A0A060XTK1_ONCMY Loading...

Myeloid leukemia factor 2

AlphaFold DB , UniProt , Accession A0A060XTK1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 248 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
1M31.9Very low35.7Very low218 Ų218151.6 Ų151.6100%1.07473%0.734SS**  0116.70-98.1-175.9170.200108.8
2F33.1Very low36.6Very low147 Ų147148.1 Ų148.165%0.64573%0.732SS**  trans64.588.1152.9-47.1-58.5000120.4Y4F2-Y4 HydrophobicContact CB-CD2 3.89Å; F2-Y4 HydrophobicContact CB-CE2 4.12Å; F2-Y4 HydrophobicContact CD1-CD2 4.05Å; F2-Y4 AromaticContact CD1-CE2 3.37Å; F2-Y4 HydrophobicContact CD1-CE2 3.37Å; F2-Y4 HydrophobicContact CE1-CE2 4.13Å; F2-Y4 HydrophobicContact CG-CD2 4.29Å; F2-Y4 HydrophobicContact CG-CE2 4.02Å
3R32Very low37Very low251 Ų251144.5 Ų144.595%0.94771%0.706SS**  trans-83108.2146.4-78.2177.7173.4154.5-2.7107.9
4Y33.5Very low37.7Very low192 Ų192139.9 Ų139.975%0.75368%0.684SS**  trans-131.856.6168.6-76.6-65.8000110.5F2F2-Y4 HydrophobicContact CB-CD2 3.89Å; F2-Y4 HydrophobicContact CB-CE2 4.12Å; F2-Y4 HydrophobicContact CD1-CD2 4.05Å; F2-Y4 AromaticContact CD1-CE2 3.37Å; F2-Y4 HydrophobicContact CD1-CE2 3.37Å; F2-Y4 HydrophobicContact CE1-CE2 4.13Å; F2-Y4 HydrophobicContact CG-CD2 4.29Å; F2-Y4 HydrophobicContact CG-CE2 4.02Å
5L40.8Very low38.5Very low164 Ų164137.1 Ų137.186%0.85967%0.671SS**SBendtrans-137.121.9177.8-109.9109.9000114.1
6N33Very low39.3Very low133 Ų133130.8 Ų130.871%0.71164%0.641SS**SBendtrans-145.67.9-178.1-112.9-28.3000116.3
7D31.2Very low40Very low160 Ų160123.8 Ų123.886%0.85661%0.607SS**SBendtrans-1000.8-176.1-125.8-100.4000113.6
8V39.8Very low40.7Very low108 Ų108118 Ų11866%0.65558%0.578SS**SBendtrans-103-14.2179.1-175.70000112
9D40.2Very low41.5Very low81 Ų81113.4 Ų113.443%0.43356%0.562SS.*THydrogen-bonded Turntrans-85-10-179.3-71.9-79.4000113.9
10D37.4Very low42.1Very low146 Ų146109 Ų10978%0.78154%0.543SS*.THydrogen-bonded Turntrans-105.922.1-172.2-132.9-68.7000113.9P12D10-P12 WeakPolarHBondContact O-CD 3.22Å
11N39.7Very low42.8Very low68 Ų68104.3 Ų104.336%0.36452%0.52SS..  trans-94.8114167.7-147.1-13000108Y13 M14 M15N11-Y13 PolarHBondContact O-N 3.39Å; N11-M14 HydrophobicContact CB-CB 3.89Å; N11-M14 HydrophobicContact CB-CG 4.08Å; N11-M14 CarbonylContact O-C 3.59Å; N11-M14 PolarHBondContact O-N 3.37Å; N11-M15 PolarHBondContact O-N 2.95Å; N11-M15 VanDerWaalsContact O-N 3.11Å
12P46.4Very low43.9Very low109 Ų109101.1 Ų101.171%0.70850%0.496SS*.THydrogen-bonded Turntrans-58.3-18.8-179.622.1-32.7000112.7D10D10-P12 WeakPolarHBondContact O-CD 3.22Å
13Y41.7Very low45Very low102 Ų102101 Ų10140%0.450%0.497SS..THydrogen-bonded Turntrans-90.7-18.2174.2-66.7-84.7000115.1N11N11-Y13 PolarHBondContact O-N 3.39Å
14M47.2Very low46Very low79 Ų7994 Ų9439%0.38948%0.475SS..  trans-115.120.4179.1-57.2-175.3161.100112.8N11 D16N11-M14 HydrophobicContact CB-CB 3.89Å; N11-M14 HydrophobicContact CB-CG 4.08Å; N11-M14 CarbonylContact O-C 3.59Å; N11-M14 PolarHBondContact O-N 3.37Å; M14-D16 PolarHBondContact O-N 3.24Å
15M49.7Very low46.8Very low99 Ų9987.5 Ų87.549%0.48845%0.453SS..  trans-47.2116.6169.8-133.2-6213800107.8N11 P17 R130N11-M15 PolarHBondContact O-N 2.95Å; N11-M15 VanDerWaalsContact O-N 3.11Å; M15-P17 WeakPolarHBondContact O-CD 3.48Å; M15-R130 PolarHBondContact O-NH2 2.94Å
16D52Low47.3Very low36 Ų3689.4 Ų89.419%0.19345%0.448CS..  trans-55.5107.5-171.5177.717.3000108.8M14 F18 A19 R22M14-D16 PolarHBondContact O-N 3.24Å; D16-F18 PolarHBondContact O-N 3.21Å; D16-F18 VanDerWaalsContact O-N 3.09Å; D16-F18 WeakPolarHBondContact OD1-CA 3.39Å; D16-F18 WeakPolarHBondContact OD1-CB 3.41Å; D16-F18 WeakPolarHBondContact OD1-CD2 3.09Å; D16-F18 WeakPolarHBondContact OD1-CG 3.42Å; D16-F18 PolarHBondContact OD1-N 3.43Å; D16-A19 HydrophobicContact CB-CB 3.88Å; D16-A19 VanDerWaalsContact O-CB 3.32Å; D16-A19 WeakPolarHBondContact O-CB 3.32Å; D16-A19 PolarHBondContact O-N 3.3Å; D16-A19 PolarHBondContact OD2-N 3.26Å; D16-R22 IonicContact OD2-CZ 3.64Å; D16-R22 IonicContact OD2-NH2 2.63Å; D16-R22 PolarHBondContact OD2-NH2 3.33Å
17P50.2Low48.1Very low11 Ų1186.8 Ų86.87%0.07144%0.441CS..Hα-helixtrans-59.1-26.7178.421.6-26.1000109.7M15 A19 Q21 S132M15-P17 WeakPolarHBondContact O-CD 3.48Å; P17-A19 VanDerWaalsContact C-N 3.3Å; P17-A19 PolarHBondContact O-N 3.09Å; P17-Q21 VanDerWaalsContact O-CB 3.3Å; P17-Q21 WeakPolarHBondContact O-CB 3.35Å; P17-Q21 PolarHBondContact O-N 2.91Å; P17-Q21 VanDerWaalsContact O-N 3.12Å; P17-S132 VanDerWaalsContact CG-OG 3.29Å; P17-S132 WeakPolarHBondContact CG-OG 3.24Å
18F52.8Low48.7Very low20 Ų2084.1 Ų84.19%0.08843%0.426CS..Hα-helixtrans-76.6-10.8175.2-45.6-63.5000113.1D16 R22 Q114 T116 S132 R134D16-F18 PolarHBondContact O-N 3.21Å; D16-F18 VanDerWaalsContact O-N 3.09Å; D16-F18 WeakPolarHBondContact OD1-CA 3.39Å; D16-F18 WeakPolarHBondContact OD1-CB 3.41Å; D16-F18 WeakPolarHBondContact OD1-CD2 3.09Å; D16-F18 WeakPolarHBondContact OD1-CG 3.42Å; D16-F18 PolarHBondContact OD1-N 3.43Å; F18-R22 WeakPolarHBondContact O-CA 3.43Å; F18-R22 WeakPolarHBondContact O-CB 3.11Å; F18-R22 WeakPolarHBondContact O-CG 3.39Å; F18-R22 PolarHBondContact O-N 3.11Å; F18-R22 PolarHBondContact O-NE 3.25Å; F18-Q114 HydrophobicContact CD1-CG 4.05Å; F18-Q114 HydrophobicContact CE1-CG 3.52Å; F18-Q114 HydrophobicContact CZ-CG 4.23Å; F18-T116 WeakPolarHBondContact CE1-OG1 3.48Å; F18-S132 WeakPolarHBondContact CE1-OG 3.43Å; F18-S132 VanDerWaalsContact CZ-OG 3.28Å; F18-S132 WeakPolarHBondContact CZ-OG 3.44Å; F18-R134 HydrophobicContact CE2-CB 4.34Å; F18-R134 HydrophobicContact CZ-CB 4.28Å
19A56.4Low48.9Very low31 Ų3185.6 Ų85.626%0.25642%0.424SS..Hα-helixtrans-76.1-51.5171.900000110.8D16 P17 Q21 R22 Q23D16-A19 HydrophobicContact CB-CB 3.88Å; D16-A19 VanDerWaalsContact O-CB 3.32Å; D16-A19 WeakPolarHBondContact O-CB 3.32Å; D16-A19 PolarHBondContact O-N 3.3Å; D16-A19 PolarHBondContact OD2-N 3.26Å; P17-A19 VanDerWaalsContact C-N 3.3Å; P17-A19 PolarHBondContact O-N 3.09Å; A19-Q21 VanDerWaalsContact C-N 3.32Å; A19-Q21 PolarHBondContact O-N 2.79Å; A19-R22 PolarHBondContact O-N 3.33Å; A19-Q23 VanDerWaalsContact O-CG 3.31Å; A19-Q23 WeakPolarHBondContact O-CG 3.3Å; A19-Q23 PolarHBondContact O-N 2.9Å
20A53.5Low48.7Very low24 Ų2484.2 Ų84.220%0.19843%0.428CS..Hα-helixtrans-62.3-42175.600000111Q23 Q24 N199A20-Q23 WeakPolarHBondContact O-CB 3.28Å; A20-Q23 PolarHBondContact O-N 3.32Å; A20-Q24 PolarHBondContact O-N 2.75Å; A20-N199 HydrophobicContact CB-CB 4.49Å
21Q56.5Low48.6Very low11 Ų1182.1 Ų82.15%0.05143%0.425CS..Hα-helixtrans-72.3-36175.9-162.7-146.5-38.700112.7P17 A19 Q23 Q24 M25 T98 T116P17-Q21 VanDerWaalsContact O-CB 3.3Å; P17-Q21 WeakPolarHBondContact O-CB 3.35Å; P17-Q21 PolarHBondContact O-N 2.91Å; P17-Q21 VanDerWaalsContact O-N 3.12Å; A19-Q21 VanDerWaalsContact C-N 3.32Å; A19-Q21 PolarHBondContact O-N 2.79Å; Q21-Q23 PolarHBondContact O-N 3.49Å; Q21-Q24 PolarHBondContact O-N 3.23Å; Q21-M25 HydrophobicContact CG-CG 4.44Å; Q21-M25 VanDerWaalsContact O-CB 3.28Å; Q21-M25 WeakPolarHBondContact O-CB 3.44Å; Q21-M25 WeakPolarHBondContact O-CG 3.39Å; Q21-M25 PolarHBondContact O-N 2.88Å; Q21-T98 PolarHBondContact NE2-OG1 2.86Å; Q21-T98 VanDerWaalsContact NE2-OG1 3.15Å; Q21-T98 PolarHBondContact OE1-OG1 2.92Å; Q21-T116 PolarHBondContact OE1-OG1 2.9Å
22R55.1Low48.6Very low152 Ų15285.8 Ų85.857%0.57444%0.438SS*.Hα-helixtrans-62.3-34.8170.6-87.4179.9-87.4-173-7.6111D16 F18 A19 R26D16-R22 IonicContact OD2-CZ 3.64Å; D16-R22 IonicContact OD2-NH2 2.63Å; D16-R22 PolarHBondContact OD2-NH2 3.33Å; F18-R22 WeakPolarHBondContact O-CA 3.43Å; F18-R22 WeakPolarHBondContact O-CB 3.11Å; F18-R22 WeakPolarHBondContact O-CG 3.39Å; F18-R22 PolarHBondContact O-N 3.11Å; F18-R22 PolarHBondContact O-NE 3.25Å; A19-R22 PolarHBondContact O-N 3.33Å; R22-R26 WeakPolarHBondContact O-CA 3.45Å; R22-R26 WeakPolarHBondContact O-CB 3.48Å; R22-R26 PolarHBondContact O-N 2.93Å
23Q56Low48.2Very low143 Ų14384.2 Ų84.267%0.66844%0.442SS*.Hα-helixtrans-66.9-43.8174-73.6173.5-23.400111.6A19 A20 Q21 R26 S27A19-Q23 VanDerWaalsContact O-CG 3.31Å; A19-Q23 WeakPolarHBondContact O-CG 3.3Å; A19-Q23 PolarHBondContact O-N 2.9Å; A20-Q23 WeakPolarHBondContact O-CB 3.28Å; A20-Q23 PolarHBondContact O-N 3.32Å; Q21-Q23 PolarHBondContact O-N 3.49Å; Q23-R26 CarbonylContact O-C 3.53Å; Q23-R26 PolarHBondContact O-N 3.29Å; Q23-S27 PolarHBondContact O-N 2.88Å
24Q52.6Low48.1Very low105 Ų10589.4 Ų89.449%0.49146%0.462SS..Hα-helixtrans-68.5-41.8177-167.6179.5-6500112.6A20 Q21 R26 S27 L28A20-Q24 PolarHBondContact O-N 2.75Å; Q21-Q24 PolarHBondContact O-N 3.23Å; Q24-R26 VanDerWaalsContact C-N 3.32Å; Q24-S27 PolarHBondContact O-N 2.83Å; Q24-S27 PolarHBondContact O-OG 2.82Å; Q24-L28 WeakPolarHBondContact O-CG 3.07Å; Q24-L28 PolarHBondContact O-N 2.92Å
25M50.2Low47.6Very low56 Ų5693.2 Ų93.228%0.27648%0.479SS..Hα-helixtrans-63.8-40.2171-76.7-76.6-162.500110Q21 S27 L28 F29 I100Q21-M25 HydrophobicContact CG-CG 4.44Å; Q21-M25 VanDerWaalsContact O-CB 3.28Å; Q21-M25 WeakPolarHBondContact O-CB 3.44Å; Q21-M25 WeakPolarHBondContact O-CG 3.39Å; Q21-M25 PolarHBondContact O-N 2.88Å; M25-S27 VanDerWaalsContact C-N 3.28Å; M25-S27 PolarHBondContact O-N 3.37Å; M25-L28 PolarHBondContact O-N 2.95Å; M25-F29 HydrophobicContact CB-CD2 4.35Å; M25-F29 WeakPolarHBondContact O-CA 3.46Å; M25-F29 VanDerWaalsContact O-CB 3.25Å; M25-F29 WeakPolarHBondContact O-CB 3.37Å; M25-F29 WeakPolarHBondContact O-CD2 3.42Å; M25-F29 PolarHBondContact O-N 3.32Å; M25-F29 HydrophobicContact SD-CD2 3.79Å; M25-F29 HydrophobicContact SD-CE2 3.42Å; M25-F29 WeakPolarHBondContact SD-CE2 3.34Å; M25-I100 HydrophobicContact CE-CD1 4.29Å
26R51.3Low47.2Very low203 Ų20393.9 Ų93.977%0.76649%0.491SS*.Hα-helixtrans-67.2-26.3175.2-173.2172.5-178.1164.91.1112.4R22 Q23 Q24 G30R22-R26 WeakPolarHBondContact O-CA 3.45Å; R22-R26 WeakPolarHBondContact O-CB 3.48Å; R22-R26 PolarHBondContact O-N 2.93Å; Q23-R26 CarbonylContact O-C 3.53Å; Q23-R26 PolarHBondContact O-N 3.29Å; Q24-R26 VanDerWaalsContact C-N 3.32Å; R26-G30 WeakPolarHBondContact O-CA 3.48Å; R26-G30 PolarHBondContact O-N 2.99Å
27S49.9Very low47Very low79 Ų79100.9 Ų100.955%0.55252%0.52SS*.Hα-helixtrans-76.5-34.8170.467.20000112.4Q23 Q24 M25Q23-S27 PolarHBondContact O-N 2.88Å; Q24-S27 PolarHBondContact O-N 2.83Å; Q24-S27 PolarHBondContact O-OG 2.82Å; M25-S27 VanDerWaalsContact C-N 3.28Å; M25-S27 PolarHBondContact O-N 3.37Å
28L44.9Very low46.4Very low104 Ų104105.7 Ų105.755%0.54555%0.551SS.*Hα-helixtrans-78.6-38.3178.5-66.6172.1000113.1Q24 M25Q24-L28 WeakPolarHBondContact O-CG 3.07Å; Q24-L28 PolarHBondContact O-N 2.92Å; M25-L28 PolarHBondContact O-N 2.95Å
29F42.4Very low46Very low139 Ų139112.8 Ų112.861%0.6159%0.589SS**Hα-helixtrans-94.7-16.7178.3-73.8-91.3000113M25 S31 F32M25-F29 HydrophobicContact CB-CD2 4.35Å; M25-F29 WeakPolarHBondContact O-CA 3.46Å; M25-F29 VanDerWaalsContact O-CB 3.25Å; M25-F29 WeakPolarHBondContact O-CB 3.37Å; M25-F29 WeakPolarHBondContact O-CD2 3.42Å; M25-F29 PolarHBondContact O-N 3.32Å; M25-F29 HydrophobicContact SD-CD2 3.79Å; M25-F29 HydrophobicContact SD-CE2 3.42Å; M25-F29 WeakPolarHBondContact SD-CE2 3.34Å; F29-S31 VanDerWaalsContact C-N 3.32Å; F29-F32 PolarHBondContact O-N 2.82Å
30G36Very low45.1Very low51 Ų51116.8 Ų116.853%0.52662%0.615SS.*Hα-helixtrans-76.5-19.2173.900000113.5R26 F32R26-G30 WeakPolarHBondContact O-CA 3.48Å; R26-G30 PolarHBondContact O-N 2.99Å; G30-F32 PolarHBondContact O-N 3.05Å
