A0A077Z645_TRITR Loading...

Adducin protein 1

AlphaFold DB , UniProt , Accession A0A077Z645, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 547 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
1M51.6Low65.8Low195 Ų195141.9 Ų141.996%0.96163%0.634SS**  0-61.60-78.9-77.8-147.600111.9Y3 L4 N5M1-Y3 PolarHBondContact O-N 3.12Å; M1-L4 PolarHBondContact O-N 3.48Å; M1-N5 PolarHBondContact O-N 3.47Å
2H52.7Low66.3Low154 Ų154140.8 Ų140.871%0.71362%0.622SS**Hα-helixtrans-61.3-40.4-175.8-130.1-52.4000114.8L4 N5 E6H2-L4 PolarHBondContact O-N 3.08Å; H2-N5 PolarHBondContact O-N 3.26Å; H2-E6 PolarHBondContact O-N 3.12Å; H2-E6 VanDerWaalsContact O-N 3.17Å
3Y46.6Very low66.9Low197 Ų197135.8 Ų135.877%0.77361%0.609SS**Hα-helixtrans-66.8-32.7177.9-110.3-91.3000114.1M1 M7M1-Y3 PolarHBondContact O-N 3.12Å; Y3-M7 PolarHBondContact O-N 3.29Å; Y3-M7 VanDerWaalsContact O-N 3.16Å
4L58.1Low67.8Low108 Ų108133.9 Ų133.957%0.56560%0.602SS**Hα-helixtrans-69.6-43.2176.5-104.7108.5000110.9M1 H2 E6 M7 E8M1-L4 PolarHBondContact O-N 3.48Å; H2-L4 PolarHBondContact O-N 3.08Å; L4-E6 VanDerWaalsContact C-N 3.28Å; L4-E6 PolarHBondContact O-N 3.4Å; L4-M7 PolarHBondContact O-N 3.26Å; L4-E8 PolarHBondContact O-N 3Å
5N72.4Confident68.6Low94 Ų94132.6 Ų132.650%0.50360%0.598SS.*Hα-helixtrans-61-38.1176.1-76.6-8000112M1 H2 R9M1-N5 PolarHBondContact O-N 3.47Å; H2-N5 PolarHBondContact O-N 3.26Å; N5-R9 VanDerWaalsContact O-CB 3.29Å; N5-R9 WeakPolarHBondContact O-CB 3.5Å; N5-R9 PolarHBondContact O-N 3.13Å
6E73.3Confident69.1Low93 Ų93128.9 Ų128.944%0.43558%0.584SS.*Hα-helixtrans-65.3-44.8176.7-158.290.7-159.400111.7H2 L4 R9 R10H2-E6 PolarHBondContact O-N 3.12Å; H2-E6 VanDerWaalsContact O-N 3.17Å; L4-E6 VanDerWaalsContact C-N 3.28Å; L4-E6 PolarHBondContact O-N 3.4Å; E6-R9 PolarHBondContact O-N 3.37Å; E6-R10 WeakPolarHBondContact O-CG 3.46Å; E6-R10 PolarHBondContact O-N 3.07Å
7M70.6Confident69.5Low124 Ų124128.9 Ų128.961%0.61159%0.589SS**Hα-helixtrans-64.9-44.5177.8-94.9-168-75.800112.4Y3 L4 R9 R10 K11Y3-M7 PolarHBondContact O-N 3.29Å; Y3-M7 VanDerWaalsContact O-N 3.16Å; L4-M7 PolarHBondContact O-N 3.26Å; M7-R9 VanDerWaalsContact C-N 3.27Å; M7-R9 PolarHBondContact O-N 3.41Å; M7-R10 PolarHBondContact O-N 2.95Å; M7-K11 WeakPolarHBondContact O-CB 3.42Å; M7-K11 PolarHBondContact O-N 3.44Å
8E73.7Confident70.2Confident95 Ų95129.1 Ų129.144%0.44459%0.591SS.*Hα-helixtrans-63.3-35.5176-76.3-177.8179.700112.3L4 R12L4-E8 PolarHBondContact O-N 3Å; E8-R12 WeakPolarHBondContact O-CB 3.44Å; E8-R12 WeakPolarHBondContact O-CG 3.34Å; E8-R12 PolarHBondContact O-N 2.88Å; E8-R12 PolarHBondContact O-NE 3.4Å; E8-R12 IonicContact OE2-NH2 3.88Å
