A0A096M2C7_POEFO Loading...

Abhydrolase domain containing 14A

AlphaFold DB , UniProt , Accession A0A096M2C7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 269 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
1M55.9Low68.6Low216 Ų216135.3 Ų135.3100%1.06465%0.649SS**  0-31.20-83.3165.96500114.8
2N55.6Low69.8Low114 Ų114127.3 Ų127.361%0.6163%0.628SS**Hα-helixtrans-72.2-29.7-174.7-69.1-3.7000115.5N6N2-N6 PolarHBondContact O-N 3.39Å; N2-N6 PolarHBondContact O-OD1 3.35Å
3F54.8Low70.9Confident165 Ų165125.2 Ų125.272%0.72462%0.62SS**Hα-helixtrans-71-39-176.6-157.2-95.3000113.3N6 R7F3-N6 PolarHBondContact O-N 2.99Å; F3-R7 PolarHBondContact O-N 3.31Å
4L63Low71.6Confident127 Ų127126 Ų12667%0.66562%0.624SS**Hα-helixtrans-70.9-37.2178-140.876.6000111.4N6 R7 L8L4-N6 VanDerWaalsContact C-N 3.34Å; L4-N6 PolarHBondContact O-N 3.3Å; L4-R7 PolarHBondContact O-N 3.06Å; L4-L8 PolarHBondContact O-N 3.31Å; L4-L8 VanDerWaalsContact O-N 3.1Å
5R68.6Low72.4Confident169 Ų169125.6 Ų125.664%0.63862%0.624SS**Hα-helixtrans-62.2-41.9176.1-157.4173.597.3-171.18.5111.3R7 L8 V9R5-R7 PolarHBondContact O-N 3.2Å; R5-L8 PolarHBondContact O-N 3.21Å; R5-V9 VanDerWaalsContact O-CG2 3.23Å; R5-V9 WeakPolarHBondContact O-CG2 3.38Å; R5-V9 PolarHBondContact O-N 2.75Å
6N66.1Low72.9Confident100 Ų100123.8 Ų123.854%0.53562%0.617SS.*Hα-helixtrans-67.8-35.1178.6-71.23.3000112.7N2 F3 L4 V9 M10N2-N6 PolarHBondContact O-N 3.39Å; N2-N6 PolarHBondContact O-OD1 3.35Å; F3-N6 PolarHBondContact O-N 2.99Å; L4-N6 VanDerWaalsContact C-N 3.34Å; L4-N6 PolarHBondContact O-N 3.3Å; N6-V9 PolarHBondContact O-N 3.29Å; N6-M10 VanDerWaalsContact O-CG 3.26Å; N6-M10 WeakPolarHBondContact O-CG 3.46Å; N6-M10 PolarHBondContact O-N 2.87Å
7R73.4Confident73.3Confident169 Ų169119.4 Ų119.464%0.63860%0.604SS**Hα-helixtrans-67.6-41.2174.1-85.8-167.8169.2-155.6-1.7112.9F3 L4 R5 V9 M10 L11F3-R7 PolarHBondContact O-N 3.31Å; L4-R7 PolarHBondContact O-N 3.06Å; R5-R7 PolarHBondContact O-N 3.2Å; R7-V9 VanDerWaalsContact C-N 3.33Å; R7-M10 PolarHBondContact O-N 3.12Å; R7-L11 WeakPolarHBondContact O-CB 3.25Å; R7-L11 WeakPolarHBondContact O-CG 3.16Å; R7-L11 PolarHBondContact O-N 3.36Å
8L77.9Confident73.5Confident116 Ų116117.3 Ų117.361%0.60760%0.599SS**Hα-helixtrans-65-38.6176.1-76.3161.3000111.7L4 R5 L11 G12L4-L8 PolarHBondContact O-N 3.31Å; L4-L8 VanDerWaalsContact O-N 3.1Å; R5-L8 PolarHBondContact O-N 3.21Å; L8-L11 PolarHBondContact O-N 2.89Å; L8-G12 PolarHBondContact O-N 2.8Å
9V80.3Confident73.6Confident77 Ų77116.3 Ų116.347%0.46760%0.595SS.*Hα-helixtrans-64.6-43.7174171.80000111.1R5 N6 R7 G12 L13R5-V9 VanDerWaalsContact O-CG2 3.23Å; R5-V9 WeakPolarHBondContact O-CG2 3.38Å; R5-V9 PolarHBondContact O-N 2.75Å; N6-V9 PolarHBondContact O-N 3.29Å; R7-V9 VanDerWaalsContact C-N 3.33Å; V9-G12 PolarHBondContact O-N 3.43Å; V9-L13 HydrophobicContact CG1-CD1 3.95Å; V9-L13 HydrophobicContact CG1-CG 4.42Å; V9-L13 WeakPolarHBondContact O-CB 3.46Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.35Å; V9-L13 PolarHBondContact O-N 2.97Å
10M78.1Confident73.6Confident129 Ų129115.1 Ų115.164%0.63559%0.589SS**Hα-helixtrans-65-40.2177.4-72.2-66.2-71.400112.7N6 R7 L13 M14N6-M10 VanDerWaalsContact O-CG 3.26Å; N6-M10 WeakPolarHBondContact O-CG 3.46Å; N6-M10 PolarHBondContact O-N 2.87Å; R7-M10 PolarHBondContact O-N 3.12Å; M10-L13 PolarHBondContact O-N 2.88Å; M10-M14 WeakPolarHBondContact O-CB 3.35Å; M10-M14 PolarHBondContact O-N 3.03Å
11L81.2Confident73.5Confident106 Ų106115.6 Ų115.656%0.55559%0.592SS**Hα-helixtrans-64.2-42.1173.9-78.1162.9000111.5R7 L8 M14 L15R7-L11 WeakPolarHBondContact O-CB 3.25Å; R7-L11 WeakPolarHBondContact O-CG 3.16Å; R7-L11 PolarHBondContact O-N 3.36Å; L8-L11 PolarHBondContact O-N 2.89Å; L11-M14 PolarHBondContact O-N 3.32Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CG 3.4Å; L11-L15 PolarHBondContact O-N 3.42Å
12G82.8Confident74.4Confident39 Ų39113.5 Ų113.540%0.40257%0.574SS.*Hα-helixtrans-62-43.7175.100000112.6L8 V9 L15 L16L8-G12 PolarHBondContact O-N 2.8Å; V9-G12 PolarHBondContact O-N 3.43Å; G12-L15 PolarHBondContact O-N 2.95Å; G12-L16 WeakPolarHBondContact O-CB 3.32Å; G12-L16 PolarHBondContact O-N 3.29Å
13L83.6Confident75.1Confident100 Ų100114.1 Ų114.152%0.52458%0.576SS.*Hα-helixtrans-65.9-38.4176.4-72.5169.9000112.2V9 M10 L16 A17V9-L13 HydrophobicContact CG1-CD1 3.95Å; V9-L13 HydrophobicContact CG1-CG 4.42Å; V9-L13 WeakPolarHBondContact O-CB 3.46Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.35Å; V9-L13 PolarHBondContact O-N 2.97Å; M10-L13 PolarHBondContact O-N 2.88Å; L13-L16 PolarHBondContact O-N 3.47Å; L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 3.11Å
14M81.6Confident75.5Confident137 Ų137113 Ų11368%0.67558%0.577SS**Hα-helixtrans-68.4-41.2178.3-164.3176.7170.500111.6M10 L11 A17 T18M10-M14 WeakPolarHBondContact O-CB 3.35Å; M10-M14 PolarHBondContact O-N 3.03Å; L11-M14 PolarHBondContact O-N 3.32Å; M14-A17 PolarHBondContact O-N 2.98Å; M14-T18 PolarHBondContact O-N 2.79Å; M14-T18 PolarHBondContact O-OG1 2.9Å
15L83.4Confident75.5Confident120 Ų120112 Ų11263%0.62857%0.571SS**Hα-helixtrans-64.8-39.5173.1-80.4162.7000112.4L11 G12 T18 L19L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CG 3.4Å; L11-L15 PolarHBondContact O-N 3.42Å; G12-L15 PolarHBondContact O-N 2.95Å; L15-T18 WeakPolarHBondContact CA-OG1 3.49Å; L15-T18 PolarHBondContact O-N 3.41Å; L15-T18 PolarHBondContact O-OG1 3.36Å; L15-T18 VanDerWaalsContact O-OG1 3.08Å; L15-L19 WeakPolarHBondContact O-CB 3.43Å; L15-L19 PolarHBondContact O-N 3.28Å
16L80.7Confident74.3Confident96 Ų96109.4 Ų109.450%0.50358%0.577SS.*Hα-helixtrans-65.9-40.1175.9-166.978000111.1G12 L13 L19 L20G12-L16 WeakPolarHBondContact O-CB 3.32Å; G12-L16 PolarHBondContact O-N 3.29Å; L13-L16 PolarHBondContact O-N 3.47Å; L16-L19 PolarHBondContact O-N 3.12Å; L16-L20 HydrophobicContact CD2-CD1 4.46Å; L16-L20 HydrophobicContact CG-CD1 4.13Å; L16-L20 WeakPolarHBondContact O-CB 3.37Å; L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 2.9Å
17A79.7Confident72.9Confident49 Ų49109.9 Ų109.941%0.40559%0.588SS.*Hα-helixtrans-65.7-41.9177.100000112.1L13 M14 L20 L21L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 3.11Å; M14-A17 PolarHBondContact O-N 2.98Å; A17-L20 PolarHBondContact O-N 2.78Å; A17-L21 WeakPolarHBondContact O-CB 3.41Å; A17-L21 WeakPolarHBondContact O-CD1 3.46Å; A17-L21 PolarHBondContact O-N 3.34Å
18T75.6Confident71.5Confident83 Ų83109.7 Ų109.751%0.50960%0.598SS.*Hα-helixtrans-66.6-37.8173.629.90000112.5M14 L15 L21 Y22M14-T18 PolarHBondContact O-N 2.79Å; M14-T18 PolarHBondContact O-OG1 2.9Å; L15-T18 WeakPolarHBondContact CA-OG1 3.49Å; L15-T18 PolarHBondContact O-N 3.41Å; L15-T18 PolarHBondContact O-OG1 3.36Å; L15-T18 VanDerWaalsContact O-OG1 3.08Å; T18-L21 PolarHBondContact O-N 3.04Å; T18-Y22 WeakPolarHBondContact O-CB 3.45Å; T18-Y22 PolarHBondContact O-N 3.38Å
19L75.4Confident69.4Low98 Ų98114 Ų11451%0.51361%0.606SS.*Hα-helixtrans-65.4-42.3175.2-173.170.3000111.9L15 L16 Y22 L23L15-L19 WeakPolarHBondContact O-CB 3.43Å; L15-L19 PolarHBondContact O-N 3.28Å; L16-L19 PolarHBondContact O-N 3.12Å; L19-Y22 WeakPolarHBondContact O-CB 3.36Å; L19-Y22 PolarHBondContact O-N 3.45Å; L19-L23 HydrophobicContact CG-CD1 4.3Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 3.48Å
20L74.1Confident67.2Low91 Ų91118.7 Ų118.748%0.47662%0.623SS.*Hα-helixtrans-64.4-41.4175.5-79163000111.7L16 A17 Y22 L23 L24L16-L20 HydrophobicContact CD2-CD1 4.46Å; L16-L20 HydrophobicContact CG-CD1 4.13Å; L16-L20 WeakPolarHBondContact O-CB 3.37Å; L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 2.9Å; A17-L20 PolarHBondContact O-N 2.78Å; L20-Y22 VanDerWaalsContact C-N 3.26Å; L20-Y22 PolarHBondContact O-N 2.89Å; L20-L23 PolarHBondContact O-N 3.47Å; L20-L24 WeakPolarHBondContact O-CB 3.25Å; L20-L24 WeakPolarHBondContact O-CD1 3.22Å; L20-L24 VanDerWaalsContact O-CG 3.27Å; L20-L24 WeakPolarHBondContact O-CG 3.39Å; L20-L24 PolarHBondContact O-N 2.96Å
21L71.2Confident65Low126 Ų126118.7 Ų118.766%0.6663%0.625SS**Hα-helixtrans-60.6-36172.1-105.3126.3000112.2A17 T18 L25A17-L21 WeakPolarHBondContact O-CB 3.41Å; A17-L21 WeakPolarHBondContact O-CD1 3.46Å; A17-L21 PolarHBondContact O-N 3.34Å; T18-L21 PolarHBondContact O-N 3.04Å; L21-L25 PolarHBondContact O-N 3.38Å
22Y75.6Confident62.7Low173 Ų173120.8 Ų120.868%0.67864%0.637SS**Hα-helixtrans-70.7-39.5177-164.8-95.4000112.5T18 L19 L20 L24 L25T18-Y22 WeakPolarHBondContact O-CB 3.45Å; T18-Y22 PolarHBondContact O-N 3.38Å; L19-Y22 WeakPolarHBondContact O-CB 3.36Å; L19-Y22 PolarHBondContact O-N 3.45Å; L20-Y22 VanDerWaalsContact C-N 3.26Å; L20-Y22 PolarHBondContact O-N 2.89Å; Y22-L24 VanDerWaalsContact C-N 3.31Å; Y22-L24 PolarHBondContact O-N 3.21Å; Y22-L25 HydrophobicContact CD2-CD1 4.29Å; Y22-L25 WeakPolarHBondContact O-CB 3.3Å; Y22-L25 PolarHBondContact O-N 2.96Å
23L70.9Confident60.2Low126 Ų126128 Ų12866%0.6666%0.663SS**Hα-helixtrans-72.6-22177-69.1169.7000113.5L19 L20L19-L23 HydrophobicContact CG-CD1 4.3Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 3.48Å; L20-L23 PolarHBondContact O-N 3.47Å
24L62.6Low57.9Low141 Ų141131.2 Ų131.274%0.73868%0.675SS**THydrogen-bonded Turntrans-87.8-5.2176.1-73.5165000113.3L20 Y22L20-L24 WeakPolarHBondContact O-CB 3.25Å; L20-L24 WeakPolarHBondContact O-CD1 3.22Å; L20-L24 VanDerWaalsContact O-CG 3.27Å; L20-L24 WeakPolarHBondContact O-CG 3.39Å; L20-L24 PolarHBondContact O-N 2.96Å; Y22-L24 VanDerWaalsContact C-N 3.31Å; Y22-L24 PolarHBondContact O-N 3.21Å
25L62Low55.4Low106 Ų106130 Ų13056%0.55568%0.678SS**SBendtrans-70128.2167.7-70.8167.2000108.5L21 Y22 S27L21-L25 PolarHBondContact O-N 3.38Å; Y22-L25 HydrophobicContact CD2-CD1 4.29Å; Y22-L25 WeakPolarHBondContact O-CB 3.3Å; Y22-L25 PolarHBondContact O-N 2.96Å; L25-S27 PolarHBondContact O-N 3.3Å
26P43.8Very low52.9Low116 Ų116130 Ų13075%0.75369%0.687SS**PPolyproline II helixtrans-59.5117.6175.222.5-29.8000108.6I28P26-I28 PolarHBondContact O-N 3Å
27S37.8Very low51Low110 Ų110133.1 Ų133.177%0.76971%0.705SS**PPolyproline II helixtrans-56.1122.6174.5-45.30000108.1L25 R29L25-S27 PolarHBondContact O-N 3.3Å; S27-R29 VanDerWaalsContact C-N 3.33Å; S27-R29 PolarHBondContact O-N 3.09Å
28I43.8Very low48.6Very low165 Ų165137.8 Ų137.885%0.84672%0.718SS**  trans-61.1103.6167.2-65.1171.1000105.5P26 Q30P26-I28 PolarHBondContact O-N 3Å; I28-Q30 PolarHBondContact O-N 3.2Å; I28-Q30 VanDerWaalsContact O-N 3.14Å
29R33.3Very low46.6Very low206 Ų206138.9 Ų138.978%0.77774%0.735SS**  trans-59.2115.2168.2-90.9-176.4172.4174.8-3107S27 D31S27-R29 VanDerWaalsContact C-N 3.33Å; S27-R29 PolarHBondContact O-N 3.09Å; R29-D31 PolarHBondContact O-N 3.11Å
30Q33.3Very low44.2Very low176 Ų176143.7 Ų143.782%0.82275%0.747SS**  trans-68.389.7151.9-79-176.7-41.500106.4I28 N32I28-Q30 PolarHBondContact O-N 3.2Å; I28-Q30 VanDerWaalsContact O-N 3.14Å; Q30-N32 PolarHBondContact O-N 2.88Å
31D32.3Very low42.2Very low128 Ų128146.1 Ų146.168%0.68477%0.766SS**  trans-71.5107.6161.5-77.8-26.1000106.8R29 M33R29-D31 PolarHBondContact O-N 3.11Å; D31-M33 PolarHBondContact O-N 3.32Å; D31-M33 VanDerWaalsContact O-N 3.11Å
32N33.2Very low40.3Very low150 Ų150146.8 Ų146.880%0.80277%0.768SS**  trans-59.6107.2170.6-69.5-28.3000108.7Q30 E34Q30-N32 PolarHBondContact O-N 2.88Å; N32-E34 PolarHBondContact O-N 2.95Å
33M30.6Very low38.4Very low190 Ų190141.9 Ų141.994%0.93677%0.77SS**  trans-83.4106.4162.5-91-154.1-10800109.3D31D31-M33 PolarHBondContact O-N 3.32Å; D31-M33 VanDerWaalsContact O-N 3.11Å
34E34.4Very low36.5Very low169 Ų169143.5 Ų143.579%0.7978%0.779SS**  trans-66.3139.9154-85.7-83.7158.100109.5N32 S36N32-E34 PolarHBondContact O-N 2.95Å; E34-S36 PolarHBondContact O-N 3.37Å
35P30.6Very low34.9Very low112 Ų112143.3 Ų143.373%0.72778%0.784SS**  trans-80.1110178.830.7-29.5000110.4
36S30.6Very low33.7Very low118 Ų118141.7 Ų141.783%0.82579%0.792SS**  trans-85.5113.216653.10000110E34 E38E34-S36 PolarHBondContact O-N 3.37Å; S36-E38 PolarHBondContact O-N 3.22Å
37N39.7Very low33.1Very low163 Ų163142.7 Ų142.787%0.87280%0.796SS**  trans-8195.7168.5-88.7-31.6000109.3
38E29.5Very low32.9Very low146 Ų146142.4 Ų142.468%0.68280%0.8SS**  trans-139.7107.9156.5-77.2-164-17900110.2S36 R40S36-E38 PolarHBondContact O-N 3.22Å; E38-R40 PolarHBondContact O-N 3.03Å; E38-R40 IonicContact OE2-NE 3.82Å; E38-R40 IonicContact OE2-NH2 3.55Å
39A33.1Very low32.4Very low106 Ų106137.1 Ų137.188%0.87679%0.786SS**  trans-64.8118.4166.800000109.3
40R25.8Very low33Very low199 Ų199133.4 Ų133.475%0.75179%0.789SS**  trans-123.1108163.8-72.4-171.1-175.9-168.82.3109.7E38 I42E38-R40 PolarHBondContact O-N 3.03Å; E38-R40 IonicContact OE2-NE 3.82Å; E38-R40 IonicContact OE2-NH2 3.55Å; R40-I42 PolarHBondContact O-N 3.34Å
41T33.1Very low33.3Very low143 Ų143129.9 Ų129.988%0.87779%0.789SS**  trans-70.3114.8167.4-49.20000108.6
42I30.3Very low33.5Very low139 Ų139126.4 Ų126.471%0.71378%0.784SS**  trans-127.3109.7162.9-58.2-176.8000106.7R40R40-I42 PolarHBondContact O-N 3.34Å
43G35.9Very low34.1Very low70 Ų70124.8 Ų124.872%0.72278%0.782SS**  trans-70.8131.7172.100000110.1
44L30.5Very low34.9Very low161 Ų161120.6 Ų120.684%0.84377%0.769SS**  trans-146.3127.5163.2-105.3150.6000110
45V29.6Very low35.7Very low137 Ų137120 Ų12083%0.8377%0.77SS**  trans-45.2137-179173.80000112.5
46G36.7Very low37.3Very low71 Ų71117.5 Ų117.573%0.73275%0.749SS**  trans-63.7138.1-174.800000114.4
47V30.5Very low39.3Very low138 Ų138118.6 Ų118.684%0.83675%0.746SS**  trans-119.6111.5151.1-177.30000105.2G49V47-G49 PolarHBondContact O-N 3.48Å
48A34Very low41.5Very low103 Ų103112 Ų11285%0.85171%0.712SS**  trans-64.8102173.400000108.5
49G34.2Very low44.3Very low54 Ų54109.3 Ų109.356%0.55771%0.709SS**PPolyproline II helixtrans-66159.7163.900000110.5V47 A51V47-G49 PolarHBondContact O-N 3.48Å; G49-A51 PolarHBondContact O-N 3.28Å
50P44.9Very low47.3Very low129 Ų129106 Ų10684%0.83868%0.676SS**PPolyproline II helixtrans-58.2133.9176.326.7-31.7000108.4G52P50-G52 PolarHBondContact O-N 3.04Å
51A39.9Very low50.6Low101 Ų101103 Ų10384%0.83567%0.665SS**PPolyproline II helixtrans-48.9119.6178.300000109.1G49G49-A51 PolarHBondContact O-N 3.28Å
52G37.6Very low53.8Low55 Ų55100 Ų10057%0.56765%0.646SS**PPolyproline II helixtrans-53.8156.7168.200000109.6P50P50-G52 PolarHBondContact O-N 3.04Å
53P45.7Very low57Low117 Ų11794.3 Ų94.376%0.7662%0.622SS**PPolyproline II helixtrans-51.8138.6178.622.4-31.6000109I55P53-I55 PolarHBondContact O-N 3.17Å
54P46.7Very low59.9Low101 Ų10196.9 Ų96.966%0.65662%0.615SS**PPolyproline II helixtrans-52.3131.7179.620.8-30.8000108.5L56P54-L56 HydrophobicContact CB-CG 4.42Å; P54-L56 HydrophobicContact CG-CD1 4.39Å; P54-L56 HydrophobicContact CG-CG 4.35Å; P54-L56 PolarHBondContact O-N 3.13Å
55I51.9Low63.1Low158 Ų15890 Ų9081%0.8158%0.579SS**  trans-67.884.2171.5-57.1176000105.8P53 N57P53-I55 PolarHBondContact O-N 3.17Å; I55-N57 PolarHBondContact O-N 3.41Å
56L62.3Low66.3Low58 Ų5888.5 Ų88.530%0.30457%0.572SS.*  trans-74.7115.9172.8-75.4164.4000106.5P54 V58 A116P54-L56 HydrophobicContact CB-CG 4.42Å; P54-L56 HydrophobicContact CG-CD1 4.39Å; P54-L56 HydrophobicContact CG-CG 4.35Å; P54-L56 PolarHBondContact O-N 3.13Å; L56-V58 HydrophobicContact CB-CG2 4.43Å; L56-V58 PolarHBondContact O-N 2.9Å; L56-A116 HydrophobicContact CD1-CB 3.45Å; L56-A116 VanDerWaalsContact CD1-CB 3.45Å
57N72.5Confident68.9Low142 Ų14287.1 Ų87.176%0.75956%0.558SS**  trans-70.575.6176.7-78-18.6000110I55I55-N57 PolarHBondContact O-N 3.41Å
58V86.4Confident71.7Confident25 Ų2585.8 Ų85.815%0.15255%0.546CS..PPolyproline II helixtrans-82.1119.1170.9178.90000108.5L56 I60 A76 V79 A112 A115L56-V58 HydrophobicContact CB-CG2 4.43Å; L56-V58 PolarHBondContact O-N 2.9Å; V58-I60 HydrophobicContact CG1-CD1 4.14Å; V58-A76 HydrophobicContact CG1-CB 4.08Å; V58-V79 HydrophobicContact CG2-CG2 4.02Å; V58-A112 HydrophobicContact CB-CB 4.17Å; V58-A112 HydrophobicContact CG2-CB 4.27Å; V58-A115 HydrophobicContact CB-CB 4.39Å; V58-A115 HydrophobicContact CG1-CB 3.5Å; V58-A115 HydrophobicContact CG2-CB 3.94Å
59S88.8Confident74.6Confident88 Ų8881 Ų8162%0.61551%0.506SS*.PPolyproline II helixtrans-81.1128.6172.2-174.60000110.5
60I95.4Very high77.6Confident38 Ų3880.2 Ų80.220%0.19549%0.492CS..EExtended strand (participates in β ladder)trans-98.7120.9172-53.6-61.1000108.9V58 R74 E75 A76 E106 M111V58-I60 HydrophobicContact CG1-CD1 4.14Å; I60-R74 HydrophobicContact CG2-CB 4.01Å; I60-E75 CarbonylContact C-O 3.36Å; I60-E75 WeakPolarHBondContact CA-O 3.39Å; I60-A76 HydrophobicContact CD1-CB 3.47Å; I60-A76 VanDerWaalsContact CD1-CB 3.47Å; I60-E106 HydrophobicContact CG1-CG 4.15Å; I60-E106 HydrophobicContact CG2-CG 4.5Å; I60-M111 HydrophobicContact CD1-CB 3.77Å; I60-M111 HydrophobicContact CD1-CE 4.26Å; I60-M111 HydrophobicContact CD1-SD 4.43Å; I60-M111 HydrophobicContact CG2-CE 4.2Å; I60-M111 HydrophobicContact CG2-SD 4.39Å
61R96.8Very high80.1Confident135 Ų13574.1 Ų74.151%0.50945%0.452SS..EExtended strand (participates in β ladder)trans-95.4157.4174.9-60.9-179.5-176.1-170.22.7109.9R74 E75R61-R74 CarbonylContact O-C 3.5Å; R61-R74 VanDerWaalsContact O-CA 3.25Å; R61-R74 WeakPolarHBondContact O-CA 3.3Å; R61-E75 HydrophobicContact CB-CB 4.47Å; R61-E75 PolarHBondContact N-O 2.98Å; R61-E75 PolarHBondContact O-N 3.01Å
62T98.3Very high82.9Confident80 Ų8070 Ų7049%0.49142%0.415SS..EExtended strand (participates in β ladder)trans-122.1143173.463.20000109.8F72 F73 R74T62-F72 HydrophobicContact CG2-CE2 4.31Å; T62-F72 HydrophobicContact CG2-CZ 3.64Å; T62-F73 CarbonylContact C-O 3.59Å; T62-F73 WeakPolarHBondContact CA-O 3.3Å; T62-R74 HydrophobicContact CG2-CG 4.31Å
63G97.9Very high85.8Confident19 Ų1968.1 Ų68.120%0.19639%0.391CS..EExtended strand (participates in β ladder)trans-139.9167.5175.900000111.9F72 F73G63-F72 WeakPolarHBondContact O-CA 3.36Å; G63-F72 WeakPolarHBondContact O-CD2 3.42Å; G63-F73 VanDerWaalsContact C-CE1 3.48Å; G63-F73 PolarHBondContact N-O 3.14Å; G63-F73 WeakPolarHBondContact O-CD1 3.49Å; G63-F73 PolarHBondContact O-N 3.41Å
64Q97.8Very high88.4Confident124 Ų12463.8 Ų63.858%0.57936%0.36SS*.EExtended strand (participates in β ladder)trans-132.6133.1171-168.9173.322.800108.8L71Q64-L71 CarbonylContact C-O 3.59Å; Q64-L71 VanDerWaalsContact CA-O 3.28Å; Q64-L71 WeakPolarHBondContact CA-O 3.34Å
65L97.7Very high90.8Very high17 Ų1760.7 Ų60.79%0.08934%0.337CS..EExtended strand (participates in β ladder)trans-103.6137.7176.4-61175.5000109.7P70 L71 F73 F151 L155L65-P70 CarbonylContact O-C 3.18Å; L65-P70 VanDerWaalsContact O-CA 3.23Å; L65-P70 WeakPolarHBondContact O-CA 3.46Å; L65-P70 WeakPolarHBondContact O-CB 3.28Å; L65-L71 HydrophobicContact CB-CB 4.48Å; L65-L71 PolarHBondContact N-O 3.41Å; L65-L71 PolarHBondContact O-N 3.21Å; L65-F73 HydrophobicContact CD1-CD1 4.33Å; L65-F73 HydrophobicContact CD1-CE1 4.3Å; L65-F73 HydrophobicContact CD2-CE1 3.94Å; L65-F73 HydrophobicContact CG-CD1 4.02Å; L65-F73 HydrophobicContact CG-CE1 3.75Å; L65-F151 HydrophobicContact CD1-CD2 3.49Å; L65-F151 VanDerWaalsContact CD1-CD2 3.49Å; L65-F151 HydrophobicContact CD1-CE2 3.79Å; L65-F151 HydrophobicContact CD1-CG 4.37Å; L65-L155 HydrophobicContact CD1-CD1 4.24Å; L65-L155 HydrophobicContact CD1-CD2 4.37Å; L65-L155 HydrophobicContact CD1-CG 4.05Å; L65-L155 HydrophobicContact CD2-CD2 3.98Å; L65-L155 HydrophobicContact CD2-CG 4.48Å
66P95.7Very high93Very high105 Ų10553.1 Ų53.168%0.68230%0.298SS*.  trans-68.9165.5174.131.5-35.4000111.3R150P66-R150 PolarHBondContact O-NH1 2.94Å
67G92Very high94.7Very high43 Ų4351.8 Ų51.844%0.44329%0.291SS..SBendtrans136.7-175.8178.700000111.6P69 P70G67-P69 VanDerWaalsContact C-C 3.43Å; G67-P69 CarbonylContact C-O 3.56Å; G67-P69 CarbonylContact O-C 3.53Å; G67-P70 VanDerWaalsContact O-CD 3.3Å; G67-P70 WeakPolarHBondContact O-CD 3.5Å
68D90.1Very high95.8Very high110 Ų11045 Ų4559%0.58826%0.255SS*.SBendtrans-117.9109.4170.3-175.73.9000109.6S135D68-S135 PolarHBondContact OD1-OG 3.2Å