31S35.2Very low44.9Very low103 Ų103121.8 Ų121.872%0.7265%0.646SS**THydrogen-bonded Turntrans-76-10.6170.8-1660000113F29F29-S31 VanDerWaalsContact C-N 3.32Å
32F40.4Very low43.8Very low144 Ų144130.5 Ų130.563%0.63269%0.686SS**SBendtrans-106.691.8166.6-67.1-84.6000106.6F29 G30 Y34F29-F32 PolarHBondContact O-N 2.82Å; G30-F32 PolarHBondContact O-N 3.05Å; F32-Y34 PolarHBondContact O-N 3.3Å
33G37.8Very low43.2Very low76 Ų76130.5 Ų130.578%0.78470%0.696SS**  trans-60.671.3-178.900000113.9
34Y39.8Very low42.2Very low211 Ų211132.2 Ų132.283%0.82770%0.704SS**  trans-111.688.1170.3-84.9-84.6000107.7F32 P36F32-Y34 PolarHBondContact O-N 3.3Å; Y34-P36 WeakPolarHBondContact O-CD 2.96Å
35E37Very low42.5Very low159 Ų159132.7 Ų132.774%0.74372%0.717SS**  trans-57.2121153.9-60.4-168.9148.500107.7F37E35-F37 PolarHBondContact O-N 3.47Å
36P41.2Very low42.2Very low114 Ų114135.3 Ų135.374%0.7474%0.738SS**SBendtrans-83.731.6-179.235.9-34.9000111.8Y34Y34-P36 WeakPolarHBondContact O-CD 2.96Å
37F47.5Very low41.4Very low182 Ų182137 Ų13780%0.79874%0.744SS**  trans-147.4101.2164.9-71.3-75.6000108.5E35E35-F37 PolarHBondContact O-N 3.47Å
38P38.2Very low41.1Very low113 Ų113137.8 Ų137.873%0.73476%0.755SS**  -135.1151.6110.530.4-15.7000113.6
39L43.9Very low40.9Very low168 Ų168138.3 Ų138.388%0.8877%0.765SS**  trans-48.9135.8176.4-65.699.1000113.9
40S38.1Very low41Very low115 Ų115139.1 Ų139.180%0.80477%0.77SS**  166150119.4470000112.4
41P49.9Very low41.1Very low129 Ų129144.6 Ų144.684%0.83879%0.787SS**  trans-94.5128.1-170.634.9-27.8000111.1
42Q33.2Very low41.5Very low194 Ų194147.7 Ų147.791%0.90779%0.79SS**  trans-143.4117164-158.6167.1-4.700112.5
43I42.6Very low41.3Very low152 Ų152145.2 Ų145.278%0.77980%0.796SS**  trans-60.1133.4176.4-64.5151000110.7
44Q34.2Very low41.3Very low180 Ų180145.2 Ų145.284%0.84180%0.795SS**  168.6137.5126.8-90.4179.324.100112
45P58.6Low41.1Very low115 Ų115139 Ų13975%0.74779%0.788SS**  trans-95.4154.9174.937-30.5000111.8
46P44.3Very low41.5Very low111 Ų111139.5 Ų139.572%0.72180%0.795SS**  -151.2146.1124.931-10.8000117.5
47R34.5Very low41.3Very low238 Ų238140.8 Ų140.890%0.89879%0.791SS**  trans61.4113.8139.6-68.1-173.4170.4114.1-0.2121.2
48A42.9Very low41Very low95 Ų95137.8 Ų137.879%0.78579%0.79SS**  trans-67.1155154.800000112.7
49P40.8Very low41.3Very low116 Ų116139.1 Ų139.175%0.75378%0.784SS**  trans-113.7131.8142.431.7-19.6000110.8L51P49-L51 PolarHBondContact O-N 2.9Å
50H44.5Very low41Very low156 Ų156134.2 Ų134.272%0.72277%0.774SS**  trans-67.7119.6168.2-176115.9000109.2
51L38.8Very low41Very low166 Ų166137.5 Ų137.587%0.86978%0.779SS**  trans-123112.3161.3-91.5162.7000108.1P49P49-L51 PolarHBondContact O-N 2.9Å
52Q44.1Very low40.7Very low168 Ų168136.1 Ų136.179%0.78576%0.763SS**  trans-87.9105174.9-159.4-1789000107.3
53A34.3Very low41Very low92 Ų92129.9 Ų129.976%0.7675%0.75SS**  trans-162.1120165.300000109A55A53-A55 PolarHBondContact O-N 2.81Å
54G38.9Very low41Very low75 Ų75132 Ų13277%0.77376%0.76SS**  trans19.894.516900000117.3L56G54-L56 PolarHBondContact O-N 2.85Å
55A35.2Very low41.2Very low81 Ų81128 Ų12867%0.66977%0.766SS**  trans-67.383.616600000109.8A53 Q57A53-A55 PolarHBondContact O-N 2.81Å; A55-Q57 HydrophobicContact CB-CG 4.15Å; A55-Q57 PolarHBondContact O-N 2.84Å
56L45.9Very low40.4Very low170 Ų170124.1 Ų124.189%0.8975%0.747SS**  trans-63.583.6147.2-89.4142.2000105.9G54 P58G54-L56 PolarHBondContact O-N 2.85Å; L56-P58 WeakPolarHBondContact O-CD 3.37Å
57Q35.8Very low40.7Very low140 Ų140119.5 Ų119.565%0.65472%0.72SS**  trans-63.6108.5166.6-69.4-73.4-25.100106.7A55 F59A55-Q57 HydrophobicContact CB-CG 4.15Å; A55-Q57 PolarHBondContact O-N 2.84Å; Q57-F59 PolarHBondContact O-N 3.07Å
58P42.7Very low41.4Very low120 Ų120110.4 Ų110.478%0.77969%0.687SS**THydrogen-bonded Turntrans-77.11176.127.1-19.3000111.8L56L56-P58 WeakPolarHBondContact O-CD 3.37Å
59F44.7Very low41.8Very low141 Ų141113.1 Ų113.162%0.61869%0.685SS**THydrogen-bonded Turntrans-118.46.5-170.5-97.8-94.5000114.5Q57 V99Q57-F59 PolarHBondContact O-N 3.07Å; F59-V99 HydrophobicContact CZ-CG1 4.24Å
60G35.9Very low42.7Very low65 Ų65113.2 Ų113.267%0.6768%0.679SS**SBendtrans-93.51.3-174.800000116.6
61M39.3Very low43.4Very low184 Ų184107.7 Ų107.791%0.90665%0.654SS**  trans-124.922.1-171.6-100.7-111.914300113.9G63M61-G63 VanDerWaalsContact C-N 3.28Å; M61-G63 PolarHBondContact O-N 3.39Å
62M43.9Very low44.6Very low99 Ų99101.9 Ų101.949%0.48862%0.622SS.*  trans-96.745174-156.292.7174.700111
63G39.5Very low45.5Very low63 Ų6396.3 Ų96.365%0.64961%0.609SS**SBendtrans-116.3125.417400000109.3M61M61-G63 VanDerWaalsContact C-N 3.28Å; M61-G63 PolarHBondContact O-N 3.39Å
64M41.3Very low47.1Very low198 Ų19898.4 Ų98.498%0.97561%0.605SS**SBendtrans64.490.6169.9-85.1-111.614700116.5G66M64-G66 PolarHBondContact O-N 3.42Å
65G38.7Very low48.4Very low95 Ų9595.4 Ų95.498%0.97957%0.571SS**SBendtrans89.3-10.1147.600000119.2
66G42.4Very low49.9Very low33 Ų3392.5 Ų92.534%0.3455%0.549SS..  trans-113.4-23.6-174.700000117.5M64 F68 M69 D70M64-G66 PolarHBondContact O-N 3.42Å; G66-F68 VanDerWaalsContact C-N 3.33Å; G66-F68 PolarHBondContact O-N 3.38Å; G66-F68 VanDerWaalsContact O-N 3.11Å; G66-M69 PolarHBondContact O-N 3.1Å; G66-D70 PolarHBondContact O-N 3.07Å
67G51.5Low51.1Low15 Ų1586.3 Ų86.316%0.15553%0.527CS..Hα-helixtrans-67.3-19.6-162.400000117.7
68F49Very low52.8Low46 Ų4685.7 Ų85.720%0.20253%0.525CS..Hα-helixtrans-76.3-44.3176.6-71.8-86.7000111.3G66 F72 Q131 M133 R142G66-F68 VanDerWaalsContact C-N 3.33Å; G66-F68 PolarHBondContact O-N 3.38Å; G66-F68 VanDerWaalsContact O-N 3.11Å; F68-F72 WeakPolarHBondContact O-CD2 3.16Å; F68-F72 PolarHBondContact O-N 3.4Å; F68-Q131 PolarHBondContact O-NE2 2.88Å; F68-M133 HydrophobicContact CZ-SD 4.3Å; F68-R142 HydrophobicContact CE1-CG 4.41Å; F68-R142 VanDerWaalsContact CE2-NH1 3.29Å; F68-R142 VanDerWaalsContact CZ-CD 3.46Å; F68-R142 HydrophobicContact CZ-CG 4.35Å
69M49.8Very low54Low153 Ų15380.3 Ų80.375%0.75449%0.49SS*.Hα-helixtrans-71-34.3-178.2-126.2162.7-170.800112G66 M71 F72 G73G66-M69 PolarHBondContact O-N 3.1Å; M69-M71 PolarHBondContact O-N 2.74Å; M69-F72 PolarHBondContact O-N 2.76Å; M69-G73 PolarHBondContact O-N 3.2Å
70D60.3Low55.4Low117 Ų11778.5 Ų78.563%0.62648%0.483SS*.Hα-helixtrans-62.2-41.9178.2-81.2-53.7000112.6G66 G73 M74G66-D70 PolarHBondContact O-N 3.07Å; D70-G73 PolarHBondContact O-N 2.9Å; D70-M74 WeakPolarHBondContact O-CB 3.3Å; D70-M74 PolarHBondContact O-N 3.26Å
71M60.3Low57.1Low40 Ų4079.6 Ų79.620%0.19747%0.474CS..Hα-helixtrans-74.4-32.6178.4-164.3173.5-75.600111.8M69 M75 Q115M69-M71 PolarHBondContact O-N 2.74Å; M71-M75 WeakPolarHBondContact O-CB 3.42Å; M71-M75 PolarHBondContact O-N 2.93Å; M71-Q115 PolarHBondContact SD-NE2 2.82Å
72F62.3Low58.5Low45 Ų4576.4 Ų76.420%0.19746%0.458CS..Hα-helixtrans-62.6-45.1170.3-78.5-52.6000112.3F68 M69 G76 T129 Q131F68-F72 WeakPolarHBondContact O-CD2 3.16Å; F68-F72 PolarHBondContact O-N 3.4Å; M69-F72 PolarHBondContact O-N 2.76Å; F72-G76 PolarHBondContact O-N 2.78Å; F72-T129 HydrophobicContact CD1-CG2 3.65Å; F72-T129 HydrophobicContact CE1-CG2 3.71Å; F72-Q131 HydrophobicContact CE1-CG 3.63Å; F72-Q131 HydrophobicContact CE2-CG 4.15Å; F72-Q131 HydrophobicContact CZ-CB 4.06Å; F72-Q131 HydrophobicContact CZ-CG 3.45Å; F72-Q131 VanDerWaalsContact CZ-CG 3.45Å
73G62.8Low59.6Low50 Ų5074.4 Ų74.452%0.51545%0.449SS..Hα-helixtrans-63.7-45.2177.400000112.1M69 D70 G76 G77M69-G73 PolarHBondContact O-N 3.2Å; D70-G73 PolarHBondContact O-N 2.9Å; G73-G76 PolarHBondContact O-N 3.14Å; G73-G77 PolarHBondContact O-N 2.87Å
74M68.3Low60.9Low137 Ų13780.2 Ų80.268%0.67545%0.452SS*.Hα-helixtrans-63.1-45179.6-170.617371.900112.1D70 G77 M78D70-M74 WeakPolarHBondContact O-CB 3.3Å; D70-M74 PolarHBondContact O-N 3.26Å; M74-G77 PolarHBondContact O-N 2.79Å; M74-M78 PolarHBondContact O-N 3.48Å; M74-M78 VanDerWaalsContact O-N 3.09Å
75M67.1Low61.8Low12 Ų1278 Ų786%0.05944%0.441CS..Hα-helixtrans-73.5-33.3179.8-150158.479.200112M71 M78 M79 S117 L119M71-M75 WeakPolarHBondContact O-CB 3.42Å; M71-M75 PolarHBondContact O-N 2.93Å; M75-M78 PolarHBondContact O-N 2.8Å; M75-M79 VanDerWaalsContact O-CB 3.29Å; M75-M79 WeakPolarHBondContact O-CB 3.38Å; M75-M79 PolarHBondContact O-N 2.79Å; M75-S117 WeakPolarHBondContact CE-O 3.38Å; M75-S117 WeakPolarHBondContact CE-OG 3.29Å; M75-L119 HydrophobicContact CE-CB 3.27Å
76G66.8Low63Low20 Ų2076 Ų7621%0.20641%0.411CS..Hα-helixtrans-57.8-45.9169.400000112.2F72 G73 M79 E80F72-G76 PolarHBondContact O-N 2.78Å; G73-G76 PolarHBondContact O-N 3.14Å; G76-M79 PolarHBondContact O-N 2.85Å; G76-E80 WeakPolarHBondContact O-CB 3.39Å; G76-E80 PolarHBondContact O-N 2.77Å
77G71.7Confident63.6Low40 Ų4077.7 Ų77.741%0.41243%0.429SS..Hα-helixtrans-65.3-38.5176.700000113.6G73 M74 N81G73-G77 PolarHBondContact O-N 2.87Å; M74-G77 PolarHBondContact O-N 2.79Å; G77-N81 PolarHBondContact O-N 2.8Å; G77-N81 VanDerWaalsContact O-N 3.15Å
78M70.3Confident64Low127 Ų12779.3 Ų79.363%0.62644%0.438SS*.Hα-helixtrans-66.1-41.4174.3-174.7175.3-179.300111.8M74 M75 N81 M82M74-M78 PolarHBondContact O-N 3.48Å; M74-M78 VanDerWaalsContact O-N 3.09Å; M75-M78 PolarHBondContact O-N 2.8Å; M78-N81 WeakPolarHBondContact O-CB 3.33Å; M78-N81 PolarHBondContact O-N 3.37Å; M78-M82 PolarHBondContact O-N 3.44Å
79M69.1Low64.4Low6 Ų683.3 Ų83.33%0.0347%0.469CS..Hα-helixtrans-65.1-42.8177.5-163.1100.215200111.5M75 G76 N81 M82 D83 T93 L119 T121M75-M79 VanDerWaalsContact O-CB 3.29Å; M75-M79 WeakPolarHBondContact O-CB 3.38Å; M75-M79 PolarHBondContact O-N 2.79Å; G76-M79 PolarHBondContact O-N 2.85Å; M79-N81 VanDerWaalsContact C-N 3.28Å; M79-N81 PolarHBondContact O-N 3.36Å; M79-M82 CarbonylContact O-C 3.58Å; M79-M82 WeakPolarHBondContact O-CA 3.39Å; M79-M82 WeakPolarHBondContact O-CB 3.49Å; M79-M82 PolarHBondContact O-N 3.41Å; M79-D83 PolarHBondContact O-N 2.9Å; M79-T93 HydrophobicContact CE-CG2 3.54Å; M79-T93 WeakPolarHBondContact CE-O 3.34Å; M79-T93 HydrophobicContact CG-CG2 3.95Å; M79-T93 HydrophobicContact SD-CG2 3.49Å; M79-T93 WeakPolarHBondContact SD-CG2 3.18Å; M79-L119 HydrophobicContact CB-CD2 3.67Å; M79-L119 HydrophobicContact CE-CD2 4.29Å; M79-L119 HydrophobicContact CE-CG 3.96Å; M79-L119 WeakPolarHBondContact CE-O 3.38Å; M79-L119 HydrophobicContact CG-CD2 3.87Å; M79-L119 HydrophobicContact SD-CD2 3.87Å; M79-L119 HydrophobicContact SD-CG 4.09Å; M79-T121 VanDerWaalsContact CE-OG1 3.26Å; M79-T121 WeakPolarHBondContact CE-OG1 3.39Å
80E72.6Confident65.1Low104 Ų10481.7 Ų81.749%0.48646%0.463SS..Hα-helixtrans-61.9-38.8176.9-167.5-172.5155.300111.3G76 M82 D83 R84G76-E80 WeakPolarHBondContact O-CB 3.39Å; G76-E80 PolarHBondContact O-N 2.77Å; E80-M82 VanDerWaalsContact C-N 3.33Å; E80-D83 PolarHBondContact O-N 2.82Å; E80-R84 VanDerWaalsContact O-CG 3.28Å; E80-R84 WeakPolarHBondContact O-CG 3.34Å; E80-R84 PolarHBondContact O-N 3.29Å; E80-R84 IonicContact OE1-CZ 3.5Å; E80-R84 IonicContact OE1-NE 3.57Å; E80-R84 IonicContact OE1-NH2 3.85Å; E80-R84 PolarHBondContact OE1-NH2 3.48Å
81N72.3Confident65.7Low88 Ų8879.1 Ų79.147%0.47145%0.453SS..Hα-helixtrans-64.3-39.8172.7-165.3-1.7000111.5G77 M78 M79 R84 M85G77-N81 PolarHBondContact O-N 2.8Å; G77-N81 VanDerWaalsContact O-N 3.15Å; M78-N81 WeakPolarHBondContact O-CB 3.33Å; M78-N81 PolarHBondContact O-N 3.37Å; M79-N81 VanDerWaalsContact C-N 3.28Å; M79-N81 PolarHBondContact O-N 3.36Å; N81-R84 WeakPolarHBondContact O-CB 3.3Å; N81-R84 PolarHBondContact O-N 3.1Å; N81-M85 WeakPolarHBondContact O-CG 3.37Å; N81-M85 PolarHBondContact O-N 2.87Å