9R70.2Confident70.9Confident179 Ų179124.7 Ų124.768%0.67558%0.576SS**Hα-helixtrans-66.5-44.3175.4-165.6176.3-179.5-178.70111N5 E6 M7 R12 V13N5-R9 VanDerWaalsContact O-CB 3.29Å; N5-R9 WeakPolarHBondContact O-CB 3.5Å; N5-R9 PolarHBondContact O-N 3.13Å; E6-R9 PolarHBondContact O-N 3.37Å; M7-R9 VanDerWaalsContact C-N 3.27Å; M7-R9 PolarHBondContact O-N 3.41Å; R9-R12 PolarHBondContact O-N 3.24Å; R9-V13 WeakPolarHBondContact O-CG2 3.25Å; R9-V13 PolarHBondContact O-N 2.91Å
10R77.2Confident71.5Confident177 Ų177126.2 Ų126.267%0.66858%0.581SS**Hα-helixtrans-62.8-43.2175.4-71.3178.4-174.6-165.21.2112.3E6 M7 R12 V13 Q14E6-R10 WeakPolarHBondContact O-CG 3.46Å; E6-R10 PolarHBondContact O-N 3.07Å; M7-R10 PolarHBondContact O-N 2.95Å; R10-R12 VanDerWaalsContact C-N 3.34Å; R10-R12 PolarHBondContact O-N 3.47Å; R10-V13 PolarHBondContact O-N 2.66Å; R10-Q14 WeakPolarHBondContact O-CB 3.47Å; R10-Q14 PolarHBondContact O-N 3.24Å
11K77.5Confident71.9Confident145 Ų145123 Ų12363%0.6358%0.576SS**Hα-helixtrans-62.1-40177.6-165.6177.2-178.2-179.10112M7 Q14 Q15M7-K11 WeakPolarHBondContact O-CB 3.42Å; M7-K11 PolarHBondContact O-N 3.44Å; K11-Q14 PolarHBondContact O-N 3.15Å; K11-Q15 WeakPolarHBondContact O-CG 3.4Å; K11-Q15 PolarHBondContact O-N 3.29Å
12R72.1Confident73.2Confident129 Ų129115.1 Ų115.149%0.48754%0.537SS..Hα-helixtrans-67.5-44175.3-80.8-175.8-87.5-177.7-12.4113.1E8 R9 R10 Q14 Q15 I16E8-R12 WeakPolarHBondContact O-CB 3.44Å; E8-R12 WeakPolarHBondContact O-CG 3.34Å; E8-R12 PolarHBondContact O-N 2.88Å; E8-R12 PolarHBondContact O-NE 3.4Å; E8-R12 IonicContact OE2-NH2 3.88Å; R9-R12 PolarHBondContact O-N 3.24Å; R10-R12 VanDerWaalsContact C-N 3.34Å; R10-R12 PolarHBondContact O-N 3.47Å; R12-Q14 VanDerWaalsContact C-N 3.27Å; R12-Q14 PolarHBondContact O-N 3.28Å; R12-Q15 PolarHBondContact O-N 3.1Å; R12-I16 WeakPolarHBondContact O-CG1 3.45Å; R12-I16 PolarHBondContact O-N 2.96Å
13V74.3Confident74.5Confident75 Ų75115.5 Ų115.546%0.45553%0.532SS..Hα-helixtrans-59.8-42.3175.4171.20000110.5R9 R10 I16 L17R9-V13 WeakPolarHBondContact O-CG2 3.25Å; R9-V13 PolarHBondContact O-N 2.91Å; R10-V13 PolarHBondContact O-N 2.66Å; V13-I16 PolarHBondContact O-N 2.88Å; V13-L17 HydrophobicContact CG1-CD1 3.91Å; V13-L17 HydrophobicContact CG1-CG 4.44Å; V13-L17 WeakPolarHBondContact O-CG 3.42Å; V13-L17 PolarHBondContact O-N 3.06Å