69P93.6Very high96.2Very high1 Ų144.4 Ų44.41%0.00625%0.251CS..SBendcis-71.5159.4-12.327.2-28.3000111.7G67 P127 P133 L138 L147G67-P69 VanDerWaalsContact C-C 3.43Å; G67-P69 CarbonylContact C-O 3.56Å; G67-P69 CarbonylContact O-C 3.53Å; P69-P127 HydrophobicContact CG-CB 3.72Å; P69-P127 HydrophobicContact CG-CG 3.45Å; P69-P127 VanDerWaalsContact CG-CG 3.45Å; P69-P133 HydrophobicContact CB-CG 4.31Å; P69-L138 HydrophobicContact CG-CD1 3.98Å; P69-L147 HydrophobicContact CG-CD1 4.45Å
70P97Very high96.3Very high39 Ų3942.6 Ų42.625%0.25323%0.234SC..  trans-64.2146.7163.329.4-34.4000109.4L65 G67 P133L65-P70 CarbonylContact O-C 3.18Å; L65-P70 VanDerWaalsContact O-CA 3.23Å; L65-P70 WeakPolarHBondContact O-CA 3.46Å; L65-P70 WeakPolarHBondContact O-CB 3.28Å; G67-P70 VanDerWaalsContact O-CD 3.3Å; G67-P70 WeakPolarHBondContact O-CD 3.5Å; P70-P133 HydrophobicContact CG-CG 3.7Å
71L98.3Very high95.9Very high0 Ų052.2 Ų52.20%027%0.268CS..EExtended strand (participates in β ladder)trans-116.7122.7-174.5-66.6176000111.1Q64 L65 M124 P127 L147 F151Q64-L71 CarbonylContact C-O 3.59Å; Q64-L71 VanDerWaalsContact CA-O 3.28Å; Q64-L71 WeakPolarHBondContact CA-O 3.34Å; L65-L71 HydrophobicContact CB-CB 4.48Å; L65-L71 PolarHBondContact N-O 3.41Å; L65-L71 PolarHBondContact O-N 3.21Å; L71-M124 HydrophobicContact CD1-CE 4.09Å; L71-P127 HydrophobicContact CD2-CG 3.95Å; L71-L147 HydrophobicContact CD1-CD2 4.19Å; L71-L147 HydrophobicContact CD1-CG 4.09Å; L71-L147 HydrophobicContact CD2-CD1 4.22Å; L71-F151 HydrophobicContact CD1-CB 4.2Å; L71-F151 HydrophobicContact CD1-CD2 4.05Å
72F98.8Very high95.5Very high15 Ų1553.3 Ų53.37%0.06628%0.279CS..EExtended strand (participates in β ladder)trans-82143.1166-178.7-92.2000110.3T62 G63 R74 D125 K131 S132T62-F72 HydrophobicContact CG2-CE2 4.31Å; T62-F72 HydrophobicContact CG2-CZ 3.64Å; G63-F72 WeakPolarHBondContact O-CA 3.36Å; G63-F72 WeakPolarHBondContact O-CD2 3.42Å; F72-R74 HydrophobicContact CE1-CG 3.97Å; F72-R74 HydrophobicContact CZ-CG 4.49Å; F72-D125 HydrophobicContact CB-CB 4.41Å; F72-D125 HydrophobicContact CD1-CB 4.43Å; F72-D125 VanDerWaalsContact CD1-OD2 3.26Å; F72-D125 WeakPolarHBondContact CD1-OD2 3.42Å; F72-D125 PolarHBondContact O-N 3.21Å; F72-K131 HydrophobicContact CB-CB 3.65Å; F72-K131 HydrophobicContact CD1-CB 3.89Å; F72-K131 HydrophobicContact CD1-CD 4.16Å; F72-K131 HydrophobicContact CD1-CG 4.43Å; F72-K131 HydrophobicContact CD2-CB 3.86Å; F72-K131 HydrophobicContact CD2-CD 3.75Å; F72-K131 HydrophobicContact CD2-CG 4.47Å; F72-K131 HydrophobicContact CE1-CD 3.98Å; F72-K131 HydrophobicContact CE2-CB 4.49Å; F72-K131 HydrophobicContact CE2-CD 3.55Å; F72-K131 HydrophobicContact CG-CB 3.51Å; F72-K131 HydrophobicContact CG-CD 4.05Å; F72-K131 HydrophobicContact CG-CG 4.35Å; F72-K131 HydrophobicContact CZ-CD 3.67Å; F72-S132 PolarHBondContact N-OG 2.86Å
73F98.8Very high94.9Very high15 Ų1551.1 Ų51.17%0.06627%0.272CS..EExtended strand (participates in β ladder)trans-148.2163.1174.373.2-79.6000112.5T62 G63 L65 E75 L122 A123 M124 F151 L155T62-F73 CarbonylContact C-O 3.59Å; T62-F73 WeakPolarHBondContact CA-O 3.3Å; G63-F73 VanDerWaalsContact C-CE1 3.48Å; G63-F73 PolarHBondContact N-O 3.14Å; G63-F73 WeakPolarHBondContact O-CD1 3.49Å; G63-F73 PolarHBondContact O-N 3.41Å; L65-F73 HydrophobicContact CD1-CD1 4.33Å; L65-F73 HydrophobicContact CD1-CE1 4.3Å; L65-F73 HydrophobicContact CD2-CE1 3.94Å; L65-F73 HydrophobicContact CG-CD1 4.02Å; L65-F73 HydrophobicContact CG-CE1 3.75Å; F73-E75 HydrophobicContact CD2-CB 4.44Å; F73-E75 HydrophobicContact CE2-CB 4.12Å; F73-L122 HydrophobicContact CD2-CD2 4.39Å; F73-L122 HydrophobicContact CE2-CD2 4.28Å; F73-A123 CarbonylContact C-O 3.59Å; F73-A123 WeakPolarHBondContact CA-O 3.32Å; F73-A123 WeakPolarHBondContact CB-O 3.22Å; F73-M124 HydrophobicContact CB-CB 4.42Å; F73-F151 HydrophobicContact CB-CE2 3.71Å; F73-F151 HydrophobicContact CB-CZ 3.93Å; F73-F151 HydrophobicContact CD1-CE2 4.17Å; F73-F151 HydrophobicContact CD2-CZ 4.39Å; F73-F151 AromaticContact CG-CE2 3.9Å; F73-F151 HydrophobicContact CG-CE2 3.9Å; F73-F151 HydrophobicContact CG-CZ 4.14Å; F73-L155 HydrophobicContact CD2-CD1 4.25Å; F73-L155 HydrophobicContact CE1-CD2 4.22Å; F73-L155 HydrophobicContact CE2-CD1 4.03Å; F73-L155 HydrophobicContact CE2-CD2 4.1Å; F73-L155 HydrophobicContact CZ-CD1 4.24Å; F73-L155 HydrophobicContact CZ-CD2 3.66Å
74R98.8Very high94.6Very high27 Ų2755.6 Ų55.610%0.10229%0.288CS..EExtended strand (participates in β ladder)trans-114.8144.9171.9-60.4-176.7172.6-81.3-5.8109.6I60 R61 T62 F72 E106 M111 L122 A123I60-R74 HydrophobicContact CG2-CB 4.01Å; R61-R74 CarbonylContact O-C 3.5Å; R61-R74 VanDerWaalsContact O-CA 3.25Å; R61-R74 WeakPolarHBondContact O-CA 3.3Å; T62-R74 HydrophobicContact CG2-CG 4.31Å; F72-R74 HydrophobicContact CE1-CG 3.97Å; F72-R74 HydrophobicContact CZ-CG 4.49Å; R74-E106 WeakPolarHBondContact CD-OE2 3.49Å; R74-E106 IonicContact CZ-OE2 3.24Å; R74-E106 IonicContact NE-OE2 2.73Å; R74-E106 PolarHBondContact NE-OE2 2.64Å; R74-E106 IonicContact NH1-OE1 3.06Å; R74-E106 IonicContact NH1-OE2 2.69Å; R74-E106 PolarHBondContact NH1-OE2 3.24Å; R74-E106 IonicContact NH2-OE2 3.2Å; R74-M111 HydrophobicContact CB-CE 3.75Å; R74-M111 HydrophobicContact CB-SD 3.98Å; R74-M111 WeakPolarHBondContact O-CE 3.49Å; R74-L122 CarbonylContact O-C 3.55Å; R74-L122 WeakPolarHBondContact O-CA 3.49Å; R74-A123 HydrophobicContact CB-CB 4.45Å; R74-A123 PolarHBondContact N-O 3.31Å; R74-A123 PolarHBondContact O-N 3.16Å
75E98.7Very high94.4Very high35 Ų3555.5 Ų55.516%0.16429%0.288CS..EExtended strand (participates in β ladder)trans-129.9131.7-179.7176.2175.7-129.800111I60 R61 F73 L77 Q120 A121 L122I60-E75 CarbonylContact C-O 3.36Å; I60-E75 WeakPolarHBondContact CA-O 3.39Å; R61-E75 HydrophobicContact CB-CB 4.47Å; R61-E75 PolarHBondContact N-O 2.98Å; R61-E75 PolarHBondContact O-N 3.01Å; F73-E75 HydrophobicContact CD2-CB 4.44Å; F73-E75 HydrophobicContact CE2-CB 4.12Å; E75-L77 HydrophobicContact CG-CD2 4.32Å; E75-L77 HydrophobicContact CG-CG 4.21Å; E75-Q120 PolarHBondContact OE1-NE2 3.11Å; E75-A121 CarbonylContact C-O 3.49Å; E75-A121 VanDerWaalsContact CA-O 3.28Å; E75-A121 WeakPolarHBondContact CA-O 3.42Å; E75-L122 HydrophobicContact CB-CD2 3.91Å; E75-L122 HydrophobicContact CG-CD2 3.72Å
76A98Very high94.3Very high0 Ų057.6 Ų57.60%030%0.299CS..EExtended strand (participates in β ladder)trans-113.8122.2163.700000109V58 I60 M111 A115 Q120 A121V58-A76 HydrophobicContact CG1-CB 4.08Å; I60-A76 HydrophobicContact CD1-CB 3.47Å; I60-A76 VanDerWaalsContact CD1-CB 3.47Å; A76-M111 HydrophobicContact CB-CB 4.04Å; A76-M111 HydrophobicContact CB-CE 4.07Å; A76-A115 HydrophobicContact CB-CB 3.97Å; A76-Q120 WeakPolarHBondContact O-CA 3.41Å; A76-A121 HydrophobicContact CB-CB 4.17Å; A76-A121 PolarHBondContact N-O 3.41Å; A76-A121 PolarHBondContact O-N 3.03Å
77L96.9Very high94.2Very high29 Ų2960 Ų6015%0.15231%0.305CS..  trans-88.4142.4174.1-67.1164000109.3E75 Q85 A115 Q120E75-L77 HydrophobicContact CG-CD2 4.32Å; E75-L77 HydrophobicContact CG-CG 4.21Å; L77-Q85 HydrophobicContact CB-CG 4.21Å; L77-A115 WeakPolarHBondContact O-CB 3.48Å; L77-Q120 HydrophobicContact CD2-CG 4.27Å
78P95.6Very high94.3Very high0 Ų060 Ų600%030%0.297CS..  trans-69.2146.5-17727.4-32.1000111.6Q85 I86 P88 A115 G118P78-Q85 WeakPolarHBondContact O-CA 3.09Å; P78-I86 HydrophobicContact CB-CD1 4.42Å; P78-I86 HydrophobicContact CB-CG1 3.91Å; P78-I86 HydrophobicContact CG-CG1 4.18Å; P78-I86 WeakPolarHBondContact CG-O 3.42Å; P78-I86 PolarHBondContact O-N 3.44Å; P78-P88 HydrophobicContact CG-CB 3.98Å; P78-A115 WeakPolarHBondContact CA-O 3.2Å; P78-G118 VanDerWaalsContact CB-C 3.43Å
79V94.9Very high94.5Very high13 Ų1358.7 Ų58.78%0.07929%0.286CS..BIsolated β-bridgetrans-127.9154.4179.3-620000110.9V58 Q84 A115V58-V79 HydrophobicContact CG2-CG2 4.02Å; V79-Q84 CarbonylContact C-O 3.2Å; V79-Q84 WeakPolarHBondContact CA-O 3.16Å; V79-A115 PolarHBondContact N-O 3.13Å; V79-A115 VanDerWaalsContact N-O 3.11Å
80D91.3Very high94.6Very high49 Ų4959.2 Ų59.226%0.26229%0.289SS..  trans-81.9-172.2168.36915.5000112.1E82 G83 Q84 I86D80-E82 PolarHBondContact O-N 2.93Å; D80-E82 WeakPolarHBondContact OD1-CA 3.28Å; D80-E82 WeakPolarHBondContact OD1-CB 3.41Å; D80-E82 PolarHBondContact OD1-N 3.4Å; D80-G83 PolarHBondContact O-N 3.35Å; D80-G83 VanDerWaalsContact O-N 3.12Å; D80-G83 PolarHBondContact OD1-N 3.36Å; D80-Q84 PolarHBondContact N-O 3.34Å; D80-Q84 PolarHBondContact OD1-N 3.29Å; D80-I86 HydrophobicContact CB-CG2 3.93Å
81R87.2Confident94.6Very high241 Ų24159.6 Ų59.691%0.90929%0.287SS*.THydrogen-bonded Turntrans-67-20.4-179.4-65.9-177.1178.5-178.6-0.3113.5G83R81-G83 VanDerWaalsContact C-N 3.35Å
82E88.1Confident94.6Very high157 Ų15759.6 Ų59.673%0.73429%0.287SS*.THydrogen-bonded Turntrans-92.6-2.4178.1-62.5176.6-169.800111.5D80 Q84D80-E82 PolarHBondContact O-N 2.93Å; D80-E82 WeakPolarHBondContact OD1-CA 3.28Å; D80-E82 WeakPolarHBondContact OD1-CB 3.41Å; D80-E82 PolarHBondContact OD1-N 3.4Å; E82-Q84 VanDerWaalsContact C-N 3.33Å; E82-Q84 HydrophobicContact CB-CG 4.26Å; E82-Q84 PolarHBondContact OE2-NE2 3.01Å
83G86.3Confident94.6Very high34 Ų3458.9 Ų58.935%0.35128%0.284SS..SBendtrans829.8-177.200000113.5D80 R81D80-G83 PolarHBondContact O-N 3.35Å; D80-G83 VanDerWaalsContact O-N 3.12Å; D80-G83 PolarHBondContact OD1-N 3.36Å; R81-G83 VanDerWaalsContact C-N 3.35Å
84Q91Very high94.6Very high114 Ų11458.2 Ų58.253%0.53328%0.281SS..  trans-77.9138.6176.7-55.4-174.212.700110V79 D80 E82 I86V79-Q84 CarbonylContact C-O 3.2Å; V79-Q84 WeakPolarHBondContact CA-O 3.16Å; D80-Q84 PolarHBondContact N-O 3.34Å; D80-Q84 PolarHBondContact OD1-N 3.29Å; E82-Q84 VanDerWaalsContact C-N 3.33Å; E82-Q84 HydrophobicContact CB-CG 4.26Å; E82-Q84 PolarHBondContact OE2-NE2 3.01Å; Q84-I86 PolarHBondContact O-N 3.33Å
85Q93.7Very high94.6Very high122 Ų12256.9 Ų56.957%0.5728%0.276SS*.BIsolated β-bridgetrans-66.1131.3178.7-172.2-174.3-26.100110.7L77 P78L77-Q85 HydrophobicContact CB-CG 4.21Å; P78-Q85 WeakPolarHBondContact O-CA 3.09Å
86I94.6Very high94.6Very high61 Ų6155.3 Ų55.331%0.31327%0.269SS..  trans-119173.4177.760.1173.6000111.5P78 D80 Q84P78-I86 HydrophobicContact CB-CD1 4.42Å; P78-I86 HydrophobicContact CB-CG1 3.91Å; P78-I86 HydrophobicContact CG-CG1 4.18Å; P78-I86 WeakPolarHBondContact CG-O 3.42Å; P78-I86 PolarHBondContact O-N 3.44Å; D80-I86 HydrophobicContact CB-CG2 3.93Å; Q84-I86 PolarHBondContact O-N 3.33Å
87L94.3Very high94.6Very high154 Ų15455.4 Ų55.481%0.80627%0.27SS*.  trans-73.4142.9170.4-67.1178.6000111
88P94.3Very high94.7Very high43 Ų4360.2 Ų60.228%0.27929%0.291SS..  trans-70132.5179.127.7-33.5000112.9P78 Q120P78-P88 HydrophobicContact CG-CB 3.98Å; P88-Q120 HydrophobicContact CB-CB 3.77Å; P88-Q120 HydrophobicContact CG-CB 4.44Å
89K94.1Very high94.8Very high83 Ų8364.4 Ų64.436%0.36133%0.326SS..SBendtrans-66.1-44.8168.5-63.2169.6-178.5173.30110.7N117 G118 Y119 K266K89-N117 PolarHBondContact NZ-O 2.88Å; K89-G118 WeakPolarHBondContact CB-O 3.46Å; K89-G118 WeakPolarHBondContact CG-O 3.41Å; K89-G118 PolarHBondContact N-O 2.8Å; K89-Y119 HydrophobicContact CB-CD1 4.13Å; K89-Y119 HydrophobicContact CB-CE1 4.08Å; K89-Y119 HydrophobicContact CD-CE1 4.27Å; K89-K266 HydrophobicContact CD-CD 4.24Å
90L95.8Very high95Very high12 Ų1266 Ų666%0.06333%0.332CS..EExtended strand (participates in β ladder)trans-147.6157174.5-65.7173000109.1Y119 Q120 V161 R184 L265 I269L90-Y119 HydrophobicContact CB-CD1 3.92Å; L90-Y119 HydrophobicContact CB-CE1 4.34Å; L90-Y119 HydrophobicContact CD1-CE1 4.3Å; L90-Y119 HydrophobicContact CG-CE1 4.48Å; L90-Y119 WeakPolarHBondContact O-CA 3.39Å; L90-Q120 PolarHBondContact O-N 2.85Å; L90-V161 HydrophobicContact CD1-CG2 4.24Å; L90-R184 HydrophobicContact CD2-CG 4.28Å; L90-L265 HydrophobicContact CD1-CB 3.96Å; L90-I269 HydrophobicContact CD2-CD1 4.47Å
91Q97.4Very high95.3Very high48 Ų4865.3 Ų65.322%0.22433%0.33CS..EExtended strand (participates in β ladder)trans-104130.4173.3-73.2151.615.800109.4Q120 V157 A160 V161Q91-Q120 HydrophobicContact CG-CB 4.18Å; Q91-Q120 VanDerWaalsContact CG-OE1 3.23Å; Q91-V157 HydrophobicContact CB-CG1 4.14Å; Q91-A160 CarbonylContact O-C 3.56Å; Q91-A160 WeakPolarHBondContact O-CA 3.47Å; Q91-V161 PolarHBondContact O-N 3.3Å
92M98.3Very high95.9Very high0 Ų053.9 Ų53.90%029%0.286CS..EExtended strand (participates in β ladder)trans-109.1127.3176.6-66.4-150.366.700110.2L94 L114 Q120 L122 V161 L163 L258 L262M92-L94 HydrophobicContact CB-CD1 3.73Å; M92-L94 WeakPolarHBondContact O-CD1 3.25Å; M92-L114 HydrophobicContact CB-CD1 4.38Å; M92-L114 HydrophobicContact CG-CD1 4.45Å; M92-L114 HydrophobicContact SD-CD1 3.67Å; M92-L114 HydrophobicContact SD-CD2 3.34Å; M92-L114 WeakPolarHBondContact SD-CD2 3.28Å; M92-L114 HydrophobicContact SD-CG 4.14Å; M92-Q120 PolarHBondContact N-O 2.87Å; M92-L122 WeakPolarHBondContact O-CB 3.48Å; M92-L122 PolarHBondContact O-N 3.32Å; M92-V161 CarbonylContact C-O 3.58Å; M92-V161 WeakPolarHBondContact CA-O 3.19Å; M92-V161 HydrophobicContact CE-CB 4.02Å; M92-V161 HydrophobicContact CE-CG1 3.72Å; M92-V161 HydrophobicContact CG-CB 4.26Å; M92-L163 HydrophobicContact CE-CB 4.29Å; M92-L163 HydrophobicContact CE-CD1 4.22Å; M92-L258 HydrophobicContact CE-CD1 4.15Å; M92-L262 HydrophobicContact CE-CD1 4.42Å; M92-L262 HydrophobicContact CE-CD2 4.09Å; M92-L262 HydrophobicContact CG-CD2 4.46Å; M92-L262 HydrophobicContact SD-CD1 3.39Å; M92-L262 WeakPolarHBondContact SD-CD1 3.49Å; M92-L262 HydrophobicContact SD-CD2 3.79Å; M92-L262 HydrophobicContact SD-CG 4.21Å
93V98.8Very high96.4Very high0 Ų051 Ų510%027%0.272CS..EExtended strand (participates in β ladder)trans-100.6119.4168.9177.20000108L95 L122 F151 M152 V157 A160 V161 L162 L163V93-L95 HydrophobicContact CG1-CD2 4.26Å; V93-L122 CarbonylContact C-O 3.58Å; V93-L122 WeakPolarHBondContact CA-O 3.48Å; V93-F151 HydrophobicContact CG1-CD1 4.11Å; V93-F151 HydrophobicContact CG1-CE1 3.96Å; V93-F151 HydrophobicContact CG2-CD1 4.49Å; V93-F151 HydrophobicContact CG2-CE1 4.27Å; V93-M152 HydrophobicContact CG2-CG 4.07Å; V93-V157 HydrophobicContact CG2-CG1 4.43Å; V93-A160 HydrophobicContact CG2-CB 3.91Å; V93-V161 PolarHBondContact N-O 2.95Å; V93-L162 HydrophobicContact CB-CD1 3.98Å; V93-L162 HydrophobicContact CG1-CD1 3.83Å; V93-L163 PolarHBondContact O-N 3.49Å
94L98.9Very high97Very high0 Ų050.2 Ų50.20%026%0.26CS..EExtended strand (participates in β ladder)trans-108116.5-176.1-63.175.5000109.2M92 W105 T110 L114 A121 L122 A123 M124 L163M92-L94 HydrophobicContact CB-CD1 3.73Å; M92-L94 WeakPolarHBondContact O-CD1 3.25Å; L94-W105 HydrophobicContact CB-CG 4.4Å; L94-W105 HydrophobicContact CD2-CB 4.13Å; L94-W105 HydrophobicContact CD2-CD2 3.99Å; L94-W105 HydrophobicContact CD2-CE3 4.47Å; L94-W105 HydrophobicContact CD2-CG 3.85Å; L94-T110 HydrophobicContact CD2-CG2 4.13Å; L94-L114 HydrophobicContact CD1-CD1 4.26Å; L94-L114 HydrophobicContact CD2-CD1 4.13Å; L94-A121 HydrophobicContact CD1-CB 3.94Å; L94-L122 PolarHBondContact N-O 3.08Å; L94-A123 HydrophobicContact CB-CB 4.01Å; L94-A123 WeakPolarHBondContact O-CA 3.48Å; L94-M124 PolarHBondContact O-N 3.48Å; L94-M124 VanDerWaalsContact O-N 3.15Å; L94-L163 HydrophobicContact CG-CB 4.46Å; L94-L163 HydrophobicContact CG-CD1 4.34Å
95L98.9Very high97.3Very high0 Ų044.8 Ų44.80%023%0.234CC..  trans-92.6162.2167.7-48.9-173.5000109.5V93 W105 M124 L126 I148 L162 L163 P165V93-L95 HydrophobicContact CG1-CD2 4.26Å; L95-W105 VanDerWaalsContact O-CZ2 3.31Å; L95-W105 WeakPolarHBondContact O-CZ2 3.32Å; L95-W105 PolarHBondContact O-NE1 3.14Å; L95-M124 HydrophobicContact CD2-CG 3.58Å; L95-M124 HydrophobicContact CD2-SD 3.4Å; L95-M124 WeakPolarHBondContact CD2-SD 3.36Å; L95-L126 HydrophobicContact CB-CD1 4.44Å; L95-L126 HydrophobicContact CD2-CD2 4.26Å; L95-I148 HydrophobicContact CD1-CD1 4.15Å; L95-L162 HydrophobicContact CD1-CD1 4.09Å; L95-L162 HydrophobicContact CD2-CD1 4.34Å; L95-L162 HydrophobicContact CG-CD1 3.95Å; L95-L163 WeakPolarHBondContact CB-O 3.4Å; L95-L163 PolarHBondContact N-O 3.19Å; L95-P165 WeakPolarHBondContact O-CD 3.5Å
96H98.8Very high97.5Very high1 Ų142.2 Ų42.21%0.00522%0.222CC..  trans-117.2162.1177.66975000112.2F100 M124 L126 Y129 S168H96-F100 HydrophobicContact CB-CB 4.17Å; H96-F100 PolarHBondContact CE1-O 3.01Å; H96-F100 PolarHBondContact ND1-O 3.47Å; H96-M124 PolarHBondContact CD2-O 3.32Å; H96-L126 PolarHBondContact NE2-N 2.75Å; H96-Y129 VanDerWaalsContact CE1-CB 3.45Å; H96-Y129 WeakPolarHBondContact CE1-CB 3.32Å; H96-Y129 AromaticContact CE1-CD1 3.86Å; H96-Y129 AromaticContact CE1-CD2 3.84Å; H96-Y129 AromaticContact CE1-CG 3.44Å; H96-Y129 VanDerWaalsContact CE1-CG 3.44Å; H96-S168 WeakPolarHBondContact O-CB 3.2Å
97G98.2Very high97.7Very high2 Ų245.3 Ų45.32%0.02124%0.236CC..  trans-82.7168.6172.900000111.4A99 F100G97-A99 PolarHBondContact O-N 2.85Å; G97-A99 VanDerWaalsContact O-N 3.1Å; G97-F100 PolarHBondContact O-N 2.91Å
98Q98.2Very high97.8Very high131 Ų13139.5 Ų39.561%0.61221%0.205SC*.THydrogen-bonded Turntrans-56.4-30.2-175.2175173.3-14.200114.4F100 Y129 M167Q98-F100 VanDerWaalsContact C-N 3.3Å; Q98-Y129 HydrophobicContact CG-CE1 4.27Å; Q98-Y129 WeakPolarHBondContact O-CE1 3.47Å; Q98-M167 HydrophobicContact CB-CB 3.77Å; Q98-M167 HydrophobicContact CB-CG 4.04Å; Q98-M167 HydrophobicContact CB-SD 4.23Å
99A97.7Very high98Very high88 Ų8838.5 Ų38.573%0.72720%0.203SC*.THydrogen-bonded Turntrans-85.80.6179.900000114G97G97-A99 PolarHBondContact O-N 2.85Å; G97-A99 VanDerWaalsContact O-N 3.1Å
100F98.4Very high98.2Very high47 Ų4734.6 Ų34.621%0.20619%0.186CC..  trans-132.3177.6-164.5-58.2-60.4000111.9H96 G97 Q98 T104 A245 Y247 M248H96-F100 HydrophobicContact CB-CB 4.17Å; H96-F100 PolarHBondContact CE1-O 3.01Å; H96-F100 PolarHBondContact ND1-O 3.47Å; G97-F100 PolarHBondContact O-N 2.91Å; Q98-F100 VanDerWaalsContact C-N 3.3Å; F100-T104 HydrophobicContact CB-CG2 4.21Å; F100-T104 HydrophobicContact CD1-CG2 3.62Å; F100-T104 HydrophobicContact CE1-CG2 4.25Å; F100-T104 HydrophobicContact CG-CG2 4.06Å; F100-A245 HydrophobicContact CE2-CB 3.97Å; F100-A245 HydrophobicContact CZ-CB 4.03Å; F100-Y247 WeakPolarHBondContact CD2-OH 3.4Å; F100-Y247 VanDerWaalsContact CE2-OH 3.32Å; F100-Y247 WeakPolarHBondContact CE2-OH 3.32Å; F100-M248 HydrophobicContact CE1-CE 4.35Å; F100-M248 HydrophobicContact CE1-CG 4.37Å; F100-M248 HydrophobicContact CZ-CG 3.97Å
101T98.8Very high98.3Very high34 Ų3434 Ų3421%0.20918%0.183CC..  trans-143.7178.917663.60000109.7K103 T104 D125T101-K103 PolarHBondContact O-N 2.92Å; T101-K103 WeakPolarHBondContact OG1-CB 3.48Å; T101-K103 PolarHBondContact OG1-N 3.34Å; T101-T104 PolarHBondContact N-OG1 2.89Å; T101-T104 WeakPolarHBondContact O-CB 3.24Å; T101-T104 PolarHBondContact O-N 3.27Å; T101-T104 VanDerWaalsContact O-N 3.08Å; T101-T104 PolarHBondContact O-OG1 2.99Å; T101-D125 WeakPolarHBondContact CB-OD1 3.43Å
102S98.8Very high98.3Very high0 Ų033.5 Ų33.50%019%0.186CC..Hα-helixtrans-54-32.7169.762.50000112.8T104 W105 A123 D125S102-T104 PolarHBondContact O-N 3.12Å; S102-W105 WeakPolarHBondContact O-CB 3.37Å; S102-W105 PolarHBondContact O-N 3.03Å; S102-W105 VanDerWaalsContact O-N 3.12Å; S102-A123 VanDerWaalsContact CB-O 3.28Å; S102-A123 WeakPolarHBondContact CB-O 3.37Å; S102-D125 WeakPolarHBondContact CA-OD1 3.48Å; S102-D125 WeakPolarHBondContact CB-OD1 3.46Å; S102-D125 PolarHBondContact N-OD1 3.12Å; S102-D125 PolarHBondContact OG-OD1 3.49Å
