-L217 WeakPolarHBondContact CB-O 3.42Å; L83-L217 HydrophobicContact CD1-CD2 4.48Å; L83-L217 PolarHBondContact N-O 3.45Å; L83-L217 PolarHBondContact O-N 2.86Å; W106-L217 HydrophobicContact CH2-CB 4.09Å; W106-L217 HydrophobicContact CZ2-CB 3.99Å; I123-L217 HydrophobicContact CD1-CD2 4.22Å; I123-L217 HydrophobicContact CD1-CG 4.02Å; V133-L217 HydrophobicContact CG1-CD1 4.35Å; V150-L217 HydrophobicContact CG1-CD1 4.46Å; V150-L217 HydrophobicContact CG2-CD1 4.39Å; L199-L217 HydrophobicContact CB-CD1 4.48Å; L199-L217 HydrophobicContact CB-CD2 4.04Å; L199-L217 HydrophobicContact CD1-CB 4.44Å
218G98.3Very high96.4Very high0 Ų043.3 Ų43.30%026%0.256CS..EExtended strand (participates in β ladder)trans-148.9163.5177.800000113.8L81 V133 Y134L81-G218 CarbonylContact O-C 3.53Å; L81-G218 WeakPolarHBondContact O-CA 3.39Å; V133-G218 WeakPolarHBondContact CA-O 3.45Å; Y134-G218 WeakPolarHBondContact CD1-O 3.46Å; Y134-G218 PolarHBondContact N-O 2.97Å; Y134-G218 PolarHBondContact O-N 3.41Å
219A98.4Very high96.4Very high0 Ų045.3 Ų45.30%027%0.269CS..EExtended strand (participates in β ladder)trans-147.1149.3175.700000110.8C80 L81 L116 I123 F132 V133 L197C80-A219 CarbonylContact C-O 3.57Å; C80-A219 VanDerWaalsContact CA-O 3.3Å; C80-A219 WeakPolarHBondContact CA-O 3.48Å; L81-A219 PolarHBondContact N-O 3.08Å; L81-A219 PolarHBondContact O-N 3.03Å; L116-A219 HydrophobicContact CD1-CB 3.81Å; L116-A219 VanDerWaalsContact CD1-O 3.27Å; L116-A219 WeakPolarHBondContact CD1-O 3.47Å; I123-A219 HydrophobicContact CD1-CB 4.45Å; F132-A219 CarbonylContact O-C 3.47Å; F132-A219 VanDerWaalsContact O-CA 3.24Å; F132-A219 WeakPolarHBondContact O-CA 3.46Å; V133-A219 HydrophobicContact CG2-CB 3.99Å; L197-A219 HydrophobicContact CD1-CB 4.22Å
220F97.5Very high96.3Very high67 Ų6748 Ų4829%0.29428%0.284SS..EExtended strand (participates in β ladder)trans-140.9143.716863.5-96.4000111.9V78 S79 C80 Y131 F132 Y134 L222V78-F220 HydrophobicContact CG1-CB 3.91Å; V78-F220 HydrophobicContact CG1-CD2 3.89Å; V78-F220 HydrophobicContact CG1-CG 4.27Å; S79-F220 CarbonylContact O-C 3.57Å; S79-F220 VanDerWaalsContact O-CA 3.23Å; S79-F220 WeakPolarHBondContact O-CA 3.49Å; S79-F220 WeakPolarHBondContact O-CB 3.48Å; C80-F220 HydrophobicContact CB-CB 3.49Å; C80-F220 VanDerWaalsContact CB-CB 3.49Å; Y131-F220 CarbonylContact C-O 3.56Å; Y131-F220 VanDerWaalsContact CA-O 3.26Å; Y131-F220 WeakPolarHBondContact CA-O 3.32Å; F132-F220 HydrophobicContact CB-CD1 4.18Å; F132-F220 HydrophobicContact CB-CD2 4.19Å; F132-F220 HydrophobicContact CB-CE1 3.7Å; F132-F220 HydrophobicContact CB-CE2 3.69Å; F132-F220 HydrophobicContact CB-CG 4.42Å; F132-F220 HydrophobicContact CB-CZ 3.42Å; F132-F220 VanDerWaalsContact CB-CZ 3.42Å; F132-F220 HydrophobicContact CD1-CD1 4.12Å; F132-F220 AromaticContact CD1-CE1 3.28Å; F132-F220 HydrophobicContact CD1-CE1 3.28Å; F132-F220 AromaticContact CD1-CZ 3.61Å; F132-F220 HydrophobicContact CD1-CZ 3.61Å; F132-F220 HydrophobicContact CE1-CE1 4.18Å; F132-F220 AromaticContact CG-CE1 3.81Å; F132-F220 HydrophobicContact CG-CE1 3.81Å; F132-F220 HydrophobicContact CG-CE2 4.42Å; F132-F220 AromaticContact CG-CZ 3.68Å; F132-F220 HydrophobicContact CG-CZ 3.68Å; F132-F220 PolarHBondContact N-O 3.24Å; F132-F220 PolarHBondContact O-N 3.03Å; Y134-F220 HydrophobicContact CE1-CD1 4.14Å; Y134-F220 HydrophobicContact CE1-CE1 4.47Å; F220-L222 HydrophobicContact CD2-CD2 4.06Å; F220-L222 HydrophobicContact CE2-CD2 3.61Å
221K97.1Very high96.1Very high52 Ų5249.5 Ų49.523%0.22630%0.295CS..EExtended strand (participates in β ladder)trans-75.4130.2-179-163.1-177.9-176-172.80109.7V78 S79 E127 Y131V78-K221 WeakPolarHBondContact CG1-O 3.24Å; S79-K221 PolarHBondContact O-N 2.97Å; E127-K221 IonicContact OE2-NZ 2.75Å; E127-K221 PolarHBondContact OE2-NZ 3.42Å; Y131-K221 HydrophobicContact CD1-CB 3.93Å; Y131-K221 HydrophobicContact CD1-CG 4.35Å; Y131-K221 HydrophobicContact CE1-CB 3.47Å; Y131-K221 VanDerWaalsContact CE1-CB 3.47Å; Y131-K221 HydrophobicContact CE1-CD 4.43Å; Y131-K221 HydrophobicContact CE1-CG 3.76Å; Y131-K221 HydrophobicContact CE2-CG 4.29Å
222L94.9Very high96Very high56 Ų5644.7 Ų44.729%0.29328%0.277SS..  trans-78.4141.9170-56-178.6000108.7F130 F132 I188 F220F130-L222 HydrophobicContact CB-CB 4.22Å; F130-L222 HydrophobicContact CB-CD1 4.05Å; F130-L222 HydrophobicContact CB-CG 4.42Å; F130-L222 PolarHBondContact O-N 3.28Å; F132-L222 HydrophobicContact CB-CD2 4.28Å; I188-L222 HydrophobicContact CB-CD1 4.38Å; I188-L222 HydrophobicContact CD1-CD1 3.8Å; I188-L222 HydrophobicContact CG1-CD1 3.95Å; I188-L222 HydrophobicContact CG2-CD1 3.55Å; F220-L222 HydrophobicContact CD2-CD2 4.06Å; F220-L222 HydrophobicContact CE2-CD2 3.61Å
223A82.3Confident96.1Very high170 Ų17047 Ų47100%1.40529%0.285SS*.  trans-54.70-176.800000112.6

Retrieved 223 of 223 residues in 92.2 ms (Link to these results)

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