82M68.2Low66.6Low116 Ų11681.2 Ų81.257%0.57146%0.463SS*.Hα-helixtrans-68.5-37.2176.4-165.1130.7177.300112.7M78 M79 E80 R84 M85 S86M78-M82 PolarHBondContact O-N 3.44Å; M79-M82 CarbonylContact O-C 3.58Å; M79-M82 WeakPolarHBondContact O-CA 3.39Å; M79-M82 WeakPolarHBondContact O-CB 3.49Å; M79-M82 PolarHBondContact O-N 3.41Å; E80-M82 VanDerWaalsContact C-N 3.33Å; M82-R84 VanDerWaalsContact C-N 3.35Å; M82-M85 CarbonylContact O-C 3.57Å; M82-M85 PolarHBondContact O-N 3.41Å; M82-S86 WeakPolarHBondContact O-CB 3.36Å; M82-S86 PolarHBondContact O-N 2.89Å
83D66.6Low67.4Low58 Ų5879.9 Ų79.931%0.3146%0.459SS..Hα-helixtrans-66.2-36.5172.9-83.2-41.5000111.4M79 E80 M85 S86 G87 T93M79-D83 PolarHBondContact O-N 2.9Å; E80-D83 PolarHBondContact O-N 2.82Å; D83-M85 VanDerWaalsContact C-N 3.29Å; D83-M85 PolarHBondContact O-N 3.22Å; D83-S86 PolarHBondContact O-N 3.22Å; D83-S86 PolarHBondContact O-OG 3.28Å; D83-G87 PolarHBondContact O-N 2.72Å; D83-T93 PolarHBondContact OD1-OG1 2.62Å
84R67.3Low68.3Low185 Ų18581.4 Ų81.470%0.69845%0.451SS*.Hα-helixtrans-64.4-32.4170.7-71.6174.5-172.3-1644.5112.7E80 N81 M82E80-R84 VanDerWaalsContact O-CG 3.28Å; E80-R84 WeakPolarHBondContact O-CG 3.34Å; E80-R84 PolarHBondContact O-N 3.29Å; E80-R84 IonicContact OE1-CZ 3.5Å; E80-R84 IonicContact OE1-NE 3.57Å; E80-R84 IonicContact OE1-NH2 3.85Å; E80-R84 PolarHBondContact OE1-NH2 3.48Å; N81-R84 WeakPolarHBondContact O-CB 3.3Å; N81-R84 PolarHBondContact O-N 3.1Å; M82-R84 VanDerWaalsContact C-N 3.35Å
85M60.6Low68.9Low152 Ų15276 Ų7675%0.74943%0.427SS*.Hα-helixtrans-81.9-32.1175.9-73.3-174-178.300113.5N81 M82 D83 G87N81-M85 WeakPolarHBondContact O-CG 3.37Å; N81-M85 PolarHBondContact O-N 2.87Å; M82-M85 CarbonylContact O-C 3.57Å; M82-M85 PolarHBondContact O-N 3.41Å; D83-M85 VanDerWaalsContact C-N 3.29Å; D83-M85 PolarHBondContact O-N 3.22Å; M85-G87 VanDerWaalsContact C-N 3.31Å; M85-G87 PolarHBondContact O-N 2.65Å
86S63.3Low69.5Low51 Ų5177.4 Ų77.436%0.35744%0.438SS..Hα-helixtrans-73-25.4-175.480.60000112.3M82 D83 S88M82-S86 WeakPolarHBondContact O-CB 3.36Å; M82-S86 PolarHBondContact O-N 2.89Å; D83-S86 PolarHBondContact O-N 3.22Å; D83-S86 PolarHBondContact O-OG 3.28Å; S86-S88 PolarHBondContact O-N 3.17Å
87G56.3Low70.1Confident70 Ų7079.1 Ų79.172%0.72245%0.447SS*.  trans58.38.5169.700000115.3D83 M85D83-G87 PolarHBondContact O-N 2.72Å; M85-G87 VanDerWaalsContact C-N 3.31Å; M85-G87 PolarHBondContact O-N 2.65Å
88S58.3Low70.6Confident49 Ų4978.7 Ų78.734%0.34344%0.436SS..  trans-111.4115-170167.40000109.6S86 N90 C91S86-S88 PolarHBondContact O-N 3.17Å; S88-N90 PolarHBondContact O-N 2.61Å; S88-C91 PolarHBondContact OG-SG 3.06Å
89P58.5Low71.2Confident129 Ų12975.4 Ų75.484%0.83842%0.423SS*.THydrogen-bonded Turntrans-72.62.8-174.128.3-34.7000114.6
90N64.9Low71.9Confident120 Ų12077.6 Ų77.664%0.64243%0.434SS*.THydrogen-bonded Turntrans-137.620.1-174.9-149.725.5000114S88 P123S88-N90 PolarHBondContact O-N 2.61Å; N90-P123 WeakPolarHBondContact OD1-CG 3.31Å
91C72.4Confident72.3Confident62 Ų6275.5 Ų75.542%0.41943%0.431SS..  trans-88.7142.4177.5-83.30000111.4S88S88-C91 PolarHBondContact OG-SG 3.06Å
92Q78.9Confident72.7Confident84 Ų8478.8 Ų78.839%0.39344%0.438SS..  trans-82.9136.2160.8-69.717930.500108.5T121 A122 Y195Q92-T121 WeakPolarHBondContact CA-O 3.18Å; Q92-A122 HydrophobicContact CG-CB 3.98Å; Q92-Y195 HydrophobicContact CG-CD1 4.25Å; Q92-Y195 HydrophobicContact CG-CG 4.41Å; Q92-Y195 VanDerWaalsContact NE2-CG 3.33Å
93T78.9Confident73.1Confident18 Ų1876.2 Ų76.211%0.1143%0.431CS..EExtended strand (participates in β ladder)trans-113.6138.1175.3-56.70000107.6M79 D83 R120 T121M79-T93 HydrophobicContact CE-CG2 3.54Å; M79-T93 WeakPolarHBondContact CE-O 3.34Å; M79-T93 HydrophobicContact CG-CG2 3.95Å; M79-T93 HydrophobicContact SD-CG2 3.49Å; M79-T93 WeakPolarHBondContact SD-CG2 3.18Å; D83-T93 PolarHBondContact OD1-OG1 2.62Å; T93-R120 WeakPolarHBondContact O-CA 3.48Å; T93-T121 PolarHBondContact N-O 3.23Å; T93-T121 PolarHBondContact O-N 3.35Å
94F82.2Confident73.3Confident81 Ų8177.5 Ų77.536%0.35545%0.445SS..EExtended strand (participates in β ladder)trans-133.2131.3177.1172.5-99000108.6E118 L119 R120 P198F94-E118 HydrophobicContact CE2-CB 4.27Å; F94-L119 WeakPolarHBondContact CA-O 3.28Å; F94-R120 HydrophobicContact CD2-CB 4.32Å; F94-P198 HydrophobicContact CG-CG 4.45Å
95S80.8Confident73.4Confident25 Ų2572.7 Ų72.718%0.17544%0.44CS..EExtended strand (participates in β ladder)trans-131.2132.6176.3-175.90000108.8E118 L119S95-E118 CarbonylContact O-C 3.55Å; S95-E118 VanDerWaalsContact O-CA 3.27Å; S95-E118 WeakPolarHBondContact O-CA 3.46Å; S95-L119 PolarHBondContact N-O 2.63Å; S95-L119 PolarHBondContact O-N 2.94Å
96S80.4Confident73.2Confident40 Ų4073 Ų7328%0.2845%0.445SS..EExtended strand (participates in β ladder)trans-138132.2176.1176.60000109.4S117S96-S117 CarbonylContact C-O 3.54Å; S96-S117 VanDerWaalsContact CA-O 3.32Å; S96-S117 WeakPolarHBondContact CA-O 3.42Å
97S79.1Confident73.1Confident57 Ų5779.7 Ų79.740%0.39947%0.473SS..EExtended strand (participates in β ladder)trans-126.4138.7177.2-179.50000109T116 S117S97-T116 CarbonylContact O-C 3.59Å; S97-T116 WeakPolarHBondContact O-CA 3.31Å; S97-S117 PolarHBondContact N-O 2.83Å; S97-S117 PolarHBondContact O-N 3.04Å
98T81.3Confident73.6Confident31 Ų3178.8 Ų78.819%0.1946%0.463CS..EExtended strand (participates in β ladder)trans-140133.1174.5-53.70000111.8Q21 I100 Q114 Q115 T116Q21-T98 PolarHBondContact NE2-OG1 2.86Å; Q21-T98 VanDerWaalsContact NE2-OG1 3.15Å; Q21-T98 PolarHBondContact OE1-OG1 2.92Å; T98-I100 HydrophobicContact CG2-CD1 4.37Å; T98-I100 HydrophobicContact CG2-CG1 3.86Å; T98-Q114 HydrophobicContact CG2-CG 4.14Å; T98-Q115 CarbonylContact C-O 3.57Å; T98-Q115 VanDerWaalsContact CA-O 3.32Å; T98-Q115 WeakPolarHBondContact CA-O 3.06Å; T98-Q115 WeakPolarHBondContact CG2-O 3.38Å; T98-T116 WeakPolarHBondContact CG2-OG1 3.43Å; T98-T116 VanDerWaalsContact OG1-CG2 3.32Å; T98-T116 WeakPolarHBondContact OG1-CG2 3.49Å; T98-T116 PolarHBondContact OG1-OG1 2.92Å; T98-T116 VanDerWaalsContact OG1-OG1 3.1Å
99V84.1Confident74.2Confident57 Ų5780.7 Ų80.735%0.34548%0.482SS..EExtended strand (participates in β ladder)trans-110.8130172.6-176.60000108.2F59 Q114 Q115F59-V99 HydrophobicContact CZ-CG1 4.24Å; V99-Q114 WeakPolarHBondContact O-CA 3.48Å; V99-Q115 PolarHBondContact N-O 2.6Å; V99-Q115 PolarHBondContact O-N 2.81Å
100I83.1Confident75.1Confident52 Ų5278.3 Ų78.327%0.26747%0.466SS..EExtended strand (participates in β ladder)trans-127.4124.8173.7-43.3-177.7000108.1M25 T98 Y102 V112 Y113 Q114M25-I100 HydrophobicContact CE-CD1 4.29Å; T98-I100 HydrophobicContact CG2-CD1 4.37Å; T98-I100 HydrophobicContact CG2-CG1 3.86Å; I100-Y102 HydrophobicContact CB-CE2 4Å; I100-Y102 HydrophobicContact CG2-CD2 4.03Å; I100-Y102 HydrophobicContact CG2-CE1 4.26Å; I100-Y102 HydrophobicContact CG2-CE2 3.31Å; I100-Y102 VanDerWaalsContact CG2-CZ 3.45Å; I100-V112 HydrophobicContact CG2-CG1 3.97Å; I100-Y113 CarbonylContact C-O 3.5Å; I100-Y113 WeakPolarHBondContact CA-O 3.39Å; I100-Q114 HydrophobicContact CG1-CG 4.06Å; I100-Q114 HydrophobicContact CG2-CB 4.39Å
101S80.2Confident76Confident60 Ų6076.3 Ų76.342%0.4245%0.452SS..EExtended strand (participates in β ladder)trans-114.2134.8173.9-174.70000109.4V112 Y113S101-V112 WeakPolarHBondContact O-CA 3.39Å; S101-Y113 PolarHBondContact N-O 2.83Å; S101-Y113 PolarHBondContact O-N 2.8Å
102Y80.7Confident76.6Confident157 Ų15774.9 Ų74.962%0.61644%0.441SS*.EExtended strand (participates in β ladder)trans-120.7131.5178.3-65.1-87.5000108.5I100 K111 V112I100-Y102 HydrophobicContact CB-CE2 4Å; I100-Y102 HydrophobicContact CG2-CD2 4.03Å; I100-Y102 HydrophobicContact CG2-CE1 4.26Å; I100-Y102 HydrophobicContact CG2-CE2 3.31Å; I100-Y102 VanDerWaalsContact CG2-CZ 3.45Å; Y102-K111 CarbonylContact C-O 3.5Å; Y102-K111 WeakPolarHBondContact CA-O 3.38Å; Y102-V112 HydrophobicContact CD1-CB 4.43Å; Y102-V112 HydrophobicContact CD1-CG1 4.17Å; Y102-V112 HydrophobicContact CD1-CG2 3.69Å; Y102-V112 HydrophobicContact CE1-CB 4.41Å; Y102-V112 HydrophobicContact CE1-CG1 3.82Å; Y102-V112 HydrophobicContact CE1-CG2 3.74Å
103S77.5Confident76.9Confident62 Ų6273 Ų7343%0.43443%0.431SS..EExtended strand (participates in β ladder)trans-133132.316764.80000110.2K111S103-K111 PolarHBondContact N-O 2.84Å; S103-K111 PolarHBondContact O-N 2.77Å; S103-K111 WeakPolarHBondContact OG-CB 3.26Å
104S71.5Confident77.3Confident86 Ų8673.1 Ų73.160%0.60143%0.43SS*.  trans-120.9104.1175.8-177.40000107.2
105S69.2Low77.4Confident84 Ų8470 Ų7059%0.58742%0.417SS*.  trans-85.8126.8161.554.70000107.3M107 G108S105-M107 PolarHBondContact O-N 2.79Å; S105-G108 PolarHBondContact O-N 2.79Å
106D55.5Low77.5Confident158 Ų15868.9 Ų68.985%0.84541%0.409SS*.THydrogen-bonded Turntrans-56.619.6-159.9-76.9-38.1000119.6
107M61.1Low77.7Confident192 Ų19267 Ų6795%0.94640%0.396SS*.THydrogen-bonded Turntrans-139.511-178.3-68-81.5-98.400114.4S105S105-M107 PolarHBondContact O-N 2.79Å
108G67.5Low78Confident50 Ų5065.2 Ų65.252%0.51538%0.381SS..SBendtrans-149.5177.6-174.500000115.8S105S105-G108 PolarHBondContact O-N 2.79Å
109A70.4Confident78.2Confident90 Ų9064 Ų6474%0.74437%0.373SS*.SBendtrans-60.613917100000109.8K111A109-K111 PolarHBondContact O-N 2.77Å
110P76.7Confident78.3Confident78 Ų7862.4 Ų62.451%0.50636%0.361SS..PPolyproline II helixtrans-61.6133.5-178.324.2-33000110.6V112P110-V112 PolarHBondContact O-N 3.26Å
111K83.8Confident78.4Confident78 Ų7861.3 Ų61.334%0.33936%0.357SS..EExtended strand (participates in β ladder)trans-80.8117.1172.1-60.6178-179.5-174.10108.4Y102 S103 A109 S136 E137Y102-K111 CarbonylContact C-O 3.5Å; Y102-K111 WeakPolarHBondContact CA-O 3.38Å; S103-K111 PolarHBondContact N-O 2.84Å; S103-K111 PolarHBondContact O-N 2.77Å; S103-K111 WeakPolarHBondContact OG-CB 3.26Å; A109-K111 PolarHBondContact O-N 2.77Å; K111-S136 WeakPolarHBondContact CA-OG 3.29Å; K111-E137 HydrophobicContact CD-CB 4.29Å; K111-E137 HydrophobicContact CD-CG 4.32Å; K111-E137 IonicContact NZ-OE1 2.69Å; K111-E137 PolarHBondContact NZ-OE1 3.35Å
112V84.9Confident78.7Confident33 Ų3358.8 Ų58.820%0.234%0.339CS..EExtended strand (participates in β ladder)trans-109.7128.7175-170.40000109.5I100 S101 Y102 P110 S136I100-V112 HydrophobicContact CG2-CG1 3.97Å; S101-V112 WeakPolarHBondContact O-CA 3.39Å; Y102-V112 HydrophobicContact CD1-CB 4.43Å; Y102-V112 HydrophobicContact CD1-CG1 4.17Å; Y102-V112 HydrophobicContact CD1-CG2 3.69Å; Y102-V112 HydrophobicContact CE1-CB 4.41Å; Y102-V112 HydrophobicContact CE1-CG1 3.82Å; Y102-V112 HydrophobicContact CE1-CG2 3.74Å; P110-V112 PolarHBondContact O-N 3.26Å; V112-S136 PolarHBondContact N-OG 3.38Å; V112-S136 PolarHBondContact O-N 3.04Å; V112-S136 PolarHBondContact O-OG 2.89Å
113Y86.3Confident78.8Confident44 Ų4452.6 Ų52.617%0.17332%0.318CS..EExtended strand (participates in β ladder)trans-113.1128.3163.8178.8-91.6000108.3I100 S101 Q115 M133 D135I100-Y113 CarbonylContact C-O 3.5Å; I100-Y113 WeakPolarHBondContact CA-O 3.39Å; S101-Y113 PolarHBondContact N-O 2.83Å; S101-Y113 PolarHBondContact O-N 2.8Å; Y113-Q115 HydrophobicContact CE1-CB 3.78Å; Y113-Q115 PolarHBondContact OH-OE1 2.78Å; Y113-M133 HydrophobicContact CE2-CE 3.39Å; Y113-M133 HydrophobicContact CE2-CG 4.11Å; Y113-M133 HydrophobicContact CE2-SD 4.43Å; Y113-M133 WeakPolarHBondContact OH-CE 3.13Å; Y113-D135 HydrophobicContact CD2-CB 4.04Å; Y113-D135 HydrophobicContact CE2-CB 4.47Å