103K98.6Very high98.3Very high98 Ų9835.6 Ų35.643%0.42620%0.199SC..Hα-helixtrans-62.4-31.4178.6-163.3-172-173.9-1370112.2T101 W105 E106 E107T101-K103 PolarHBondContact O-N 2.92Å; T101-K103 WeakPolarHBondContact OG1-CB 3.48Å; T101-K103 PolarHBondContact OG1-N 3.34Å; K103-W105 VanDerWaalsContact C-N 3.25Å; K103-W105 PolarHBondContact O-N 2.88Å; K103-E106 WeakPolarHBondContact O-CB 3.25Å; K103-E106 PolarHBondContact O-N 2.67Å; K103-E106 VanDerWaalsContact O-N 3.15Å; K103-E107 WeakPolarHBondContact CD-OE1 3.38Å; K103-E107 WeakPolarHBondContact CE-OE1 3.34Å; K103-E107 HydrophobicContact CG-CG 4.31Å; K103-E107 IonicContact NZ-OE1 2.64Å; K103-E107 PolarHBondContact NZ-OE1 2.82Å; K103-E107 WeakPolarHBondContact O-CG 3.33Å; K103-E107 PolarHBondContact O-N 2.82Å
104T98.6Very high98.2Very high16 Ų1635.6 Ų35.610%0.09820%0.199CC..Hα-helixtrans-61.9-35.7176.6-52.70000111.4F100 T101 S102 E106 E107 L108 M248F100-T104 HydrophobicContact CB-CG2 4.21Å; F100-T104 HydrophobicContact CD1-CG2 3.62Å; F100-T104 HydrophobicContact CE1-CG2 4.25Å; F100-T104 HydrophobicContact CG-CG2 4.06Å; T101-T104 PolarHBondContact N-OG1 2.89Å; T101-T104 WeakPolarHBondContact O-CB 3.24Å; T101-T104 PolarHBondContact O-N 3.27Å; T101-T104 VanDerWaalsContact O-N 3.08Å; T101-T104 PolarHBondContact O-OG1 2.99Å; S102-T104 PolarHBondContact O-N 3.12Å; T104-E106 VanDerWaalsContact C-N 3.33Å; T104-E107 PolarHBondContact O-N 3.15Å; T104-L108 WeakPolarHBondContact O-CB 3.31Å; T104-L108 PolarHBondContact O-N 2.84Å; T104-M248 HydrophobicContact CG2-CE 3.99Å; T104-M248 HydrophobicContact CG2-SD 3.81Å
105W98.7Very high98.2Very high1 Ų135.6 Ų35.60%0.00420%0.199CC..Hα-helixtrans-69.8-31176.8-65.3124.9000113.5L94 L95 S102 K103 L108 T110 M111 A123 L163 P165 I189 Y247 F254L94-W105 HydrophobicContact CB-CG 4.4Å; L94-W105 HydrophobicContact CD2-CB 4.13Å; L94-W105 HydrophobicContact CD2-CD2 3.99Å; L94-W105 HydrophobicContact CD2-CE3 4.47Å; L94-W105 HydrophobicContact CD2-CG 3.85Å; L95-W105 VanDerWaalsContact O-CZ2 3.31Å; L95-W105 WeakPolarHBondContact O-CZ2 3.32Å; L95-W105 PolarHBondContact O-NE1 3.14Å; S102-W105 WeakPolarHBondContact O-CB 3.37Å; S102-W105 PolarHBondContact O-N 3.03Å; S102-W105 VanDerWaalsContact O-N 3.12Å; K103-W105 VanDerWaalsContact C-N 3.25Å; K103-W105 PolarHBondContact O-N 2.88Å; W105-L108 HydrophobicContact CE3-CD2 4.3Å; W105-L108 HydrophobicContact CZ3-CD2 4.2Å; W105-T110 HydrophobicContact CE3-CG2 4Å; W105-T110 HydrophobicContact CZ3-CG2 4.41Å; W105-T110 PolarHBondContact O-N 3.28Å; W105-T110 VanDerWaalsContact O-N 3.12Å; W105-M111 HydrophobicContact CB-CG 3.95Å; W105-M111 HydrophobicContact CB-SD 4.3Å; W105-M111 PolarHBondContact O-N 2.9Å; W105-A123 HydrophobicContact CB-CB 4.41Å; W105-L163 HydrophobicContact CH2-CD2 3.57Å; W105-L163 HydrophobicContact CZ2-CD2 3.46Å; W105-L163 VanDerWaalsContact CZ2-CD2 3.46Å; W105-P165 HydrophobicContact CZ2-CG 3.94Å; W105-I189 HydrophobicContact CH2-CD1 4.39Å; W105-Y247 HydrophobicContact CH2-CD1 4.5Å; W105-Y247 AromaticContact CH2-CD2 3.76Å; W105-Y247 HydrophobicContact CH2-CD2 3.76Å; W105-Y247 HydrophobicContact CH2-CE1 4.4Å; W105-Y247 AromaticContact CH2-CE2 3.64Å; W105-Y247 HydrophobicContact CH2-CE2 3.64Å; W105-Y247 HydrophobicContact CH2-CG 4.19Å; W105-Y247 AromaticContact CH2-CZ 3.97Å; W105-Y247 HydrophobicContact CZ2-CE2 4.4Å; W105-Y247 AromaticContact CZ3-CD2 3.58Å; W105-Y247 HydrophobicContact CZ3-CD2 3.58Å; W105-Y247 AromaticContact CZ3-CE2 3.74Å; W105-Y247 HydrophobicContact CZ3-CE2 3.74Å; W105-Y247 HydrophobicContact CZ3-CG 4.24Å; W105-F254 HydrophobicContact CZ3-CE1 4.11Å; W105-F254 HydrophobicContact CZ3-CZ 4.49Å
106E97.9Very high98.1Very high68 Ų6837.1 Ų37.132%0.31821%0.212SC..Hα-helixtrans-69.8-52171.7171.9177.5-178.500110.8I60 R74 K103 T104 L108 G109 M111I60-E106 HydrophobicContact CG1-CG 4.15Å; I60-E106 HydrophobicContact CG2-CG 4.5Å; R74-E106 WeakPolarHBondContact CD-OE2 3.49Å; R74-E106 IonicContact CZ-OE2 3.24Å; R74-E106 IonicContact NE-OE2 2.73Å; R74-E106 PolarHBondContact NE-OE2 2.64Å; R74-E106 IonicContact NH1-OE1 3.06Å; R74-E106 IonicContact NH1-OE2 2.69Å; R74-E106 PolarHBondContact NH1-OE2 3.24Å; R74-E106 IonicContact NH2-OE2 3.2Å; K103-E106 WeakPolarHBondContact O-CB 3.25Å; K103-E106 PolarHBondContact O-N 2.67Å; K103-E106 VanDerWaalsContact O-N 3.15Å; T104-E106 VanDerWaalsContact C-N 3.33Å; E106-L108 VanDerWaalsContact C-N 3.31Å; E106-L108 PolarHBondContact O-N 2.9Å; E106-G109 WeakPolarHBondContact O-CA 3.48Å; E106-G109 PolarHBondContact O-N 3.2Å; E106-M111 HydrophobicContact CB-SD 4.17Å
107E97.6Very high97.9Very high126 Ų12639.8 Ų39.859%0.58923%0.226SC*.Hα-helixtrans-64.8-33.3-178.2-71.1172.1168.500112.9K103 T104 G109K103-E107 WeakPolarHBondContact CD-OE1 3.38Å; K103-E107 WeakPolarHBondContact CE-OE1 3.34Å; K103-E107 HydrophobicContact CG-CG 4.31Å; K103-E107 IonicContact NZ-OE1 2.64Å; K103-E107 PolarHBondContact NZ-OE1 2.82Å; K103-E107 WeakPolarHBondContact O-CG 3.33Å; K103-E107 PolarHBondContact O-N 2.82Å; T104-E107 PolarHBondContact O-N 3.15Å; E107-G109 PolarHBondContact O-N 2.69Å
108L97.6Very high97.8Very high32 Ų3239.8 Ų39.817%0.16823%0.226CC..THydrogen-bonded Turntrans-71.7-11.4174-164.764.5000112.8T104 W105 E106 T110 Y247 M248 P251 H255T104-L108 WeakPolarHBondContact O-CB 3.31Å; T104-L108 PolarHBondContact O-N 2.84Å; W105-L108 HydrophobicContact CE3-CD2 4.3Å; W105-L108 HydrophobicContact CZ3-CD2 4.2Å; E106-L108 VanDerWaalsContact C-N 3.31Å; E106-L108 PolarHBondContact O-N 2.9Å; L108-T110 PolarHBondContact O-N 2.69Å; L108-Y247 HydrophobicContact CD2-CD2 3.66Å; L108-Y247 HydrophobicContact CD2-CE2 4.38Å; L108-M248 HydrophobicContact CD1-CE 4.24Å; L108-M248 HydrophobicContact CD1-SD 3.84Å; L108-M248 HydrophobicContact CD2-SD 3.86Å; L108-M248 HydrophobicContact CG-SD 4.38Å; L108-P251 HydrophobicContact CD1-CB 3.83Å; L108-P251 HydrophobicContact CD1-CG 4.48Å; L108-P251 HydrophobicContact CG-CB 4.26Å; L108-H255 PolarHBondContact O-CE1 2.9Å
109G97.8Very high97.7Very high22 Ų2233.6 Ų33.623%0.22720%0.197CC..THydrogen-bonded Turntrans77.9-0-175.500000114.4E106 E107 M111 A112 V113E106-G109 WeakPolarHBondContact O-CA 3.48Å; E106-G109 PolarHBondContact O-N 3.2Å; E107-G109 PolarHBondContact O-N 2.69Å; G109-M111 VanDerWaalsContact C-N 3.29Å; G109-M111 PolarHBondContact O-N 2.73Å; G109-A112 PolarHBondContact O-N 2.69Å; G109-A112 VanDerWaalsContact O-N 3.12Å; G109-V113 WeakPolarHBondContact O-CG2 3.45Å; G109-V113 PolarHBondContact O-N 3.21Å
110T98.6Very high97.7Very high1 Ų130.4 Ų30.41%0.00617%0.167CC..Hα-helixtrans-55.6-44.3-179.6-56.70000111.6L94 W105 L108 A112 V113 L114 F254 H255L94-T110 HydrophobicContact CD2-CG2 4.13Å; W105-T110 HydrophobicContact CE3-CG2 4Å; W105-T110 HydrophobicContact CZ3-CG2 4.41Å; W105-T110 PolarHBondContact O-N 3.28Å; W105-T110 VanDerWaalsContact O-N 3.12Å; L108-T110 PolarHBondContact O-N 2.69Å; T110-A112 VanDerWaalsContact C-N 3.35Å; T110-A112 PolarHBondContact O-N 2.9Å; T110-V113 PolarHBondContact O-N 3.3Å; T110-L114 HydrophobicContact CG2-CD1 4.11Å; T110-L114 HydrophobicContact CG2-CG 4.48Å; T110-L114 WeakPolarHBondContact O-CB 3.4Å; T110-L114 VanDerWaalsContact O-CG 3.28Å; T110-L114 WeakPolarHBondContact O-CG 3.37Å; T110-L114 PolarHBondContact O-N 3Å; T110-F254 HydrophobicContact CG2-CE1 4.48Å; T110-H255 WeakPolarHBondContact CA-NE2 3.14Å; T110-H255 PolarHBondContact OG1-NE2 3.41Å
111M98.5Very high97.7Very high0 Ų028.2 Ų28.20%016%0.157CC..Hα-helixtrans-64.3-40179.8-65.9-173.674.100112.3I60 R74 A76 W105 E106 G109 L114 A115 A121 A123I60-M111 HydrophobicContact CD1-CB 3.77Å; I60-M111 HydrophobicContact CD1-CE 4.26Å; I60-M111 HydrophobicContact CD1-SD 4.43Å; I60-M111 HydrophobicContact CG2-CE 4.2Å; I60-M111 HydrophobicContact CG2-SD 4.39Å; R74-M111 HydrophobicContact CB-CE 3.75Å; R74-M111 HydrophobicContact CB-SD 3.98Å; R74-M111 WeakPolarHBondContact O-CE 3.49Å; A76-M111 HydrophobicContact CB-CB 4.04Å; A76-M111 HydrophobicContact CB-CE 4.07Å; W105-M111 HydrophobicContact CB-CG 3.95Å; W105-M111 HydrophobicContact CB-SD 4.3Å; W105-M111 PolarHBondContact O-N 2.9Å; E106-M111 HydrophobicContact CB-SD 4.17Å; G109-M111 VanDerWaalsContact C-N 3.29Å; G109-M111 PolarHBondContact O-N 2.73Å; M111-L114 PolarHBondContact O-N 3.11Å; M111-A115 WeakPolarHBondContact O-CB 3.36Å; M111-A115 PolarHBondContact O-N 3.44Å; M111-A121 HydrophobicContact CB-CB 4.34Å; M111-A121 HydrophobicContact CE-CB 4.25Å; M111-A121 HydrophobicContact CG-CB 4.24Å; M111-A123 HydrophobicContact CE-CB 4.17Å; M111-A123 HydrophobicContact SD-CB 3.94Å
112A97.2Very high97.7Very high36 Ų3626.6 Ų26.630%0.29815%0.148SC..Hα-helixtrans-67-43.5176.600000111.6V58 G109 T110 L114 A115 A116V58-A112 HydrophobicContact CB-CB 4.17Å; V58-A112 HydrophobicContact CG2-CB 4.27Å; G109-A112 PolarHBondContact O-N 2.69Å; G109-A112 VanDerWaalsContact O-N 3.12Å; T110-A112 VanDerWaalsContact C-N 3.35Å; T110-A112 PolarHBondContact O-N 2.9Å; A112-L114 VanDerWaalsContact C-N 3.34Å; A112-L114 PolarHBondContact O-N 2.76Å; A112-A115 PolarHBondContact O-N 3.31Å; A112-A116 VanDerWaalsContact O-CB 3.25Å; A112-A116 WeakPolarHBondContact O-CB 3.26Å; A112-A116 PolarHBondContact O-N 2.77Å
113V97.5Very high97.7Very high44 Ų4426.6 Ų26.627%0.26715%0.148SC..Hα-helixtrans-60.7-43.1176.4170.90000111.2G109 T110 N117 H255 I259G109-V113 WeakPolarHBondContact O-CG2 3.45Å; G109-V113 PolarHBondContact O-N 3.21Å; T110-V113 PolarHBondContact O-N 3.3Å; V113-N117 PolarHBondContact O-N 3.28Å; V113-N117 PolarHBondContact O-ND2 3.18Å; V113-H255 HydrophobicContact CG1-CB 4.19Å; V113-I259 HydrophobicContact CG1-CD1 4.16Å; V113-I259 HydrophobicContact CG1-CG1 4.05Å
114L97.8Very high97.7Very high1 Ų122 Ų221%0.00513%0.127CC..Hα-helixtrans-62.3-48.9176.6-72.3174000111.8M92 L94 T110 M111 A112 A116 N117 G118 Y119 A121 L258 I259 L262M92-L114 HydrophobicContact CB-CD1 4.38Å; M92-L114 HydrophobicContact CG-CD1 4.45Å; M92-L114 HydrophobicContact SD-CD1 3.67Å; M92-L114 HydrophobicContact SD-CD2 3.34Å; M92-L114 WeakPolarHBondContact SD-CD2 3.28Å; M92-L114 HydrophobicContact SD-CG 4.14Å; L94-L114 HydrophobicContact CD1-CD1 4.26Å; L94-L114 HydrophobicContact CD2-CD1 4.13Å; T110-L114 HydrophobicContact CG2-CD1 4.11Å; T110-L114 HydrophobicContact CG2-CG 4.48Å; T110-L114 WeakPolarHBondContact O-CB 3.4Å; T110-L114 VanDerWaalsContact O-CG 3.28Å; T110-L114 WeakPolarHBondContact O-CG 3.37Å; T110-L114 PolarHBondContact O-N 3Å; M111-L114 PolarHBondContact O-N 3.11Å; A112-L114 VanDerWaalsContact C-N 3.34Å; A112-L114 PolarHBondContact O-N 2.76Å; L114-A116 PolarHBondContact O-N 3.33Å; L114-N117 CarbonylContact O-C 3.53Å; L114-N117 PolarHBondContact O-N 2.87Å; L114-N117 VanDerWaalsContact O-N 3.09Å; L114-G118 PolarHBondContact O-N 2.94Å; L114-Y119 CarbonylContact C-O 3.5Å; L114-Y119 HydrophobicContact CD2-CD2 4.18Å; L114-Y119 WeakPolarHBondContact O-CB 3.1Å; L114-Y119 PolarHBondContact O-N 3.46Å; L114-A121 HydrophobicContact CB-CB 4.15Å; L114-A121 HydrophobicContact CD1-CB 3.78Å; L114-L258 HydrophobicContact CD2-CD2 4.1Å; L114-I259 HydrophobicContact CD2-CD1 4.04Å; L114-L262 HydrophobicContact CD2-CD1 3.54Å
115A97.7Very high97.7Very high0 Ų021.3 Ų21.30%012%0.124CC..Hα-helixtrans-60.4-45.1178.900000112.7V58 A76 L77 P78 V79 M111 A112 N117 G118 Y119V58-A115 HydrophobicContact CB-CB 4.39Å; V58-A115 HydrophobicContact CG1-CB 3.5Å; V58-A115 HydrophobicContact CG2-CB 3.94Å; A76-A115 HydrophobicContact CB-CB 3.97Å; L77-A115 WeakPolarHBondContact O-CB 3.48Å; P78-A115 WeakPolarHBondContact CA-O 3.2Å; V79-A115 PolarHBondContact N-O 3.13Å; V79-A115 VanDerWaalsContact N-O 3.11Å; M111-A115 WeakPolarHBondContact O-CB 3.36Å; M111-A115 PolarHBondContact O-N 3.44Å; A112-A115 PolarHBondContact O-N 3.31Å; A115-N117 PolarHBondContact O-N 2.78Å; A115-G118 PolarHBondContact O-N 2.84Å; A115-Y119 VanDerWaalsContact CA-O 3.3Å; A115-Y119 WeakPolarHBondContact CA-O 3.48Å; A115-Y119 PolarHBondContact N-O 3.41Å
116A96.4Very high97.7Very high32 Ų3221.3 Ų21.326%0.26412%0.123SC..Hα-helixtrans-60.5-24.7175.900000113.5L56 A112 L114L56-A116 HydrophobicContact CD1-CB 3.45Å; L56-A116 VanDerWaalsContact CD1-CB 3.45Å; A112-A116 VanDerWaalsContact O-CB 3.25Å; A112-A116 WeakPolarHBondContact O-CB 3.26Å; A112-A116 PolarHBondContact O-N 2.77Å; L114-A116 PolarHBondContact O-N 3.33Å
117N95.6Very high97.7Very high57 Ų5718.2 Ų18.231%0.30511%0.109SC..THydrogen-bonded Turntrans-96.78.4177.3-75-82.4000113.1K89 V113 L114 A115 Y119 I259K89-N117 PolarHBondContact NZ-O 2.88Å; V113-N117 PolarHBondContact O-N 3.28Å; V113-N117 PolarHBondContact O-ND2 3.18Å; L114-N117 CarbonylContact O-C 3.53Å; L114-N117 PolarHBondContact O-N 2.87Å; L114-N117 VanDerWaalsContact O-N 3.09Å; A115-N117 PolarHBondContact O-N 2.78Å; N117-Y119 HydrophobicContact CB-CD2 3.8Å; N117-Y119 HydrophobicContact CB-CE2 3.72Å; N117-I259 HydrophobicContact CB-CD1 3.71Å; N117-I259 HydrophobicContact CB-CG2 4.49Å
118G95.4Very high97.7Very high2 Ų214.2 Ų14.22%0.02110%0.102CC..THydrogen-bonded Turntrans86.516.5175.400000114.6P78 K89 L114 A115P78-G118 VanDerWaalsContact CB-C 3.43Å; K89-G118 WeakPolarHBondContact CB-O 3.46Å; K89-G118 WeakPolarHBondContact CG-O 3.41Å; K89-G118 PolarHBondContact N-O 2.8Å; L114-G118 PolarHBondContact O-N 2.94Å; A115-G118 PolarHBondContact O-N 2.84Å
119Y96.9Very high97.7Very high0 Ų015.8 Ų15.80%011%0.106CC..EExtended strand (participates in β ladder)trans-105.5136.3177.2-51.8-66.7000111K89 L90 L114 A115 N117 I259 L262 D263K89-Y119 HydrophobicContact CB-CD1 4.13Å; K89-Y119 HydrophobicContact CB-CE1 4.08Å; K89-Y119 HydrophobicContact CD-CE1 4.27Å; L90-Y119 HydrophobicContact CB-CD1 3.92Å; L90-Y119 HydrophobicContact CB-CE1 4.34Å; L90-Y119 HydrophobicContact CD1-CE1 4.3Å; L90-Y119 HydrophobicContact CG-CE1 4.48Å; L90-Y119 WeakPolarHBondContact O-CA 3.39Å; L114-Y119 CarbonylContact C-O 3.5Å; L114-Y119 HydrophobicContact CD2-CD2 4.18Å; L114-Y119 WeakPolarHBondContact O-CB 3.1Å; L114-Y119 PolarHBondContact O-N 3.46Å; A115-Y119 VanDerWaalsContact CA-O 3.3Å; A115-Y119 WeakPolarHBondContact CA-O 3.48Å; A115-Y119 PolarHBondContact N-O 3.41Å; N117-Y119 HydrophobicContact CB-CD2 3.8Å; N117-Y119 HydrophobicContact CB-CE2 3.72Å; Y119-I259 HydrophobicContact CD2-CD1 4.04Å; Y119-I259 HydrophobicContact CE2-CD1 3.86Å; Y119-L262 HydrophobicContact CD2-CD1 3.83Å; Y119-L262 HydrophobicContact CE1-CB 3.85Å; Y119-L262 HydrophobicContact CE2-CB 3.84Å; Y119-L262 HydrophobicContact CE2-CD1 3.82Å; Y119-L262 HydrophobicContact CG-CD1 4.2Å; Y119-L262 VanDerWaalsContact CZ-CB 3.43Å; Y119-L262 VanDerWaalsContact OH-C 3.26Å; Y119-L262 WeakPolarHBondContact OH-CB 3.43Å; Y119-D263 WeakPolarHBondContact OH-CA 2.85Å; Y119-D263 PolarHBondContact OH-N 2.91Å; Y119-D263 VanDerWaalsContact OH-N 3.16Å; Y119-D263 PolarHBondContact OH-OD1 3.48Å
120Q97.8Very high97.7Very high22 Ų2217.3 Ų17.310%0.10312%0.122CC..EExtended strand (participates in β ladder)trans-80.6128.8170.6179178.710.600109.1E75 A76 L77 P88 L90 Q91 M92 L122E75-Q120 PolarHBondContact OE1-NE2 3.11Å; A76-Q120 WeakPolarHBondContact O-CA 3.41Å; L77-Q120 HydrophobicContact CD2-CG 4.27Å; P88-Q120 HydrophobicContact CB-CB 3.77Å; P88-Q120 HydrophobicContact CG-CB 4.44Å; L90-Q120 PolarHBondContact O-N 2.85Å; Q91-Q120 HydrophobicContact CG-CB 4.18Å; Q91-Q120 VanDerWaalsContact CG-OE1 3.23Å; M92-Q120 PolarHBondContact N-O 2.87Å; Q120-L122 HydrophobicContact CG-CD2 4.46Å; Q120-L122 HydrophobicContact CG-CG 4.3Å
121A98.6Very high97.7Very high0 Ų023.4 Ų23.40%015%0.148CC..EExtended strand (participates in β ladder)trans-108.1124.9177.100000110.3E75 A76 L94 M111 L114E75-A121 CarbonylContact C-O 3.49Å; E75-A121 VanDerWaalsContact CA-O 3.28Å; E75-A121 WeakPolarHBondContact CA-O 3.42Å; A76-A121 HydrophobicContact CB-CB 4.17Å; A76-A121 PolarHBondContact N-O 3.41Å; A76-A121 PolarHBondContact O-N 3.03Å; L94-A121 HydrophobicContact CD1-CB 3.94Å; M111-A121 HydrophobicContact CB-CB 4.34Å; M111-A121 HydrophobicContact CE-CB 4.25Å; M111-A121 HydrophobicContact CG-CB 4.24Å; L114-A121 HydrophobicContact CB-CB 4.15Å; L114-A121 HydrophobicContact CD1-CB 3.78Å
122L98.8Very high97.7Very high1 Ų123.6 Ų23.61%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-120.397.7178.1-63.5169.9000108.6F73 R74 E75 M92 V93 L94 Q120 F151 L155 V157F73-L122 HydrophobicContact CD2-CD2 4.39Å; F73-L122 HydrophobicContact CE2-CD2 4.28Å; R74-L122 CarbonylContact O-C 3.55Å; R74-L122 WeakPolarHBondContact O-CA 3.49Å; E75-L122 HydrophobicContact CB-CD2 3.91Å; E75-L122 HydrophobicContact CG-CD2 3.72Å; M92-L122 WeakPolarHBondContact O-CB 3.48Å; M92-L122 PolarHBondContact O-N 3.32Å; V93-L122 CarbonylContact C-O 3.58Å; V93-L122 WeakPolarHBondContact CA-O 3.48Å; L94-L122 PolarHBondContact N-O 3.08Å; Q120-L122 HydrophobicContact CG-CD2 4.46Å; Q120-L122 HydrophobicContact CG-CG 4.3Å; L122-F151 HydrophobicContact CB-CE1 4.15Å; L122-F151 HydrophobicContact CB-CZ 4.26Å; L122-L155 HydrophobicContact CD1-CB 4.49Å; L122-L155 HydrophobicContact CD1-CD1 4.02Å; L122-L155 HydrophobicContact CD2-CD1 4.08Å; L122-L155 HydrophobicContact CG-CD1 4.49Å; L122-V157 HydrophobicContact CD1-CG2 3.46Å; L122-V157 VanDerWaalsContact CD1-CG2 3.46Å
123A98.9Very high97.7Very high0 Ų024.8 Ų24.80%015%0.154CC..EExtended strand (participates in β ladder)trans-100.3114.9-177.600000110.5F73 R74 L94 S102 W105 M111F73-A123 CarbonylContact C-O 3.59Å; F73-A123 WeakPolarHBondContact CA-O 3.32Å; F73-A123 WeakPolarHBondContact CB-O 3.22Å; R74-A123 HydrophobicContact CB-CB 4.45Å; R74-A123 PolarHBondContact N-O 3.31Å; R74-A123 PolarHBondContact O-N 3.16Å; L94-A123 HydrophobicContact CB-CB 4.01Å; L94-A123 WeakPolarHBondContact O-CA 3.48Å; S102-A123 VanDerWaalsContact CB-O 3.28Å; S102-A123 WeakPolarHBondContact CB-O 3.37Å; W105-A123 HydrophobicContact CB-CB 4.41Å; M111-A123 HydrophobicContact CE-CB 4.17Å; M111-A123 HydrophobicContact SD-CB 3.94Å
124M98.4Very high97.5Very high0 Ų028.3 Ų28.30%017%0.171CC..EExtended strand (participates in β ladder)trans-93.2148.1178.360.3161.847.900112.1L71 F73 L94 L95 H96 L126 L147 F151L71-M124 HydrophobicContact CD1-CE 4.09Å; F73-M124 HydrophobicContact CB-CB 4.42Å; L94-M124 PolarHBondContact O-N 3.48Å; L94-M124 VanDerWaalsContact O-N 3.15Å; L95-M124 HydrophobicContact CD2-CG 3.58Å; L95-M124 HydrophobicContact CD2-SD 3.4Å; L95-M124 WeakPolarHBondContact CD2-SD 3.36Å; H96-M124 PolarHBondContact CD2-O 3.32Å; M124-L126 HydrophobicContact SD-CD2 3.68Å; M124-L147 HydrophobicContact CE-CD2 4.32Å; M124-L147 HydrophobicContact SD-CD2 4.24Å; M124-F151 HydrophobicContact CB-CD2 4.39Å; M124-F151 HydrophobicContact CB-CE2 3.92Å; M124-F151 HydrophobicContact CB-CZ 4.03Å; M124-F151 HydrophobicContact CE-CB 3.4Å; M124-F151 VanDerWaalsContact CE-CB 3.4Å; M124-F151 HydrophobicContact CE-CD1 3.45Å; M124-F151 VanDerWaalsContact CE-CD1 3.45Å; M124-F151 HydrophobicContact CE-CD2 3.22Å; M124-F151 HydrophobicContact CE-CE1 3.96Å; M124-F151 HydrophobicContact CE-CE2 3.78Å; M124-F151 HydrophobicContact CE-CG 3.04Å; M124-F151 HydrophobicContact CE-CZ 4.11Å
125D98.8Very high97.2Very high3 Ų329 Ų292%0.01618%0.177CC..PPolyproline II helixtrans-81.6119.4158.4-76-8.9000108F72 T101 S102 G130 K131 S132F72-D125 HydrophobicContact CB-CB 4.41Å; F72-D125 HydrophobicContact CD1-CB 4.43Å; F72-D125 VanDerWaalsContact CD1-OD2 3.26Å; F72-D125 WeakPolarHBondContact CD1-OD2 3.42Å; F72-D125 PolarHBondContact O-N 3.21Å; T101-D125 WeakPolarHBondContact CB-OD1 3.43Å; S102-D125 WeakPolarHBondContact CA-OD1 3.48Å; S102-D125 WeakPolarHBondContact CB-OD1 3.46Å; S102-D125 PolarHBondContact N-OD1 3.12Å; S102-D125 PolarHBondContact OG-OD1 3.49Å; D125-G130 WeakPolarHBondContact OD2-CA 3.41Å; D125-K131 PolarHBondContact OD2-N 2.58Å; D125-S132 WeakPolarHBondContact CB-OG 3.43Å; D125-S132 VanDerWaalsContact O-CB 3.28Å; D125-S132 WeakPolarHBondContact O-CB 3.22Å; D125-S132 PolarHBondContact O-OG 3.21Å