14Q79.5Confident76.2Confident109 Ų109110.3 Ų110.351%0.50952%0.515SS..Hα-helixtrans-61.6-43.5175.8-174.5169.10.200112.1R10 K11 R12 I16 L17 E18R10-Q14 WeakPolarHBondContact O-CB 3.47Å; R10-Q14 PolarHBondContact O-N 3.24Å; K11-Q14 PolarHBondContact O-N 3.15Å; R12-Q14 VanDerWaalsContact C-N 3.27Å; R12-Q14 PolarHBondContact O-N 3.28Å; Q14-I16 VanDerWaalsContact C-N 3.35Å; Q14-I16 PolarHBondContact O-N 3.21Å; Q14-L17 PolarHBondContact O-N 2.9Å; Q14-E18 HydrophobicContact CG-CG 4.34Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.46Å; Q14-E18 PolarHBondContact NE2-OE1 3Å; Q14-E18 WeakPolarHBondContact O-CB 3.29Å; Q14-E18 WeakPolarHBondContact O-CG 3.4Å; Q14-E18 PolarHBondContact O-N 3.28Å
15Q78.7Confident77.1Confident115 Ų115110.1 Ų110.154%0.53751%0.511SS..Hα-helixtrans-61.8-37.4175.7-76.3177-32.800113.6K11 R12 S19K11-Q15 WeakPolarHBondContact O-CG 3.4Å; K11-Q15 PolarHBondContact O-N 3.29Å; R12-Q15 PolarHBondContact O-N 3.1Å; Q15-S19 WeakPolarHBondContact O-CB 3.5Å; Q15-S19 PolarHBondContact O-N 3.37Å; Q15-S19 VanDerWaalsContact O-N 3.08Å
16I76.6Confident77.3Confident73 Ų73108.3 Ų108.337%0.37450%0.501SS..Hα-helixtrans-68-44.4176.7-66168.1000110.1R12 V13 Q14 E18 S19 F22R12-I16 WeakPolarHBondContact O-CG1 3.45Å; R12-I16 PolarHBondContact O-N 2.96Å; V13-I16 PolarHBondContact O-N 2.88Å; Q14-I16 VanDerWaalsContact C-N 3.35Å; Q14-I16 PolarHBondContact O-N 3.21Å; I16-E18 VanDerWaalsContact C-N 3.31Å; I16-E18 PolarHBondContact O-N 3.22Å; I16-S19 WeakPolarHBondContact O-CB 3.35Å; I16-S19 PolarHBondContact O-N 2.87Å; I16-F22 HydrophobicContact CG2-CD1 4.2Å; I16-F22 HydrophobicContact CG2-CD2 4.15Å; I16-F22 HydrophobicContact CG2-CE1 4.27Å; I16-F22 HydrophobicContact CG2-CE2 4.21Å; I16-F22 HydrophobicContact CG2-CG 4.15Å; I16-F22 HydrophobicContact CG2-CZ 4.28Å
17L75.8Confident77.7Confident130 Ų130108.2 Ų108.268%0.68150%0.501SS*.Hα-helixtrans-68.2-28.5179-68.2173.3000113.2V13 Q14V13-L17 HydrophobicContact CG1-CD1 3.91Å; V13-L17 HydrophobicContact CG1-CG 4.44Å; V13-L17 WeakPolarHBondContact O-CG 3.42Å; V13-L17 PolarHBondContact O-N 3.06Å; Q14-L17 PolarHBondContact O-N 2.9Å
18E83Confident78Confident132 Ų132109 Ų10962%0.61750%0.503SS*.Hα-helixtrans-87.7-8.4175.9-70.2173.6-177.100113.2Q14 I16 K20Q14-E18 HydrophobicContact CG-CG 4.34Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.46Å; Q14-E18 PolarHBondContact NE2-OE1 3Å; Q14-E18 WeakPolarHBondContact O-CB 3.29Å; Q14-E18 WeakPolarHBondContact O-CG 3.4Å; Q14-E18 PolarHBondContact O-N 3.28Å; I16-E18 VanDerWaalsContact C-N 3.31Å; I16-E18 PolarHBondContact O-N 3.22Å; E18-K20 PolarHBondContact O-N 3.05Å