114Q86.1Confident79.1Confident21 Ų2151.7 Ų51.710%0.09832%0.319CS..EExtended strand (participates in β ladder)trans-133133.3177.5178.7167.210.700110.1F18 T98 V99 I100 M133 R134F18-Q114 HydrophobicContact CD1-CG 4.05Å; F18-Q114 HydrophobicContact CE1-CG 3.52Å; F18-Q114 HydrophobicContact CZ-CG 4.23Å; T98-Q114 HydrophobicContact CG2-CG 4.14Å; V99-Q114 WeakPolarHBondContact O-CA 3.48Å; I100-Q114 HydrophobicContact CG1-CG 4.06Å; I100-Q114 HydrophobicContact CG2-CB 4.39Å; Q114-M133 CarbonylContact O-C 3.54Å; Q114-M133 VanDerWaalsContact O-CA 3.31Å; Q114-M133 WeakPolarHBondContact O-CA 3.36Å; Q114-R134 PolarHBondContact N-O 3.19Å; Q114-R134 PolarHBondContact O-N 3.23Å
115Q86Confident79.8Confident16 Ų1648.4 Ų48.48%0.07530%0.299CS..EExtended strand (participates in β ladder)trans-137.8122.3175.4-179.7176.5-24.300109.9M71 T98 V99 Y113 S132M71-Q115 PolarHBondContact SD-NE2 2.82Å; T98-Q115 CarbonylContact C-O 3.57Å; T98-Q115 VanDerWaalsContact CA-O 3.32Å; T98-Q115 WeakPolarHBondContact CA-O 3.06Å; T98-Q115 WeakPolarHBondContact CG2-O 3.38Å; V99-Q115 PolarHBondContact N-O 2.6Å; V99-Q115 PolarHBondContact O-N 2.81Å; Y113-Q115 HydrophobicContact CE1-CB 3.78Å; Y113-Q115 PolarHBondContact OH-OE1 2.78Å; Q115-S132 CarbonylContact C-O 3.5Å; Q115-S132 WeakPolarHBondContact CA-O 3.49Å
116T82.8Confident80.7Confident1 Ų144.6 Ų44.61%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-117.5137.4179.5-57.80000109.2F18 Q21 S97 T98 E118 Q131 S132F18-T116 WeakPolarHBondContact CE1-OG1 3.48Å; Q21-T116 PolarHBondContact OE1-OG1 2.9Å; S97-T116 CarbonylContact O-C 3.59Å; S97-T116 WeakPolarHBondContact O-CA 3.31Å; T98-T116 WeakPolarHBondContact CG2-OG1 3.43Å; T98-T116 VanDerWaalsContact OG1-CG2 3.32Å; T98-T116 WeakPolarHBondContact OG1-CG2 3.49Å; T98-T116 PolarHBondContact OG1-OG1 2.92Å; T98-T116 VanDerWaalsContact OG1-OG1 3.1Å; T116-E118 HydrophobicContact CG2-CG 4.05Å; T116-Q131 CarbonylContact O-C 3.57Å; T116-Q131 VanDerWaalsContact O-CA 3.25Å; T116-Q131 WeakPolarHBondContact O-CA 3.05Å; T116-S132 WeakPolarHBondContact CB-OG 3.42Å; T116-S132 PolarHBondContact N-O 2.83Å; T116-S132 PolarHBondContact O-N 3.39Å
117S84.4Confident82.3Confident0 Ų042.2 Ų42.20%025%0.251CS..EExtended strand (participates in β ladder)trans-131128.4174.8-177.40000108.8M75 S96 S97 R130 Q131M75-S117 WeakPolarHBondContact CE-O 3.38Å; M75-S117 WeakPolarHBondContact CE-OG 3.29Å; S96-S117 CarbonylContact C-O 3.54Å; S96-S117 VanDerWaalsContact CA-O 3.32Å; S96-S117 WeakPolarHBondContact CA-O 3.42Å; S97-S117 PolarHBondContact N-O 2.83Å; S97-S117 PolarHBondContact O-N 3.04Å; S117-R130 CarbonylContact C-O 3.13Å; S117-R130 WeakPolarHBondContact CA-O 3.42Å; S117-Q131 PolarHBondContact OG-NE2 3.39Å
118E84.7Confident83.6Confident19 Ų1935.1 Ų35.19%0.08922%0.215CC..EExtended strand (participates in β ladder)trans-126.7141.1178.9-44.4-175.5154.500109.9F94 S95 T116 T129 R130F94-E118 HydrophobicContact CE2-CB 4.27Å; S95-E118 CarbonylContact O-C 3.55Å; S95-E118 VanDerWaalsContact O-CA 3.27Å; S95-E118 WeakPolarHBondContact O-CA 3.46Å; T116-E118 HydrophobicContact CG2-CG 4.05Å; E118-T129 WeakPolarHBondContact O-CA 3.48Å; E118-R130 HydrophobicContact CB-CB 4.19Å; E118-R130 PolarHBondContact N-O 3.29Å; E118-R130 PolarHBondContact O-N 2.95Å
119L86.2Confident84.7Confident6 Ų633 Ų333%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-138.1130.8178.1174.869.9000107.1M75 M79 F94 S95 E128 T129M75-L119 HydrophobicContact CE-CB 3.27Å; M79-L119 HydrophobicContact CB-CD2 3.67Å; M79-L119 HydrophobicContact CE-CD2 4.29Å; M79-L119 HydrophobicContact CE-CG 3.96Å; M79-L119 WeakPolarHBondContact CE-O 3.38Å; M79-L119 HydrophobicContact CG-CD2 3.87Å; M79-L119 HydrophobicContact SD-CD2 3.87Å; M79-L119 HydrophobicContact SD-CG 4.09Å; F94-L119 WeakPolarHBondContact CA-O 3.28Å; S95-L119 PolarHBondContact N-O 2.63Å; S95-L119 PolarHBondContact O-N 2.94Å; L119-E128 CarbonylContact C-O 3.5Å; L119-E128 WeakPolarHBondContact CA-O 3.27Å; L119-T129 HydrophobicContact CD1-CG2 3.48Å; L119-T129 VanDerWaalsContact CD1-CG2 3.48Å
120R85Confident85.5Confident24 Ų2430.3 Ų30.39%0.09116%0.163CC..EExtended strand (participates in β ladder)trans-130.9128.5179.4-176.9168.872131.63.1108.9T93 F94 R127 E128 Y195 P196T93-R120 WeakPolarHBondContact O-CA 3.48Å; F94-R120 HydrophobicContact CD2-CB 4.32Å; R120-R127 CarbonylContact O-C 3.5Å; R120-R127 VanDerWaalsContact O-CA 3.3Å; R120-R127 WeakPolarHBondContact O-CA 3.25Å; R120-E128 HydrophobicContact CB-CB 4.22Å; R120-E128 IonicContact CZ-OE2 3.03Å; R120-E128 PolarHBondContact N-O 3.45Å; R120-E128 IonicContact NE-OE2 2.82Å; R120-E128 PolarHBondContact NE-OE2 2.87Å; R120-E128 IonicContact NH2-OE2 2.6Å; R120-E128 PolarHBondContact NH2-OE2 3.46Å; R120-E128 PolarHBondContact O-N 3.29Å; R120-Y195 PolarHBondContact NH1-O 3.38Å; R120-P196 VanDerWaalsContact NH1-C 3.29Å
121T86.1Confident85.9Confident28 Ų2826.9 Ų26.917%0.17214%0.14CC..EExtended strand (participates in β ladder)trans-121.6137.8177.9-53.60000108.3M79 Q92 T93 I126 R127M79-T121 VanDerWaalsContact CE-OG1 3.26Å; M79-T121 WeakPolarHBondContact CE-OG1 3.39Å; Q92-T121 WeakPolarHBondContact CA-O 3.18Å; T93-T121 PolarHBondContact N-O 3.23Å; T93-T121 PolarHBondContact O-N 3.35Å; T121-I126 CarbonylContact C-O 3.56Å; T121-I126 WeakPolarHBondContact CA-O 3.31Å; T121-R127 HydrophobicContact CG2-CG 3.88Å
122A86.1Confident86.1Confident7 Ų723.4 Ų23.46%0.05813%0.126CC..EExtended strand (participates in β ladder)trans-132.9158.9175.200000110.9Q92 I126 Y195Q92-A122 HydrophobicContact CG-CB 3.98Å; A122-I126 HydrophobicContact CB-CB 4.05Å; A122-I126 HydrophobicContact CB-CD1 4.34Å; A122-I126 HydrophobicContact CB-CG2 4.21Å; A122-I126 PolarHBondContact N-O 3.11Å; A122-I126 PolarHBondContact O-N 3.29Å; A122-Y195 HydrophobicContact CB-CD2 3.59Å; A122-Y195 HydrophobicContact CB-CE2 4.04Å; A122-Y195 HydrophobicContact CB-CG 3.95Å
123P83.3Confident86.2Confident27 Ų2723.4 Ų23.418%0.17512%0.124CC..THydrogen-bonded Turntrans-54.9147.2176-24.334.7000111.6N90N90-P123 WeakPolarHBondContact OD1-CG 3.31Å
124G83.3Confident86.2Confident44 Ų4426.2 Ų26.245%0.45413%0.134SC..THydrogen-bonded Turntrans87.222.5-177.600000114.6I126 W150G124-I126 VanDerWaalsContact C-N 3.3Å; G124-I126 PolarHBondContact O-N 3.47Å; G124-W150 PolarHBondContact O-NE1 3.18Å; G124-W150 VanDerWaalsContact O-NE1 3.07Å
125G85.4Confident86.2Confident16 Ų1626.5 Ų26.517%0.16514%0.136CC..THydrogen-bonded Turntrans78.211.7173.700000114.4W150G125-W150 PolarHBondContact O-N 2.78Å
126I89Confident86.1Confident5 Ų528.2 Ų28.23%0.02615%0.15CC..EExtended strand (participates in β ladder)trans-78.6123.9-178.2-60.3166.7000108.8T121 A122 G124 W188 T191 A192 Y195T121-I126 CarbonylContact C-O 3.56Å; T121-I126 WeakPolarHBondContact CA-O 3.31Å; A122-I126 HydrophobicContact CB-CB 4.05Å; A122-I126 HydrophobicContact CB-CD1 4.34Å; A122-I126 HydrophobicContact CB-CG2 4.21Å; A122-I126 PolarHBondContact N-O 3.11Å; A122-I126 PolarHBondContact O-N 3.29Å; G124-I126 VanDerWaalsContact C-N 3.3Å; G124-I126 PolarHBondContact O-N 3.47Å; I126-W188 HydrophobicContact CB-CH2 4.43Å; I126-W188 HydrophobicContact CB-CZ3 4.12Å; I126-W188 HydrophobicContact CG1-CZ3 4.49Å; I126-W188 HydrophobicContact CG2-CE3 4.4Å; I126-W188 HydrophobicContact CG2-CH2 3.42Å; I126-W188 VanDerWaalsContact CG2-CH2 3.42Å; I126-W188 HydrophobicContact CG2-CZ2 4.35Å; I126-W188 HydrophobicContact CG2-CZ3 3.45Å; I126-W188 VanDerWaalsContact CG2-CZ3 3.45Å; I126-T191 HydrophobicContact CD1-CG2 3.29Å; I126-T191 HydrophobicContact CG1-CG2 3.93Å; I126-A192 HydrophobicContact CG2-CB 4.42Å; I126-Y195 HydrophobicContact CD1-CD2 3.6Å; I126-Y195 HydrophobicContact CD1-CE2 3.68Å
127R89.4Confident86.1Confident108 Ų10833.9 Ų33.941%0.40818%0.177SC..EExtended strand (participates in β ladder)trans-137.1118.2175.4-77.1173.451.8-163.5-8.2110.5R120 T121 H148 W188R120-R127 CarbonylContact O-C 3.5Å; R120-R127 VanDerWaalsContact O-CA 3.3Å; R120-R127 WeakPolarHBondContact O-CA 3.25Å; T121-R127 HydrophobicContact CG2-CG 3.88Å; R127-H148 HydrophobicContact CB-CB 3.99Å; R127-H148 PolarHBondContact N-O 3.42Å; R127-H148 WeakPolarHBondContact O-CB 3.5Å; R127-H148 PolarHBondContact O-CD2 3.43Å; R127-H148 PolarHBondContact O-N 3.29Å; R127-W188 VanDerWaalsContact C-CH2 3.44Å; R127-W188 WeakPolarHBondContact O-CH2 3.44Å
128E89.1Confident86Confident43 Ų4336 Ų3620%0.20119%0.191CC..EExtended strand (participates in β ladder)trans-106.9135.7173.5-171.8-178.6-172.700109.3L119 R120 G146 W188L119-E128 CarbonylContact C-O 3.5Å; L119-E128 WeakPolarHBondContact CA-O 3.27Å; R120-E128 HydrophobicContact CB-CB 4.22Å; R120-E128 IonicContact CZ-OE2 3.03Å; R120-E128 PolarHBondContact N-O 3.45Å; R120-E128 IonicContact NE-OE2 2.82Å; R120-E128 PolarHBondContact NE-OE2 2.87Å; R120-E128 IonicContact NH2-OE2 2.6Å; R120-E128 PolarHBondContact NH2-OE2 3.46Å; R120-E128 PolarHBondContact O-N 3.29Å; E128-G146 CarbonylContact C-O 3.52Å; E128-G146 WeakPolarHBondContact CA-O 3.2Å; E128-W188 HydrophobicContact CB-CH2 4.26Å; E128-W188 HydrophobicContact CB-CZ2 3.83Å; E128-W188 HydrophobicContact CG-CZ2 4.25Å
129T88.9Confident86Confident6 Ų635.3 Ų35.34%0.03719%0.189CC..EExtended strand (participates in β ladder)trans-124.113417848.50000108.7F72 E118 L119 I145 G146 H148F72-T129 HydrophobicContact CD1-CG2 3.65Å; F72-T129 HydrophobicContact CE1-CG2 3.71Å; E118-T129 WeakPolarHBondContact O-CA 3.48Å; L119-T129 HydrophobicContact CD1-CG2 3.48Å; L119-T129 VanDerWaalsContact CD1-CG2 3.48Å; T129-I145 CarbonylContact O-C 3.51Å; T129-I145 VanDerWaalsContact O-CA 3.3Å; T129-I145 WeakPolarHBondContact O-CA 3.31Å; T129-G146 PolarHBondContact N-O 2.7Å; T129-G146 PolarHBondContact O-N 2.81Å; T129-G146 WeakPolarHBondContact OG1-CA 3.39Å; T129-G146 PolarHBondContact OG1-N 2.86Å; T129-G146 PolarHBondContact OG1-O 2.81Å; T129-H148 PolarHBondContact OG1-NE2 3.45Å
130R88.3Confident86Confident33 Ų3337.3 Ų37.313%0.12520%0.2CC..EExtended strand (participates in β ladder)trans-139.1129.4179-179.4178.3-164.9-169.25.7109.8M15 S117 E118 L143 A144 I145M15-R130 PolarHBondContact O-NH2 2.94Å; S117-R130 CarbonylContact C-O 3.13Å; S117-R130 WeakPolarHBondContact CA-O 3.42Å; E118-R130 HydrophobicContact CB-CB 4.19Å; E118-R130 PolarHBondContact N-O 3.29Å; E118-R130 PolarHBondContact O-N 2.95Å; R130-L143 HydrophobicContact CG-CD1 4.28Å; R130-A144 CarbonylContact C-O 3.56Å; R130-A144 WeakPolarHBondContact CA-O 3.18Å; R130-I145 HydrophobicContact CG-CG1 4.31Å
131Q85Confident86.2Confident5 Ų538.8 Ų38.82%0.02321%0.208CC..EExtended strand (participates in β ladder)trans-133.3132.3175.9-78.7-178.5-7.300109.9F68 F72 T116 S117 L143 A144F68-Q131 PolarHBondContact O-NE2 2.88Å; F72-Q131 HydrophobicContact CE1-CG 3.63Å; F72-Q131 HydrophobicContact CE2-CG 4.15Å; F72-Q131 HydrophobicContact CZ-CB 4.06Å; F72-Q131 HydrophobicContact CZ-CG 3.45Å; F72-Q131 VanDerWaalsContact CZ-CG 3.45Å; T116-Q131 CarbonylContact O-C 3.57Å; T116-Q131 VanDerWaalsContact O-CA 3.25Å; T116-Q131 WeakPolarHBondContact O-CA 3.05Å; S117-Q131 PolarHBondContact OG-NE2 3.39Å; Q131-L143 CarbonylContact O-C 3.4Å; Q131-L143 VanDerWaalsContact O-CA 3.31Å; Q131-L143 WeakPolarHBondContact O-CA 3.46Å; Q131-A144 HydrophobicContact CB-CB 4.44Å; Q131-A144 PolarHBondContact N-O 2.86Å; Q131-A144 PolarHBondContact O-N 2.75Å