126L98.4Very high96.8Very high0 Ų035.2 Ų35.20%021%0.205CC..PPolyproline II helixtrans-66.6151.4174-70.1170000109.7L95 H96 M124 G128 Y129 M167 Y171L95-L126 HydrophobicContact CB-CD1 4.44Å; L95-L126 HydrophobicContact CD2-CD2 4.26Å; H96-L126 PolarHBondContact NE2-N 2.75Å; M124-L126 HydrophobicContact SD-CD2 3.68Å; L126-G128 PolarHBondContact O-N 2.77Å; L126-Y129 HydrophobicContact CB-CD2 4.2Å; L126-Y129 WeakPolarHBondContact O-CB 3.36Å; L126-Y129 PolarHBondContact O-N 3.34Å; L126-M167 HydrophobicContact CD1-CE 3.42Å; L126-M167 VanDerWaalsContact CD1-CE 3.42Å; L126-Y171 HydrophobicContact CD1-CD2 4.4Å; L126-Y171 HydrophobicContact CD1-CE2 4.37Å; L126-Y171 HydrophobicContact CD2-CD1 4.32Å; L126-Y171 HydrophobicContact CD2-CD2 4.37Å; L126-Y171 HydrophobicContact CD2-CE1 4.36Å; L126-Y171 HydrophobicContact CD2-CE2 4.43Å; L126-Y171 HydrophobicContact CD2-CG 4.34Å
127P97.8Very high96.4Very high4 Ų435.4 Ų35.43%0.02621%0.207CC..THydrogen-bonded Turntrans-52.6132.7179.8-35.244.6000113.8P69 L71 Y129 L138 L147P69-P127 HydrophobicContact CG-CB 3.72Å; P69-P127 HydrophobicContact CG-CG 3.45Å; P69-P127 VanDerWaalsContact CG-CG 3.45Å; L71-P127 HydrophobicContact CD2-CG 3.95Å; P127-Y129 VanDerWaalsContact C-N 3.32Å; P127-Y129 VanDerWaalsContact O-CD2 3.24Å; P127-Y129 WeakPolarHBondContact O-CD2 3.23Å; P127-L138 HydrophobicContact CB-CD1 3.47Å; P127-L138 VanDerWaalsContact CB-CD1 3.47Å; P127-L138 HydrophobicContact CG-CD1 3.29Å; P127-L147 HydrophobicContact CG-CD1 3.58Å
128G97.3Very high96Very high41 Ų4133.3 Ų33.342%0.42320%0.196SC..THydrogen-bonded Turntrans84.61.3-17500000114.4L126 S132 P133L126-G128 PolarHBondContact O-N 2.77Å; G128-S132 PolarHBondContact N-O 3.14Å; G128-S132 VanDerWaalsContact N-O 3.15Å; G128-P133 PolarHBondContact N-O 3.04Å; G128-P133 VanDerWaalsContact N-O 3.15Å
129Y98.3Very high95.7Very high65 Ų6539.8 Ų39.826%0.25522%0.224SC..SBendtrans-124.5153.4-179.4-59.7-94.2000112H96 Q98 L126 P127 K131 S132 M167H96-Y129 VanDerWaalsContact CE1-CB 3.45Å; H96-Y129 WeakPolarHBondContact CE1-CB 3.32Å; H96-Y129 AromaticContact CE1-CD1 3.86Å; H96-Y129 AromaticContact CE1-CD2 3.84Å; H96-Y129 AromaticContact CE1-CG 3.44Å; H96-Y129 VanDerWaalsContact CE1-CG 3.44Å; Q98-Y129 HydrophobicContact CG-CE1 4.27Å; Q98-Y129 WeakPolarHBondContact O-CE1 3.47Å; L126-Y129 HydrophobicContact CB-CD2 4.2Å; L126-Y129 WeakPolarHBondContact O-CB 3.36Å; L126-Y129 PolarHBondContact O-N 3.34Å; P127-Y129 VanDerWaalsContact C-N 3.32Å; P127-Y129 VanDerWaalsContact O-CD2 3.24Å; P127-Y129 WeakPolarHBondContact O-CD2 3.23Å; Y129-K131 PolarHBondContact O-N 2.84Å; Y129-K131 VanDerWaalsContact O-N 3.09Å; Y129-S132 PolarHBondContact N-O 2.81Å; Y129-S132 PolarHBondContact O-N 2.94Å; Y129-M167 HydrophobicContact CE2-SD 3.92Å; Y129-M167 PolarHBondContact OH-SD 3.35Å; Y129-M167 VanDerWaalsContact OH-SD 3.39Å
130G97.9Very high95.5Very high55 Ų5543 Ų4357%0.56724%0.243SC*.THydrogen-bonded Turntrans54-116.4176.700000111.8D125D125-G130 WeakPolarHBondContact OD2-CA 3.41Å
131K98.3Very high95.3Very high129 Ų12945.7 Ų45.756%0.56126%0.256SS*.THydrogen-bonded Turntrans-106.62.8179.5-65-177.8178.8-172.90113.9F72 D125 Y129F72-K131 HydrophobicContact CB-CB 3.65Å; F72-K131 HydrophobicContact CD1-CB 3.89Å; F72-K131 HydrophobicContact CD1-CD 4.16Å; F72-K131 HydrophobicContact CD1-CG 4.43Å; F72-K131 HydrophobicContact CD2-CB 3.86Å; F72-K131 HydrophobicContact CD2-CD 3.75Å; F72-K131 HydrophobicContact CD2-CG 4.47Å; F72-K131 HydrophobicContact CE1-CD 3.98Å; F72-K131 HydrophobicContact CE2-CB 4.49Å; F72-K131 HydrophobicContact CE2-CD 3.55Å; F72-K131 HydrophobicContact CG-CB 3.51Å; F72-K131 HydrophobicContact CG-CD 4.05Å; F72-K131 HydrophobicContact CG-CG 4.35Å; F72-K131 HydrophobicContact CZ-CD 3.67Å; D125-K131 PolarHBondContact OD2-N 2.58Å; Y129-K131 PolarHBondContact O-N 2.84Å; Y129-K131 VanDerWaalsContact O-N 3.09Å
132S98.4Very high95.2Very high4 Ų449.5 Ų49.53%0.02827%0.274CS..SBendtrans-89.4119.9171.9-69.20000109.3F72 D125 G128 Y129F72-S132 PolarHBondContact N-OG 2.86Å; D125-S132 WeakPolarHBondContact CB-OG 3.43Å; D125-S132 VanDerWaalsContact O-CB 3.28Å; D125-S132 WeakPolarHBondContact O-CB 3.22Å; D125-S132 PolarHBondContact O-OG 3.21Å; G128-S132 PolarHBondContact N-O 3.14Å; G128-S132 VanDerWaalsContact N-O 3.15Å; Y129-S132 PolarHBondContact N-O 2.81Å; Y129-S132 PolarHBondContact O-N 2.94Å
133P96.5Very high95Very high61 Ų6152.4 Ų52.440%0.39629%0.289SS..PPolyproline II helixtrans-62.7158.1176.528.9-35.4000111P69 P70 G128P69-P133 HydrophobicContact CB-CG 4.31Å; P70-P133 HydrophobicContact CG-CG 3.7Å; G128-P133 PolarHBondContact N-O 3.04Å; G128-P133 VanDerWaalsContact N-O 3.15Å
134D94.4Very high94.9Very high117 Ų11755.5 Ų55.563%0.62630%0.301SS*.PPolyproline II helixtrans-69.4159.6170.2-159.65.4000110.8
135S91.3Very high94.9Very high16 Ų1655.5 Ų55.511%0.11230%0.301CS..  trans-152.1132.4175.8173.70000113.1D68 A137 L138D68-S135 PolarHBondContact OD1-OG 3.2Å; S135-A137 PolarHBondContact O-N 3.19Å; S135-A137 VanDerWaalsContact O-N 3.16Å; S135-A137 VanDerWaalsContact OG-CB 3.23Å; S135-A137 WeakPolarHBondContact OG-CB 3.41Å; S135-A137 PolarHBondContact OG-N 2.82Å; S135-L138 PolarHBondContact O-N 3.01Å
136E89.6Confident94.8Very high130 Ų13058.7 Ų58.761%0.60732%0.318SS*.G310 helixtrans-66.3-11.4172.8-64.2-64119.600112.9L138 K139E136-L138 PolarHBondContact O-N 2.92Å; E136-K139 WeakPolarHBondContact O-CD 3.47Å; E136-K139 VanDerWaalsContact O-CE 3.31Å; E136-K139 WeakPolarHBondContact O-CE 3.31Å; E136-K139 VanDerWaalsContact O-CG 3.32Å; E136-K139 WeakPolarHBondContact O-CG 3.31Å; E136-K139 WeakPolarHBondContact OE2-CE 3.48Å; E136-K139 IonicContact OE2-NZ 2.65Å; E136-K139 PolarHBondContact OE2-NZ 3.42Å
137A86.3Confident94.8Very high36 Ų3658.8 Ų58.830%0.29832%0.318SS..G310 helixtrans-70.3-11.7178.600000113.3S135 N143S135-A137 PolarHBondContact O-N 3.19Å; S135-A137 VanDerWaalsContact O-N 3.16Å; S135-A137 VanDerWaalsContact OG-CB 3.23Å; S135-A137 WeakPolarHBondContact OG-CB 3.41Å; S135-A137 PolarHBondContact OG-N 2.82Å; A137-N143 WeakPolarHBondContact O-CB 3.34Å; A137-N143 PolarHBondContact O-OD1 2.97Å; A137-N143 VanDerWaalsContact O-OD1 3.11Å
138L88.8Confident94.8Very high14 Ų1458.6 Ų58.67%0.07332%0.317CS..G310 helixtrans-10528.2-170.7-60.2172.7000114.6P69 P127 S135 E136 N143 R144 L147P69-L138 HydrophobicContact CG-CD1 3.98Å; P127-L138 HydrophobicContact CB-CD1 3.47Å; P127-L138 VanDerWaalsContact CB-CD1 3.47Å; P127-L138 HydrophobicContact CG-CD1 3.29Å; S135-L138 PolarHBondContact O-N 3.01Å; E136-L138 PolarHBondContact O-N 2.92Å; L138-N143 HydrophobicContact CD2-CB 4.07Å; L138-R144 PolarHBondContact O-NE 3.49Å; L138-R144 VanDerWaalsContact O-NE 3.09Å; L138-L147 HydrophobicContact CD1-CD1 3.55Å; L138-L147 HydrophobicContact CD2-CB 4.18Å; L138-L147 HydrophobicContact CD2-CD1 3.64Å; L138-L147 HydrophobicContact CG-CD1 4.24Å
139K87.4Confident94.8Very high138 Ų13857.2 Ų57.260%0.630%0.301SS*.  trans-70.9-32.9-179.4-72.3173.5-174.6-179.70113.2E136E136-K139 WeakPolarHBondContact O-CD 3.47Å; E136-K139 VanDerWaalsContact O-CE 3.31Å; E136-K139 WeakPolarHBondContact O-CE 3.31Å; E136-K139 VanDerWaalsContact O-CG 3.32Å; E136-K139 WeakPolarHBondContact O-CG 3.31Å; E136-K139 WeakPolarHBondContact OE2-CE 3.48Å; E136-K139 IonicContact OE2-NZ 2.65Å; E136-K139 PolarHBondContact OE2-NZ 3.42Å
140T93.6Very high94.7Very high67 Ų6756.9 Ų56.941%0.41130%0.299SS..SBendtrans-97.7155.5-176.681.10000111.9Q142 N143 R144T140-Q142 PolarHBondContact O-N 2.81Å; T140-Q142 PolarHBondContact OG1-N 2.9Å; T140-N143 PolarHBondContact O-N 2.86Å; T140-N143 PolarHBondContact OG1-N 3.36Å; T140-N143 VanDerWaalsContact OG1-N 3.15Å; T140-N143 PolarHBondContact OG1-OD1 2.93Å; T140-R144 PolarHBondContact O-N 2.79Å
141E93.2Very high94.7Very high78 Ų7854.2 Ų54.236%0.36427%0.272SS..Hα-helixtrans-56-42171.2-173.7-17392.500111.6N143 R144 V145 P174 K178 Y197E141-N143 PolarHBondContact O-N 2.93Å; E141-R144 PolarHBondContact O-N 3.24Å; E141-V145 WeakPolarHBondContact O-CG2 3.3Å; E141-V145 PolarHBondContact O-N 3.49Å; E141-V145 VanDerWaalsContact O-N 3.15Å; E141-P174 HydrophobicContact CG-CB 3.21Å; E141-P174 HydrophobicContact CG-CG 3.67Å; E141-K178 WeakPolarHBondContact OE1-CE 3.46Å; E141-K178 IonicContact OE1-NZ 2.79Å; E141-K178 PolarHBondContact OE1-NZ 3.05Å; E141-Y197 PolarHBondContact OE1-OH 3.43Å; E141-Y197 PolarHBondContact OE2-OH 3.05Å
142Q96.3Very high94.7Very high81 Ų8148.1 Ų48.138%0.37925%0.246SC..Hα-helixtrans-63.9-42.4-178.1-169.857.544.100111.7T140 R144 V145 D146T140-Q142 PolarHBondContact O-N 2.81Å; T140-Q142 PolarHBondContact OG1-N 2.9Å; Q142-R144 PolarHBondContact O-N 3.02Å; Q142-V145 WeakPolarHBondContact O-CB 3.32Å; Q142-V145 PolarHBondContact O-N 2.78Å; Q142-D146 PolarHBondContact NE2-OD1 2.86Å; Q142-D146 PolarHBondContact O-N 2.9Å
143N96.1Very high94.7Very high61 Ų6154.3 Ų54.333%0.32627%0.274SS..Hα-helixtrans-63.2-31179-58.3126.6000112.6A137 L138 T140 E141 L147A137-N143 WeakPolarHBondContact O-CB 3.34Å; A137-N143 PolarHBondContact O-OD1 2.97Å; A137-N143 VanDerWaalsContact O-OD1 3.11Å; L138-N143 HydrophobicContact CD2-CB 4.07Å; T140-N143 PolarHBondContact O-N 2.86Å; T140-N143 PolarHBondContact OG1-N 3.36Å; T140-N143 VanDerWaalsContact OG1-N 3.15Å; T140-N143 PolarHBondContact OG1-OD1 2.93Å; E141-N143 PolarHBondContact O-N 2.93Å; N143-L147 WeakPolarHBondContact O-CB 3.23Å; N143-L147 PolarHBondContact O-N 2.87Å
144R96.2Very high94.7Very high65 Ų6554.5 Ų54.525%0.24528%0.277CS..Hα-helixtrans-72-34.8175.3-63.8177.2-167.6171.9-1.6112.4L138 T140 E141 Q142 I148 H170 Y171L138-R144 PolarHBondContact O-NE 3.49Å; L138-R144 VanDerWaalsContact O-NE 3.09Å; T140-R144 PolarHBondContact O-N 2.79Å; E141-R144 PolarHBondContact O-N 3.24Å; Q142-R144 PolarHBondContact O-N 3.02Å; R144-I148 PolarHBondContact O-N 3.31Å; R144-H170 VanDerWaalsContact CD-O 3.25Å; R144-H170 WeakPolarHBondContact CD-O 3.23Å; R144-Y171 HydrophobicContact CB-CD1 3.55Å; R144-Y171 HydrophobicContact CB-CE1 4.07Å; R144-Y171 HydrophobicContact CB-CG 4.13Å; R144-Y171 HydrophobicContact CG-CD1 3.75Å; R144-Y171 HydrophobicContact CG-CE1 3.74Å; R144-Y171 HydrophobicContact CG-CG 4.41Å
145V97.8Very high94.8Very high0 Ų051.2 Ų51.20%026%0.259CS..Hα-helixtrans-65-50.4172.1173.50000109.8E141 Q142 L147 I148 S149 P174 F175 K178 N179E141-V145 WeakPolarHBondContact O-CG2 3.3Å; E141-V145 PolarHBondContact O-N 3.49Å; E141-V145 VanDerWaalsContact O-N 3.15Å; Q142-V145 WeakPolarHBondContact O-CB 3.32Å; Q142-V145 PolarHBondContact O-N 2.78Å; V145-L147 PolarHBondContact O-N 2.91Å; V145-I148 PolarHBondContact O-N 3.45Å; V145-I148 VanDerWaalsContact O-N 3.09Å; V145-S149 PolarHBondContact O-N 3.1Å; V145-S149 PolarHBondContact O-OG 3.15Å; V145-P174 HydrophobicContact CG2-CB 3.84Å; V145-P174 HydrophobicContact CG2-CG 4.18Å; V145-F175 HydrophobicContact CG1-CD2 3.9Å; V145-F175 HydrophobicContact CG2-CB 4.34Å; V145-K178 HydrophobicContact CG2-CD 4.26Å; V145-N179 VanDerWaalsContact CG1-OD1 3.3Å; V145-N179 WeakPolarHBondContact CG1-OD1 3.35Å
146D97.2Very high95Very high70 Ų7053 Ų5337%0.37428%0.279SS..Hα-helixtrans-61.3-32.2-179.4-59.1-21.8000111.8Q142 S149 R150Q142-D146 PolarHBondContact NE2-OD1 2.86Å; Q142-D146 PolarHBondContact O-N 2.9Å; D146-S149 PolarHBondContact O-N 2.97Å; D146-R150 WeakPolarHBondContact O-CB 3.18Å; D146-R150 PolarHBondContact O-N 3.1Å
147L97.8Very high95.3Very high2 Ų247 Ų471%0.0125%0.252CS..Hα-helixtrans-61.7-44.4174.7-177.2140.8000112.6P69 L71 M124 P127 L138 N143 V145 F151 Y171P69-L147 HydrophobicContact CG-CD1 4.45Å; L71-L147 HydrophobicContact CD1-CD2 4.19Å; L71-L147 HydrophobicContact CD1-CG 4.09Å; L71-L147 HydrophobicContact CD2-CD1 4.22Å; M124-L147 HydrophobicContact CE-CD2 4.32Å; M124-L147 HydrophobicContact SD-CD2 4.24Å; P127-L147 HydrophobicContact CG-CD1 3.58Å; L138-L147 HydrophobicContact CD1-CD1 3.55Å; L138-L147 HydrophobicContact CD2-CB 4.18Å; L138-L147 HydrophobicContact CD2-CD1 3.64Å; L138-L147 HydrophobicContact CG-CD1 4.24Å; N143-L147 WeakPolarHBondContact O-CB 3.23Å; N143-L147 PolarHBondContact O-N 2.87Å; V145-L147 PolarHBondContact O-N 2.91Å; L147-F151 WeakPolarHBondContact O-CB 3.28Å; L147-F151 PolarHBondContact O-N 2.92Å; L147-Y171 HydrophobicContact CD2-CD1 4.42Å
148I98Very high95.3Very high0 Ų055.9 Ų55.90%028%0.278CS..Hα-helixtrans-67.7-45.7176.5-64.4174.9000109.8L95 R144 V145 R150 F151 M152 L162 F175L95-I148 HydrophobicContact CD1-CD1 4.15Å; R144-I148 PolarHBondContact O-N 3.31Å; V145-I148 PolarHBondContact O-N 3.45Å; V145-I148 VanDerWaalsContact O-N 3.09Å; I148-R150 PolarHBondContact O-N 3.38Å; I148-F151 WeakPolarHBondContact O-CB 3.3Å; I148-F151 PolarHBondContact O-N 3.39Å; I148-M152 HydrophobicContact CG2-CG 4.48Å; I148-M152 HydrophobicContact CG2-SD 3.92Å; I148-M152 WeakPolarHBondContact O-CG 3.38Å; I148-M152 PolarHBondContact O-N 3.22Å; I148-L162 HydrophobicContact CD1-CD2 4.48Å; I148-F175 HydrophobicContact CB-CD2 3.61Å; I148-F175 HydrophobicContact CB-CE2 3.82Å; I148-F175 HydrophobicContact CB-CG 4.21Å; I148-F175 HydrophobicContact CD1-CB 3.91Å; I148-F175 HydrophobicContact CD1-CD2 4.3Å; I148-F175 HydrophobicContact CD1-CG 4.09Å; I148-F175 HydrophobicContact CG2-CD1 4.26Å; I148-F175 HydrophobicContact CG2-CD2 3.65Å; I148-F175 HydrophobicContact CG2-CE1 4.16Å; I148-F175 HydrophobicContact CG2-CE2 3.52Å; I148-F175 HydrophobicContact CG2-CG 4.03Å; I148-F175 HydrophobicContact CG2-CZ 3.8Å
149S97.4Very high95.5Very high12 Ų1257.2 Ų57.28%0.08429%0.291CS..Hα-helixtrans-55.6-50.7177.5-57.10000111.2V145 D146 F151 M152 E153 F175V145-S149 PolarHBondContact O-N 3.1Å; V145-S149 PolarHBondContact O-OG 3.15Å; D146-S149 PolarHBondContact O-N 2.97Å; S149-F151 VanDerWaalsContact C-N 3.34Å; S149-F151 PolarHBondContact O-N 2.82Å; S149-M152 PolarHBondContact O-N 3.39Å; S149-E153 WeakPolarHBondContact O-CB 3.5Å; S149-E153 VanDerWaalsContact O-CG 3.26Å; S149-E153 WeakPolarHBondContact O-CG 3.42Å; S149-E153 PolarHBondContact O-N 3.19Å; S149-F175 WeakPolarHBondContact OG-CE2 3.49Å
150R96.9Very high95.9Very high58 Ų5850.7 Ų50.722%0.21926%0.262CS..Hα-helixtrans-63.4-38.4-179.3-178.4175.148.883-1.9112.3P66 D146 I148 S154P66-R150 PolarHBondContact O-NH1 2.94Å; D146-R150 WeakPolarHBondContact O-CB 3.18Å; D146-R150 PolarHBondContact O-N 3.1Å; I148-R150 PolarHBondContact O-N 3.38Å; R150-S154 VanDerWaalsContact O-CB 3.25Å; R150-S154 WeakPolarHBondContact O-CB 3.48Å; R150-S154 PolarHBondContact O-N 3.44Å; R150-S154 PolarHBondContact O-OG 2.83Å
151F98.3Very high96.1Very high0 Ų047.5 Ų47.50%024%0.243CC..Hα-helixtrans-61.1-48.3174.2178.6-97.8000111.4L65 L71 F73 V93 L122 M124 L147 I148 S149 L155L65-F151 HydrophobicContact CD1-CD2 3.49Å; L65-F151 VanDerWaalsContact CD1-CD2 3.49Å; L65-F151 HydrophobicContact CD1-CE2 3.79Å; L65-F151 HydrophobicContact CD1-CG 4.37Å; L71-F151 HydrophobicContact CD1-CB 4.2Å; L71-F151 HydrophobicContact CD1-CD2 4.05Å; F73-F151 HydrophobicContact CB-CE2 3.71Å; F73-F151 HydrophobicContact CB-CZ 3.93Å; F73-F151 HydrophobicContact CD1-CE2 4.17Å; F73-F151 HydrophobicContact CD2-CZ 4.39Å; F73-F151 AromaticContact CG-CE2 3.9Å; F73-F151 HydrophobicContact CG-CE2 3.9Å; F73-F151 HydrophobicContact CG-CZ 4.14Å; V93-F151 HydrophobicContact CG1-CD1 4.11Å; V93-F151 HydrophobicContact CG1-CE1 3.96Å; V93-F151 HydrophobicContact CG2-CD1 4.49Å; V93-F151 HydrophobicContact CG2-CE1 4.27Å; L122-F151 HydrophobicContact CB-CE1 4.15Å; L122-F151 HydrophobicContact CB-CZ 4.26Å; M124-F151 HydrophobicContact CB-CD2 4.39Å; M124-F151 HydrophobicContact CB-CE2 3.92Å; M124-F151 HydrophobicContact CB-CZ 4.03Å; M124-F151 HydrophobicContact CE-CB 3.4Å; M124-F151 VanDerWaalsContact CE-CB 3.4Å; M124-F151 HydrophobicContact CE-CD1 3.45Å; M124-F151 VanDerWaalsContact CE-CD1 3.45Å; M124-F151 HydrophobicContact CE-CD2 3.22Å; M124-F151 HydrophobicContact CE-CE1 3.96Å; M124-F151 HydrophobicContact CE-CE2 3.78Å; M124-F151 HydrophobicContact CE-CG 3.04Å; M124-F151 HydrophobicContact CE-CZ 4.11Å; L147-F151 WeakPolarHBondContact O-CB 3.28Å; L147-F151 PolarHBondContact O-N 2.92Å; I148-F151 WeakPolarHBondContact O-CB 3.3Å; I148-F151 PolarHBondContact O-N 3.39Å; S149-F151 VanDerWaalsContact C-N 3.34Å; S149-F151 PolarHBondContact O-N 2.82Å; F151-L155 HydrophobicContact CD1-CD1 4.36Å; F151-L155 HydrophobicContact CD2-CD1 4.38Å; F151-L155 HydrophobicContact CE1-CD1 3.79Å; F151-L155 HydrophobicContact CE2-CD1 3.79Å; F151-L155 HydrophobicContact CZ-CD1 3.47Å; F151-L155 VanDerWaalsContact CZ-CD1 3.47Å; F151-L155 PolarHBondContact O-N 2.82Å
152M97.8Very high96.4Very high1 Ų143.8 Ų43.81%0.00523%0.225CC..Hα-helixtrans-62-48.9178-73.8175.956.400111.5V93 I148 S149 S154 L155 G156 V157 A160 F175 Q182V93-M152 HydrophobicContact CG2-CG 4.07Å; I148-M152 HydrophobicContact CG2-CG 4.48Å; I148-M152 HydrophobicContact CG2-SD 3.92Å; I148-M152 WeakPolarHBondContact O-CG 3.38Å; I148-M152 PolarHBondContact O-N 3.22Å; S149-M152 PolarHBondContact O-N 3.39Å; M152-S154 PolarHBondContact O-N 2.93Å; M152-L155 CarbonylContact O-C 3.51Å; M152-L155 PolarHBondContact O-N 3.18Å; M152-G156 PolarHBondContact O-N 2.94Å; M152-G156 VanDerWaalsContact O-N 3.14Å; M152-V157 HydrophobicContact CB-CB 4.04Å; M152-V157 HydrophobicContact CB-CG1 4.41Å; M152-V157 HydrophobicContact CE-CG1 4.08Å; M152-V157 HydrophobicContact CG-CB 4.31Å; M152-V157 HydrophobicContact CG-CG1 4.22Å; M152-V157 WeakPolarHBondContact O-CB 3.32Å; M152-V157 PolarHBondContact O-N 2.8Å; M152-A160 HydrophobicContact CE-CB 3.81Å; M152-A160 HydrophobicContact SD-CB 4.31Å; M152-F175 HydrophobicContact SD-CE1 4.44Å; M152-F175 HydrophobicContact SD-CZ 3.86Å; M152-Q182 HydrophobicContact CE-CB 4.48Å
153E97Very high96.5Very high134 Ų13439.9 Ų39.963%0.62621%0.207SC*.Hα-helixtrans-59.7-44.5178.9-73.6169.1-17300112.4S149 L155 G156S149-E153 WeakPolarHBondContact O-CB 3.5Å; S149-E153 VanDerWaalsContact O-CG 3.26Å; S149-E153 WeakPolarHBondContact O-CG 3.42Å; S149-E153 PolarHBondContact O-N 3.19Å; E153-L155 PolarHBondContact O-N 2.99Å; E153-G156 PolarHBondContact O-N 3.09Å
154S97.7Very high96.6Very high64 Ų6437 Ų3745%0.44819%0.192SC..Hα-helixtrans-63-25.1-179.2-60.40000113R150 M152R150-S154 VanDerWaalsContact O-CB 3.25Å; R150-S154 WeakPolarHBondContact O-CB 3.48Å; R150-S154 PolarHBondContact O-N 3.44Å; R150-S154 PolarHBondContact O-OG 2.83Å; M152-S154 PolarHBondContact O-N 2.93Å
155L96.8Very high96.8Very high49 Ų4934 Ų3426%0.25718%0.181SC..THydrogen-bonded Turntrans-103.46.9178.8-63.9177.2000112.7L65 F73 L122 F151 M152 E153 V157L65-L155 HydrophobicContact CD1-CD1 4.24Å; L65-L155 HydrophobicContact CD1-CD2 4.37Å; L65-L155 HydrophobicContact CD1-CG 4.05Å; L65-L155 HydrophobicContact CD2-CD2 3.98Å; L65-L155 HydrophobicContact CD2-CG 4.48Å; F73-L155 HydrophobicContact CD2-CD1 4.25Å; F73-L155 HydrophobicContact CE1-CD2 4.22Å; F73-L155 HydrophobicContact CE2-CD1 4.03Å; F73-L155 HydrophobicContact CE2-CD2 4.1Å; F73-L155 HydrophobicContact CZ-CD1 4.24Å; F73-L155 HydrophobicContact CZ-CD2 3.66Å; L122-L155 HydrophobicContact CD1-CB 4.49Å; L122-L155 HydrophobicContact CD1-CD1 4.02Å; L122-L155 HydrophobicContact CD2-CD1 4.08Å; L122-L155 HydrophobicContact CG-CD1 4.49Å; F151-L155 HydrophobicContact CD1-CD1 4.36Å; F151-L155 HydrophobicContact CD2-CD1 4.38Å; F151-L155 HydrophobicContact CE1-CD1 3.79Å; F151-L155 HydrophobicContact CE2-CD1 3.79Å; F151-L155 HydrophobicContact CZ-CD1 3.47Å; F151-L155 VanDerWaalsContact CZ-CD1 3.47Å; F151-L155 PolarHBondContact O-N 2.82Å; M152-L155 CarbonylContact O-C 3.51Å; M152-L155 PolarHBondContact O-N 3.18Å; E153-L155 PolarHBondContact O-N 2.99Å; L155-V157 HydrophobicContact CB-CG2 3.98Å; L155-V157 PolarHBondContact O-N 2.7Å
156G95.6Very high96.8Very high52 Ų5235 Ų3554%0.53619%0.188SC..THydrogen-bonded Turntrans68.819.2-179.400000114.4M152 E153 R158M152-G156 PolarHBondContact O-N 2.94Å; M152-G156 VanDerWaalsContact O-N 3.14Å; E153-G156 PolarHBondContact O-N 3.09Å; G156-R158 PolarHBondContact O-N 3Å