19S83.4Confident78Confident45 Ų45105.8 Ų105.832%0.31549%0.489SS..  trans-70.2116.3-178.8176.40000111.5Q15 I16 A21 F22 R23Q15-S19 WeakPolarHBondContact O-CB 3.5Å; Q15-S19 PolarHBondContact O-N 3.37Å; Q15-S19 VanDerWaalsContact O-N 3.08Å; I16-S19 WeakPolarHBondContact O-CB 3.35Å; I16-S19 PolarHBondContact O-N 2.87Å; S19-A21 VanDerWaalsContact C-N 3.28Å; S19-A21 PolarHBondContact O-N 2.98Å; S19-F22 PolarHBondContact O-N 3Å; S19-F22 PolarHBondContact OG-N 3.29Å; S19-R23 PolarHBondContact O-N 2.84Å; S19-R23 VanDerWaalsContact O-N 3.12Å
20K83.8Confident78.2Confident155 Ų155101.6 Ų101.667%0.67448%0.479SS*.Hα-helixtrans-60.2-38.7175.2-163.7-171.5-178.5-146.30112.1E18 R23 E24E18-K20 PolarHBondContact O-N 3.05Å; K20-R23 PolarHBondContact O-N 3.25Å; K20-E24 WeakPolarHBondContact CE-OE1 3.34Å; K20-E24 IonicContact NZ-OE1 3.57Å; K20-E24 PolarHBondContact NZ-OE1 3.42Å; K20-E24 WeakPolarHBondContact O-CG 3.44Å; K20-E24 PolarHBondContact O-N 3.34Å
21A78.7Confident78.1Confident58 Ų5897.9 Ų97.948%0.47947%0.472SS..Hα-helixtrans-64.5-43.5178.700000111.9S19 R23 E24 E25S19-A21 VanDerWaalsContact C-N 3.28Å; S19-A21 PolarHBondContact O-N 2.98Å; A21-R23 VanDerWaalsContact C-N 3.31Å; A21-R23 PolarHBondContact O-N 3.18Å; A21-E24 PolarHBondContact O-N 3.1Å; A21-E25 PolarHBondContact O-N 3.26Å
22F79.2Confident77.7Confident30 Ų3093.9 Ų93.913%0.13246%0.462CS..Hα-helixtrans-62-41.7176.3179-101.4000111.3I16 S19 E25 L26 L52 I53I16-F22 HydrophobicContact CG2-CD1 4.2Å; I16-F22 HydrophobicContact CG2-CD2 4.15Å; I16-F22 HydrophobicContact CG2-CE1 4.27Å; I16-F22 HydrophobicContact CG2-CE2 4.21Å; I16-F22 HydrophobicContact CG2-CG 4.15Å; I16-F22 HydrophobicContact CG2-CZ 4.28Å; S19-F22 PolarHBondContact O-N 3Å; S19-F22 PolarHBondContact OG-N 3.29Å; F22-E25 PolarHBondContact O-N 3.03Å; F22-L26 HydrophobicContact CE1-CD1 4.43Å; F22-L26 HydrophobicContact CZ-CD1 4.23Å; F22-L26 VanDerWaalsContact O-CB 3.27Å; F22-L26 WeakPolarHBondContact O-CB 3.49Å; F22-L26 PolarHBondContact O-N 3.23Å; F22-L52 HydrophobicContact CD2-CD2 3.6Å; F22-L52 HydrophobicContact CE2-CB 4.14Å; F22-L52 HydrophobicContact CE2-CD2 3.71Å; F22-I53 HydrophobicContact CZ-CG1 4.31Å