132S86.8Confident86.3Confident5 Ų540.5 Ų40.54%0.03521%0.211CC..EExtended strand (participates in β ladder)trans-131.2133.6176.3580000110.6P17 F18 Q115 T116 R142P17-S132 VanDerWaalsContact CG-OG 3.29Å; P17-S132 WeakPolarHBondContact CG-OG 3.24Å; F18-S132 WeakPolarHBondContact CE1-OG 3.43Å; F18-S132 VanDerWaalsContact CZ-OG 3.28Å; F18-S132 WeakPolarHBondContact CZ-OG 3.44Å; Q115-S132 CarbonylContact C-O 3.5Å; Q115-S132 WeakPolarHBondContact CA-O 3.49Å; T116-S132 WeakPolarHBondContact CB-OG 3.42Å; T116-S132 PolarHBondContact N-O 2.83Å; T116-S132 PolarHBondContact O-N 3.39Å; S132-R142 CarbonylContact C-O 3.6Å; S132-R142 VanDerWaalsContact CA-O 3.31Å; S132-R142 WeakPolarHBondContact CA-O 3.48Å
133M87.3Confident86.5Confident33 Ų3341.5 Ų41.516%0.16322%0.215CC..EExtended strand (participates in β ladder)trans-128.4136.2-179.3178.7-171.9170.800108.9F68 Y113 Q114 E141 R142F68-M133 HydrophobicContact CZ-SD 4.3Å; Y113-M133 HydrophobicContact CE2-CE 3.39Å; Y113-M133 HydrophobicContact CE2-CG 4.11Å; Y113-M133 HydrophobicContact CE2-SD 4.43Å; Y113-M133 WeakPolarHBondContact OH-CE 3.13Å; Q114-M133 CarbonylContact O-C 3.54Å; Q114-M133 VanDerWaalsContact O-CA 3.31Å; Q114-M133 WeakPolarHBondContact O-CA 3.36Å; M133-E141 CarbonylContact O-C 3.51Å; M133-E141 WeakPolarHBondContact O-CA 3.5Å; M133-R142 HydrophobicContact CB-CB 4.44Å; M133-R142 PolarHBondContact N-O 2.81Å; M133-R142 PolarHBondContact O-N 2.82Å
134R86.5Confident86.8Confident104 Ų10440.3 Ų40.339%0.39221%0.208SC..EExtended strand (participates in β ladder)trans-136.7119.8177.4-179.5169-165.5-127.41.7109.3F18 Q114 E141F18-R134 HydrophobicContact CE2-CB 4.34Å; F18-R134 HydrophobicContact CZ-CB 4.28Å; Q114-R134 PolarHBondContact N-O 3.19Å; Q114-R134 PolarHBondContact O-N 3.23Å; R134-E141 HydrophobicContact CG-CG 4.06Å; R134-E141 IonicContact CZ-OE1 3.84Å; R134-E141 IonicContact NE-OE1 2.97Å; R134-E141 PolarHBondContact NE-OE1 2.92Å; R134-E141 IonicContact NH2-OE1 3.81Å
135D85.8Confident87.1Confident26 Ų2639 Ų3914%0.13919%0.191CC..EExtended strand (participates in β ladder)trans-120117.7175.6179.516.1000109.9Y113 E137 S138 G139 L140Y113-D135 HydrophobicContact CD2-CB 4.04Å; Y113-D135 HydrophobicContact CE2-CB 4.47Å; D135-E137 WeakPolarHBondContact OD1-CB 3.48Å; D135-E137 PolarHBondContact OD1-N 2.89Å; D135-S138 WeakPolarHBondContact CB-OG 3.47Å; D135-S138 VanDerWaalsContact CG-OG 3.26Å; D135-S138 VanDerWaalsContact OD2-CB 3.28Å; D135-S138 WeakPolarHBondContact OD2-CB 3.28Å; D135-S138 PolarHBondContact OD2-N 2.89Å; D135-S138 PolarHBondContact OD2-OG 3.09Å; D135-G139 CarbonylContact O-C 3.54Å; D135-G139 WeakPolarHBondContact O-CA 3.28Å; D135-G139 PolarHBondContact O-N 3.15Å; D135-L140 PolarHBondContact N-O 3.42Å; D135-L140 PolarHBondContact O-N 3.39Å
136S84Confident87.4Confident52 Ų5238.3 Ų38.336%0.36418%0.183SC..THydrogen-bonded Turntrans-80.9-15.2176.861.80000113.8K111 V112K111-S136 WeakPolarHBondContact CA-OG 3.29Å; V112-S136 PolarHBondContact N-OG 3.38Å; V112-S136 PolarHBondContact O-N 3.04Å; V112-S136 PolarHBondContact O-OG 2.89Å
137E83.6Confident87.5Confident120 Ų12038.9 Ų38.956%0.56119%0.185SC*.THydrogen-bonded Turntrans-75.9-49.6176177.4166-140.900111.1K111 D135K111-E137 HydrophobicContact CD-CB 4.29Å; K111-E137 HydrophobicContact CD-CG 4.32Å; K111-E137 IonicContact NZ-OE1 2.69Å; K111-E137 PolarHBondContact NZ-OE1 3.35Å; D135-E137 WeakPolarHBondContact OD1-CB 3.48Å; D135-E137 PolarHBondContact OD1-N 2.89Å
138S82.8Confident87.6Confident45 Ų4535.1 Ų35.132%0.31517%0.172SC..THydrogen-bonded Turntrans-87.4-12.8176.4630000114D135 L140 H163D135-S138 WeakPolarHBondContact CB-OG 3.47Å; D135-S138 VanDerWaalsContact CG-OG 3.26Å; D135-S138 VanDerWaalsContact OD2-CB 3.28Å; D135-S138 WeakPolarHBondContact OD2-CB 3.28Å; D135-S138 PolarHBondContact OD2-N 2.89Å; D135-S138 PolarHBondContact OD2-OG 3.09Å; S138-L140 PolarHBondContact O-N 3.32Å; S138-L140 VanDerWaalsContact OG-CB 3.28Å; S138-L140 WeakPolarHBondContact OG-CB 3.37Å; S138-L140 PolarHBondContact OG-N 2.96Å; S138-H163 PolarHBondContact O-CD2 3.22Å
139G84.8Confident87.7Confident4 Ų433.4 Ų33.44%0.04116%0.164CC..  trans70.111.2-172.400000113.7D135 R162 H163D135-G139 CarbonylContact O-C 3.54Å; D135-G139 WeakPolarHBondContact O-CA 3.28Å; D135-G139 PolarHBondContact O-N 3.15Å; G139-R162 PolarHBondContact O-N 3.35Å; G139-H163 WeakPolarHBondContact CA-NE2 3.44Å; G139-H163 PolarHBondContact N-NE2 3.36Å
140L86.6Confident87.7Confident49 Ų4941.9 Ų41.926%0.25720%0.196SC..EExtended strand (participates in β ladder)trans-79.6128-178-173.969.8000111.2D135 S138D135-L140 PolarHBondContact N-O 3.42Å; D135-L140 PolarHBondContact O-N 3.39Å; S138-L140 PolarHBondContact O-N 3.32Å; S138-L140 VanDerWaalsContact OG-CB 3.28Å; S138-L140 WeakPolarHBondContact OG-CB 3.37Å; S138-L140 PolarHBondContact OG-N 2.96Å
141E88.9Confident87.8Confident54 Ų5445.3 Ų45.325%0.25222%0.217SC..EExtended strand (participates in β ladder)trans-121.1123.6170.9-68.7178.3167.400107.9M133 R134 S159 R160 R162M133-E141 CarbonylContact O-C 3.51Å; M133-E141 WeakPolarHBondContact O-CA 3.5Å; R134-E141 HydrophobicContact CG-CG 4.06Å; R134-E141 IonicContact CZ-OE1 3.84Å; R134-E141 IonicContact NE-OE1 2.97Å; R134-E141 PolarHBondContact NE-OE1 2.92Å; R134-E141 IonicContact NH2-OE1 3.81Å; E141-S159 CarbonylContact O-C 3.48Å; E141-S159 WeakPolarHBondContact O-CA 3.11Å; E141-R160 PolarHBondContact N-O 3.38Å; E141-R160 PolarHBondContact O-N 3.27Å; E141-R162 WeakPolarHBondContact OE1-CD 3.38Å
142R88Confident88.2Confident64 Ų6448.3 Ų48.324%0.24223%0.228CC..EExtended strand (participates in β ladder)trans-130141-179.4-176.6167170.1169.80.1110.6F68 S132 M133 E157 R158F68-R142 HydrophobicContact CE1-CG 4.41Å; F68-R142 VanDerWaalsContact CE2-NH1 3.29Å; F68-R142 VanDerWaalsContact CZ-CD 3.46Å; F68-R142 HydrophobicContact CZ-CG 4.35Å; S132-R142 CarbonylContact C-O 3.6Å; S132-R142 VanDerWaalsContact CA-O 3.31Å; S132-R142 WeakPolarHBondContact CA-O 3.48Å; M133-R142 HydrophobicContact CB-CB 4.44Å; M133-R142 PolarHBondContact N-O 2.81Å; M133-R142 PolarHBondContact O-N 2.82Å; R142-E157 HydrophobicContact CG-CG 4.39Å; R142-E157 IonicContact CZ-OE1 2.99Å; R142-E157 IonicContact CZ-OE2 3.19Å; R142-E157 IonicContact NE-OE1 3.17Å; R142-E157 PolarHBondContact NE-OE1 2.95Å; R142-E157 VanDerWaalsContact NE-OE1 3.17Å; R142-E157 IonicContact NE-OE2 3.06Å; R142-E157 PolarHBondContact NE-OE2 2.9Å; R142-E157 IonicContact NH1-OE1 3.93Å; R142-E157 IonicContact NH2-OE1 2.65Å; R142-E157 PolarHBondContact NH2-OE1 2.8Å; R142-E157 IonicContact NH2-OE2 2.61Å; R142-E157 PolarHBondContact NH2-OE2 2.85Å; R142-R158 CarbonylContact C-O 3.49Å; R142-R158 WeakPolarHBondContact CA-O 3.45Å
143L89.7Confident88.4Confident28 Ų2848.1 Ų48.115%0.14723%0.226CC..EExtended strand (participates in β ladder)trans-135.9124.4178.1175.966.6000108.5R130 Q131 I145 E157 R158R130-L143 HydrophobicContact CG-CD1 4.28Å; Q131-L143 CarbonylContact O-C 3.4Å; Q131-L143 VanDerWaalsContact O-CA 3.31Å; Q131-L143 WeakPolarHBondContact O-CA 3.46Å; L143-I145 HydrophobicContact CD1-CD1 4.43Å; L143-I145 HydrophobicContact CD1-CG1 4.16Å; L143-I145 HydrophobicContact CD2-CD1 4.1Å; L143-I145 HydrophobicContact CG-CD1 4.27Å; L143-I145 HydrophobicContact CG-CG1 4.14Å; L143-E157 CarbonylContact O-C 3.52Å; L143-E157 WeakPolarHBondContact O-CA 3.1Å; L143-R158 PolarHBondContact N-O 3.11Å; L143-R158 PolarHBondContact O-N 3.18Å
144A89.1Confident88.6Confident3 Ų346.6 Ų46.63%0.02522%0.219CC..EExtended strand (participates in β ladder)trans-119.3129.9172.100000109.2R130 Q131 M156 E157R130-A144 CarbonylContact C-O 3.56Å; R130-A144 WeakPolarHBondContact CA-O 3.18Å; Q131-A144 HydrophobicContact CB-CB 4.44Å; Q131-A144 PolarHBondContact N-O 2.86Å; Q131-A144 PolarHBondContact O-N 2.75Å; A144-M156 CarbonylContact C-O 3.45Å; A144-M156 WeakPolarHBondContact CA-O 3.47Å; A144-E157 HydrophobicContact CB-CB 4.49Å
145I90Very high88.8Confident17 Ų1742.9 Ų42.99%0.08721%0.208CC..EExtended strand (participates in β ladder)trans-127.8115.5177.9-58.4175.9000107.6T129 R130 L143 H147 V155 M156T129-I145 CarbonylContact O-C 3.51Å; T129-I145 VanDerWaalsContact O-CA 3.3Å; T129-I145 WeakPolarHBondContact O-CA 3.31Å; R130-I145 HydrophobicContact CG-CG1 4.31Å; L143-I145 HydrophobicContact CD1-CD1 4.43Å; L143-I145 HydrophobicContact CD1-CG1 4.16Å; L143-I145 HydrophobicContact CD2-CD1 4.1Å; L143-I145 HydrophobicContact CG-CD1 4.27Å; L143-I145 HydrophobicContact CG-CG1 4.14Å; I145-H147 WeakPolarHBondContact CG2-NE2 3.33Å; I145-V155 CarbonylContact O-C 3.51Å; I145-V155 WeakPolarHBondContact O-CA 3.28Å; I145-M156 PolarHBondContact N-O 2.93Å; I145-M156 PolarHBondContact O-N 2.77Å
146G91.4Very high89.1Confident0 Ų042.9 Ų42.90%021%0.207CC..EExtended strand (participates in β ladder)trans-108.7122.5174.700000111.8E128 T129 H154E128-G146 CarbonylContact C-O 3.52Å; E128-G146 WeakPolarHBondContact CA-O 3.2Å; T129-G146 PolarHBondContact N-O 2.7Å; T129-G146 PolarHBondContact O-N 2.81Å; T129-G146 WeakPolarHBondContact OG1-CA 3.39Å; T129-G146 PolarHBondContact OG1-N 2.86Å; T129-G146 PolarHBondContact OG1-O 2.81Å; G146-H154 WeakPolarHBondContact CA-O 3.32Å
147H92.3Very high89.3Confident18 Ų1842 Ų428%0.08320%0.197CC..EExtended strand (participates in β ladder)trans-101.1129.1173.3-63160.9000109I145 G153 H154 F184 W188I145-H147 WeakPolarHBondContact CG2-NE2 3.33Å; H147-G153 CarbonylContact O-C 3.58Å; H147-G153 WeakPolarHBondContact O-CA 3.32Å; H147-H154 PolarHBondContact N-O 3.43Å; H147-H154 PolarHBondContact O-N 3.03Å; H147-F184 HydrophobicContact CB-CE1 4.03Å; H147-F184 HydrophobicContact CB-CZ 4.33Å; H147-W188 HydrophobicContact CB-CD2 3.75Å; H147-W188 VanDerWaalsContact CB-CE2 3.47Å; H147-W188 HydrophobicContact CB-CE3 4.39Å; H147-W188 HydrophobicContact CB-CG 4Å; H147-W188 HydrophobicContact CB-CH2 4.49Å; H147-W188 HydrophobicContact CB-CZ2 3.85Å; H147-W188 AromaticContact CD2-CD1 3.97Å; H147-W188 AromaticContact CD2-CE2 3.53Å; H147-W188 AromaticContact CD2-CZ2 3.74Å; H147-W188 AromaticContact CD2-NE1 3.1Å; H147-W188 PolarHBondContact CD2-NE1 2.74Å; H147-W188 AromaticContact CE1-CD1 3.76Å; H147-W188 AromaticContact CE1-NE1 3.52Å; H147-W188 AromaticContact CG-CD1 3.52Å; H147-W188 AromaticContact CG-CE2 3.47Å; H147-W188 VanDerWaalsContact CG-CE2 3.47Å; H147-W188 AromaticContact CG-CZ2 3.98Å; H147-W188 AromaticContact CG-NE1 3.07Å; H147-W188 AromaticContact ND1-CD1 3.4Å; H147-W188 AromaticContact ND1-NE1 3.36Å; H147-W188 PolarHBondContact ND1-NE1 2.76Å; H147-W188 AromaticContact NE2-NE1 3.37Å; H147-W188 PolarHBondContact NE2-NE1 2.99Å
148H91Very high89.5Confident29 Ų2939.9 Ų39.913%0.13418%0.184CC..EExtended strand (participates in β ladder)trans-137.4125.8-177.3-55.5-94.6000111.5R127 T129 R152 W188R127-H148 HydrophobicContact CB-CB 3.99Å; R127-H148 PolarHBondContact N-O 3.42Å; R127-H148 WeakPolarHBondContact O-CB 3.5Å; R127-H148 PolarHBondContact O-CD2 3.43Å; R127-H148 PolarHBondContact O-N 3.29Å; T129-H148 PolarHBondContact OG1-NE2 3.45Å; H148-R152 CarbonylContact C-O 3.59Å; H148-R152 VanDerWaalsContact CA-O 3.3Å; H148-R152 WeakPolarHBondContact CA-O 3.47Å; H148-W188 VanDerWaalsContact C-CZ3 3.49Å; H148-W188 WeakPolarHBondContact O-CZ3 3.33Å
149I91Very high89.8Confident6 Ų638.6 Ų38.63%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-113109.3169.5-57.5175.6000107.1D151 R152 F184 E187 W188I149-D151 PolarHBondContact O-N 3.48Å; I149-R152 PolarHBondContact N-O 2.82Å; I149-R152 PolarHBondContact O-N 2.69Å; I149-F184 HydrophobicContact CB-CE2 3.87Å; I149-F184 HydrophobicContact CD1-CD2 4.08Å; I149-F184 HydrophobicContact CD1-CE2 3.75Å; I149-F184 HydrophobicContact CD1-CZ 4.34Å; I149-F184 HydrophobicContact CG1-CD2 4.48Å; I149-F184 HydrophobicContact CG1-CE2 3.67Å; I149-F184 HydrophobicContact CG1-CZ 4.08Å; I149-E187 HydrophobicContact CD1-CB 4.17Å; I149-E187 HydrophobicContact CD1-CG 3.84Å; I149-W188 HydrophobicContact CD1-CB 4.25Å; I149-W188 HydrophobicContact CD1-CE3 3.99Å; I149-W188 HydrophobicContact CG1-CE3 3.39Å; I149-W188 HydrophobicContact CG1-CZ3 3.84Å