157V95.4Very high96.9Very high6 Ų632.5 Ų32.54%0.03617%0.174CC..  trans-82.8111.8-179.6-178.70000109.5Q91 V93 L122 M152 L155 A160Q91-V157 HydrophobicContact CB-CG1 4.14Å; V93-V157 HydrophobicContact CG2-CG1 4.43Å; L122-V157 HydrophobicContact CD1-CG2 3.46Å; L122-V157 VanDerWaalsContact CD1-CG2 3.46Å; M152-V157 HydrophobicContact CB-CB 4.04Å; M152-V157 HydrophobicContact CB-CG1 4.41Å; M152-V157 HydrophobicContact CE-CG1 4.08Å; M152-V157 HydrophobicContact CG-CB 4.31Å; M152-V157 HydrophobicContact CG-CG1 4.22Å; M152-V157 WeakPolarHBondContact O-CB 3.32Å; M152-V157 PolarHBondContact O-N 2.8Å; L155-V157 HydrophobicContact CB-CG2 3.98Å; L155-V157 PolarHBondContact O-N 2.7Å; V157-A160 HydrophobicContact CG1-CB 3.66Å
158R87.3Confident96.9Very high221 Ų22132.4 Ų32.483%0.83417%0.174SC*.SBendtrans-101.9-25.2-176.7-66.8-176.8176.1149.90.1114.4G156G156-R158 PolarHBondContact O-N 3Å
159A91.2Very high96.9Very high43 Ų4332.4 Ų32.436%0.35517%0.174SC..SBendtrans-148.581.2-173.200000109.6Q182 R184A159-Q182 WeakPolarHBondContact CA-O 3.4Å; A159-R184 HydrophobicContact CB-CG 3.66Å; A159-R184 WeakPolarHBondContact O-CG 3.39Å
160A95.9Very high96.9Very high0 Ų036 Ų360%019%0.189CC..EExtended strand (participates in β ladder)trans-89.2159.2-17300000112.9Q91 V93 M152 V157 Q182 L183 R184 G185Q91-A160 CarbonylContact O-C 3.56Å; Q91-A160 WeakPolarHBondContact O-CA 3.47Å; V93-A160 HydrophobicContact CG2-CB 3.91Å; M152-A160 HydrophobicContact CE-CB 3.81Å; M152-A160 HydrophobicContact SD-CB 4.31Å; V157-A160 HydrophobicContact CG1-CB 3.66Å; A160-Q182 PolarHBondContact N-O 3.49Å; A160-L183 HydrophobicContact CB-CD2 4.28Å; A160-L183 CarbonylContact O-C 3.49Å; A160-L183 VanDerWaalsContact O-CA 3.3Å; A160-L183 WeakPolarHBondContact O-CA 3.13Å; A160-R184 PolarHBondContact O-N 3.43Å; A160-G185 PolarHBondContact O-N 3.31Å
161V98.6Very high97Very high0 Ų034.2 Ų34.20%018%0.182CC..EExtended strand (participates in β ladder)trans-93120.4152-176.10000108.1L90 Q91 M92 V93 R184 G185 V187 F261 L262 L265L90-V161 HydrophobicContact CD1-CG2 4.24Å; Q91-V161 PolarHBondContact O-N 3.3Å; M92-V161 CarbonylContact C-O 3.58Å; M92-V161 WeakPolarHBondContact CA-O 3.19Å; M92-V161 HydrophobicContact CE-CB 4.02Å; M92-V161 HydrophobicContact CE-CG1 3.72Å; M92-V161 HydrophobicContact CG-CB 4.26Å; V93-V161 PolarHBondContact N-O 2.95Å; V161-R184 HydrophobicContact CG2-CB 4.23Å; V161-G185 VanDerWaalsContact CA-O 3.32Å; V161-G185 WeakPolarHBondContact CA-O 3.47Å; V161-V187 HydrophobicContact CG1-CG2 3.86Å; V161-F261 HydrophobicContact CG1-CE1 4.39Å; V161-L262 HydrophobicContact CB-CD2 4.11Å; V161-L262 HydrophobicContact CG1-CD2 3.89Å; V161-L262 HydrophobicContact CG2-CD2 3.83Å; V161-L265 HydrophobicContact CG2-CD1 3.77Å
162L98.9Very high97Very high0 Ų034.2 Ų34.20%018%0.182CC..EExtended strand (participates in β ladder)trans-98.3120.2-177.518064.5000110.8V93 L95 I148 F175 L183 G185 Y186 V187V93-L162 HydrophobicContact CB-CD1 3.98Å; V93-L162 HydrophobicContact CG1-CD1 3.83Å; L95-L162 HydrophobicContact CD1-CD1 4.09Å; L95-L162 HydrophobicContact CD2-CD1 4.34Å; L95-L162 HydrophobicContact CG-CD1 3.95Å; I148-L162 HydrophobicContact CD1-CD2 4.48Å; L162-F175 HydrophobicContact CD2-CD1 4.06Å; L162-L183 HydrophobicContact CB-CD1 4.22Å; L162-L183 HydrophobicContact CB-CD2 3.72Å; L162-L183 HydrophobicContact CD2-CD1 4.31Å; L162-G185 PolarHBondContact N-O 3.4Å; L162-Y186 HydrophobicContact CB-CD2 4.15Å; L162-Y186 HydrophobicContact CD2-CD2 4.37Å; L162-Y186 HydrophobicContact CD2-CE2 4.25Å; L162-Y186 HydrophobicContact CG-CD2 4.32Å; L162-Y186 HydrophobicContact CG-CE2 4.35Å; L162-Y186 VanDerWaalsContact O-CD2 3.28Å; L162-Y186 WeakPolarHBondContact O-CD2 3.35Å; L162-V187 PolarHBondContact O-N 3.18Å
163L98.9Very high97.1Very high0 Ų034.2 Ų34.20%018%0.182CC..EExtended strand (participates in β ladder)trans-105.4123.8178.5-169.3167.5000109.5M92 V93 L94 L95 W105 V187 I189 F254 L258M92-L163 HydrophobicContact CE-CB 4.29Å; M92-L163 HydrophobicContact CE-CD1 4.22Å; V93-L163 PolarHBondContact O-N 3.49Å; L94-L163 HydrophobicContact CG-CB 4.46Å; L94-L163 HydrophobicContact CG-CD1 4.34Å; L95-L163 WeakPolarHBondContact CB-O 3.4Å; L95-L163 PolarHBondContact N-O 3.19Å; W105-L163 HydrophobicContact CH2-CD2 3.57Å; W105-L163 HydrophobicContact CZ2-CD2 3.46Å; W105-L163 VanDerWaalsContact CZ2-CD2 3.46Å; L163-V187 WeakPolarHBondContact CA-O 3.19Å; L163-V187 HydrophobicContact CB-CB 4.3Å; L163-V187 HydrophobicContact CG-CB 4.15Å; L163-V187 HydrophobicContact CG-CG1 4.24Å; L163-I189 HydrophobicContact CD2-CD1 3.87Å; L163-I189 HydrophobicContact CD2-CG1 4.43Å; L163-F254 HydrophobicContact CD1-CZ 4.13Å; L163-L258 HydrophobicContact CD1-CD2 4.07Å
164S98.8Very high97.1Very high0 Ų028.1 Ų28.10%016%0.155CC..EExtended strand (participates in β ladder)trans-141.497.5-167.9-179.80000113.2S168 G169 S172 V187 P188 I189S164-S168 WeakPolarHBondContact CA-OG 3.45Å; S164-S168 PolarHBondContact OG-OG 2.68Å; S164-G169 PolarHBondContact OG-N 3.09Å; S164-S172 WeakPolarHBondContact CB-OG 3.45Å; S164-S172 WeakPolarHBondContact OG-CB 3.47Å; S164-S172 PolarHBondContact OG-OG 3.11Å; S164-V187 PolarHBondContact N-O 2.87Å; S164-P188 WeakPolarHBondContact O-CA 3.22Å; S164-I189 PolarHBondContact O-N 2.94Å
165P98.7Very high97.2Very high1 Ų125.1 Ų25.11%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-86.5138.6173.334-34.8000113.6L95 W105 M167 S168 I189 Y247L95-P165 WeakPolarHBondContact O-CD 3.5Å; W105-P165 HydrophobicContact CZ2-CG 3.94Å; P165-M167 PolarHBondContact O-N 2.85Å; P165-S168 VanDerWaalsContact CD-OG 3.3Å; P165-S168 WeakPolarHBondContact CD-OG 3.42Å; P165-S168 VanDerWaalsContact N-OG 3.11Å; P165-S168 PolarHBondContact O-N 3.06Å; P165-S168 VanDerWaalsContact O-N 3.15Å; P165-S168 PolarHBondContact O-OG 3.04Å; P165-I189 CarbonylContact C-O 3.48Å; P165-I189 VanDerWaalsContact CA-O 3.23Å; P165-I189 WeakPolarHBondContact CA-O 3.45Å; P165-I189 HydrophobicContact CB-CB 3.98Å; P165-I189 HydrophobicContact CB-CD1 4.45Å; P165-I189 HydrophobicContact CB-CG1 4.47Å; P165-Y247 HydrophobicContact CB-CE1 3.79Å; P165-Y247 HydrophobicContact CG-CE1 4.45Å
166S98.4Very high97.3Very high22 Ų2222.8 Ų22.815%0.15412%0.121CC..G310 helixtrans52.6-118.8161.7-173.30000113.6S168 G169 I189 A190 P191 V192 H244S166-S168 PolarHBondContact O-N 3.27Å; S166-S168 VanDerWaalsContact O-N 3.15Å; S166-G169 PolarHBondContact O-N 2.93Å; S166-I189 PolarHBondContact N-O 3.17Å; S166-A190 WeakPolarHBondContact CA-O 3.49Å; S166-P191 WeakPolarHBondContact O-CA 3.42Å; S166-V192 WeakPolarHBondContact O-CG2 3.36Å; S166-V192 PolarHBondContact O-N 3.4Å; S166-H244 WeakPolarHBondContact CB-NE2 3.33Å; S166-H244 PolarHBondContact OG-NE2 3.38Å
167M98.6Very high97.4Very high17 Ų1721.8 Ų21.88%0.08410%0.103CC..G310 helixtrans-52.2-34.2-178.3-173.2-124.768.500113.8Q98 L126 Y129 P165 G169 H170 Y171Q98-M167 HydrophobicContact CB-CB 3.77Å; Q98-M167 HydrophobicContact CB-CG 4.04Å; Q98-M167 HydrophobicContact CB-SD 4.23Å; L126-M167 HydrophobicContact CD1-CE 3.42Å; L126-M167 VanDerWaalsContact CD1-CE 3.42Å; Y129-M167 HydrophobicContact CE2-SD 3.92Å; Y129-M167 PolarHBondContact OH-SD 3.35Å; Y129-M167 VanDerWaalsContact OH-SD 3.39Å; P165-M167 PolarHBondContact O-N 2.85Å; M167-G169 PolarHBondContact O-N 2.71Å; M167-H170 WeakPolarHBondContact O-CB 3.44Å; M167-H170 PolarHBondContact O-CD2 3.04Å; M167-H170 PolarHBondContact O-N 2.98Å; M167-Y171 HydrophobicContact CE-CD2 4.11Å; M167-Y171 HydrophobicContact CE-CE2 3.64Å
168S98.7Very high97.4Very high0 Ų026 Ų260%012%0.121CC..G310 helixtrans-62.8-12.9178.4600000113.5H96 S164 P165 S166 H170 Y171 S172H96-S168 WeakPolarHBondContact O-CB 3.2Å; S164-S168 WeakPolarHBondContact CA-OG 3.45Å; S164-S168 PolarHBondContact OG-OG 2.68Å; P165-S168 VanDerWaalsContact CD-OG 3.3Å; P165-S168 WeakPolarHBondContact CD-OG 3.42Å; P165-S168 VanDerWaalsContact N-OG 3.11Å; P165-S168 PolarHBondContact O-N 3.06Å; P165-S168 VanDerWaalsContact O-N 3.15Å; P165-S168 PolarHBondContact O-OG 3.04Å; S166-S168 PolarHBondContact O-N 3.27Å; S166-S168 VanDerWaalsContact O-N 3.15Å; S168-H170 PolarHBondContact O-N 3.03Å; S168-Y171 WeakPolarHBondContact O-CA 3.41Å; S168-Y171 WeakPolarHBondContact O-CB 3.28Å; S168-Y171 PolarHBondContact O-N 3.01Å; S168-S172 PolarHBondContact O-N 2.95Å; S168-S172 PolarHBondContact O-OG 2.78Å
169G98.6Very high97.9Very high0 Ų017.1 Ų17.10%09%0.09CC..Hα-helixtrans-53.7-28.7166.100000114.6S164 S166 M167 Y171 S172 I173 V192S164-G169 PolarHBondContact OG-N 3.09Å; S166-G169 PolarHBondContact O-N 2.93Å; M167-G169 PolarHBondContact O-N 2.71Å; G169-Y171 PolarHBondContact O-N 3.29Å; G169-S172 WeakPolarHBondContact CA-OG 3.36Å; G169-I173 VanDerWaalsContact O-CB 3.32Å; G169-I173 WeakPolarHBondContact O-CB 3.28Å; G169-I173 WeakPolarHBondContact O-CG1 3.26Å; G169-I173 PolarHBondContact O-N 3.14Å; G169-I173 VanDerWaalsContact O-N 3.08Å; G169-V192 CarbonylContact C-O 3.52Å; G169-V192 WeakPolarHBondContact CA-O 3.27Å
170H97.9Very high98.1Very high88 Ų8816.3 Ų16.341%0.4078%0.082SC..Hα-helixtrans-62.7-18.9172.4-76.6-47.2000114.2R144 M167 S168 V192R144-H170 VanDerWaalsContact CD-O 3.25Å; R144-H170 WeakPolarHBondContact CD-O 3.23Å; M167-H170 WeakPolarHBondContact O-CB 3.44Å; M167-H170 PolarHBondContact O-CD2 3.04Å; M167-H170 PolarHBondContact O-N 2.98Å; S168-H170 PolarHBondContact O-N 3.03Å; H170-V192 HydrophobicContact CB-CG2 4.37Å; H170-V192 VanDerWaalsContact CD2-CG2 3.49Å; H170-V192 WeakPolarHBondContact CD2-CG2 3.46Å
171Y98.4Very high97.9Very high21 Ų2121.2 Ų21.28%0.08212%0.122CC..Hα-helixtrans-106.8-49.2176.9-58.3-105.2000110L126 R144 L147 M167 S168 G169 P174 F175L126-Y171 HydrophobicContact CD1-CD2 4.4Å; L126-Y171 HydrophobicContact CD1-CE2 4.37Å; L126-Y171 HydrophobicContact CD2-CD1 4.32Å; L126-Y171 HydrophobicContact CD2-CD2 4.37Å; L126-Y171 HydrophobicContact CD2-CE1 4.36Å; L126-Y171 HydrophobicContact CD2-CE2 4.43Å; L126-Y171 HydrophobicContact CD2-CG 4.34Å; R144-Y171 HydrophobicContact CB-CD1 3.55Å; R144-Y171 HydrophobicContact CB-CE1 4.07Å; R144-Y171 HydrophobicContact CB-CG 4.13Å; R144-Y171 HydrophobicContact CG-CD1 3.75Å; R144-Y171 HydrophobicContact CG-CE1 3.74Å; R144-Y171 HydrophobicContact CG-CG 4.41Å; L147-Y171 HydrophobicContact CD2-CD1 4.42Å; M167-Y171 HydrophobicContact CE-CD2 4.11Å; M167-Y171 HydrophobicContact CE-CE2 3.64Å; S168-Y171 WeakPolarHBondContact O-CA 3.41Å; S168-Y171 WeakPolarHBondContact O-CB 3.28Å; S168-Y171 PolarHBondContact O-N 3.01Å; G169-Y171 PolarHBondContact O-N 3.29Å; Y171-P174 WeakPolarHBondContact O-CD 3.24Å; Y171-P174 WeakPolarHBondContact O-CG 3.47Å; Y171-F175 WeakPolarHBondContact O-CB 3.27Å; Y171-F175 PolarHBondContact O-N 3.2Å
172S98.6Very high97.7Very high0 Ų024.1 Ų24.10%014%0.136CC..Hα-helixtrans-75.5-35.3-170.872.80000114.3S164 S168 G169 F175 F176 Y186S164-S172 WeakPolarHBondContact CB-OG 3.45Å; S164-S172 WeakPolarHBondContact OG-CB 3.47Å; S164-S172 PolarHBondContact OG-OG 3.11Å; S168-S172 PolarHBondContact O-N 2.95Å; S168-S172 PolarHBondContact O-OG 2.78Å; G169-S172 WeakPolarHBondContact CA-OG 3.36Å; S172-F175 PolarHBondContact O-N 3.05Å; S172-F176 WeakPolarHBondContact O-CB 3.37Å; S172-F176 PolarHBondContact O-N 3.25Å; S172-Y186 PolarHBondContact OG-OH 2.9Å
173I98.6Very high97.7Very high0 Ų024.7 Ų24.70%014%0.139CC..Hα-helixtrans-64.8-50.4179.8-64.1-64.4000111.5G169 F175 F176 M177 Y186 P191 V192 T194 Y197 L228G169-I173 VanDerWaalsContact O-CB 3.32Å; G169-I173 WeakPolarHBondContact O-CB 3.28Å; G169-I173 WeakPolarHBondContact O-CG1 3.26Å; G169-I173 PolarHBondContact O-N 3.14Å; G169-I173 VanDerWaalsContact O-N 3.08Å; I173-F175 VanDerWaalsContact C-N 3.3Å; I173-F175 PolarHBondContact O-N 2.87Å; I173-F176 PolarHBondContact O-N 2.98Å; I173-M177 VanDerWaalsContact O-CG 3.23Å; I173-M177 WeakPolarHBondContact O-CG 3.23Å; I173-M177 PolarHBondContact O-N 3.15Å; I173-Y186 HydrophobicContact CD1-CE1 4.26Å; I173-Y186 WeakPolarHBondContact CD1-OH 3.23Å; I173-P191 HydrophobicContact CD1-CB 4.46Å; I173-P191 HydrophobicContact CD1-CG 4.14Å; I173-P191 HydrophobicContact CG1-CB 4.47Å; I173-V192 WeakPolarHBondContact CG1-O 3.4Å; I173-T194 HydrophobicContact CD1-CG2 3.61Å; I173-T194 HydrophobicContact CG1-CG2 4.13Å; I173-Y197 HydrophobicContact CG2-CD2 3.68Å; I173-Y197 HydrophobicContact CG2-CE2 3.61Å; I173-L228 HydrophobicContact CD1-CD2 4.49Å
174P98.4Very high97.6Very high7 Ų728.4 Ų28.45%0.04515%0.153CC..Hα-helixtrans-65.5-34.2176.225.5-34.4000112.7E141 V145 Y171 M177 K178E141-P174 HydrophobicContact CG-CB 3.21Å; E141-P174 HydrophobicContact CG-CG 3.67Å; V145-P174 HydrophobicContact CG2-CB 3.84Å; V145-P174 HydrophobicContact CG2-CG 4.18Å; Y171-P174 WeakPolarHBondContact O-CD 3.24Å; Y171-P174 WeakPolarHBondContact O-CG 3.47Å; P174-M177 PolarHBondContact O-N 2.87Å; P174-K178 WeakPolarHBondContact O-CG 3.42Å; P174-K178 PolarHBondContact O-N 2.96Å
175F98.6Very high97.6Very high0 Ų028.4 Ų28.40%015%0.153CC..Hα-helixtrans-62.9-46.2173.5-177.8-84.3000111.1V145 I148 S149 M152 L162 Y171 S172 I173 M177 K178 N179 L183V145-F175 HydrophobicContact CG1-CD2 3.9Å; V145-F175 HydrophobicContact CG2-CB 4.34Å; I148-F175 HydrophobicContact CB-CD2 3.61Å; I148-F175 HydrophobicContact CB-CE2 3.82Å; I148-F175 HydrophobicContact CB-CG 4.21Å; I148-F175 HydrophobicContact CD1-CB 3.91Å; I148-F175 HydrophobicContact CD1-CD2 4.3Å; I148-F175 HydrophobicContact CD1-CG 4.09Å; I148-F175 HydrophobicContact CG2-CD1 4.26Å; I148-F175 HydrophobicContact CG2-CD2 3.65Å; I148-F175 HydrophobicContact CG2-CE1 4.16Å; I148-F175 HydrophobicContact CG2-CE2 3.52Å; I148-F175 HydrophobicContact CG2-CG 4.03Å; I148-F175 HydrophobicContact CG2-CZ 3.8Å; S149-F175 WeakPolarHBondContact OG-CE2 3.49Å; M152-F175 HydrophobicContact SD-CE1 4.44Å; M152-F175 HydrophobicContact SD-CZ 3.86Å; L162-F175 HydrophobicContact CD2-CD1 4.06Å; Y171-F175 WeakPolarHBondContact O-CB 3.27Å; Y171-F175 PolarHBondContact O-N 3.2Å; S172-F175 PolarHBondContact O-N 3.05Å; I173-F175 VanDerWaalsContact C-N 3.3Å; I173-F175 PolarHBondContact O-N 2.87Å; F175-M177 VanDerWaalsContact C-N 3.27Å; F175-M177 PolarHBondContact O-N 2.62Å; F175-K178 PolarHBondContact O-N 2.67Å; F175-N179 HydrophobicContact CD1-CB 4.26Å; F175-N179 HydrophobicContact CD2-CB 4.22Å; F175-N179 HydrophobicContact CE1-CB 3.99Å; F175-N179 HydrophobicContact CE2-CB 3.97Å; F175-N179 HydrophobicContact CG-CB 4.36Å; F175-N179 HydrophobicContact CZ-CB 3.85Å; F175-N179 WeakPolarHBondContact O-CA 3.38Å; F175-N179 WeakPolarHBondContact O-CB 3.36Å; F175-N179 PolarHBondContact O-N 3.15Å; F175-L183 HydrophobicContact CD1-CD1 4.16Å; F175-L183 HydrophobicContact CE1-CD1 4.03Å; F175-L183 HydrophobicContact CE1-CD2 3.87Å; F175-L183 HydrophobicContact CE1-CG 3.92Å
176F98.4Very high97.6Very high0 Ų028.3 Ų28.30%015%0.152CC..Hα-helixtrans-59.3-39177.2-176.3-118.2000112S172 I173 S180 L183 Y186 I205 T207 L231S172-F176 WeakPolarHBondContact O-CB 3.37Å; S172-F176 PolarHBondContact O-N 3.25Å; I173-F176 PolarHBondContact O-N 2.98Å; F176-S180 WeakPolarHBondContact O-CB 3.33Å; F176-S180 PolarHBondContact O-N 3.49Å; F176-S180 PolarHBondContact O-OG 3.01Å; F176-L183 HydrophobicContact CD2-CD1 3.88Å; F176-Y186 HydrophobicContact CD1-CD1 4.04Å; F176-Y186 HydrophobicContact CD1-CE1 4.11Å; F176-Y186 AromaticContact CD2-CD1 3.72Å; F176-Y186 HydrophobicContact CD2-CD1 3.72Å; F176-Y186 HydrophobicContact CD2-CD2 4.41Å; F176-Y186 HydrophobicContact CD2-CE1 4.34Å; F176-Y186 AromaticContact CD2-CG 3.78Å; F176-Y186 HydrophobicContact CD2-CG 3.78Å; F176-Y186 AromaticContact CE1-CD1 3.95Å; F176-Y186 HydrophobicContact CE1-CD1 3.95Å; F176-Y186 HydrophobicContact CE1-CE1 4.34Å; F176-Y186 AromaticContact CE2-CD1 3.63Å; F176-Y186 HydrophobicContact CE2-CD1 3.63Å; F176-Y186 AromaticContact CE2-CG 3.78Å; F176-Y186 HydrophobicContact CE2-CG 3.78Å; F176-Y186 AromaticContact CG-CD1 3.92Å; F176-Y186 HydrophobicContact CG-CD1 3.92Å; F176-Y186 HydrophobicContact CG-CE1 4.1Å; F176-Y186 HydrophobicContact CG-CG 4.35Å; F176-Y186 AromaticContact CZ-CD1 3.73Å; F176-Y186 HydrophobicContact CZ-CD1 3.73Å; F176-Y186 HydrophobicContact CZ-CG 4.32Å; F176-I205 HydrophobicContact CD1-CD1 3.59Å; F176-I205 HydrophobicContact CE1-CB 4.46Å; F176-I205 HydrophobicContact CE1-CD1 3.46Å; F176-I205 VanDerWaalsContact CE1-CD1 3.46Å; F176-I205 HydrophobicContact CE1-CG2 3.94Å; F176-I205 HydrophobicContact CE2-CG2 3.85Å; F176-I205 HydrophobicContact CG-CD1 4.33Å; F176-I205 HydrophobicContact CZ-CB 4.39Å; F176-I205 HydrophobicContact CZ-CD1 4.12Å; F176-I205 HydrophobicContact CZ-CG2 3.45Å; F176-I205 VanDerWaalsContact CZ-CG2 3.45Å; F176-T207 HydrophobicContact CE2-CG2 3.97Å; F176-L231 HydrophobicContact CE1-CD1 3.94Å; F176-L231 HydrophobicContact CE1-CD2 3.69Å; F176-L231 HydrophobicContact CE1-CG 4.45Å; F176-L231 HydrophobicContact CZ-CD1 4.05Å; F176-L231 HydrophobicContact CZ-CD2 3.86Å
177M97.8Very high97.6Very high32 Ų3227.3 Ų27.316%0.15815%0.145CC..Hα-helixtrans-69.5-38178.7-70.2-74.1169.600113.3I173 P174 F175 Y197 H201 Y202 I205I173-M177 VanDerWaalsContact O-CG 3.23Å; I173-M177 WeakPolarHBondContact O-CG 3.23Å; I173-M177 PolarHBondContact O-N 3.15Å; P174-M177 PolarHBondContact O-N 2.87Å; F175-M177 VanDerWaalsContact C-N 3.27Å; F175-M177 PolarHBondContact O-N 2.62Å; M177-Y197 HydrophobicContact CB-CD1 4.33Å; M177-Y197 HydrophobicContact CB-CE1 3.84Å; M177-Y197 HydrophobicContact CE-CD1 4.17Å; M177-Y197 HydrophobicContact CE-CD2 3.89Å; M177-Y197 HydrophobicContact CE-CG 3.59Å; M177-Y197 HydrophobicContact CG-CD1 3.7Å; M177-Y197 HydrophobicContact CG-CD2 3.84Å; M177-Y197 HydrophobicContact CG-CE1 3.6Å; M177-Y197 HydrophobicContact CG-CE2 3.75Å; M177-Y197 HydrophobicContact CG-CG 3.81Å; M177-Y197 HydrophobicContact SD-CD1 3.68Å; M177-Y197 HydrophobicContact SD-CD2 4.3Å; M177-Y197 HydrophobicContact SD-CE1 4.16Å; M177-Y197 HydrophobicContact SD-CG 3.75Å; M177-H201 HydrophobicContact CE-CB 4.47Å; M177-H201 HydrophobicContact SD-CB 3.99Å; M177-Y202 HydrophobicContact CE-CD1 3.34Å; M177-Y202 HydrophobicContact CE-CD2 4.3Å; M177-Y202 HydrophobicContact CE-CE1 3.01Å; M177-Y202 HydrophobicContact CE-CE2 4.05Å; M177-Y202 HydrophobicContact CE-CG 3.98Å; M177-I205 HydrophobicContact CE-CD1 4.13Å; M177-I205 HydrophobicContact SD-CD1 3.75Å
178K97.1Very high97.6Very high95 Ų9526.5 Ų26.541%0.41314%0.141SC..Hα-helixtrans-94.6-28-174.9-66.8177.6-173.4169.80113.9E141 V145 P174 F175E141-K178 WeakPolarHBondContact OE1-CE 3.46Å; E141-K178 IonicContact OE1-NZ 2.79Å; E141-K178 PolarHBondContact OE1-NZ 3.05Å; V145-K178 HydrophobicContact CG2-CD 4.26Å; P174-K178 WeakPolarHBondContact O-CG 3.42Å; P174-K178 PolarHBondContact O-N 2.96Å; F175-K178 PolarHBondContact O-N 2.67Å
179N96.6Very high97.6Very high33 Ų3326.5 Ų26.518%0.17614%0.141CC..Hα-helixtrans-13222.4-166.7-61.779.2000112.7V145 F175 A181 Q182V145-N179 VanDerWaalsContact CG1-OD1 3.3Å; V145-N179 WeakPolarHBondContact CG1-OD1 3.35Å; F175-N179 HydrophobicContact CD1-CB 4.26Å; F175-N179 HydrophobicContact CD2-CB 4.22Å; F175-N179 HydrophobicContact CE1-CB 3.99Å; F175-N179 HydrophobicContact CE2-CB 3.97Å; F175-N179 HydrophobicContact CG-CB 4.36Å; F175-N179 HydrophobicContact CZ-CB 3.85Å; F175-N179 WeakPolarHBondContact O-CA 3.38Å; F175-N179 WeakPolarHBondContact O-CB 3.36Å; F175-N179 PolarHBondContact O-N 3.15Å; N179-A181 PolarHBondContact O-N 2.87Å; N179-Q182 HydrophobicContact CB-CG 4.47Å; N179-Q182 PolarHBondContact ND2-NE2 2.96Å; N179-Q182 WeakPolarHBondContact O-CB 3.47Å; N179-Q182 PolarHBondContact O-N 3.02Å
180S95.7Very high97.6Very high27 Ų2726.5 Ų26.519%0.18914%0.141CC..G310 helixtrans-51.4-30.417836.50000114.3F176 Q182 L183 T207F176-S180 WeakPolarHBondContact O-CB 3.33Å; F176-S180 PolarHBondContact O-N 3.49Å; F176-S180 PolarHBondContact O-OG 3.01Å; S180-Q182 PolarHBondContact O-N 2.77Å; S180-L183 PolarHBondContact O-N 3.46Å; S180-T207 WeakPolarHBondContact CB-OG1 3.24Å; S180-T207 PolarHBondContact O-OG1 3.39Å
181A92.5Very high97.7Very high103 Ų10322.4 Ų22.485%0.85112%0.122SC*.G310 helixtrans-64.3-20.2175.500000114.1N179 L183N179-A181 PolarHBondContact O-N 2.87Å; A181-L183 VanDerWaalsContact C-N 3.28Å