23R79.9Confident77.3Confident162 Ų16290.4 Ų90.461%0.61145%0.451SS*.Hα-helixtrans-64.1-43.7176.4-175.9178.31731641.5112.4S19 K20 A21 L26 E27S19-R23 PolarHBondContact O-N 2.84Å; S19-R23 VanDerWaalsContact O-N 3.12Å; K20-R23 PolarHBondContact O-N 3.25Å; A21-R23 VanDerWaalsContact C-N 3.31Å; A21-R23 PolarHBondContact O-N 3.18Å; R23-L26 PolarHBondContact O-N 3.02Å; R23-E27 IonicContact CZ-OE1 3.73Å; R23-E27 IonicContact NE-OE1 3.73Å; R23-E27 PolarHBondContact NE-OE1 3.3Å; R23-E27 IonicContact NH2-OE1 3.06Å; R23-E27 WeakPolarHBondContact O-CB 3.15Å; R23-E27 WeakPolarHBondContact O-CG 3.41Å; R23-E27 PolarHBondContact O-N 2.94Å
24E81.7Confident77Confident88 Ų8895 Ų9541%0.41147%0.465SS..Hα-helixtrans-64-42.6177.8-74.3172.3-173.900111.5K20 A21 E27 Q28K20-E24 WeakPolarHBondContact CE-OE1 3.34Å; K20-E24 IonicContact NZ-OE1 3.57Å; K20-E24 PolarHBondContact NZ-OE1 3.42Å; K20-E24 WeakPolarHBondContact O-CG 3.44Å; K20-E24 PolarHBondContact O-N 3.34Å; A21-E24 PolarHBondContact O-N 3.1Å; E24-E27 PolarHBondContact O-N 3.21Å; E24-Q28 WeakPolarHBondContact O-CG 3.48Å; E24-Q28 PolarHBondContact O-N 3.37Å
25E77Confident76.3Confident104 Ų10496.1 Ų96.149%0.48647%0.474SS..Hα-helixtrans-64.4-44174.1-78.4-175.1169.900112.2A21 F22 E27 Q28 L29 L52A21-E25 PolarHBondContact O-N 3.26Å; F22-E25 PolarHBondContact O-N 3.03Å; E25-E27 VanDerWaalsContact C-N 3.34Å; E25-E27 PolarHBondContact O-N 3.27Å; E25-Q28 PolarHBondContact O-N 3.41Å; E25-L29 WeakPolarHBondContact O-CB 3.38Å; E25-L29 PolarHBondContact O-N 3.16Å; E25-L52 WeakPolarHBondContact OE2-CD2 3.46Å
26L78Confident75.3Confident57 Ų5796.6 Ų96.630%0.29848%0.477SS..Hα-helixtrans-60.8-43.3176.7-164.491.2000111.3F22 R23 L29 I30 L49F22-L26 HydrophobicContact CE1-CD1 4.43Å; F22-L26 HydrophobicContact CZ-CD1 4.23Å; F22-L26 VanDerWaalsContact O-CB 3.27Å; F22-L26 WeakPolarHBondContact O-CB 3.49Å; F22-L26 PolarHBondContact O-N 3.23Å; R23-L26 PolarHBondContact O-N 3.02Å; L26-L29 PolarHBondContact O-N 3.17Å; L26-I30 HydrophobicContact CD2-CD1 4.09Å; L26-I30 HydrophobicContact CG-CD1 4.03Å; L26-I30 WeakPolarHBondContact O-CB 3.41Å; L26-I30 WeakPolarHBondContact O-CD1 3.34Å; L26-I30 VanDerWaalsContact O-CG1 3.23Å; L26-I30 WeakPolarHBondContact O-CG1 3.44Å; L26-I30 PolarHBondContact O-N 3.32Å; L26-L49 HydrophobicContact CD1-CD2 3.38Å
27E80.1Confident74.2Confident91 Ų9197.2 Ų97.243%0.42550%0.501SS..Hα-helixtrans-63.5-42176.2-77.2176.1-168.600111.3R23 E24 E25 L29 I30 L31R23-E27 IonicContact CZ-OE1 3.73Å; R23-E27 IonicContact NE-OE1 3.73Å; R23-E27 PolarHBondContact NE-OE1 3.3Å; R23-E27 IonicContact NH2-OE1 3.06Å; R23-E27 WeakPolarHBondContact O-CB 3.15Å; R23-E27 WeakPolarHBondContact O-CG 3.41Å; R23-E27 PolarHBondContact O-N 2.94Å; E24-E27 PolarHBondContact O-N 3.21Å; E25-E27 VanDerWaalsContact C-N 3.34Å; E25-E27 PolarHBondContact O-N 3.27Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 3.42Å; E27-I30 PolarHBondContact O-N 3.21Å; E27-L31 WeakPolarHBondContact O-CB 3.45Å; E27-L31 WeakPolarHBondContact O-CG 3.45Å; E27-L31 PolarHBondContact O-N 3.04Å