150W89.1Confident90Very high184 Ų18443.4 Ų43.470%0.69719%0.192SC*.THydrogen-bonded Turntrans54.7-109.5-175.6-63.1106000111.5G124 G125G124-W150 PolarHBondContact O-NE1 3.18Å; G124-W150 VanDerWaalsContact O-NE1 3.07Å; G125-W150 PolarHBondContact O-N 2.78Å
151D89.8Confident90.1Very high105 Ų10542.8 Ų42.856%0.56119%0.189SC*.THydrogen-bonded Turntrans-95.4-17.4-179.861.6-28.2000113.7I149 N175I149-D151 PolarHBondContact O-N 3.48Å; D151-N175 PolarHBondContact O-ND2 3.45Å
152R93.1Very high89.8Confident69 Ų6947.3 Ų47.326%0.2620%0.204SC..EExtended strand (participates in β ladder)trans-85.4140.7177.6-60.9-178-64.7159.54.6110.4H148 I149 I174 L176 F184 E187H148-R152 CarbonylContact C-O 3.59Å; H148-R152 VanDerWaalsContact CA-O 3.3Å; H148-R152 WeakPolarHBondContact CA-O 3.47Å; I149-R152 PolarHBondContact N-O 2.82Å; I149-R152 PolarHBondContact O-N 2.69Å; R152-I174 WeakPolarHBondContact CA-O 3.15Å; R152-L176 HydrophobicContact CB-CD1 4.46Å; R152-L176 HydrophobicContact CG-CD1 4.45Å; R152-F184 HydrophobicContact CB-CD2 4.15Å; R152-F184 HydrophobicContact CB-CE2 3.92Å; R152-E187 IonicContact CZ-OE2 3.5Å; R152-E187 IonicContact NH1-OE2 3.33Å; R152-E187 PolarHBondContact NH1-OE2 2.84Å; R152-E187 IonicContact NH2-OE1 2.88Å; R152-E187 PolarHBondContact NH2-OE1 2.97Å; R152-E187 IonicContact NH2-OE2 2.79Å; R152-E187 PolarHBondContact NH2-OE2 3.11Å
153G91.4Very high89.6Confident0 Ų050.3 Ų50.30%022%0.221CC..EExtended strand (participates in β ladder)trans-154.5156.4175.400000114.9H147 I174H147-G153 CarbonylContact O-C 3.58Å; H147-G153 WeakPolarHBondContact O-CA 3.32Å; G153-I174 PolarHBondContact N-O 2.79Å; G153-I174 PolarHBondContact O-N 3.28Å
154H91.9Very high89.4Confident1 Ų153.1 Ų53.11%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-130118.4175.1178.3-163000108.2G146 H147 M156 Q171 Y173 F184 D185G146-H154 WeakPolarHBondContact CA-O 3.32Å; H147-H154 PolarHBondContact N-O 3.43Å; H147-H154 PolarHBondContact O-N 3.03Å; H154-M156 WeakPolarHBondContact NE2-CG 3.38Å; H154-Q171 PolarHBondContact NE2-OE1 2.78Å; H154-Y173 HydrophobicContact CB-CD1 4.26Å; H154-Y173 HydrophobicContact CB-CE1 4.4Å; H154-Y173 AromaticContact CD2-CD1 3.71Å; H154-Y173 AromaticContact CD2-CE1 3.32Å; H154-Y173 WeakPolarHBondContact CD2-CE1 3.31Å; H154-Y173 AromaticContact CE1-CE1 3.93Å; H154-Y173 AromaticContact CG-CE1 3.71Å; H154-Y173 AromaticContact NE2-CE1 3.51Å; H154-Y173 AromaticContact NE2-CZ 3.92Å; H154-F184 HydrophobicContact CB-CD1 3.88Å; H154-F184 HydrophobicContact CB-CE1 3.57Å; H154-D185 IonicContact CE1-OD1 3.81Å; H154-D185 IonicContact CE1-OD2 3.64Å; H154-D185 IonicContact CG-OD1 3.91Å; H154-D185 IonicContact ND1-OD1 2.9Å; H154-D185 PolarHBondContact ND1-OD1 2.88Å; H154-D185 IonicContact ND1-OD2 3.47Å; H154-D185 PolarHBondContact ND1-OD2 3.01Å
155V90.6Very high89.3Confident26 Ų2655.1 Ų55.116%0.15826%0.26CS..EExtended strand (participates in β ladder)trans-112.4119.2179.3-173.70000109.5I145 Q171 D172 I174I145-V155 CarbonylContact O-C 3.51Å; I145-V155 WeakPolarHBondContact O-CA 3.28Å; V155-Q171 CarbonylContact O-C 3.58Å; V155-Q171 WeakPolarHBondContact O-CA 3.45Å; V155-D172 HydrophobicContact CB-CB 4.42Å; V155-D172 PolarHBondContact N-O 2.81Å; V155-D172 PolarHBondContact O-N 2.87Å; V155-I174 HydrophobicContact CG2-CD1 4Å
156M91.4Very high89.3Confident26 Ų2659 Ų5913%0.12828%0.281CS..EExtended strand (participates in β ladder)trans-106.3123.8176.2-66172.4-79.600109.4A144 I145 H154 Q171A144-M156 CarbonylContact C-O 3.45Å; A144-M156 WeakPolarHBondContact CA-O 3.47Å; I145-M156 PolarHBondContact N-O 2.93Å; I145-M156 PolarHBondContact O-N 2.77Å; H154-M156 WeakPolarHBondContact NE2-CG 3.38Å; M156-Q171 HydrophobicContact CG-CG 4.25Å
157E89.3Confident89.2Confident35 Ų3567.5 Ų67.516%0.16431%0.313CS..EExtended strand (participates in β ladder)trans-117.4134.5174.7179.1173.2113.600110.4R142 L143 A144 E169 R170R142-E157 HydrophobicContact CG-CG 4.39Å; R142-E157 IonicContact CZ-OE1 2.99Å; R142-E157 IonicContact CZ-OE2 3.19Å; R142-E157 IonicContact NE-OE1 3.17Å; R142-E157 PolarHBondContact NE-OE1 2.95Å; R142-E157 VanDerWaalsContact NE-OE1 3.17Å; R142-E157 IonicContact NE-OE2 3.06Å; R142-E157 PolarHBondContact NE-OE2 2.9Å; R142-E157 IonicContact NH1-OE1 3.93Å; R142-E157 IonicContact NH2-OE1 2.65Å; R142-E157 PolarHBondContact NH2-OE1 2.8Å; R142-E157 IonicContact NH2-OE2 2.61Å; R142-E157 PolarHBondContact NH2-OE2 2.85Å; L143-E157 CarbonylContact O-C 3.52Å; L143-E157 WeakPolarHBondContact O-CA 3.1Å; A144-E157 HydrophobicContact CB-CB 4.49Å; E157-E169 CarbonylContact O-C 3.53Å; E157-E169 WeakPolarHBondContact O-CA 3.28Å; E157-R170 HydrophobicContact CB-CB 4.34Å; E157-R170 PolarHBondContact N-O 2.88Å; E157-R170 PolarHBondContact O-N 3.03Å
158R88.2Confident89.2Confident74 Ų7473.1 Ų73.128%0.27934%0.339SS..EExtended strand (participates in β ladder)trans-131127.3175.7-60.5-171172.51502.3109.1R142 L143 E168 E169R142-R158 CarbonylContact C-O 3.49Å; R142-R158 WeakPolarHBondContact CA-O 3.45Å; L143-R158 PolarHBondContact N-O 3.11Å; L143-R158 PolarHBondContact O-N 3.18Å; R158-E168 CarbonylContact C-O 3.59Å; R158-E168 WeakPolarHBondContact CA-O 3.38Å; R158-E169 HydrophobicContact CG-CB 4.42Å; R158-E169 HydrophobicContact CG-CG 3.95Å; R158-E169 IonicContact CZ-OE2 3.29Å; R158-E169 IonicContact NE-OE1 2.72Å; R158-E169 IonicContact NE-OE2 3.85Å; R158-E169 PolarHBondContact NE-OE2 3.33Å; R158-E169 IonicContact NH2-OE2 3.59Å
159S88Confident89.1Confident19 Ų1977.6 Ų77.613%0.13336%0.36CS..EExtended strand (participates in β ladder)trans-119.8145.5173.7890000109.8E141 R167 E168E141-S159 CarbonylContact O-C 3.48Å; E141-S159 WeakPolarHBondContact O-CA 3.11Å; S159-R167 WeakPolarHBondContact O-CA 3Å; S159-E168 PolarHBondContact N-O 2.99Å; S159-E168 PolarHBondContact O-N 3.34Å; S159-E168 WeakPolarHBondContact OG-CB 2.93Å; S159-E168 PolarHBondContact OG-OE2 3.04Å
160R88.8Confident89.1Confident104 Ų10484.2 Ų84.239%0.39239%0.385SS..EExtended strand (participates in β ladder)trans-141131.9176.6176.4180179.4-170.60.5109.1E141 D166 R167E141-R160 PolarHBondContact N-O 3.38Å; E141-R160 PolarHBondContact O-N 3.27Å; R160-D166 CarbonylContact C-O 3.52Å; R160-D166 WeakPolarHBondContact CA-O 3.32Å; R160-R167 HydrophobicContact CB-CG 4.43Å; R160-R167 HydrophobicContact CG-CG 4.13Å
161N88.1Confident89.2Confident37 Ų3780.5 Ų80.520%0.19838%0.375CS..EExtended strand (participates in β ladder)trans-99.2119.8169.3-168.5-39.4000109.8H163 T164 G165 D166N161-H163 VanDerWaalsContact C-N 3.31Å; N161-H163 WeakPolarHBondContact OD1-CA 3.4Å; N161-H163 WeakPolarHBondContact OD1-CB 3.32Å; N161-H163 PolarHBondContact OD1-N 3.14Å; N161-T164 VanDerWaalsContact CB-OG1 3.31Å; N161-T164 WeakPolarHBondContact CB-OG1 3.39Å; N161-T164 PolarHBondContact OD1-N 3.33Å; N161-G165 CarbonylContact O-C 3.57Å; N161-G165 WeakPolarHBondContact O-CA 3.34Å; N161-G165 PolarHBondContact O-N 3.37Å; N161-D166 HydrophobicContact CB-CB 4.5Å; N161-D166 PolarHBondContact N-O 2.58Å
162R82.9Confident89.2Confident149 Ų14978.1 Ų78.156%0.56236%0.363SS*.THydrogen-bonded Turntrans-72.7-22.8178.2-75.1-169.667.3-132.41.5113.4G139 E141G139-R162 PolarHBondContact O-N 3.35Å; E141-R162 WeakPolarHBondContact OE1-CD 3.38Å
163H83.9Confident89.1Confident127 Ų12778.3 Ų78.359%0.58836%0.364SS*.THydrogen-bonded Turntrans-84.2-47.1-179.1-62.1-39.3000112S138 G139 N161S138-H163 PolarHBondContact O-CD2 3.22Å; G139-H163 WeakPolarHBondContact CA-NE2 3.44Å; G139-H163 PolarHBondContact N-NE2 3.36Å; N161-H163 VanDerWaalsContact C-N 3.31Å; N161-H163 WeakPolarHBondContact OD1-CA 3.4Å; N161-H163 WeakPolarHBondContact OD1-CB 3.32Å; N161-H163 PolarHBondContact OD1-N 3.14Å
164T86.7Confident89Confident86 Ų8681.3 Ų81.353%0.52838%0.379SS..THydrogen-bonded Turntrans-88.1-23.5179.862.80000112.7N161 D166N161-T164 VanDerWaalsContact CB-OG1 3.31Å; N161-T164 WeakPolarHBondContact CB-OG1 3.39Å; N161-T164 PolarHBondContact OD1-N 3.33Å; T164-D166 VanDerWaalsContact C-N 3.27Å; T164-D166 WeakPolarHBondContact CB-OD2 3.3Å; T164-D166 PolarHBondContact OG1-N 2.97Å; T164-D166 PolarHBondContact OG1-OD2 2.67Å
165G86.8Confident88.8Confident45 Ų4587 Ų8746%0.46441%0.409SS..  trans85.1-2.1-174.800000113.9N161N161-G165 CarbonylContact O-C 3.57Å; N161-G165 WeakPolarHBondContact O-CA 3.34Å; N161-G165 PolarHBondContact O-N 3.37Å
166D89.1Confident88.8Confident100 Ų10086.7 Ų86.754%0.53541%0.407SS..  trans-63.1143.5-179-59.9-37.8000111.2R160 N161 T164R160-D166 CarbonylContact C-O 3.52Å; R160-D166 WeakPolarHBondContact CA-O 3.32Å; N161-D166 HydrophobicContact CB-CB 4.5Å; N161-D166 PolarHBondContact N-O 2.58Å; T164-D166 VanDerWaalsContact C-N 3.27Å; T164-D166 WeakPolarHBondContact CB-OD2 3.3Å; T164-D166 PolarHBondContact OG1-N 2.97Å; T164-D166 PolarHBondContact OG1-OD2 2.67Å
167R90.8Very high88.7Confident178 Ų17891.5 Ų91.567%0.67243%0.429SS*.EExtended strand (participates in β ladder)trans-134.1130.6177.4-61.9-178.9-171.2-1781.7108.5S159 R160S159-R167 WeakPolarHBondContact O-CA 3Å; R160-R167 HydrophobicContact CB-CG 4.43Å; R160-R167 HydrophobicContact CG-CG 4.13Å
168E90.6Very high88.6Confident135 Ų13597.3 Ų97.363%0.63146%0.456SS*.EExtended strand (participates in β ladder)trans-125138.1175.6-55.4177.6160.900108.7R158 S159R158-E168 CarbonylContact C-O 3.59Å; R158-E168 WeakPolarHBondContact CA-O 3.38Å; S159-E168 PolarHBondContact N-O 2.99Å; S159-E168 PolarHBondContact O-N 3.34Å; S159-E168 WeakPolarHBondContact OG-CB 2.93Å; S159-E168 PolarHBondContact OG-OE2 3.04Å
169E90.8Very high88.7Confident124 Ų12498.4 Ų98.458%0.57948%0.475SS*.EExtended strand (participates in β ladder)trans-127.7135.3173.9-57.3-163.7-178.700108.5E157 R158E157-E169 CarbonylContact O-C 3.53Å; E157-E169 WeakPolarHBondContact O-CA 3.28Å; R158-E169 HydrophobicContact CG-CB 4.42Å; R158-E169 HydrophobicContact CG-CG 3.95Å; R158-E169 IonicContact CZ-OE2 3.29Å; R158-E169 IonicContact NE-OE1 2.72Å; R158-E169 IonicContact NE-OE2 3.85Å; R158-E169 PolarHBondContact NE-OE2 3.33Å; R158-E169 IonicContact NH2-OE2 3.59Å
170R90Very high88.7Confident144 Ų144102 Ų10254%0.54349%0.49SS..EExtended strand (participates in β ladder)trans-133.4138.1179.4179.2176.3173.6-174.5-5.4109.2E157 D172E157-R170 HydrophobicContact CB-CB 4.34Å; E157-R170 PolarHBondContact N-O 2.88Å; E157-R170 PolarHBondContact O-N 3.03Å; R170-D172 IonicContact CZ-OD1 3.32Å; R170-D172 VanDerWaalsContact CZ-OD1 3.32Å; R170-D172 IonicContact CZ-OD2 3.34Å; R170-D172 IonicContact NE-OD1 2.87Å; R170-D172 PolarHBondContact NE-OD1 2.78Å; R170-D172 IonicContact NE-OD2 3.14Å; R170-D172 PolarHBondContact NE-OD2 2.79Å; R170-D172 VanDerWaalsContact NE-OD2 3.14Å; R170-D172 IonicContact NH2-OD1 2.9Å; R170-D172 PolarHBondContact NH2-OD1 2.83Å; R170-D172 IonicContact NH2-OD2 3.2Å; R170-D172 PolarHBondContact NH2-OD2 3.1Å
171Q91.6Very high88.7Confident106 Ų10697.4 Ų97.450%0.49547%0.474SS..EExtended strand (participates in β ladder)trans-125126.6175.7-64.2-179.366.800107.8H154 V155 M156 Y173H154-Q171 PolarHBondContact NE2-OE1 2.78Å; V155-Q171 CarbonylContact O-C 3.58Å; V155-Q171 WeakPolarHBondContact O-CA 3.45Å; M156-Q171 HydrophobicContact CG-CG 4.25Å; Q171-Y173 PolarHBondContact OE1-OH 2.97Å