182Q94.1Very high97.7Very high61 Ų6122.8 Ų22.829%0.28513%0.127SC..G310 helixtrans-86.11.4174.6-57.8-174.823.900112.8M152 A159 A160 N179 S180M152-Q182 HydrophobicContact CE-CB 4.48Å; A159-Q182 WeakPolarHBondContact CA-O 3.4Å; A160-Q182 PolarHBondContact N-O 3.49Å; N179-Q182 HydrophobicContact CB-CG 4.47Å; N179-Q182 PolarHBondContact ND2-NE2 2.96Å; N179-Q182 WeakPolarHBondContact O-CB 3.47Å; N179-Q182 PolarHBondContact O-N 3.02Å; S180-Q182 PolarHBondContact O-N 2.77Å
183L97.8Very high97.6Very high12 Ų1223.9 Ų23.96%0.06314%0.138CC..EExtended strand (participates in β ladder)trans-113128.5-178.8-63.1178.4000111.1A160 L162 F175 F176 S180 A181 G185 T207A160-L183 HydrophobicContact CB-CD2 4.28Å; A160-L183 CarbonylContact O-C 3.49Å; A160-L183 VanDerWaalsContact O-CA 3.3Å; A160-L183 WeakPolarHBondContact O-CA 3.13Å; L162-L183 HydrophobicContact CB-CD1 4.22Å; L162-L183 HydrophobicContact CB-CD2 3.72Å; L162-L183 HydrophobicContact CD2-CD1 4.31Å; F175-L183 HydrophobicContact CD1-CD1 4.16Å; F175-L183 HydrophobicContact CE1-CD1 4.03Å; F175-L183 HydrophobicContact CE1-CD2 3.87Å; F175-L183 HydrophobicContact CE1-CG 3.92Å; F176-L183 HydrophobicContact CD2-CD1 3.88Å; S180-L183 PolarHBondContact O-N 3.46Å; A181-L183 VanDerWaalsContact C-N 3.28Å; L183-G185 VanDerWaalsContact C-N 3.34Å; L183-T207 HydrophobicContact CB-CG2 3.82Å
184R97.4Very high97.6Very high77 Ų7723.9 Ų23.929%0.29114%0.138SC..EExtended strand (participates in β ladder)trans-75.1-27.5165.6-71.8-64.3-62.2174.50.1111.9L90 A159 A160 V161 L265L90-R184 HydrophobicContact CD2-CG 4.28Å; A159-R184 HydrophobicContact CB-CG 3.66Å; A159-R184 WeakPolarHBondContact O-CG 3.39Å; A160-R184 PolarHBondContact O-N 3.43Å; V161-R184 HydrophobicContact CG2-CB 4.23Å; R184-L265 PolarHBondContact NH2-O 3.41Å
185G98.5Very high97.6Very high0 Ų032 Ų320%017%0.168CC..EExtended strand (participates in β ladder)trans-164.8162.5177.100000112.3A160 V161 L162 L183 P208A160-G185 PolarHBondContact O-N 3.31Å; V161-G185 VanDerWaalsContact CA-O 3.32Å; V161-G185 WeakPolarHBondContact CA-O 3.47Å; L162-G185 PolarHBondContact N-O 3.4Å; L183-G185 VanDerWaalsContact C-N 3.34Å; G185-P208 CarbonylContact C-O 3.6Å; G185-P208 WeakPolarHBondContact CA-O 3.25Å
186Y98.9Very high97.5Very high0 Ų036.3 Ų36.30%020%0.198CC..EExtended strand (participates in β ladder)trans-130.2131.1176.1-175.8-134.1000110.5L162 S172 I173 F176 P188 P208 T209 L210L162-Y186 HydrophobicContact CB-CD2 4.15Å; L162-Y186 HydrophobicContact CD2-CD2 4.37Å; L162-Y186 HydrophobicContact CD2-CE2 4.25Å; L162-Y186 HydrophobicContact CG-CD2 4.32Å; L162-Y186 HydrophobicContact CG-CE2 4.35Å; L162-Y186 VanDerWaalsContact O-CD2 3.28Å; L162-Y186 WeakPolarHBondContact O-CD2 3.35Å; S172-Y186 PolarHBondContact OG-OH 2.9Å; I173-Y186 HydrophobicContact CD1-CE1 4.26Å; I173-Y186 WeakPolarHBondContact CD1-OH 3.23Å; F176-Y186 HydrophobicContact CD1-CD1 4.04Å; F176-Y186 HydrophobicContact CD1-CE1 4.11Å; F176-Y186 AromaticContact CD2-CD1 3.72Å; F176-Y186 HydrophobicContact CD2-CD1 3.72Å; F176-Y186 HydrophobicContact CD2-CD2 4.41Å; F176-Y186 HydrophobicContact CD2-CE1 4.34Å; F176-Y186 AromaticContact CD2-CG 3.78Å; F176-Y186 HydrophobicContact CD2-CG 3.78Å; F176-Y186 AromaticContact CE1-CD1 3.95Å; F176-Y186 HydrophobicContact CE1-CD1 3.95Å; F176-Y186 HydrophobicContact CE1-CE1 4.34Å; F176-Y186 AromaticContact CE2-CD1 3.63Å; F176-Y186 HydrophobicContact CE2-CD1 3.63Å; F176-Y186 AromaticContact CE2-CG 3.78Å; F176-Y186 HydrophobicContact CE2-CG 3.78Å; F176-Y186 AromaticContact CG-CD1 3.92Å; F176-Y186 HydrophobicContact CG-CD1 3.92Å; F176-Y186 HydrophobicContact CG-CE1 4.1Å; F176-Y186 HydrophobicContact CG-CG 4.35Å; F176-Y186 AromaticContact CZ-CD1 3.73Å; F176-Y186 HydrophobicContact CZ-CD1 3.73Å; F176-Y186 HydrophobicContact CZ-CG 4.32Å; Y186-P188 HydrophobicContact CD1-CB 4.28Å; Y186-P188 HydrophobicContact CD1-CG 3.78Å; Y186-P188 HydrophobicContact CE1-CB 3.6Å; Y186-P188 HydrophobicContact CE1-CG 3.57Å; Y186-P188 HydrophobicContact CE2-CB 4.46Å; Y186-P188 WeakPolarHBondContact O-CD 3.46Å; Y186-P208 PolarHBondContact N-O 3.47Å; Y186-T209 HydrophobicContact CD1-CG2 3.95Å; Y186-T209 CarbonylContact O-C 3.53Å; Y186-T209 VanDerWaalsContact O-CA 3.23Å; Y186-T209 WeakPolarHBondContact O-CA 3.3Å; Y186-T209 WeakPolarHBondContact O-CG2 3.28Å; Y186-L210 PolarHBondContact O-N 3.26Å
187V98.9Very high97.5Very high0 Ų038.1 Ų38.10%021%0.205CC..EExtended strand (participates in β ladder)trans-122.275.5179.3-171.30000109.2V161 L162 L163 S164 L210 V212 L258 F261V161-V187 HydrophobicContact CG1-CG2 3.86Å; L162-V187 PolarHBondContact O-N 3.18Å; L163-V187 WeakPolarHBondContact CA-O 3.19Å; L163-V187 HydrophobicContact CB-CB 4.3Å; L163-V187 HydrophobicContact CG-CB 4.15Å; L163-V187 HydrophobicContact CG-CG1 4.24Å; S164-V187 PolarHBondContact N-O 2.87Å; V187-L210 WeakPolarHBondContact CA-O 3.49Å; V187-L210 HydrophobicContact CG1-CB 4.37Å; V187-L210 HydrophobicContact CG1-CD2 4.25Å; V187-L210 HydrophobicContact CG2-CB 4.29Å; V187-V212 HydrophobicContact CG1-CG2 3.85Å; V187-L258 HydrophobicContact CG1-CD1 4.22Å; V187-L258 HydrophobicContact CG2-CD1 3.99Å; V187-F261 HydrophobicContact CG2-CD1 4.03Å; V187-F261 HydrophobicContact CG2-CE1 3.8Å
188P98.9Very high97.5Very high0 Ų039.5 Ų39.50%022%0.217CC..EExtended strand (participates in β ladder)trans-71131.3173.325.5-30.5000110.9S164 Y186 P191 T209 L210 V212 L228S164-P188 WeakPolarHBondContact O-CA 3.22Å; Y186-P188 HydrophobicContact CD1-CB 4.28Å; Y186-P188 HydrophobicContact CD1-CG 3.78Å; Y186-P188 HydrophobicContact CE1-CB 3.6Å; Y186-P188 HydrophobicContact CE1-CG 3.57Å; Y186-P188 HydrophobicContact CE2-CB 4.46Å; Y186-P188 WeakPolarHBondContact O-CD 3.46Å; P188-P191 HydrophobicContact CB-CG 3.6Å; P188-T209 HydrophobicContact CG-CG2 3.81Å; P188-L210 VanDerWaalsContact CD-O 3.31Å; P188-L210 WeakPolarHBondContact CD-O 3.3Å; P188-V212 PolarHBondContact O-N 3.04Å; P188-L228 HydrophobicContact CB-CD1 3.85Å; P188-L228 HydrophobicContact CG-CD1 3.75Å
189I98.8Very high97.5Very high1 Ų136.9 Ų36.91%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-115.996.6172.8-40.2-177.3000109.7W105 L163 S164 P165 S166 P191 V212 C246 Y247 F254W105-I189 HydrophobicContact CH2-CD1 4.39Å; L163-I189 HydrophobicContact CD2-CD1 3.87Å; L163-I189 HydrophobicContact CD2-CG1 4.43Å; S164-I189 PolarHBondContact O-N 2.94Å; P165-I189 CarbonylContact C-O 3.48Å; P165-I189 VanDerWaalsContact CA-O 3.23Å; P165-I189 WeakPolarHBondContact CA-O 3.45Å; P165-I189 HydrophobicContact CB-CB 3.98Å; P165-I189 HydrophobicContact CB-CD1 4.45Å; P165-I189 HydrophobicContact CB-CG1 4.47Å; S166-I189 PolarHBondContact N-O 3.17Å; I189-P191 VanDerWaalsContact C-CD 3.48Å; I189-V212 VanDerWaalsContact CA-O 3.31Å; I189-V212 WeakPolarHBondContact CA-O 3.39Å; I189-V212 HydrophobicContact CB-CB 4.29Å; I189-V212 HydrophobicContact CG1-CB 4Å; I189-V212 HydrophobicContact CG1-CG2 4.36Å; I189-V212 HydrophobicContact CG2-CB 4.02Å; I189-V212 HydrophobicContact CG2-CG1 4.03Å; I189-C246 WeakPolarHBondContact CG2-SG 3.4Å; I189-Y247 HydrophobicContact CD1-CD1 3.8Å; I189-Y247 HydrophobicContact CD1-CE1 4.35Å; I189-Y247 HydrophobicContact CD1-CG 4.31Å; I189-Y247 HydrophobicContact CG2-CD1 4.03Å; I189-Y247 HydrophobicContact CG2-CE1 4.49Å; I189-F254 HydrophobicContact CD1-CE2 3.58Å; I189-F254 HydrophobicContact CD1-CZ 3.7Å
190A98.6Very high97.6Very high0 Ų040.7 Ų40.70%023%0.23CC..SBendtrans43.550.6-174.900000115S166 V212 D217 L220 S224S166-A190 WeakPolarHBondContact CA-O 3.49Å; A190-V212 PolarHBondContact N-O 2.9Å; A190-D217 WeakPolarHBondContact CB-OD2 3.38Å; A190-L220 WeakPolarHBondContact O-CD2 3.41Å; A190-L220 WeakPolarHBondContact O-CG 3.34Å; A190-S224 WeakPolarHBondContact CA-OG 3.33Å
191P98.7Very high97.7Very high1 Ų143.6 Ų43.61%0.00624%0.241CC..  trans-74.5147.5-17232.8-38.9000113S166 I173 P188 I189 T194 L228S166-P191 WeakPolarHBondContact O-CA 3.42Å; I173-P191 HydrophobicContact CD1-CB 4.46Å; I173-P191 HydrophobicContact CD1-CG 4.14Å; I173-P191 HydrophobicContact CG1-CB 4.47Å; P188-P191 HydrophobicContact CB-CG 3.6Å; I189-P191 VanDerWaalsContact C-CD 3.48Å; P191-T194 HydrophobicContact CG-CG2 3.87Å; P191-L228 HydrophobicContact CG-CD1 4.06Å
192V98.6Very high98Very high29 Ų2938.8 Ų38.818%0.17620%0.201CC..THydrogen-bonded Turntrans-70.7168.8166.1-57.70000111.5S166 G169 H170 I173 T194 L220S166-V192 WeakPolarHBondContact O-CG2 3.36Å; S166-V192 PolarHBondContact O-N 3.4Å; G169-V192 CarbonylContact C-O 3.52Å; G169-V192 WeakPolarHBondContact CA-O 3.27Å; H170-V192 HydrophobicContact CB-CG2 4.37Å; H170-V192 VanDerWaalsContact CD2-CG2 3.49Å; H170-V192 WeakPolarHBondContact CD2-CG2 3.46Å; I173-V192 WeakPolarHBondContact CG1-O 3.4Å; V192-T194 VanDerWaalsContact C-N 3.26Å; V192-T194 PolarHBondContact O-N 2.98Å; V192-L220 HydrophobicContact CG1-CD1 4.3Å; V192-L220 HydrophobicContact CG1-CD2 3.76Å
193G97.6Very high98.2Very high23 Ų2341.1 Ų41.124%0.23721%0.21CC..THydrogen-bonded Turntrans81.8-7.6174.100000115.4R195 S196G193-R195 PolarHBondContact O-N 3.39Å; G193-R195 VanDerWaalsContact O-N 3.14Å; G193-S196 WeakPolarHBondContact O-CB 3.47Å; G193-S196 PolarHBondContact O-N 3.25Å; G193-S196 VanDerWaalsContact O-N 3.07Å; G193-S196 PolarHBondContact O-OG 3.05Å
194T98.3Very high98.2Very high0 Ų047.3 Ų47.30%024%0.237CC..G310 helixtrans-64.5-20-177.8480000114.4I173 P191 V192 S196 Y202 Q223 N227 L228I173-T194 HydrophobicContact CD1-CG2 3.61Å; I173-T194 HydrophobicContact CG1-CG2 4.13Å; P191-T194 HydrophobicContact CG-CG2 3.87Å; V192-T194 VanDerWaalsContact C-N 3.26Å; V192-T194 PolarHBondContact O-N 2.98Å; T194-S196 VanDerWaalsContact C-N 3.32Å; T194-Y202 WeakPolarHBondContact CA-OH 3.46Å; T194-Y202 PolarHBondContact O-OH 3.4Å; T194-Q223 PolarHBondContact OG1-NE2 2.75Å; T194-N227 PolarHBondContact O-ND2 2.98Å; T194-L228 HydrophobicContact CG2-CD1 4.03Å; T194-L228 HydrophobicContact CG2-CD2 4.13Å; T194-L228 HydrophobicContact CG2-CG 3.98Å
195R97.6Very high98.2Very high179 Ų17944.1 Ų44.168%0.67523%0.225SC*.G310 helixtrans-78.1-14.6175.7-63.5-175.2-177.9-137.13.8113.8G193 Y197 Q223G193-R195 PolarHBondContact O-N 3.39Å; G193-R195 VanDerWaalsContact O-N 3.14Å; R195-Y197 PolarHBondContact O-N 3.39Å; R195-Q223 HydrophobicContact CG-CG 4.34Å; R195-Q223 VanDerWaalsContact NE-CG 3.27Å
196S97.2Very high98.2Very high89 Ų8949.8 Ų49.862%0.62225%0.252SS*.G310 helixtrans-70.2-11.9-177.5-56.60000113.2G193 T194G193-S196 WeakPolarHBondContact O-CB 3.47Å; G193-S196 PolarHBondContact O-N 3.25Å; G193-S196 VanDerWaalsContact O-N 3.07Å; G193-S196 PolarHBondContact O-OG 3.05Å; T194-S196 VanDerWaalsContact C-N 3.32Å
197Y97.4Very high98.2Very high38 Ų3850.3 Ų50.315%0.14926%0.255CS..SBendtrans-126.1140-177.2-60.5-86.7000110.8E141 I173 M177 R195 H201 Y202E141-Y197 PolarHBondContact OE1-OH 3.43Å; E141-Y197 PolarHBondContact OE2-OH 3.05Å; I173-Y197 HydrophobicContact CG2-CD2 3.68Å; I173-Y197 HydrophobicContact CG2-CE2 3.61Å; M177-Y197 HydrophobicContact CB-CD1 4.33Å; M177-Y197 HydrophobicContact CB-CE1 3.84Å; M177-Y197 HydrophobicContact CE-CD1 4.17Å; M177-Y197 HydrophobicContact CE-CD2 3.89Å; M177-Y197 HydrophobicContact CE-CG 3.59Å; M177-Y197 HydrophobicContact CG-CD1 3.7Å; M177-Y197 HydrophobicContact CG-CD2 3.84Å; M177-Y197 HydrophobicContact CG-CE1 3.6Å; M177-Y197 HydrophobicContact CG-CE2 3.75Å; M177-Y197 HydrophobicContact CG-CG 3.81Å; M177-Y197 HydrophobicContact SD-CD1 3.68Å; M177-Y197 HydrophobicContact SD-CD2 4.3Å; M177-Y197 HydrophobicContact SD-CE1 4.16Å; M177-Y197 HydrophobicContact SD-CG 3.75Å; R195-Y197 PolarHBondContact O-N 3.39Å; Y197-H201 HydrophobicContact CD1-CB 4.43Å; Y197-Y202 WeakPolarHBondContact O-CE2 3.41Å
198S98.1Very high98.2Very high61 Ų6152.2 Ų52.243%0.42727%0.267SS..  trans-75.7162.7177.172.40000112.4Q200 H201 Y202S198-Q200 PolarHBondContact O-N 3.09Å; S198-Q200 VanDerWaalsContact O-N 3.13Å; S198-H201 PolarHBondContact N-ND1 3.42Å; S198-H201 WeakPolarHBondContact O-CB 3.49Å; S198-H201 PolarHBondContact O-N 3.49Å; S198-H201 PolarHBondContact OG-CE1 3.42Å; S198-H201 PolarHBondContact OG-ND1 2.84Å; S198-Y202 WeakPolarHBondContact O-CD2 3.36Å; S198-Y202 PolarHBondContact O-N 2.68Å
199A98.1Very high98.2Very high41 Ų4152.3 Ų52.334%0.33927%0.267SS..Hα-helixtrans-52.6-34.717400000113H201 Y202 K203 Q230A199-H201 VanDerWaalsContact C-N 3.28Å; A199-H201 PolarHBondContact O-N 3Å; A199-Y202 PolarHBondContact O-N 3.39Å; A199-K203 WeakPolarHBondContact O-CG 3.15Å; A199-K203 PolarHBondContact O-N 3.15Å; A199-Q230 HydrophobicContact CB-CB 4.24Å; A199-Q230 HydrophobicContact CB-CG 3.77Å
200Q98.2Very high98.2Very high112 Ų11252.5 Ų52.552%0.52327%0.269SS..Hα-helixtrans-68.1-27.1178.9-169.959.517.800113.1S198 K204S198-Q200 PolarHBondContact O-N 3.09Å; S198-Q200 VanDerWaalsContact O-N 3.13Å; Q200-K204 WeakPolarHBondContact O-CG 3.45Å
201H98.3Very high98.2Very high89 Ų8952.6 Ų52.641%0.41227%0.269SS..Hα-helixtrans-69.4-49.5172-66.499.5000110.3M177 Y197 S198 A199 K203 K204M177-H201 HydrophobicContact CE-CB 4.47Å; M177-H201 HydrophobicContact SD-CB 3.99Å; Y197-H201 HydrophobicContact CD1-CB 4.43Å; S198-H201 PolarHBondContact N-ND1 3.42Å; S198-H201 WeakPolarHBondContact O-CB 3.49Å; S198-H201 PolarHBondContact O-N 3.49Å; S198-H201 PolarHBondContact OG-CE1 3.42Å; S198-H201 PolarHBondContact OG-ND1 2.84Å; A199-H201 VanDerWaalsContact C-N 3.28Å; A199-H201 PolarHBondContact O-N 3Å; H201-K203 VanDerWaalsContact C-N 3.34Å; H201-K203 PolarHBondContact O-N 3.49Å; H201-K204 PolarHBondContact O-N 2.99Å; H201-K204 VanDerWaalsContact O-N 3.17Å
202Y98.5Very high98.2Very high1 Ų152.5 Ų52.50%0.00427%0.269CS..Hα-helixtrans-59.9-41178.5-68.6-70.5000112.8M177 T194 Y197 S198 A199 K204 I205 N227 L228 Q230 L231M177-Y202 HydrophobicContact CE-CD1 3.34Å; M177-Y202 HydrophobicContact CE-CD2 4.3Å; M177-Y202 HydrophobicContact CE-CE1 3.01Å; M177-Y202 HydrophobicContact CE-CE2 4.05Å; M177-Y202 HydrophobicContact CE-CG 3.98Å; T194-Y202 WeakPolarHBondContact CA-OH 3.46Å; T194-Y202 PolarHBondContact O-OH 3.4Å; Y197-Y202 WeakPolarHBondContact O-CE2 3.41Å; S198-Y202 WeakPolarHBondContact O-CD2 3.36Å; S198-Y202 PolarHBondContact O-N 2.68Å; A199-Y202 PolarHBondContact O-N 3.39Å; Y202-K204 PolarHBondContact O-N 3.15Å; Y202-K204 VanDerWaalsContact O-N 3.08Å; Y202-I205 PolarHBondContact O-N 2.99Å; Y202-N227 HydrophobicContact CE2-CB 4.28Å; Y202-L228 HydrophobicContact CD1-CD2 4.16Å; Y202-L228 HydrophobicContact CE1-CD2 3.59Å; Y202-Q230 HydrophobicContact CG-CB 4.47Å; Y202-L231 HydrophobicContact CD1-CD2 4.09Å; Y202-L231 HydrophobicContact CD1-CG 4.16Å; Y202-L231 WeakPolarHBondContact O-CD2 3.38Å
203K98.3Very high98.2Very high110 Ų11051.9 Ų51.948%0.47826%0.263SS..THydrogen-bonded Turntrans-60.5-19.6178.7-76.3177.2179.6-176.40114.6A199 H201 Q230A199-K203 WeakPolarHBondContact O-CG 3.15Å; A199-K203 PolarHBondContact O-N 3.15Å; H201-K203 VanDerWaalsContact C-N 3.34Å; H201-K203 PolarHBondContact O-N 3.49Å; K203-Q230 VanDerWaalsContact CG-O 3.3Å; K203-Q230 WeakPolarHBondContact CG-O 3.4Å
204K97.8Very high98.3Very high143 Ų14350.8 Ų50.862%0.62225%0.252SS*.THydrogen-bonded Turntrans-84.4-17.5178.2-68.3172.9-178.7-176.80113.1Q200 H201 Y202Q200-K204 WeakPolarHBondContact O-CG 3.45Å; H201-K204 PolarHBondContact O-N 2.99Å; H201-K204 VanDerWaalsContact O-N 3.17Å; Y202-K204 PolarHBondContact O-N 3.15Å; Y202-K204 VanDerWaalsContact O-N 3.08Å
205I97.9Very high98.3Very high9 Ų951.9 Ų51.95%0.04626%0.261CS..  trans-84.6127-174.9-62176.2000109.5F176 M177 Y202 L231 P232F176-I205 HydrophobicContact CD1-CD1 3.59Å; F176-I205 HydrophobicContact CE1-CB 4.46Å; F176-I205 HydrophobicContact CE1-CD1 3.46Å; F176-I205 VanDerWaalsContact CE1-CD1 3.46Å; F176-I205 HydrophobicContact CE1-CG2 3.94Å; F176-I205 HydrophobicContact CE2-CG2 3.85Å; F176-I205 HydrophobicContact CG-CD1 4.33Å; F176-I205 HydrophobicContact CZ-CB 4.39Å; F176-I205 HydrophobicContact CZ-CD1 4.12Å; F176-I205 HydrophobicContact CZ-CG2 3.45Å; F176-I205 VanDerWaalsContact CZ-CG2 3.45Å; M177-I205 HydrophobicContact CE-CD1 4.13Å; M177-I205 HydrophobicContact SD-CD1 3.75Å; Y202-I205 PolarHBondContact O-N 2.99Å; I205-L231 HydrophobicContact CB-CD2 3.72Å; I205-L231 HydrophobicContact CD1-CD2 4.34Å; I205-L231 HydrophobicContact CG2-CD2 4.04Å; I205-P232 WeakPolarHBondContact O-CD 3.25Å; I205-P232 WeakPolarHBondContact O-CG 3.49Å
206Q97.7Very high98.3Very high120 Ų12048.3 Ų48.356%0.56126%0.255SS*.  trans-97.7-9.6-179.5-61.1-58.7-27.400113.6P208 N233Q206-P208 WeakPolarHBondContact O-CD 3.26Å; Q206-N233 PolarHBondContact O-ND2 3.24Å; Q206-N233 PolarHBondContact OE1-ND2 3Å; Q206-N233 VanDerWaalsContact OE1-ND2 3.11Å
207T98.3Very high98.3Very high11 Ų1144.8 Ų44.87%0.06723%0.229CC..SBendtrans-59.2122.9-177.4-54.30000111.1F176 S180 L183 T209F176-T207 HydrophobicContact CE2-CG2 3.97Å; S180-T207 WeakPolarHBondContact CB-OG1 3.24Å; S180-T207 PolarHBondContact O-OG1 3.39Å; L183-T207 HydrophobicContact CB-CG2 3.82Å; T207-T209 PolarHBondContact O-N 3.02Å; T207-T209 PolarHBondContact O-OG1 3.36Å
208P98.6Very high98.3Very high40 Ų4048.6 Ų48.626%0.2626%0.256SS..  trans-52.9132.2173.5-29.537.7000111.7G185 Y186 Q206 N233 F261 L265G185-P208 CarbonylContact C-O 3.6Å; G185-P208 WeakPolarHBondContact CA-O 3.25Å; Y186-P208 PolarHBondContact N-O 3.47Å; Q206-P208 WeakPolarHBondContact O-CD 3.26Å; P208-N233 WeakPolarHBondContact CA-O 3.39Å; P208-F261 HydrophobicContact CB-CE2 4.2Å; P208-F261 HydrophobicContact CB-CZ 4.18Å; P208-L265 HydrophobicContact CB-CD2 3.37Å; P208-L265 HydrophobicContact CG-CD2 3.72Å
209T98.9Very high98.1Very high1 Ų151.5 Ų51.51%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-132.1127.2-173.1-59.30000112.1Y186 P188 T207 I211 L231 N233 H234 E235Y186-T209 HydrophobicContact CD1-CG2 3.95Å; Y186-T209 CarbonylContact O-C 3.53Å; Y186-T209 VanDerWaalsContact O-CA 3.23Å; Y186-T209 WeakPolarHBondContact O-CA 3.3Å; Y186-T209 WeakPolarHBondContact O-CG2 3.28Å; P188-T209 HydrophobicContact CG-CG2 3.81Å; T207-T209 PolarHBondContact O-N 3.02Å; T207-T209 PolarHBondContact O-OG1 3.36Å; T209-I211 HydrophobicContact CG2-CG1 3.94Å; T209-L231 HydrophobicContact CG2-CD1 3.82Å; T209-N233 PolarHBondContact N-O 2.81Å; T209-H234 CarbonylContact O-C 3.55Å; T209-H234 VanDerWaalsContact O-CA 3.26Å; T209-H234 WeakPolarHBondContact O-CA 3.41Å; T209-E235 PolarHBondContact O-N 3.16Å
210L98.9Very high98.1Very high6 Ų651.4 Ų51.43%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-99.1102.7168-179.266.9000109.6Y186 V187 P188 V212 E235 L237 F261Y186-L210 PolarHBondContact O-N 3.26Å; V187-L210 WeakPolarHBondContact CA-O 3.49Å; V187-L210 HydrophobicContact CG1-CB 4.37Å; V187-L210 HydrophobicContact CG1-CD2 4.25Å; V187-L210 HydrophobicContact CG2-CB 4.29Å; P188-L210 VanDerWaalsContact CD-O 3.31Å; P188-L210 WeakPolarHBondContact CD-O 3.3Å; L210-V212 HydrophobicContact CD2-CG2 4.09Å; L210-V212 HydrophobicContact CG-CG2 3.93Å; L210-V212 PolarHBondContact O-N 3.14Å; L210-E235 HydrophobicContact CD1-CB 3.89Å; L210-L237 HydrophobicContact CD1-CB 3.97Å; L210-L237 HydrophobicContact CD2-CD2 4.41Å; L210-L237 HydrophobicContact CG-CB 4.41Å; L210-F261 HydrophobicContact CB-CB 4.32Å; L210-F261 HydrophobicContact CB-CD1 3.78Å; L210-F261 HydrophobicContact CB-CD2 3.88Å; L210-F261 HydrophobicContact CB-CE1 3.97Å; L210-F261 HydrophobicContact CB-CE2 4.07Å; L210-F261 HydrophobicContact CB-CG 3.73Å; L210-F261 HydrophobicContact CB-CZ 4.11Å; L210-F261 HydrophobicContact CD1-CB 4.49Å; L210-F261 HydrophobicContact CD2-CB 3.82Å; L210-F261 HydrophobicContact CD2-CD1 4.28Å; L210-F261 HydrophobicContact CD2-CG 4.11Å; L210-F261 HydrophobicContact CG-CB 4.43Å; L210-F261 HydrophobicContact CG-CG 4.36Å