28Q78.1Confident73.5Confident139 Ų13993.7 Ų93.765%0.6549%0.487SS*.Hα-helixtrans-63-40.1174.5-74.3-177.116.400112.6E24 E25 L31 S32E24-Q28 WeakPolarHBondContact O-CG 3.48Å; E24-Q28 PolarHBondContact O-N 3.37Å; E25-Q28 PolarHBondContact O-N 3.41Å; Q28-L31 PolarHBondContact O-N 2.97Å; Q28-S32 WeakPolarHBondContact O-CB 3.48Å; Q28-S32 PolarHBondContact O-N 2.99Å; Q28-S32 PolarHBondContact O-OG 3.28Å
29L72.6Confident72.4Confident28 Ų2889.9 Ų89.915%0.14748%0.484CS..Hα-helixtrans-67-41.8178.8-147.697.7000111.6E25 L26 E27 S32 E33 T45 L49E25-L29 WeakPolarHBondContact O-CB 3.38Å; E25-L29 PolarHBondContact O-N 3.16Å; L26-L29 PolarHBondContact O-N 3.17Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 3.42Å; L29-S32 PolarHBondContact O-N 3.49Å; L29-S32 PolarHBondContact O-OG 3.35Å; L29-E33 PolarHBondContact O-N 2.82Å; L29-E33 VanDerWaalsContact O-N 3.12Å; L29-T45 HydrophobicContact CD2-CG2 3.23Å; L29-T45 HydrophobicContact CG-CG2 3.72Å; L29-L49 HydrophobicContact CD2-CD1 4.01Å; L29-L49 HydrophobicContact CD2-CD2 3.57Å; L29-L49 HydrophobicContact CD2-CG 3.46Å; L29-L49 VanDerWaalsContact CD2-CG 3.46Å
30I75Confident71.4Confident92 Ų9290.7 Ų90.747%0.47249%0.493SS..Hα-helixtrans-66.5-40.2175.3-68.9165.8000110.9L26 E27 E33 K34L26-I30 HydrophobicContact CD2-CD1 4.09Å; L26-I30 HydrophobicContact CG-CD1 4.03Å; L26-I30 WeakPolarHBondContact O-CB 3.41Å; L26-I30 WeakPolarHBondContact O-CD1 3.34Å; L26-I30 VanDerWaalsContact O-CG1 3.23Å; L26-I30 WeakPolarHBondContact O-CG1 3.44Å; L26-I30 PolarHBondContact O-N 3.32Å; E27-I30 PolarHBondContact O-N 3.21Å; I30-E33 PolarHBondContact O-N 3.37Å; I30-K34 WeakPolarHBondContact O-CB 3.45Å; I30-K34 PolarHBondContact O-N 2.96Å
31L75.5Confident70.3Confident98 Ų9885.9 Ų85.951%0.51348%0.475SS..Hα-helixtrans-67.7-36.8178-74.2169.9000112.4E27 Q28 K34 N35E27-L31 WeakPolarHBondContact O-CB 3.45Å; E27-L31 WeakPolarHBondContact O-CG 3.45Å; E27-L31 PolarHBondContact O-N 3.04Å; Q28-L31 PolarHBondContact O-N 2.97Å; L31-K34 PolarHBondContact O-N 2.82Å; L31-N35 PolarHBondContact O-N 3.23Å; L31-N35 PolarHBondContact O-ND2 3.26Å