172D89.9Confident88.7Confident56 Ų5699.2 Ų99.230%0.29949%0.494SS..EExtended strand (participates in β ladder)trans-120.1131.9177.7-64.2-43.9000109V155 R170V155-D172 HydrophobicContact CB-CB 4.42Å; V155-D172 PolarHBondContact N-O 2.81Å; V155-D172 PolarHBondContact O-N 2.87Å; R170-D172 IonicContact CZ-OD1 3.32Å; R170-D172 VanDerWaalsContact CZ-OD1 3.32Å; R170-D172 IonicContact CZ-OD2 3.34Å; R170-D172 IonicContact NE-OD1 2.87Å; R170-D172 PolarHBondContact NE-OD1 2.78Å; R170-D172 IonicContact NE-OD2 3.14Å; R170-D172 PolarHBondContact NE-OD2 2.79Å; R170-D172 VanDerWaalsContact NE-OD2 3.14Å; R170-D172 IonicContact NH2-OD1 2.9Å; R170-D172 PolarHBondContact NH2-OD1 2.83Å; R170-D172 IonicContact NH2-OD2 3.2Å; R170-D172 PolarHBondContact NH2-OD2 3.1Å
173Y89.6Confident89.2Confident73 Ų7395.2 Ų95.229%0.28649%0.493SS..EExtended strand (participates in β ladder)trans-107.5134.4176.7-57.3-73.2000109.9H154 Q171 L176 E178 A181H154-Y173 HydrophobicContact CB-CD1 4.26Å; H154-Y173 HydrophobicContact CB-CE1 4.4Å; H154-Y173 AromaticContact CD2-CD1 3.71Å; H154-Y173 AromaticContact CD2-CE1 3.32Å; H154-Y173 WeakPolarHBondContact CD2-CE1 3.31Å; H154-Y173 AromaticContact CE1-CE1 3.93Å; H154-Y173 AromaticContact CG-CE1 3.71Å; H154-Y173 AromaticContact NE2-CE1 3.51Å; H154-Y173 AromaticContact NE2-CZ 3.92Å; Q171-Y173 PolarHBondContact OE1-OH 2.97Å; Y173-L176 HydrophobicContact CD1-CD2 4.02Å; Y173-E178 HydrophobicContact CE2-CB 4.42Å; Y173-E178 HydrophobicContact CE2-CG 4.18Å; Y173-A181 HydrophobicContact CD1-CB 4.03Å; Y173-A181 HydrophobicContact CE1-CB 3.32Å
174I89.9Confident89.6Confident63 Ų6389.2 Ų89.232%0.32347%0.465SS..EExtended strand (participates in β ladder)trans-116.9120.1-178.2-58.5169.5000107.7R152 G153 V155 L176R152-I174 WeakPolarHBondContact CA-O 3.15Å; G153-I174 PolarHBondContact N-O 2.79Å; G153-I174 PolarHBondContact O-N 3.28Å; V155-I174 HydrophobicContact CG2-CD1 4Å; I174-L176 PolarHBondContact O-N 2.97Å; I174-L176 VanDerWaalsContact O-N 3.11Å
175N88.9Confident89.6Confident120 Ų12087 Ų8764%0.64245%0.45SS*.SBendtrans50.732.6-178.1-56.4-40.5000113.3D151D151-N175 PolarHBondContact O-ND2 3.45Å
176L90.4Very high89.8Confident20 Ų2091.4 Ų91.411%0.10546%0.458CS..SBendtrans-143.3140.1-178-169.887.5000108.3R152 Y173 I174 E180 A181 F184R152-L176 HydrophobicContact CB-CD1 4.46Å; R152-L176 HydrophobicContact CG-CD1 4.45Å; Y173-L176 HydrophobicContact CD1-CD2 4.02Å; I174-L176 PolarHBondContact O-N 2.97Å; I174-L176 VanDerWaalsContact O-N 3.11Å; L176-E180 HydrophobicContact CD1-CB 3.79Å; L176-E180 HydrophobicContact CG-CB 3.97Å; L176-A181 HydrophobicContact CD2-CB 4.34Å; L176-F184 HydrophobicContact CD1-CB 4.01Å; L176-F184 HydrophobicContact CD1-CD2 4.31Å; L176-F184 HydrophobicContact CD1-CG 4.38Å; L176-F184 HydrophobicContact CD2-CB 3.73Å; L176-F184 HydrophobicContact CD2-CD1 4.39Å; L176-F184 HydrophobicContact CD2-CG 3.97Å
177E89.3Confident89.9Confident127 Ų12790 Ų9059%0.59345%0.449SS*.  trans-82.5153171.7-62.7-172.8172.700111.6S179 E180 A181E177-S179 PolarHBondContact O-N 3.46Å; E177-E180 HydrophobicContact CB-CG 4.28Å; E177-E180 PolarHBondContact N-OE2 3.09Å; E177-E180 PolarHBondContact O-N 2.8Å; E177-A181 PolarHBondContact O-N 2.63Å
178E86.9Confident89.8Confident156 Ų15682 Ų8273%0.72942%0.419SS*.G310 helixtrans-59-33.4177.7-173.9178.3-170.800112.1Y173 E180 A181Y173-E178 HydrophobicContact CE2-CB 4.42Å; Y173-E178 HydrophobicContact CE2-CG 4.18Å; E178-E180 VanDerWaalsContact C-N 3.26Å; E178-E180 PolarHBondContact O-N 3.22Å; E178-A181 WeakPolarHBondContact O-CB 3.43Å; E178-A181 PolarHBondContact O-N 3.12Å
179S89.4Confident89.6Confident98 Ų9882.4 Ų82.469%0.68541%0.414SS*.G310 helixtrans-66-26.5174.242.30000113.7E177E177-S179 PolarHBondContact O-N 3.46Å
180E89.5Confident89.4Confident95 Ų9580 Ų8044%0.44441%0.411SS..G310 helixtrans-90.8-12.5-179.9-60.3-177.6125.300112.4L176 E177 E178 A182 A183 F184L176-E180 HydrophobicContact CD1-CB 3.79Å; L176-E180 HydrophobicContact CG-CB 3.97Å; E177-E180 HydrophobicContact CB-CG 4.28Å; E177-E180 PolarHBondContact N-OE2 3.09Å; E177-E180 PolarHBondContact O-N 2.8Å; E178-E180 VanDerWaalsContact C-N 3.26Å; E178-E180 PolarHBondContact O-N 3.22Å; E180-A182 VanDerWaalsContact C-N 3.32Å; E180-A182 PolarHBondContact O-N 3.23Å; E180-A183 PolarHBondContact O-N 3.26Å; E180-A183 VanDerWaalsContact O-N 3.09Å; E180-F184 PolarHBondContact O-N 2.87Å
181A88.1Confident89.1Confident6 Ų675 Ų755%0.0540%0.397CS..Hα-helixtrans-49.7-47.7-179.700000113.4Y173 L176 E177 E178 A183 F184 D185Y173-A181 HydrophobicContact CD1-CB 4.03Å; Y173-A181 HydrophobicContact CE1-CB 3.32Å; L176-A181 HydrophobicContact CD2-CB 4.34Å; E177-A181 PolarHBondContact O-N 2.63Å; E178-A181 WeakPolarHBondContact O-CB 3.43Å; E178-A181 PolarHBondContact O-N 3.12Å; A181-A183 PolarHBondContact O-N 2.83Å; A181-F184 PolarHBondContact O-N 2.7Å; A181-D185 PolarHBondContact O-N 2.81Å
182A88.8Confident88.5Confident75 Ų7570.3 Ų70.362%0.6238%0.376SS*.Hα-helixtrans-65.1-38.5-178.600000112.7E180 E186E180-A182 VanDerWaalsContact C-N 3.32Å; E180-A182 PolarHBondContact O-N 3.23Å; A182-E186 PolarHBondContact O-N 2.97Å
183A91.6Very high87.8Confident65 Ų6570.3 Ų70.354%0.53739%0.39SS..Hα-helixtrans-69.9-41.7176.900000111.1E180 A181 D185 E186 E187E180-A183 PolarHBondContact O-N 3.26Å; E180-A183 VanDerWaalsContact O-N 3.09Å; A181-A183 PolarHBondContact O-N 2.83Å; A183-D185 PolarHBondContact O-N 3.25Å; A183-E186 PolarHBondContact O-N 2.9Å; A183-E187 WeakPolarHBondContact O-CB 3.48Å; A183-E187 PolarHBondContact O-N 2.93Å
184F92.1Very high87.2Confident1 Ų175.6 Ų75.60%0.00441%0.409CS..Hα-helixtrans-59.4-44.9173.8172.7-90.2000111.9H147 I149 R152 H154 L176 E180 A181 E186 E187 W188H147-F184 HydrophobicContact CB-CE1 4.03Å; H147-F184 HydrophobicContact CB-CZ 4.33Å; I149-F184 HydrophobicContact CB-CE2 3.87Å; I149-F184 HydrophobicContact CD1-CD2 4.08Å; I149-F184 HydrophobicContact CD1-CE2 3.75Å; I149-F184 HydrophobicContact CD1-CZ 4.34Å; I149-F184 HydrophobicContact CG1-CD2 4.48Å; I149-F184 HydrophobicContact CG1-CE2 3.67Å; I149-F184 HydrophobicContact CG1-CZ 4.08Å; R152-F184 HydrophobicContact CB-CD2 4.15Å; R152-F184 HydrophobicContact CB-CE2 3.92Å; H154-F184 HydrophobicContact CB-CD1 3.88Å; H154-F184 HydrophobicContact CB-CE1 3.57Å; L176-F184 HydrophobicContact CD1-CB 4.01Å; L176-F184 HydrophobicContact CD1-CD2 4.31Å; L176-F184 HydrophobicContact CD1-CG 4.38Å; L176-F184 HydrophobicContact CD2-CB 3.73Å; L176-F184 HydrophobicContact CD2-CD1 4.39Å; L176-F184 HydrophobicContact CD2-CG 3.97Å; E180-F184 PolarHBondContact O-N 2.87Å; A181-F184 PolarHBondContact O-N 2.7Å; F184-E186 VanDerWaalsContact C-N 3.29Å; F184-E186 PolarHBondContact O-N 3.15Å; F184-E187 PolarHBondContact O-N 3.05Å; F184-W188 HydrophobicContact CE1-CB 4.37Å; F184-W188 VanDerWaalsContact O-CB 3.24Å; F184-W188 WeakPolarHBondContact O-CB 3.38Å; F184-W188 PolarHBondContact O-N 2.81Å
185D88.8Confident86.4Confident41 Ų4175.2 Ų75.222%0.21940%0.404CS..Hα-helixtrans-66-31.6-179.4-76.5-22.2000112.6H154 A181 A183 R189H154-D185 IonicContact CE1-OD1 3.81Å; H154-D185 IonicContact CE1-OD2 3.64Å; H154-D185 IonicContact CG-OD1 3.91Å; H154-D185 IonicContact ND1-OD1 2.9Å; H154-D185 PolarHBondContact ND1-OD1 2.88Å; H154-D185 IonicContact ND1-OD2 3.47Å; H154-D185 PolarHBondContact ND1-OD2 3.01Å; A181-D185 PolarHBondContact O-N 2.81Å; A183-D185 PolarHBondContact O-N 3.25Å; D185-R189 WeakPolarHBondContact O-CB 3.25Å; D185-R189 VanDerWaalsContact O-CG 3.28Å; D185-R189 WeakPolarHBondContact O-CG 2.96Å; D185-R189 PolarHBondContact O-N 2.89Å; D185-R189 VanDerWaalsContact O-N 3.1Å; D185-R189 PolarHBondContact O-NE 2.69Å; D185-R189 VanDerWaalsContact O-NE 3.07Å
186E90.1Very high85.3Confident136 Ų13671.7 Ų71.764%0.63639%0.388SS*.Hα-helixtrans-70.5-46.9171.4-172.4171.9-88.400111.8A182 A183 F184 W188 R189 S190A182-E186 PolarHBondContact O-N 2.97Å; A183-E186 PolarHBondContact O-N 2.9Å; F184-E186 VanDerWaalsContact C-N 3.29Å; F184-E186 PolarHBondContact O-N 3.15Å; E186-W188 VanDerWaalsContact C-N 3.28Å; E186-W188 PolarHBondContact O-N 3.29Å; E186-R189 PolarHBondContact O-N 2.99Å; E186-S190 WeakPolarHBondContact O-CB 3.42Å; E186-S190 PolarHBondContact O-N 3.41Å
187E91Very high84Confident72 Ų7273 Ų7334%0.33640%0.397SS..Hα-helixtrans-57.8-44.1175.6-171-17215400110.9I149 R152 A183 F184 S190 T191I149-E187 HydrophobicContact CD1-CB 4.17Å; I149-E187 HydrophobicContact CD1-CG 3.84Å; R152-E187 IonicContact CZ-OE2 3.5Å; R152-E187 IonicContact NH1-OE2 3.33Å; R152-E187 PolarHBondContact NH1-OE2 2.84Å; R152-E187 IonicContact NH2-OE1 2.88Å; R152-E187 PolarHBondContact NH2-OE1 2.97Å; R152-E187 IonicContact NH2-OE2 2.79Å; R152-E187 PolarHBondContact NH2-OE2 3.11Å; A183-E187 WeakPolarHBondContact O-CB 3.48Å; A183-E187 PolarHBondContact O-N 2.93Å; F184-E187 PolarHBondContact O-N 3.05Å; E187-S190 PolarHBondContact O-N 2.83Å; E187-T191 WeakPolarHBondContact O-CB 3.33Å; E187-T191 PolarHBondContact O-N 2.8Å; E187-T191 PolarHBondContact O-OG1 3.47Å
188W89.4Confident82.5Confident9 Ų970.2 Ų70.23%0.03439%0.39CS..Hα-helixtrans-59.9-52.5177178.3-108.7000111.3I126 R127 E128 H147 H148 I149 F184 E186 S190 T191 A192I126-W188 HydrophobicContact CB-CH2 4.43Å; I126-W188 HydrophobicContact CB-CZ3 4.12Å; I126-W188 HydrophobicContact CG1-CZ3 4.49Å; I126-W188 HydrophobicContact CG2-CE3 4.4Å; I126-W188 HydrophobicContact CG2-CH2 3.42Å; I126-W188 VanDerWaalsContact CG2-CH2 3.42Å; I126-W188 HydrophobicContact CG2-CZ2 4.35Å; I126-W188 HydrophobicContact CG2-CZ3 3.45Å; I126-W188 VanDerWaalsContact CG2-CZ3 3.45Å; R127-W188 VanDerWaalsContact C-CH2 3.44Å; R127-W188 WeakPolarHBondContact O-CH2 3.44Å; E128-W188 HydrophobicContact CB-CH2 4.26Å; E128-W188 HydrophobicContact CB-CZ2 3.83Å; E128-W188 HydrophobicContact CG-CZ2 4.25Å; H147-W188 HydrophobicContact CB-CD2 3.75Å; H147-W188 VanDerWaalsContact CB-CE2 3.47Å; H147-W188 HydrophobicContact CB-CE3 4.39Å; H147-W188 HydrophobicContact CB-CG 4Å; H147-W188 HydrophobicContact CB-CH2 4.49Å; H147-W188 HydrophobicContact CB-CZ2 3.85Å; H147-W188 AromaticContact CD2-CD1 3.97Å; H147-W188 AromaticContact CD2-CE2 3.53Å; H147-W188 AromaticContact CD2-CZ2 3.74Å; H147-W188 AromaticContact CD2-NE1 3.1Å; H147-W188 PolarHBondContact CD2-NE1 2.74Å; H147-W188 AromaticContact CE1-CD1 3.76Å; H147-W188 AromaticContact CE1-NE1 3.52Å; H147-W188 AromaticContact CG-CD1 3.52Å; H147-W188 AromaticContact CG-CE2 3.47Å; H147-W188 VanDerWaalsContact CG-CE2 3.47Å; H147-W188 AromaticContact CG-CZ2 3.98Å; H147-W188 AromaticContact CG-NE1 3.07Å; H147-W188 AromaticContact ND1-CD1 3.4Å; H147-W188 AromaticContact ND1-NE1 3.36Å; H147-W188 PolarHBondContact ND1-NE1 2.76Å; H147-W188 AromaticContact NE2-NE1 3.37Å; H147-W188 PolarHBondContact NE2-NE1 2.99Å; H148-W188 VanDerWaalsContact C-CZ3 3.49Å; H148-W188 WeakPolarHBondContact O-CZ3 3.33Å; I149-W188 HydrophobicContact CD1-CB 4.25Å; I149-W188 HydrophobicContact CD1-CE3 3.99Å; I149-W188 HydrophobicContact CG1-CE3 3.39Å; I149-W188 HydrophobicContact CG1-CZ3 3.84Å; F184-W188 HydrophobicContact CE1-CB 4.37Å; F184-W188 VanDerWaalsContact O-CB 3.24Å; F184-W188 WeakPolarHBondContact O-CB 3.38Å; F184-W188 PolarHBondContact O-N 2.81Å; E186-W188 VanDerWaalsContact C-N 3.28Å; E186-W188 PolarHBondContact O-N 3.29Å; W188-S190 VanDerWaalsContact C-N 3.31Å; W188-S190 PolarHBondContact O-N 2.91Å; W188-T191 PolarHBondContact O-N 2.89Å; W188-A192 HydrophobicContact CD2-CB 4.29Å; W188-A192 HydrophobicContact CZ2-CB 4.37Å; W188-A192 WeakPolarHBondContact O-CA 3.38Å; W188-A192 WeakPolarHBondContact O-CB 3.43Å; W188-A192 PolarHBondContact O-N 3.28Å