211I98.9Very high98Very high1 Ų146 Ų461%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-80.6114.7178.5-54.9167.9000108.8T209 F213 L228 I229 H234 E235 V236 L237T209-I211 HydrophobicContact CG2-CG1 3.94Å; I211-F213 HydrophobicContact CG2-CD1 4.47Å; I211-L228 VanDerWaalsContact CD1-C 3.5Å; I211-L228 HydrophobicContact CD1-CB 3.58Å; I211-L228 HydrophobicContact CG1-CB 3.97Å; I211-L228 HydrophobicContact CG2-CB 4.39Å; I211-L228 HydrophobicContact CG2-CD1 4.34Å; I211-I229 HydrophobicContact CD1-CG2 4.3Å; I211-H234 HydrophobicContact CD1-CB 3.9Å; I211-H234 HydrophobicContact CG1-CB 4.44Å; I211-E235 PolarHBondContact N-O 2.95Å; I211-V236 WeakPolarHBondContact O-CA 3.34Å; I211-L237 PolarHBondContact O-N 2.74Å
212V98.9Very high97.9Very high0 Ų043.9 Ų43.90%023%0.233CC..EExtended strand (participates in β ladder)trans-111.5135.9-178.9-167.90000110.5V187 P188 I189 A190 L210 L237 L239 F254V187-V212 HydrophobicContact CG1-CG2 3.85Å; P188-V212 PolarHBondContact O-N 3.04Å; I189-V212 VanDerWaalsContact CA-O 3.31Å; I189-V212 WeakPolarHBondContact CA-O 3.39Å; I189-V212 HydrophobicContact CB-CB 4.29Å; I189-V212 HydrophobicContact CG1-CB 4Å; I189-V212 HydrophobicContact CG1-CG2 4.36Å; I189-V212 HydrophobicContact CG2-CB 4.02Å; I189-V212 HydrophobicContact CG2-CG1 4.03Å; A190-V212 PolarHBondContact N-O 2.9Å; L210-V212 HydrophobicContact CD2-CG2 4.09Å; L210-V212 HydrophobicContact CG-CG2 3.93Å; L210-V212 PolarHBondContact O-N 3.14Å; V212-L237 WeakPolarHBondContact CA-O 3.42Å; V212-L237 HydrophobicContact CG1-CB 4.44Å; V212-L237 HydrophobicContact CG1-CD2 4.21Å; V212-L237 HydrophobicContact CG1-CG 4.36Å; V212-L237 HydrophobicContact CG2-CB 4.26Å; V212-L237 HydrophobicContact CG2-CD2 4.31Å; V212-L239 HydrophobicContact CG1-CD1 4.31Å; V212-F254 HydrophobicContact CG1-CD2 4.19Å; V212-F254 HydrophobicContact CG1-CE2 4.43Å; V212-F254 HydrophobicContact CG2-CE2 4.49Å
213F98.8Very high97.8Very high15 Ų1545.2 Ų45.27%0.06624%0.24CC..EExtended strand (participates in β ladder)trans-159.5156.1169.964.6-77.6000111.5I211 H225 V236 L237 K238 L239I211-F213 HydrophobicContact CG2-CD1 4.47Å; F213-H225 HydrophobicContact CD1-CB 4.02Å; F213-H225 HydrophobicContact CE1-CB 3.8Å; F213-H225 AromaticContact CE1-CD2 3.56Å; F213-H225 AromaticContact CE1-CG 3.48Å; F213-H225 VanDerWaalsContact CE1-CG 3.48Å; F213-H225 AromaticContact CE1-ND1 3.87Å; F213-H225 HydrophobicContact CZ-CB 4.13Å; F213-H225 AromaticContact CZ-CE1 3.97Å; F213-H225 AromaticContact CZ-CG 3.71Å; F213-H225 AromaticContact CZ-ND1 3.62Å; F213-V236 HydrophobicContact CD1-CG1 4.46Å; F213-V236 HydrophobicContact CE1-CG1 3.62Å; F213-V236 HydrophobicContact CZ-CG1 4.43Å; F213-L237 PolarHBondContact N-O 3.06Å; F213-K238 HydrophobicContact CD2-CG 4.39Å; F213-K238 HydrophobicContact CE1-CB 4.15Å; F213-K238 HydrophobicContact CE1-CG 4.48Å; F213-K238 HydrophobicContact CE2-CB 4.33Å; F213-K238 HydrophobicContact CE2-CD 4.05Å; F213-K238 HydrophobicContact CE2-CG 3.77Å; F213-K238 HydrophobicContact CZ-CB 3.91Å; F213-K238 HydrophobicContact CZ-CD 4.02Å; F213-K238 HydrophobicContact CZ-CG 3.82Å; F213-K238 WeakPolarHBondContact O-CA 3.3Å; F213-L239 PolarHBondContact O-N 3.26Å
214G98.6Very high97.8Very high0 Ų040 Ų400%022%0.217CC..EExtended strand (participates in β ladder)trans-81.3140.6173.200000112L216 D217 A242G214-L216 PolarHBondContact O-N 3.08Å; G214-D217 WeakPolarHBondContact O-CB 3.11Å; G214-D217 PolarHBondContact O-N 3.05Å; G214-A242 CarbonylContact C-O 3.5Å; G214-A242 WeakPolarHBondContact CA-O 3.23Å
215A98.3Very high97.9Very high23 Ų2335.7 Ų35.719%0.1920%0.199CC..THydrogen-bonded Turntrans-60.1-27.9179.200000113.9K238 L239 E240 A242A215-K238 VanDerWaalsContact CB-CE 3.44Å; A215-K238 HydrophobicContact CB-CG 4.29Å; A215-L239 WeakPolarHBondContact CB-O 3.38Å; A215-L239 PolarHBondContact N-O 2.93Å; A215-E240 WeakPolarHBondContact CB-OE2 3.4Å; A215-A242 PolarHBondContact N-O 3.42Å
216L98.3Very high97.9Very high104 Ų10442.4 Ų42.455%0.54523%0.228SC..THydrogen-bonded Turntrans-90.4-2.8178.1-53.5179.8000112.7G214 T218 G241 A242 R243G214-L216 PolarHBondContact O-N 3.08Å; L216-T218 PolarHBondContact O-N 3.33Å; L216-G241 WeakPolarHBondContact CD1-O 3.17Å; L216-A242 WeakPolarHBondContact CB-O 3.13Å; L216-A242 PolarHBondContact N-O 3.25Å; L216-R243 HydrophobicContact CB-CG 4.34Å; L216-R243 HydrophobicContact CD1-CG 4.32Å
217D97.8Very high97.9Very high16 Ų1638.3 Ų38.39%0.08621%0.21CC..  trans-83.370.8171.3-173.43.3000110.8A190 G214 N219 L220 G221 A222 H244A190-D217 WeakPolarHBondContact CB-OD2 3.38Å; G214-D217 WeakPolarHBondContact O-CB 3.11Å; G214-D217 PolarHBondContact O-N 3.05Å; D217-N219 PolarHBondContact O-N 3.08Å; D217-L220 PolarHBondContact OD1-N 2.77Å; D217-G221 PolarHBondContact OD1-N 3.19Å; D217-G221 VanDerWaalsContact OD1-N 3.09Å; D217-G221 VanDerWaalsContact OD2-CA 3.24Å; D217-G221 WeakPolarHBondContact OD2-CA 3.32Å; D217-G221 PolarHBondContact OD2-N 3.08Å; D217-A222 PolarHBondContact O-N 3.43Å; D217-H244 HydrophobicContact CB-CB 4.45Å; D217-H244 IonicContact OD1-ND1 3.92Å; D217-H244 IonicContact OD2-CE1 3.72Å; D217-H244 IonicContact OD2-CG 3.61Å; D217-H244 IonicContact OD2-ND1 2.71Å; D217-H244 PolarHBondContact OD2-ND1 3.26Å
218T96Very high98Very high117 Ų11737.8 Ų37.872%0.71821%0.207SC*.THydrogen-bonded Turntrans-75.8-6.2-172.256.30000114.1L216 A222L216-T218 PolarHBondContact O-N 3.33Å; T218-A222 WeakPolarHBondContact O-CB 3.45Å
219N95.3Very high97.9Very high122 Ų12238.8 Ų38.865%0.65221%0.209SC*.THydrogen-bonded Turntrans-107-82177.9-167.18.3000111.1D217 Q223D217-N219 PolarHBondContact O-N 3.08Å; N219-Q223 WeakPolarHBondContact O-CB 3.28Å; N219-Q223 PolarHBondContact O-N 3.32Å
220L96.8Very high97.9Very high39 Ų3941.7 Ų41.720%0.20422%0.223CC..Hα-helixtrans-68.6-44.2-173.1-178.454.5000111.3A190 V192 D217 Q223 S224 H244A190-L220 WeakPolarHBondContact O-CD2 3.41Å; A190-L220 WeakPolarHBondContact O-CG 3.34Å; V192-L220 HydrophobicContact CG1-CD1 4.3Å; V192-L220 HydrophobicContact CG1-CD2 3.76Å; D217-L220 PolarHBondContact OD1-N 2.77Å; L220-Q223 PolarHBondContact O-N 3.35Å; L220-S224 WeakPolarHBondContact O-CB 3.32Å; L220-S224 PolarHBondContact O-N 3.25Å; L220-S224 PolarHBondContact O-OG 3.07Å; L220-S224 VanDerWaalsContact O-OG 3.14Å; L220-H244 VanDerWaalsContact CD2-CE1 3.47Å; L220-H244 WeakPolarHBondContact CD2-CE1 3.25Å
221G96.3Very high97.9Very high0 Ų041.5 Ų41.50%022%0.222CC..Hα-helixtrans-60.5-50.8177.300000112.7D217 Q223 S224 H225D217-G221 PolarHBondContact OD1-N 3.19Å; D217-G221 VanDerWaalsContact OD1-N 3.09Å; D217-G221 VanDerWaalsContact OD2-CA 3.24Å; D217-G221 WeakPolarHBondContact OD2-CA 3.32Å; D217-G221 PolarHBondContact OD2-N 3.08Å; G221-Q223 VanDerWaalsContact C-N 3.28Å; G221-Q223 PolarHBondContact O-N 3Å; G221-S224 PolarHBondContact O-N 3.28Å; G221-S224 PolarHBondContact O-OG 3.43Å; G221-H225 VanDerWaalsContact O-CB 3.23Å; G221-H225 WeakPolarHBondContact O-CB 3.48Å; G221-H225 PolarHBondContact O-N 2.77Å
222A96.2Very high97.9Very high43 Ų4344.5 Ų44.536%0.35524%0.241SC..Hα-helixtrans-58-41.2174.800000112.3D217 T218 K226D217-A222 PolarHBondContact O-N 3.43Å; T218-A222 WeakPolarHBondContact O-CB 3.45Å; A222-K226 WeakPolarHBondContact O-CB 3.37Å; A222-K226 PolarHBondContact O-N 3.04Å
223Q98.1Very high97.9Very high30 Ų3048 Ų4814%0.1426%0.26CS..Hα-helixtrans-68.3-46.4179.6-175.8-94.5-98.400112.8T194 R195 N219 L220 G221 H225 K226 N227T194-Q223 PolarHBondContact OG1-NE2 2.75Å; R195-Q223 HydrophobicContact CG-CG 4.34Å; R195-Q223 VanDerWaalsContact NE-CG 3.27Å; N219-Q223 WeakPolarHBondContact O-CB 3.28Å; N219-Q223 PolarHBondContact O-N 3.32Å; L220-Q223 PolarHBondContact O-N 3.35Å; G221-Q223 VanDerWaalsContact C-N 3.28Å; G221-Q223 PolarHBondContact O-N 3Å; Q223-H225 VanDerWaalsContact C-N 3.33Å; Q223-K226 PolarHBondContact O-N 3.5Å; Q223-N227 PolarHBondContact NE2-ND2 3.08Å; Q223-N227 PolarHBondContact O-N 3.26Å
224S98.2Very high97.9Very high0 Ų050.6 Ų50.60%027%0.272CS..Hα-helixtrans-66.4-40.417959.70000110.5A190 L220 G221 N227 L228A190-S224 WeakPolarHBondContact CA-OG 3.33Å; L220-S224 WeakPolarHBondContact O-CB 3.32Å; L220-S224 PolarHBondContact O-N 3.25Å; L220-S224 PolarHBondContact O-OG 3.07Å; L220-S224 VanDerWaalsContact O-OG 3.14Å; G221-S224 PolarHBondContact O-N 3.28Å; G221-S224 PolarHBondContact O-OG 3.43Å; S224-N227 PolarHBondContact O-N 3.47Å; S224-L228 WeakPolarHBondContact O-CB 3.13Å; S224-L228 VanDerWaalsContact O-CG 3.28Å; S224-L228 WeakPolarHBondContact O-CG 3.49Å; S224-L228 PolarHBondContact O-N 3.29Å
225H98.5Very high97.9Very high52 Ų5253.8 Ų53.824%0.24129%0.287CS..Hα-helixtrans-57.1-52174.8173.2-128.2000110.9F213 G221 Q223 N227 L228 I229F213-H225 HydrophobicContact CD1-CB 4.02Å; F213-H225 HydrophobicContact CE1-CB 3.8Å; F213-H225 AromaticContact CE1-CD2 3.56Å; F213-H225 AromaticContact CE1-CG 3.48Å; F213-H225 VanDerWaalsContact CE1-CG 3.48Å; F213-H225 AromaticContact CE1-ND1 3.87Å; F213-H225 HydrophobicContact CZ-CB 4.13Å; F213-H225 AromaticContact CZ-CE1 3.97Å; F213-H225 AromaticContact CZ-CG 3.71Å; F213-H225 AromaticContact CZ-ND1 3.62Å; G221-H225 VanDerWaalsContact O-CB 3.23Å; G221-H225 WeakPolarHBondContact O-CB 3.48Å; G221-H225 PolarHBondContact O-N 2.77Å; Q223-H225 VanDerWaalsContact C-N 3.33Å; H225-N227 PolarHBondContact O-N 3.48Å; H225-N227 VanDerWaalsContact O-N 3.08Å; H225-L228 PolarHBondContact O-N 2.88Å; H225-L228 VanDerWaalsContact O-N 3.14Å; H225-I229 WeakPolarHBondContact CD2-CG2 3.11Å; H225-I229 VanDerWaalsContact NE2-CG2 3.27Å; H225-I229 WeakPolarHBondContact NE2-CG2 3.49Å; H225-I229 WeakPolarHBondContact O-CG1 3.39Å; H225-I229 WeakPolarHBondContact O-CG2 3.44Å; H225-I229 PolarHBondContact O-N 3.37Å
226K98.4Very high97.9Very high150 Ų15056 Ų5665%0.65230%0.298SS*.Hα-helixtrans-52-36.4178.4-178.8179.6177.6179.20113.6A222 Q223 I229A222-K226 WeakPolarHBondContact O-CB 3.37Å; A222-K226 PolarHBondContact O-N 3.04Å; Q223-K226 PolarHBondContact O-N 3.5Å; K226-I229 VanDerWaalsContact O-CG1 3.28Å; K226-I229 WeakPolarHBondContact O-CG1 3.41Å
227N98.6Very high97.9Very high35 Ų3552.5 Ų52.519%0.18728%0.28CS..Hα-helixtrans-83.5-41.2-179.6-66-13.9000112.2T194 Y202 Q223 S224 H225 Q230T194-N227 PolarHBondContact O-ND2 2.98Å; Y202-N227 HydrophobicContact CE2-CB 4.28Å; Q223-N227 PolarHBondContact NE2-ND2 3.08Å; Q223-N227 PolarHBondContact O-N 3.26Å; S224-N227 PolarHBondContact O-N 3.47Å; H225-N227 PolarHBondContact O-N 3.48Å; H225-N227 VanDerWaalsContact O-N 3.08Å; N227-Q230 WeakPolarHBondContact O-CB 3.32Å; N227-Q230 VanDerWaalsContact O-CG 3.25Å; N227-Q230 WeakPolarHBondContact O-CG 3.13Å; N227-Q230 PolarHBondContact O-N 2.96Å
228L98.7Very high97.9Very high0 Ų056.2 Ų56.20%030%0.295CS..Hα-helixtrans-76.5-23.3-173.5-69169.6000113.3I173 P188 P191 T194 Y202 I211 S224 H225 Q230 L231I173-L228 HydrophobicContact CD1-CD2 4.49Å; P188-L228 HydrophobicContact CB-CD1 3.85Å; P188-L228 HydrophobicContact CG-CD1 3.75Å; P191-L228 HydrophobicContact CG-CD1 4.06Å; T194-L228 HydrophobicContact CG2-CD1 4.03Å; T194-L228 HydrophobicContact CG2-CD2 4.13Å; T194-L228 HydrophobicContact CG2-CG 3.98Å; Y202-L228 HydrophobicContact CD1-CD2 4.16Å; Y202-L228 HydrophobicContact CE1-CD2 3.59Å; I211-L228 VanDerWaalsContact CD1-C 3.5Å; I211-L228 HydrophobicContact CD1-CB 3.58Å; I211-L228 HydrophobicContact CG1-CB 3.97Å; I211-L228 HydrophobicContact CG2-CB 4.39Å; I211-L228 HydrophobicContact CG2-CD1 4.34Å; S224-L228 WeakPolarHBondContact O-CB 3.13Å; S224-L228 VanDerWaalsContact O-CG 3.28Å; S224-L228 WeakPolarHBondContact O-CG 3.49Å; S224-L228 PolarHBondContact O-N 3.29Å; H225-L228 PolarHBondContact O-N 2.88Å; H225-L228 VanDerWaalsContact O-N 3.14Å; L228-Q230 PolarHBondContact O-N 3.08Å; L228-L231 HydrophobicContact CB-CD1 4.4Å; L228-L231 HydrophobicContact CD2-CD1 4.03Å; L228-L231 VanDerWaalsContact O-CB 3.32Å; L228-L231 WeakPolarHBondContact O-CB 3.35Å; L228-L231 WeakPolarHBondContact O-CD1 3.48Å; L228-L231 VanDerWaalsContact O-CG 3.32Å; L228-L231 WeakPolarHBondContact O-CG 3.35Å; L228-L231 PolarHBondContact O-N 3.4Å
229I98.6Very high98.1Very high61 Ų6151 Ų5131%0.31326%0.262SS..THydrogen-bonded Turntrans-62-8.7172.459.2167000113.8I211 H225 K226 L231 H234I211-I229 HydrophobicContact CD1-CG2 4.3Å; H225-I229 WeakPolarHBondContact CD2-CG2 3.11Å; H225-I229 VanDerWaalsContact NE2-CG2 3.27Å; H225-I229 WeakPolarHBondContact NE2-CG2 3.49Å; H225-I229 WeakPolarHBondContact O-CG1 3.39Å; H225-I229 WeakPolarHBondContact O-CG2 3.44Å; H225-I229 PolarHBondContact O-N 3.37Å; K226-I229 VanDerWaalsContact O-CG1 3.28Å; K226-I229 WeakPolarHBondContact O-CG1 3.41Å; I229-L231 PolarHBondContact O-N 3.23Å; I229-H234 PolarHBondContact O-CE1 3.06Å
230Q98.6Very high98.2Very high62 Ų6250.7 Ų50.729%0.2926%0.257SS..THydrogen-bonded Turntrans-75.5-11.8173.2-56.4-59.3-51.400112.7A199 Y202 K203 N227 L228A199-Q230 HydrophobicContact CB-CB 4.24Å; A199-Q230 HydrophobicContact CB-CG 3.77Å; Y202-Q230 HydrophobicContact CG-CB 4.47Å; K203-Q230 VanDerWaalsContact CG-O 3.3Å; K203-Q230 WeakPolarHBondContact CG-O 3.4Å; N227-Q230 WeakPolarHBondContact O-CB 3.32Å; N227-Q230 VanDerWaalsContact O-CG 3.25Å; N227-Q230 WeakPolarHBondContact O-CG 3.13Å; N227-Q230 PolarHBondContact O-N 2.96Å; L228-Q230 PolarHBondContact O-N 3.08Å
231L98.8Very high98.3Very high2 Ų251.2 Ų51.21%0.0127%0.272CS..SBendtrans-66.7135.7173.5-70.4163.4000109.8F176 Y202 I205 T209 L228 I229 H234F176-L231 HydrophobicContact CE1-CD1 3.94Å; F176-L231 HydrophobicContact CE1-CD2 3.69Å; F176-L231 HydrophobicContact CE1-CG 4.45Å; F176-L231 HydrophobicContact CZ-CD1 4.05Å; F176-L231 HydrophobicContact CZ-CD2 3.86Å; Y202-L231 HydrophobicContact CD1-CD2 4.09Å; Y202-L231 HydrophobicContact CD1-CG 4.16Å; Y202-L231 WeakPolarHBondContact O-CD2 3.38Å; I205-L231 HydrophobicContact CB-CD2 3.72Å; I205-L231 HydrophobicContact CD1-CD2 4.34Å; I205-L231 HydrophobicContact CG2-CD2 4.04Å; T209-L231 HydrophobicContact CG2-CD1 3.82Å; L228-L231 HydrophobicContact CB-CD1 4.4Å; L228-L231 HydrophobicContact CD2-CD1 4.03Å; L228-L231 VanDerWaalsContact O-CB 3.32Å; L228-L231 WeakPolarHBondContact O-CB 3.35Å; L228-L231 WeakPolarHBondContact O-CD1 3.48Å; L228-L231 VanDerWaalsContact O-CG 3.32Å; L228-L231 WeakPolarHBondContact O-CG 3.35Å; L228-L231 PolarHBondContact O-N 3.4Å; I229-L231 PolarHBondContact O-N 3.23Å; L231-H234 HydrophobicContact CB-CB 4.27Å; L231-H234 PolarHBondContact O-CE1 3.42Å; L231-H234 PolarHBondContact O-ND1 2.88Å
232P98.3Very high98.4Very high64 Ų6451.2 Ų51.242%0.41627%0.272SS..SBendtrans-68.3-37.4-178.826.1-33.5000112.8I205I205-P232 WeakPolarHBondContact O-CD 3.25Å; I205-P232 WeakPolarHBondContact O-CG 3.49Å
233N98.2Very high98.5Very high72 Ų7256.6 Ų56.639%0.38528%0.283SS..SBendtrans-109.868.6-173.2-56-34.4000110.6Q206 P208 T209Q206-N233 PolarHBondContact O-ND2 3.24Å; Q206-N233 PolarHBondContact OE1-ND2 3Å; Q206-N233 VanDerWaalsContact OE1-ND2 3.11Å; P208-N233 WeakPolarHBondContact CA-O 3.39Å; T209-N233 PolarHBondContact N-O 2.81Å
234H98.7Very high98.5Very high70 Ų7058.1 Ų58.132%0.32429%0.29SS..EExtended strand (participates in β ladder)trans-119.5146.7-178.472.3-83.9000113.7T209 I211 I229 L231T209-H234 CarbonylContact O-C 3.55Å; T209-H234 VanDerWaalsContact O-CA 3.26Å; T209-H234 WeakPolarHBondContact O-CA 3.41Å; I211-H234 HydrophobicContact CD1-CB 3.9Å; I211-H234 HydrophobicContact CG1-CB 4.44Å; I229-H234 PolarHBondContact O-CE1 3.06Å; L231-H234 HydrophobicContact CB-CB 4.27Å; L231-H234 PolarHBondContact O-CE1 3.42Å; L231-H234 PolarHBondContact O-ND1 2.88Å
235E98.7Very high98.4Very high68 Ų6859.3 Ų59.332%0.31830%0.3SS..EExtended strand (participates in β ladder)trans-116.4152.4162.5-65.9-173.9-142.700108.8T209 L210 I211 K264T209-E235 PolarHBondContact O-N 3.16Å; L210-E235 HydrophobicContact CD1-CB 3.89Å; I211-E235 PolarHBondContact N-O 2.95Å; E235-K264 VanDerWaalsContact OE1-CD 3.32Å; E235-K264 WeakPolarHBondContact OE1-CD 3.35Å; E235-K264 IonicContact OE1-NZ 3.72Å; E235-K264 PolarHBondContact OE1-NZ 3.49Å; E235-K264 IonicContact OE2-NZ 3.95Å; E235-K264 PolarHBondContact OE2-NZ 3Å
236V98.8Very high98.4Very high68 Ų6856.9 Ų56.941%0.41229%0.289SS..EExtended strand (participates in β ladder)trans-117.9124.6179.7-177.30000110I211 F213I211-V236 WeakPolarHBondContact O-CA 3.34Å; F213-V236 HydrophobicContact CD1-CG1 4.46Å; F213-V236 HydrophobicContact CE1-CG1 3.62Å; F213-V236 HydrophobicContact CZ-CG1 4.43Å
237L98.8Very high98.4Very high32 Ų3250 Ų5017%0.16826%0.258CS..EExtended strand (participates in β ladder)trans-112.290.2169.8-179.362.6000109.2L210 I211 V212 F213 L239L210-L237 HydrophobicContact CD1-CB 3.97Å; L210-L237 HydrophobicContact CD2-CD2 4.41Å; L210-L237 HydrophobicContact CG-CB 4.41Å; I211-L237 PolarHBondContact O-N 2.74Å; V212-L237 WeakPolarHBondContact CA-O 3.42Å; V212-L237 HydrophobicContact CG1-CB 4.44Å; V212-L237 HydrophobicContact CG1-CD2 4.21Å; V212-L237 HydrophobicContact CG1-CG 4.36Å; V212-L237 HydrophobicContact CG2-CB 4.26Å; V212-L237 HydrophobicContact CG2-CD2 4.31Å; F213-L237 PolarHBondContact N-O 3.06Å; L237-L239 HydrophobicContact CD1-CD2 3.92Å; L237-L239 HydrophobicContact CD2-CD2 4.27Å; L237-L239 HydrophobicContact CG-CD2 3.89Å; L237-L239 HydrophobicContact CG-CG 4.35Å
238K98.6Very high98.4Very high93 Ų9351.6 Ų51.640%0.40427%0.266SS..EExtended strand (participates in β ladder)trans-85.8118.5170.6-177.5-175.2172.7-134.80108.9F213 A215 E240F213-K238 HydrophobicContact CD2-CG 4.39Å; F213-K238 HydrophobicContact CE1-CB 4.15Å; F213-K238 HydrophobicContact CE1-CG 4.48Å; F213-K238 HydrophobicContact CE2-CB 4.33Å; F213-K238 HydrophobicContact CE2-CD 4.05Å; F213-K238 HydrophobicContact CE2-CG 3.77Å; F213-K238 HydrophobicContact CZ-CB 3.91Å; F213-K238 HydrophobicContact CZ-CD 4.02Å; F213-K238 HydrophobicContact CZ-CG 3.82Å; F213-K238 WeakPolarHBondContact O-CA 3.3Å; A215-K238 VanDerWaalsContact CB-CE 3.44Å; A215-K238 HydrophobicContact CB-CG 4.29Å; K238-E240 WeakPolarHBondContact CD-OE1 3.35Å; K238-E240 VanDerWaalsContact CE-OE1 3.32Å; K238-E240 WeakPolarHBondContact CE-OE1 3.37Å; K238-E240 IonicContact NZ-OE1 3.11Å; K238-E240 PolarHBondContact NZ-OE1 2.96Å; K238-E240 IonicContact NZ-OE2 2.69Å; K238-E240 PolarHBondContact NZ-OE2 3.3Å
239L98.6Very high98.3Very high7 Ų753.9 Ų53.94%0.03728%0.278CS..EExtended strand (participates in β ladder)trans-91.4107.2179.4-62.6179000110V212 F213 A215 L237 A242 C246 K250 E253 F254V212-L239 HydrophobicContact CG1-CD1 4.31Å; F213-L239 PolarHBondContact O-N 3.26Å; A215-L239 WeakPolarHBondContact CB-O 3.38Å; A215-L239 PolarHBondContact N-O 2.93Å; L237-L239 HydrophobicContact CD1-CD2 3.92Å; L237-L239 HydrophobicContact CD2-CD2 4.27Å; L237-L239 HydrophobicContact CG-CD2 3.89Å; L237-L239 HydrophobicContact CG-CG 4.35Å; L239-A242 HydrophobicContact CB-CB 3.76Å; L239-A242 WeakPolarHBondContact O-CB 3.35Å; L239-A242 PolarHBondContact O-N 3.39Å; L239-C246 HydrophobicContact CB-CB 4.29Å; L239-C246 HydrophobicContact CD1-CB 3.9Å; L239-K250 HydrophobicContact CB-CB 4.44Å; L239-K250 HydrophobicContact CD1-CB 4.17Å; L239-E253 HydrophobicContact CD2-CB 3.91Å; L239-F254 HydrophobicContact CD1-CB 3.99Å
240E98.3Very high98.3Very high116 Ų11654.2 Ų54.254%0.54228%0.277SS..THydrogen-bonded Turntrans-65.5137.8-178.4-62.8-59.3161.200112A215 K238 A242 K250A215-E240 WeakPolarHBondContact CB-OE2 3.4Å; K238-E240 WeakPolarHBondContact CD-OE1 3.35Å; K238-E240 VanDerWaalsContact CE-OE1 3.32Å; K238-E240 WeakPolarHBondContact CE-OE1 3.37Å; K238-E240 IonicContact NZ-OE1 3.11Å; K238-E240 PolarHBondContact NZ-OE1 2.96Å; K238-E240 IonicContact NZ-OE2 2.69Å; K238-E240 PolarHBondContact NZ-OE2 3.3Å; E240-A242 PolarHBondContact O-N 3.13Å; E240-K250 WeakPolarHBondContact O-CE 3.35Å
241G98.2Very high98.3Very high50 Ų5053.4 Ų53.452%0.51528%0.277SS..THydrogen-bonded Turntrans70.22.1-175.900000115.4L216L216-G241 WeakPolarHBondContact CD1-O 3.17Å
242A98.4Very high98.3Very high0 Ų058.8 Ų58.80%030%0.302CS..  trans-94.8146.2-179.600000112.3G214 A215 L216 L239 E240 C246 D249 K250G214-A242 CarbonylContact C-O 3.5Å; G214-A242 WeakPolarHBondContact CA-O 3.23Å; A215-A242 PolarHBondContact N-O 3.42Å; L216-A242 WeakPolarHBondContact CB-O 3.13Å; L216-A242 PolarHBondContact N-O 3.25Å; L239-A242 HydrophobicContact CB-CB 3.76Å; L239-A242 WeakPolarHBondContact O-CB 3.35Å; L239-A242 PolarHBondContact O-N 3.39Å; E240-A242 PolarHBondContact O-N 3.13Å; A242-C246 HydrophobicContact CB-CB 3.65Å; A242-D249 HydrophobicContact CB-CB 3.99Å; A242-K250 HydrophobicContact CB-CG 3.86Å
243R98.3Very high98.3Very high157 Ų15759.4 Ų59.459%0.59230%0.299SS*.  trans-91-160.1177.4-56.6169.9-68.1-179.7-2.1110.6L216 A245 C246 D249L216-R243 HydrophobicContact CB-CG 4.34Å; L216-R243 HydrophobicContact CD1-CG 4.32Å; R243-A245 PolarHBondContact O-N 2.96Å; R243-C246 WeakPolarHBondContact O-CA 3.45Å; R243-C246 VanDerWaalsContact O-CB 3.24Å; R243-C246 WeakPolarHBondContact O-CB 3.36Å; R243-C246 PolarHBondContact O-N 2.68Å; R243-D249 VanDerWaalsContact CB-OD2 3.25Å; R243-D249 WeakPolarHBondContact CB-OD2 3.35Å; R243-D249 WeakPolarHBondContact CG-OD2 3.35Å; R243-D249 IonicContact CZ-OD1 3.54Å; R243-D249 IonicContact CZ-OD2 3.9Å; R243-D249 PolarHBondContact N-OD2 3.38Å; R243-D249 IonicContact NE-OD1 2.67Å; R243-D249 PolarHBondContact NE-OD1 3.17Å; R243-D249 IonicContact NE-OD2 3.97Å; R243-D249 PolarHBondContact NE-OD2 2.9Å; R243-D249 VanDerWaalsContact NE-OD2 3.11Å; R243-D249 IonicContact NH2-OD1 2.77Å; R243-D249 PolarHBondContact NH2-OD1 3.47Å; R243-D249 IonicContact NH2-OD2 3.44Å
244H98Very high98.3Very high62 Ų6256 Ų5629%0.28728%0.281SS..SBendtrans-58.4-48.6-175.5-176.854.2000114S166 D217 L220 C246S166-H244 WeakPolarHBondContact CB-NE2 3.33Å; S166-H244 PolarHBondContact OG-NE2 3.38Å; D217-H244 HydrophobicContact CB-CB 4.45Å; D217-H244 IonicContact OD1-ND1 3.92Å; D217-H244 IonicContact OD2-CE1 3.72Å; D217-H244 IonicContact OD2-CG 3.61Å; D217-H244 IonicContact OD2-ND1 2.71Å; D217-H244 PolarHBondContact OD2-ND1 3.26Å; L220-H244 VanDerWaalsContact CD2-CE1 3.47Å; L220-H244 WeakPolarHBondContact CD2-CE1 3.25Å; H244-C246 PolarHBondContact O-N 3.22Å
245A97.1Very high98.3Very high25 Ų2553.7 Ų53.721%0.20727%0.271CS..SBendtrans-80.757.4172.100000110.3F100 R243 Y247 M248 D249F100-A245 HydrophobicContact CE2-CB 3.97Å; F100-A245 HydrophobicContact CZ-CB 4.03Å; R243-A245 PolarHBondContact O-N 2.96Å; A245-Y247 PolarHBondContact O-N 3.27Å; A245-Y247 VanDerWaalsContact O-N 3.13Å; A245-M248 HydrophobicContact CB-CB 4.29Å; A245-M248 HydrophobicContact CB-CG 4.02Å; A245-M248 WeakPolarHBondContact O-CA 3.2Å; A245-M248 VanDerWaalsContact O-CB 3.32Å; A245-M248 WeakPolarHBondContact O-CB 3.23Å; A245-M248 PolarHBondContact O-N 3.24Å; A245-D249 PolarHBondContact O-N 3.21Å
246C98.2Very high98.3Very high0 Ų055.8 Ų55.80%028%0.28CS..Hα-helixtrans-60.8-29.9-166.261.20000114.1I189 L239 A242 R243 H244 M248 D249 K250I189-C246 WeakPolarHBondContact CG2-SG 3.4Å; L239-C246 HydrophobicContact CB-CB 4.29Å; L239-C246 HydrophobicContact CD1-CB 3.9Å; A242-C246 HydrophobicContact CB-CB 3.65Å; R243-C246 WeakPolarHBondContact O-CA 3.45Å; R243-C246 VanDerWaalsContact O-CB 3.24Å; R243-C246 WeakPolarHBondContact O-CB 3.36Å; R243-C246 PolarHBondContact O-N 2.68Å; H244-C246 PolarHBondContact O-N 3.22Å; C246-M248 PolarHBondContact O-N 3.07Å; C246-D249 PolarHBondContact O-N 3.14Å; C246-K250 PolarHBondContact O-N 2.91Å
247Y98Very high98.3Very high5 Ų553.2 Ų53.22%0.0227%0.268CS..Hα-helixtrans-69.7-19.6175.359.8-87.2000113.2F100 W105 L108 P165 I189 A245 P251F100-Y247 WeakPolarHBondContact CD2-OH 3.4Å; F100-Y247 VanDerWaalsContact CE2-OH 3.32Å; F100-Y247 WeakPolarHBondContact CE2-OH 3.32Å; W105-Y247 HydrophobicContact CH2-CD1 4.5Å; W105-Y247 AromaticContact CH2-CD2 3.76Å; W105-Y247 HydrophobicContact CH2-CD2 3.76Å; W105-Y247 HydrophobicContact CH2-CE1 4.4Å; W105-Y247 AromaticContact CH2-CE2 3.64Å; W105-Y247 HydrophobicContact CH2-CE2 3.64Å; W105-Y247 HydrophobicContact CH2-CG 4.19Å; W105-Y247 AromaticContact CH2-CZ 3.97Å; W105-Y247 HydrophobicContact CZ2-CE2 4.4Å; W105-Y247 AromaticContact CZ3-CD2 3.58Å; W105-Y247 HydrophobicContact CZ3-CD2 3.58Å; W105-Y247 AromaticContact CZ3-CE2 3.74Å; W105-Y247 HydrophobicContact CZ3-CE2 3.74Å; W105-Y247 HydrophobicContact CZ3-CG 4.24Å; L108-Y247 HydrophobicContact CD2-CD2 3.66Å; L108-Y247 HydrophobicContact CD2-CE2 4.38Å; P165-Y247 HydrophobicContact CB-CE1 3.79Å; P165-Y247 HydrophobicContact CG-CE1 4.45Å; I189-Y247 HydrophobicContact CD1-CD1 3.8Å; I189-Y247 HydrophobicContact CD1-CE1 4.35Å; I189-Y247 HydrophobicContact CD1-CG 4.31Å; I189-Y247 HydrophobicContact CG2-CD1 4.03Å; I189-Y247 HydrophobicContact CG2-CE1 4.49Å; A245-Y247 PolarHBondContact O-N 3.27Å; A245-Y247 VanDerWaalsContact O-N 3.13Å; Y247-P251 VanDerWaalsContact O-CA 3.22Å; Y247-P251 WeakPolarHBondContact O-CA 3.15Å; Y247-P251 WeakPolarHBondContact O-CB 3.32Å
248M97.9Very high98.3Very high70 Ų7051.8 Ų51.835%0.34526%0.261SS..Hα-helixtrans-84.1-37.5171.5-58.5-62.9-66.300111.4F100 T104 L108 A245 C246F100-M248 HydrophobicContact CE1-CE 4.35Å; F100-M248 HydrophobicContact CE1-CG 4.37Å; F100-M248 HydrophobicContact CZ-CG 3.97Å; T104-M248 HydrophobicContact CG2-CE 3.99Å; T104-M248 HydrophobicContact CG2-SD 3.81Å; L108-M248 HydrophobicContact CD1-CE 4.24Å; L108-M248 HydrophobicContact CD1-SD 3.84Å; L108-M248 HydrophobicContact CD2-SD 3.86Å; L108-M248 HydrophobicContact CG-SD 4.38Å; A245-M248 HydrophobicContact CB-CB 4.29Å; A245-M248 HydrophobicContact CB-CG 4.02Å; A245-M248 WeakPolarHBondContact O-CA 3.2Å; A245-M248 VanDerWaalsContact O-CB 3.32Å; A245-M248 WeakPolarHBondContact O-CB 3.23Å; A245-M248 PolarHBondContact O-N 3.24Å; C246-M248 PolarHBondContact O-N 3.07Å
249D97.9Very high98.3Very high48 Ų4848.3 Ų48.326%0.25725%0.246SC..Hα-helixtrans-72.6-33.5178.9-70.7-20.3000111.9A242 R243 A245 C246A242-D249 HydrophobicContact CB-CB 3.99Å; R243-D249 VanDerWaalsContact CB-OD2 3.25Å; R243-D249 WeakPolarHBondContact CB-OD2 3.35Å; R243-D249 WeakPolarHBondContact CG-OD2 3.35Å; R243-D249 IonicContact CZ-OD1 3.54Å; R243-D249 IonicContact CZ-OD2 3.9Å; R243-D249 PolarHBondContact N-OD2 3.38Å; R243-D249 IonicContact NE-OD1 2.67Å; R243-D249 PolarHBondContact NE-OD1 3.17Å; R243-D249 IonicContact NE-OD2 3.97Å; R243-D249 PolarHBondContact NE-OD2 2.9Å; R243-D249 VanDerWaalsContact NE-OD2 3.11Å; R243-D249 IonicContact NH2-OD1 2.77Å; R243-D249 PolarHBondContact NH2-OD1 3.47Å; R243-D249 IonicContact NH2-OD2 3.44Å; A245-D249 PolarHBondContact O-N 3.21Å; C246-D249 PolarHBondContact O-N 3.14Å
250K98.4Very high98.3Very high67 Ų6754.3 Ų54.329%0.29127%0.272SS..SBendtrans-135.461.5-174.3-65.1-63.9-169.9169.20112L239 E240 A242 C246 H252 E253 F254L239-K250 HydrophobicContact CB-CB 4.44Å; L239-K250 HydrophobicContact CD1-CB 4.17Å; E240-K250 WeakPolarHBondContact O-CE 3.35Å; A242-K250 HydrophobicContact CB-CG 3.86Å; C246-K250 PolarHBondContact O-N 2.91Å; K250-H252 PolarHBondContact O-N 3.23Å; K250-E253 HydrophobicContact CB-CB 4.46Å; K250-E253 IonicContact NZ-OE1 3.99Å; K250-F254 VanDerWaalsContact O-CB 3.25Å; K250-F254 WeakPolarHBondContact O-CB 3.47Å; K250-F254 PolarHBondContact O-N 3.09Å
251P98.1Very high98.3Very high45 Ų4549.1 Ų49.129%0.29225%0.247SC..Hα-helixtrans-63.8-40.2-172.623.2-32.7000113L108 Y247 F254 H255L108-P251 HydrophobicContact CD1-CB 3.83Å; L108-P251 HydrophobicContact CD1-CG 4.48Å; L108-P251 HydrophobicContact CG-CB 4.26Å; Y247-P251 VanDerWaalsContact O-CA 3.22Å; Y247-P251 WeakPolarHBondContact O-CA 3.15Å; Y247-P251 WeakPolarHBondContact O-CB 3.32Å; P251-F254 PolarHBondContact O-N 2.65Å; P251-H255 WeakPolarHBondContact O-CB 3.44Å; P251-H255 PolarHBondContact O-N 3.42Å; P251-H255 PolarHBondContact O-ND1 2.79Å
252H98Very high98.3Very high115 Ų11546.7 Ų46.753%0.53222%0.223SC..Hα-helixtrans-65.6-49.5-178.5177.6-99.7000111.8K250 F254 H255 Q256K250-H252 PolarHBondContact O-N 3.23Å; H252-F254 VanDerWaalsContact C-N 3.3Å; H252-F254 PolarHBondContact O-N 3.47Å; H252-H255 PolarHBondContact O-N 3.15Å; H252-Q256 PolarHBondContact CE1-NE2 2.92Å; H252-Q256 PolarHBondContact NE2-NE2 3.47Å; H252-Q256 WeakPolarHBondContact O-CG 3.31Å; H252-Q256 PolarHBondContact O-N 2.79Å
253E98.7Very high98.1Very high77 Ų7749.6 Ų49.636%0.3624%0.238SC..Hα-helixtrans-63.9-37.4177.3-62.192.4150.600111.6L239 K250 G257L239-E253 HydrophobicContact CD2-CB 3.91Å; K250-E253 HydrophobicContact CB-CB 4.46Å; K250-E253 IonicContact NZ-OE1 3.99Å; E253-G257 PolarHBondContact O-N 2.96Å
254F98.8Very high98Very high0 Ų045.8 Ų45.80%023%0.226CC..Hα-helixtrans-61-50.8173.1170.1-114.3000112W105 T110 L163 I189 V212 L239 K250 P251 H252 Q256 G257 L258W105-F254 HydrophobicContact CZ3-CE1 4.11Å; W105-F254 HydrophobicContact CZ3-CZ 4.49Å; T110-F254 HydrophobicContact CG2-CE1 4.48Å; L163-F254 HydrophobicContact CD1-CZ 4.13Å; I189-F254 HydrophobicContact CD1-CE2 3.58Å; I189-F254 HydrophobicContact CD1-CZ 3.7Å; V212-F254 HydrophobicContact CG1-CD2 4.19Å; V212-F254 HydrophobicContact CG1-CE2 4.43Å; V212-F254 HydrophobicContact CG2-CE2 4.49Å; L239-F254 HydrophobicContact CD1-CB 3.99Å; K250-F254 VanDerWaalsContact O-CB 3.25Å; K250-F254 WeakPolarHBondContact O-CB 3.47Å; K250-F254 PolarHBondContact O-N 3.09Å; P251-F254 PolarHBondContact O-N 2.65Å; H252-F254 VanDerWaalsContact C-N 3.3Å; H252-F254 PolarHBondContact O-N 3.47Å; F254-Q256 PolarHBondContact O-N 3.36Å; F254-G257 PolarHBondContact O-N 3.28Å; F254-L258 HydrophobicContact CE1-CD2 4.35Å; F254-L258 HydrophobicContact CZ-CD2 4.11Å; F254-L258 VanDerWaalsContact O-CB 3.3Å; F254-L258 WeakPolarHBondContact O-CB 3.38Å; F254-L258 PolarHBondContact O-N 2.65Å
255H98.8Very high97.8Very high22 Ų2243.1 Ų43.110%0.10221%0.214CC..Hα-helixtrans-61.1-44.1179.4-68.5161.2000111.9L108 T110 V113 P251 H252 L258 I259L108-H255 PolarHBondContact O-CE1 2.9Å; T110-H255 WeakPolarHBondContact CA-NE2 3.14Å; T110-H255 PolarHBondContact OG1-NE2 3.41Å; V113-H255 HydrophobicContact CG1-CB 4.19Å; P251-H255 WeakPolarHBondContact O-CB 3.44Å; P251-H255 PolarHBondContact O-N 3.42Å; P251-H255 PolarHBondContact O-ND1 2.79Å; H252-H255 PolarHBondContact O-N 3.15Å; H255-L258 PolarHBondContact O-N 2.87Å; H255-I259 WeakPolarHBondContact O-CG1 3.48Å; H255-I259 PolarHBondContact O-N 3.15Å
256Q98.6Very high96.9Very high112 Ų11246.5 Ų46.552%0.52322%0.224SC..Hα-helixtrans-59.9-47.7176.5-73.5-175.9-28.900112.1H252 F254 L258 K260H252-Q256 PolarHBondContact CE1-NE2 2.92Å; H252-Q256 PolarHBondContact NE2-NE2 3.47Å; H252-Q256 WeakPolarHBondContact O-CG 3.31Å; H252-Q256 PolarHBondContact O-N 2.79Å; F254-Q256 PolarHBondContact O-N 3.36Å; Q256-L258 VanDerWaalsContact C-N 3.32Å; Q256-L258 PolarHBondContact O-N 3.38Å; Q256-K260 WeakPolarHBondContact O-CB 3.32Å; Q256-K260 PolarHBondContact O-N 3.11Å
257G98.8Very high95.4Very high15 Ų1553.8 Ų53.816%0.15526%0.258CS..Hα-helixtrans-63.4-38.9177.400000112.5E253 F254 F261E253-G257 PolarHBondContact O-N 2.96Å; F254-G257 PolarHBondContact O-N 3.28Å; G257-F261 PolarHBondContact O-N 3.43Å; G257-F261 VanDerWaalsContact O-N 3.13Å
258L98.8Very high93.5Very high2 Ų259.3 Ų59.31%0.0129%0.288CS..Hα-helixtrans-63.6-52.2176.6179.958.4000111.8M92 L114 L163 V187 F254 H255 Q256 K260 F261 L262M92-L258 HydrophobicContact CE-CD1 4.15Å; L114-L258 HydrophobicContact CD2-CD2 4.1Å; L163-L258 HydrophobicContact CD1-CD2 4.07Å; V187-L258 HydrophobicContact CG1-CD1 4.22Å; V187-L258 HydrophobicContact CG2-CD1 3.99Å; F254-L258 HydrophobicContact CE1-CD2 4.35Å; F254-L258 HydrophobicContact CZ-CD2 4.11Å; F254-L258 VanDerWaalsContact O-CB 3.3Å; F254-L258 WeakPolarHBondContact O-CB 3.38Å; F254-L258 PolarHBondContact O-N 2.65Å; H255-L258 PolarHBondContact O-N 2.87Å; Q256-L258 VanDerWaalsContact C-N 3.32Å; Q256-L258 PolarHBondContact O-N 3.38Å; L258-K260 VanDerWaalsContact C-N 3.32Å; L258-K260 PolarHBondContact O-N 2.94Å; L258-F261 PolarHBondContact O-N 3.36Å; L258-F261 VanDerWaalsContact O-N 3.17Å; L258-L262 HydrophobicContact CD1-CD1 4.18Å; L258-L262 HydrophobicContact CD1-CG 4.24Å; L258-L262 HydrophobicContact CG-CD1 4.04Å; L258-L262 VanDerWaalsContact O-CG 3.3Å; L258-L262 WeakPolarHBondContact O-CG 3.3Å; L258-L262 PolarHBondContact O-N 3.29Å
259I98.5Very high91.1Very high19 Ų1963.8 Ų63.810%0.09731%0.311CS..Hα-helixtrans-60.1-44179.4-65.5-57.2000110.9V113 L114 N117 Y119 H255 F261 L262 D263V113-I259 HydrophobicContact CG1-CD1 4.16Å; V113-I259 HydrophobicContact CG1-CG1 4.05Å; L114-I259 HydrophobicContact CD2-CD1 4.04Å; N117-I259 HydrophobicContact CB-CD1 3.71Å; N117-I259 HydrophobicContact CB-CG2 4.49Å; Y119-I259 HydrophobicContact CD2-CD1 4.04Å; Y119-I259 HydrophobicContact CE2-CD1 3.86Å; H255-I259 WeakPolarHBondContact O-CG1 3.48Å; H255-I259 PolarHBondContact O-N 3.15Å; I259-F261 VanDerWaalsContact C-N 3.27Å; I259-F261 PolarHBondContact O-N 2.87Å; I259-L262 HydrophobicContact CD1-CD1 4.33Å; I259-L262 PolarHBondContact O-N 3.5Å; I259-L262 VanDerWaalsContact O-N 3.14Å; I259-D263 PolarHBondContact O-N 3.29Å
260K98.4Very high90.8Very high134 Ų13464.6 Ų64.658%0.58331%0.314SS*.Hα-helixtrans-57-40.5176.7-177.7-179.6179.4-178.10112.6Q256 L258 K264Q256-K260 WeakPolarHBondContact O-CB 3.32Å; Q256-K260 PolarHBondContact O-N 3.11Å; L258-K260 VanDerWaalsContact C-N 3.32Å; L258-K260 PolarHBondContact O-N 2.94Å; K260-K264 WeakPolarHBondContact O-CG 3.23Å
261F98.5Very high90.4Very high6 Ų664.4 Ų64.43%0.02632%0.315CS..Hα-helixtrans-67.5-46.3176.2171.5-110.3000111.6V161 V187 P208 L210 G257 L258 I259 D263 K264 L265V161-F261 HydrophobicContact CG1-CE1 4.39Å; V187-F261 HydrophobicContact CG2-CD1 4.03Å; V187-F261 HydrophobicContact CG2-CE1 3.8Å; P208-F261 HydrophobicContact CB-CE2 4.2Å; P208-F261 HydrophobicContact CB-CZ 4.18Å; L210-F261 HydrophobicContact CB-CB 4.32Å; L210-F261 HydrophobicContact CB-CD1 3.78Å; L210-F261 HydrophobicContact CB-CD2 3.88Å; L210-F261 HydrophobicContact CB-CE1 3.97Å; L210-F261 HydrophobicContact CB-CE2 4.07Å; L210-F261 HydrophobicContact CB-CG 3.73Å; L210-F261 HydrophobicContact CB-CZ 4.11Å; L210-F261 HydrophobicContact CD1-CB 4.49Å; L210-F261 HydrophobicContact CD2-CB 3.82Å; L210-F261 HydrophobicContact CD2-CD1 4.28Å; L210-F261 HydrophobicContact CD2-CG 4.11Å; L210-F261 HydrophobicContact CG-CB 4.43Å; L210-F261 HydrophobicContact CG-CG 4.36Å; G257-F261 PolarHBondContact O-N 3.43Å; G257-F261 VanDerWaalsContact O-N 3.13Å; L258-F261 PolarHBondContact O-N 3.36Å; L258-F261 VanDerWaalsContact O-N 3.17Å; I259-F261 VanDerWaalsContact C-N 3.27Å; I259-F261 PolarHBondContact O-N 2.87Å; F261-D263 VanDerWaalsContact C-N 3.33Å; F261-D263 PolarHBondContact O-N 2.94Å; F261-K264 WeakPolarHBondContact O-CB 3.26Å; F261-K264 PolarHBondContact O-N 2.98Å; F261-L265 HydrophobicContact CD1-CD1 4.24Å; F261-L265 HydrophobicContact CE1-CD1 3.64Å; F261-L265 HydrophobicContact CE1-CG 4.32Å; F261-L265 HydrophobicContact CE2-CD1 4.48Å; F261-L265 HydrophobicContact CE2-CD2 4.11Å; F261-L265 HydrophobicContact CE2-CG 4.4Å; F261-L265 HydrophobicContact CZ-CD1 3.78Å; F261-L265 HydrophobicContact CZ-CD2 4.05Å; F261-L265 HydrophobicContact CZ-CG 4.18Å; F261-L265 PolarHBondContact O-N 3.38Å
262L97.8Very high90Very high0 Ų065.5 Ų65.50%032%0.316CS..Hα-helixtrans-63.8-36.3-179.8-63.1170.5000113M92 L114 Y119 V161 L258 I259 K264 L265 K266M92-L262 HydrophobicContact CE-CD1 4.42Å; M92-L262 HydrophobicContact CE-CD2 4.09Å; M92-L262 HydrophobicContact CG-CD2 4.46Å; M92-L262 HydrophobicContact SD-CD1 3.39Å; M92-L262 WeakPolarHBondContact SD-CD1 3.49Å; M92-L262 HydrophobicContact SD-CD2 3.79Å; M92-L262 HydrophobicContact SD-CG 4.21Å; L114-L262 HydrophobicContact CD2-CD1 3.54Å; Y119-L262 HydrophobicContact CD2-CD1 3.83Å; Y119-L262 HydrophobicContact CE1-CB 3.85Å; Y119-L262 HydrophobicContact CE2-CB 3.84Å; Y119-L262 HydrophobicContact CE2-CD1 3.82Å; Y119-L262 HydrophobicContact CG-CD1 4.2Å; Y119-L262 VanDerWaalsContact CZ-CB 3.43Å; Y119-L262 VanDerWaalsContact OH-C 3.26Å; Y119-L262 WeakPolarHBondContact OH-CB 3.43Å; V161-L262 HydrophobicContact CB-CD2 4.11Å; V161-L262 HydrophobicContact CG1-CD2 3.89Å; V161-L262 HydrophobicContact CG2-CD2 3.83Å; L258-L262 HydrophobicContact CD1-CD1 4.18Å; L258-L262 HydrophobicContact CD1-CG 4.24Å; L258-L262 HydrophobicContact CG-CD1 4.04Å; L258-L262 VanDerWaalsContact O-CG 3.3Å; L258-L262 WeakPolarHBondContact O-CG 3.3Å; L258-L262 PolarHBondContact O-N 3.29Å; I259-L262 HydrophobicContact CD1-CD1 4.33Å; I259-L262 PolarHBondContact O-N 3.5Å; I259-L262 VanDerWaalsContact O-N 3.14Å; L262-K264 VanDerWaalsContact C-N 3.27Å; L262-K264 PolarHBondContact O-N 3.33Å; L262-L265 HydrophobicContact CD2-CD1 4.49Å; L262-L265 PolarHBondContact O-N 3.1Å; L262-K266 PolarHBondContact O-N 3.49Å
263D95.7Very high89.5Confident61 Ų6162.6 Ų62.633%0.32630%0.304SS..Hα-helixtrans-63.3-34177.1-84.9-34.1000112.1Y119 I259 F261Y119-D263 WeakPolarHBondContact OH-CA 2.85Å; Y119-D263 PolarHBondContact OH-N 2.91Å; Y119-D263 VanDerWaalsContact OH-N 3.16Å; Y119-D263 PolarHBondContact OH-OD1 3.48Å; I259-D263 PolarHBondContact O-N 3.29Å; F261-D263 VanDerWaalsContact C-N 3.33Å; F261-D263 PolarHBondContact O-N 2.94Å
264K95.9Very high88.9Confident76 Ų7661.7 Ų61.733%0.3330%0.3SS..Hα-helixtrans-67.9-44.3174.3-67.3170.6173.8-1760111.8E235 K260 F261 L262 K266 Q267E235-K264 VanDerWaalsContact OE1-CD 3.32Å; E235-K264 WeakPolarHBondContact OE1-CD 3.35Å; E235-K264 IonicContact OE1-NZ 3.72Å; E235-K264 PolarHBondContact OE1-NZ 3.49Å; E235-K264 IonicContact OE2-NZ 3.95Å; E235-K264 PolarHBondContact OE2-NZ 3Å; K260-K264 WeakPolarHBondContact O-CG 3.23Å; F261-K264 WeakPolarHBondContact O-CB 3.26Å; F261-K264 PolarHBondContact O-N 2.98Å; L262-K264 VanDerWaalsContact C-N 3.27Å; L262-K264 PolarHBondContact O-N 3.33Å; K264-K266 PolarHBondContact O-N 3.32Å; K264-K266 VanDerWaalsContact O-N 3.11Å; K264-Q267 PolarHBondContact O-N 3.18Å
265L93.5Very high88.3Confident6 Ų665.8 Ų65.83%0.03132%0.32CS..Hα-helixtrans-61.5-23.6-179.9-60.5-175.4000114L90 V161 R184 P208 F261 L262L90-L265 HydrophobicContact CD1-CB 3.96Å; V161-L265 HydrophobicContact CG2-CD1 3.77Å; R184-L265 PolarHBondContact NH2-O 3.41Å; P208-L265 HydrophobicContact CB-CD2 3.37Å; P208-L265 HydrophobicContact CG-CD2 3.72Å; F261-L265 HydrophobicContact CD1-CD1 4.24Å; F261-L265 HydrophobicContact CE1-CD1 3.64Å; F261-L265 HydrophobicContact CE1-CG 4.32Å; F261-L265 HydrophobicContact CE2-CD1 4.48Å; F261-L265 HydrophobicContact CE2-CD2 4.11Å; F261-L265 HydrophobicContact CE2-CG 4.4Å; F261-L265 HydrophobicContact CZ-CD1 3.78Å; F261-L265 HydrophobicContact CZ-CD2 4.05Å; F261-L265 HydrophobicContact CZ-CG 4.18Å; F261-L265 PolarHBondContact O-N 3.38Å; L262-L265 HydrophobicContact CD2-CD1 4.49Å; L262-L265 PolarHBondContact O-N 3.1Å
266K77.6Confident87.5Confident96 Ų9668.9 Ų68.942%0.41734%0.336SS..Hα-helixtrans-73.5-36174.9-174.3-161.6169.4-166.60111.9K89 L262 K264 D268 I269K89-K266 HydrophobicContact CD-CD 4.24Å; L262-K266 PolarHBondContact O-N 3.49Å; K264-K266 PolarHBondContact O-N 3.32Å; K264-K266 VanDerWaalsContact O-N 3.11Å; K266-D268 PolarHBondContact O-N 3.3Å; K266-I269 PolarHBondContact O-N 3.48Å
267Q67Low86.7Confident154 Ų15465.6 Ų65.672%0.7232%0.321SS*.Hα-helixtrans-70.9-16.6-174.5-65.9175.610.200112.7K264 I269K264-Q267 PolarHBondContact O-N 3.18Å; Q267-I269 PolarHBondContact O-N 3.5Å
268D57Low85.7Confident120 Ų12069.8 Ų69.864%0.64234%0.335SS*.THydrogen-bonded Turntrans-87.324.9175.7-57.9-32.8000113.1K266K266-D268 PolarHBondContact O-N 3.3Å
269I49.4Very low84.5Confident164 Ų16476 Ų7684%0.84137%0.365SS*.  trans-127.70175.9-53.6178000108.2L90 K266 Q267L90-I269 HydrophobicContact CD2-CD1 4.47Å; K266-I269 PolarHBondContact O-N 3.48Å; Q267-I269 PolarHBondContact O-N 3.5Å

Retrieved 269 of 269 residues in 1713.6 ms (Link to these results)

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