189R86.4Confident80.8Confident143 Ų14366.5 Ų66.554%0.5438%0.376SS..Hα-helixtrans-61.8-40.1179.7-77-179.8-67.9170.12112.1D185 E186 G193D185-R189 WeakPolarHBondContact O-CB 3.25Å; D185-R189 VanDerWaalsContact O-CG 3.28Å; D185-R189 WeakPolarHBondContact O-CG 2.96Å; D185-R189 PolarHBondContact O-N 2.89Å; D185-R189 VanDerWaalsContact O-N 3.1Å; D185-R189 PolarHBondContact O-NE 2.69Å; D185-R189 VanDerWaalsContact O-NE 3.07Å; E186-R189 PolarHBondContact O-N 2.99Å; R189-G193 WeakPolarHBondContact O-CA 3.49Å; R189-G193 PolarHBondContact O-N 2.81Å
190S86.1Confident79Confident74 Ų7464.9 Ų64.952%0.51737%0.368SS..Hα-helixtrans-63.6-43.3177.3179.70000112.1E186 E187 W188E186-S190 WeakPolarHBondContact O-CB 3.42Å; E186-S190 PolarHBondContact O-N 3.41Å; E187-S190 PolarHBondContact O-N 2.83Å; W188-S190 VanDerWaalsContact C-N 3.31Å; W188-S190 PolarHBondContact O-N 2.91Å
191T82.6Confident76.9Confident39 Ų3969.3 Ų69.324%0.23938%0.381CS..Hα-helixtrans-83.3-45.4-174.2-42.80000111.3I126 E187 W188 G193 R194I126-T191 HydrophobicContact CD1-CG2 3.29Å; I126-T191 HydrophobicContact CG1-CG2 3.93Å; E187-T191 WeakPolarHBondContact O-CB 3.33Å; E187-T191 PolarHBondContact O-N 2.8Å; E187-T191 PolarHBondContact O-OG1 3.47Å; W188-T191 PolarHBondContact O-N 2.89Å; T191-G193 VanDerWaalsContact C-N 3.28Å; T191-G193 PolarHBondContact O-N 2.71Å; T191-R194 WeakPolarHBondContact O-CB 3.05Å; T191-R194 PolarHBondContact O-N 3.4Å
192A80.8Confident74.5Confident8 Ų871.5 Ų71.57%0.06640%0.404CS..Hα-helixtrans-65.7-29.9173.800000112.1I126 W188 R194 Y195I126-A192 HydrophobicContact CG2-CB 4.42Å; W188-A192 HydrophobicContact CD2-CB 4.29Å; W188-A192 HydrophobicContact CZ2-CB 4.37Å; W188-A192 WeakPolarHBondContact O-CA 3.38Å; W188-A192 WeakPolarHBondContact O-CB 3.43Å; W188-A192 PolarHBondContact O-N 3.28Å; A192-R194 PolarHBondContact O-N 2.75Å; A192-Y195 CarbonylContact O-C 3.54Å; A192-Y195 WeakPolarHBondContact O-CA 3.35Å; A192-Y195 PolarHBondContact O-N 3.28Å
193G74.1Confident72.4Confident56 Ų5674.2 Ų74.258%0.57741%0.406SS*.THydrogen-bonded Turntrans-61.4-23.9174.700000114R189 T191 Y195R189-G193 WeakPolarHBondContact O-CA 3.49Å; R189-G193 PolarHBondContact O-N 2.81Å; T191-G193 VanDerWaalsContact C-N 3.28Å; T191-G193 PolarHBondContact O-N 2.71Å; G193-Y195 PolarHBondContact O-N 3.18Å
194R77.6Confident69.7Low184 Ų18477.9 Ų77.969%0.69442%0.417SS*.THydrogen-bonded Turntrans-67.4-19.1171.7-57.7-175.9180-148.3-0.3112.6T191 A192T191-R194 WeakPolarHBondContact O-CB 3.05Å; T191-R194 PolarHBondContact O-N 3.4Å; A192-R194 PolarHBondContact O-N 2.75Å
195Y73.5Confident67.2Low54 Ų5488.1 Ų88.121%0.21246%0.457CS..SBendtrans-129.973-171.2-59.8-47.9000108.1Q92 R120 A122 I126 A192 G193Q92-Y195 HydrophobicContact CG-CD1 4.25Å; Q92-Y195 HydrophobicContact CG-CG 4.41Å; Q92-Y195 VanDerWaalsContact NE2-CG 3.33Å; R120-Y195 PolarHBondContact NH1-O 3.38Å; A122-Y195 HydrophobicContact CB-CD2 3.59Å; A122-Y195 HydrophobicContact CB-CE2 4.04Å; A122-Y195 HydrophobicContact CB-CG 3.95Å; I126-Y195 HydrophobicContact CD1-CD2 3.6Å; I126-Y195 HydrophobicContact CD1-CE2 3.68Å; A192-Y195 CarbonylContact O-C 3.54Å; A192-Y195 WeakPolarHBondContact O-CA 3.35Å; A192-Y195 PolarHBondContact O-N 3.28Å; G193-Y195 PolarHBondContact O-N 3.18Å
196P65.8Low65Low47 Ų4789.6 Ų89.631%0.30548%0.482SS..  trans-63145-177.925.7-33.9000110.5R120 A200R120-P196 VanDerWaalsContact NH1-C 3.29Å; P196-A200 HydrophobicContact CB-CB 4.25Å
197P62.2Low62.4Low46 Ų4693.4 Ų93.430%0.29949%0.49SS..  trans-62151.4176.223.8-30.5000109.5N199 A200P197-N199 PolarHBondContact O-N 3Å; P197-A200 HydrophobicContact CG-CB 3.65Å; P197-A200 WeakPolarHBondContact O-CB 3.47Å; P197-A200 PolarHBondContact O-N 2.8Å
198P57Low59.8Low70 Ų7097 Ų9746%0.45551%0.512SS..G310 helixtrans-53.4-29.7178.415.4-25.4000112.1F94 R201F94-P198 HydrophobicContact CG-CG 4.45Å; P198-R201 PolarHBondContact O-N 3.23Å
199N52.7Low57.3Low78 Ų78107.7 Ų107.742%0.41755%0.552SS.*G310 helixtrans-75.7-21.7-179.9-371.2000113.1A20 P197A20-N199 HydrophobicContact CB-CB 4.49Å; P197-N199 PolarHBondContact O-N 3Å
200A50.1Low55.5Low64 Ų64112.5 Ų112.553%0.52957%0.571SS.*G310 helixtrans-83.2-16.6176.700000112.4P196 P197 G202P196-A200 HydrophobicContact CB-CB 4.25Å; P197-A200 HydrophobicContact CG-CB 3.65Å; P197-A200 WeakPolarHBondContact O-CB 3.47Å; P197-A200 PolarHBondContact O-N 2.8Å; A200-G202 PolarHBondContact O-N 3.48Å
201R46.2Very low53.3Low188 Ų188113.2 Ų113.271%0.70958%0.58SS**SBendtrans-75.982159.1-71.5-166.7173.1139.71.7106.9P198 I203P198-R201 PolarHBondContact O-N 3.23Å; R201-I203 PolarHBondContact O-N 2.85Å
202G37.6Very low51.5Low52 Ų52115.5 Ų115.554%0.53661%0.612SS.*  trans-42115.9152.300000106.4A200 D204A200-G202 PolarHBondContact O-N 3.48Å; G202-D204 PolarHBondContact O-N 2.7Å
203I45.3Very low49.4Very low131 Ų131118.6 Ų118.667%0.67265%0.645SS**  trans-6391.3168.5-64.4-177000104.5R201 Y205R201-I203 PolarHBondContact O-N 2.85Å; I203-Y205 HydrophobicContact CB-CD2 4.37Å; I203-Y205 HydrophobicContact CG2-CD2 2.97Å; I203-Y205 HydrophobicContact CG2-CE2 3.07Å; I203-Y205 HydrophobicContact CG2-CG 3.78Å; I203-Y205 PolarHBondContact O-N 2.83Å
204D34.7Very low47.9Very low142 Ų142124.4 Ų124.476%0.75966%0.657SS**  trans-68.865.5169.6-83.3-56.1000108.3G202 G206G202-D204 PolarHBondContact O-N 2.7Å; D204-G206 PolarHBondContact O-N 3.42Å
205Y39.8Very low46.2Very low217 Ų217125.2 Ų125.285%0.85167%0.669SS**  trans-76.397.5155.7-74.7-56.7000106.7I203I203-Y205 HydrophobicContact CB-CD2 4.37Å; I203-Y205 HydrophobicContact CG2-CD2 2.97Å; I203-Y205 HydrophobicContact CG2-CE2 3.07Å; I203-Y205 HydrophobicContact CG2-CG 3.78Å; I203-Y205 PolarHBondContact O-N 2.83Å
206G41.7Very low44.8Very low71 Ų71130.4 Ų130.473%0.73270%0.699SS**  trans114.839.3160.500000117.3D204D204-G206 PolarHBondContact O-N 3.42Å
207R36Very low43.6Very low216 Ų216132.7 Ų132.782%0.81572%0.722SS**  trans-110.179.6151.9-156166.7-159.2-177.55.1110.1R209R207-R209 VanDerWaalsContact C-N 3.26Å; R207-R209 PolarHBondContact O-N 2.79Å
208D35.9Very low42.6Very low148 Ų148139.1 Ų139.179%0.79175%0.753SS**  trans-46.897.2153.5-87.7-60.1000108.5R210D208-R210 PolarHBondContact O-N 3.34Å
209R38.6Very low41.6Very low233 Ų233140.5 Ų140.588%0.87977%0.77SS**  trans-66.989157.5-72.8-169.9-165.1-179.95.1106.2R207 A211R207-R209 VanDerWaalsContact C-N 3.26Å; R207-R209 PolarHBondContact O-N 2.79Å; R209-A211 PolarHBondContact O-N 3.03Å
210R47.6Very low41.2Very low245 Ų245141 Ų14193%0.92579%0.785SS**  trans-61.385.6154.4-74-175.7-179.4172.40.7108.2D208D208-R210 PolarHBondContact O-N 3.34Å
211A39Very low41.1Very low88 Ų88143.8 Ų143.873%0.72780%0.798SS**SBendtrans-174.7104.4154.300000110.2R209R209-A211 PolarHBondContact O-N 3.03Å
212G45.8Very low41.1Very low88 Ų88140.8 Ų140.891%0.90780%0.803SS**  trans40.6111.8148.800000120.3
213G37.2Very low41.2Very low73 Ų73143.9 Ų143.975%0.75382%0.816SS**  trans-178.385.316500000113.8
214Q42.3Very low40.6Very low177 Ų177143 Ų14383%0.82782%0.822SS**  trans32.8108.1150.7-61.6173.345.400118.3L216Q214-L216 PolarHBondContact O-N 2.65Å; Q214-L216 VanDerWaalsContact O-N 3.11Å
215Q42.2Very low40.6Very low201 Ų201142 Ų14294%0.93983%0.826SS**  trans-59.6109.2160.1-70179.9-13.200109.4A217Q215-A217 PolarHBondContact O-N 3.47Å
216L43.4Very low40.4Very low164 Ų164137.1 Ų137.186%0.85982%0.824SS**  trans-78.6100.7167.3-71.2167.6000108Q214Q214-L216 PolarHBondContact O-N 2.65Å; Q214-L216 VanDerWaalsContact O-N 3.11Å
217A40.3Very low41Very low94 Ų94139.3 Ų139.378%0.77783%0.825SS**  trans-66.6134.9171.400000110.4Q215 A219Q215-A217 PolarHBondContact O-N 3.47Å; A217-A219 PolarHBondContact O-N 3.48Å
218L42.1Very low41.6Very low181 Ų181135 Ų13595%0.94882%0.824SS**  trans-59.1113.1170.7-72.5152.3000109.5
219A35.8Very low41.7Very low99 Ų99132.3 Ų132.382%0.81882%0.823SS**PPolyproline II helixtrans-79.6121.9169.900000109.8A217A217-A219 PolarHBondContact O-N 3.48Å
220A43.8Very low42.1Very low89 Ų89126.4 Ų126.474%0.73682%0.815SS**PPolyproline II helixtrans-73.5153.8171.700000111.5
221P48.7Very low41.6Very low123 Ų123126 Ų12680%0.79981%0.813SS**PPolyproline II helixtrans-71.4161.8-175.728.2-34.6000114.5
222P46.2Very low41.7Very low124 Ų124130.8 Ų130.881%0.80582%0.821SS**PPolyproline II helixtrans-88.4133.3-156.933.3-35.4000117.1
223S38.2Very low41.1Very low118 Ų118134.4 Ų134.483%0.82581%0.814SS**  trans29.5125.2137.3-39.30000122.7
224S33.8Very low41.1Very low113 Ų113136.2 Ų136.279%0.7982%0.815SS**  trans-153.8131.2137.651.70000113.7
225S34.2Very low41.5Very low121 Ų121132.5 Ų132.585%0.84681%0.806SS**  trans76.2116.6161.665.50000121.8
226S35.8Very low41.4Very low114 Ų114133.4 Ų133.480%0.79780%0.801SS**  trans-88.9-174.5157-69.90000111.2
227P54Low41.5Very low117 Ų117134.8 Ų134.876%0.7680%0.803SS**  cis-127.5-154.4-39.932.4-9.8000109.3
228P48.5Very low41.9Very low124 Ų124138.4 Ų138.481%0.80581%0.808SS**  cis-134.3179.8-1.438.2-15.6000117.1
229A38.9Very low42.7Very low92 Ų92135.4 Ų135.476%0.7680%0.799SS**  trans-62.9169.7-176.700000115.2
230P46.4Very low43.5Very low110 Ų110136.6 Ų136.671%0.71480%0.799SS**  -152.6158.87336.5-14.5000118.4
231R38.1Very low43.8Very low235 Ų235136.8 Ų136.889%0.88780%0.8SS**  trans45.2119.5138-58.4171.7-172.4-121.11.7120.1
232H40.4Very low43.8Very low190 Ų190137.5 Ų137.588%0.8880%0.803SS**  -157143.1116.2-142.9-94.8000112.9
233E33.7Very low44.2Very low164 Ų164143 Ų14377%0.76681%0.807SS**  trans-97.5145.3-171.1173.9177.4129.400110.1
234S37.4Very low45.1Very low111 Ų111143.1 Ų143.178%0.77681%0.805SS**  trans169.9154.6141.4-92.30000114.1
235P49.1Very low45.4Very low99 Ų99148.8 Ų148.864%0.64381%0.809SS**  -132.9-175.6-112.132.4-11000114.8
236R40.6Very low46.1Very low219 Ų219153.8 Ų153.883%0.82681%0.811SS**  trans95.8107.3157.5-55.1176.2-175.4173.52.1114.9
237H45.5Very low46.9Very low194 Ų194155.2 Ų155.290%0.89881%0.81SS**  -156.2120.1111.6-91.9-70.4000108.5
238L48.2Very low46.7Very low170 Ų170164.4 Ų164.489%0.8983%0.83SS**PPolyproline II helixtrans-68.3135.6175.1-75.8132.7000110.4
239P58.6Low46.7Very low117 Ų117166.5 Ų166.576%0.7683%0.831SS**PPolyproline II helixtrans-93137.315832.7-28.5000110.6
240P54Low47.1Very low125 Ų125170.4 Ų170.481%0.81284%0.835SS**PPolyproline II helixtrans-83.1120.6167.729.7-28.9000112
241A50Low47.1Very low93 Ų93173.7 Ų173.777%0.76984%0.841SS**  trans48.9113.8135.200000121
242T47.4Very low47.6Very low138 Ų138170.1 Ų170.185%0.84784%0.839SS**  trans-52.6140.4151.446.90000113.6
243R56.5Low48.1Very low239 Ų239168.9 Ų168.990%0.90284%0.836SS**  trans-138147.2144.8-80.2-163.5172.1-159.8-1.5111.4
244P56.6Low49Very low121 Ų121169.2 Ų169.279%0.78684%0.841SS**  trans-89.3162.2-169.911.87.6000113.2
245R39.7Very low49.9Very low231 Ų231173.4 Ų173.487%0.87285%0.845SS**  trans-45.7145.6168.7-79.3-176.8146.4169-6.5113.7
246Y47.8Very low49.9Very low227 Ų227179.1 Ų179.189%0.8986%0.861SS**  trans-124.2132.8149.9-112.7-93.1000108.5
247D52.9Low50.7Low143 Ų143175.8 Ų175.877%0.76586%0.864SS**  trans-76.7136.6166.9-75.2-66.8000110.4
248W51.3Low51.2Low311 Ų311174.1 Ų174.1100%1.17886%0.861SS**  trans-168.20130.956.7-89.5000109.3

Retrieved 248 of 248 residues in 598.2 ms (Link to these results)