32S68.5Low69.4Low61 Ų6189.9 Ų89.943%0.42748%0.478SS..Hα-helixtrans-67.8-39175.870.60000111.4Q28 L29 N35 Q36Q28-S32 WeakPolarHBondContact O-CB 3.48Å; Q28-S32 PolarHBondContact O-N 2.99Å; Q28-S32 PolarHBondContact O-OG 3.28Å; L29-S32 PolarHBondContact O-N 3.49Å; L29-S32 PolarHBondContact O-OG 3.35Å; S32-N35 PolarHBondContact O-N 3.41Å; S32-Q36 PolarHBondContact O-N 3.46Å
33E64.3Low68.8Low57 Ų5794.2 Ų94.227%0.26650%0.501SS..Hα-helixtrans-69.1-36.8175.9-150-153.9143.900112.4L29 I30 N35 Q36 R42 T45L29-E33 PolarHBondContact O-N 2.82Å; L29-E33 VanDerWaalsContact O-N 3.12Å; I30-E33 PolarHBondContact O-N 3.37Å; E33-N35 PolarHBondContact O-N 2.91Å; E33-Q36 PolarHBondContact O-N 3.41Å; E33-R42 HydrophobicContact CG-CG 4.36Å; E33-R42 WeakPolarHBondContact OE1-CD 3.45Å; E33-R42 WeakPolarHBondContact OE1-CG 3.35Å; E33-R42 IonicContact OE1-CZ 3.87Å; E33-R42 IonicContact OE1-NE 2.83Å; E33-R42 PolarHBondContact OE1-NE 2.99Å; E33-T45 HydrophobicContact CG-CG2 4.44Å
34K67.1Low68.1Low172 Ų17292.3 Ų92.375%0.74850%0.498SS*.Hα-helixtrans-62.3-28.6175.8-173.8176.1176.1178.20112.6I30 L31I30-K34 WeakPolarHBondContact O-CB 3.45Å; I30-K34 PolarHBondContact O-N 2.96Å; L31-K34 PolarHBondContact O-N 2.82Å
35N66Low67.3Low131 Ų13188.7 Ų88.770%0.70148%0.482SS*.Hα-helixtrans-95.2-9.9-178-68.9-23000113.7L31 S32 E33L31-N35 PolarHBondContact O-N 3.23Å; L31-N35 PolarHBondContact O-ND2 3.26Å; S32-N35 PolarHBondContact O-N 3.41Å; E33-N35 PolarHBondContact O-N 2.91Å
36Q57.7Low66.8Low125 Ų12589 Ų8958%0.58449%0.486SS*.  trans-133.789.5-176-63.1-173.510.700111.1S32 E33 S38S32-Q36 PolarHBondContact O-N 3.46Å; E33-Q36 PolarHBondContact O-N 3.41Å; Q36-S38 PolarHBondContact O-N 2.96Å
37G52.2Low66.3Low86 Ų8690.9 Ų90.989%0.88749%0.493SS*.  trans-79.963-172.600000115.9
38S61.1Low65.6Low56 Ų5691.2 Ų91.239%0.39250%0.495SS..  trans-123.5130.9173.5174.50000112.2Q36 A40 D41 R42Q36-S38 PolarHBondContact O-N 2.96Å; S38-A40 PolarHBondContact O-N 3.24Å; S38-D41 PolarHBondContact O-N 3.45Å; S38-D41 VanDerWaalsContact O-N 3.11Å; S38-R42 PolarHBondContact O-N 3.21Å
39G60.8Low64.9Low53 Ų5386.3 Ų86.355%0.54647%0.473SS..Hα-helixtrans-62.8-20.7-179.600000115.1
40A61.7Low64.7Low62 Ų6287.3 Ų87.351%0.51248%0.482SS..Hα-helixtrans-76-32.5175.500000112.3S38 K44S38-A40 PolarHBondContact O-N 3.24Å; A40-K44 PolarHBondContact O-N 3.34Å
41D60.4Low64.2Low54 Ų5489.5 Ų89.529%0.28949%0.491SS..Hα-helixtrans-73.6-37.4176.6-66.3-39.3000110.1S38 L43 K44 T45S38-D41 PolarHBondContact O-N 3.45Å; S38-D41 VanDerWaalsContact O-N 3.11Å; D41-L43 PolarHBondContact O-N 2.99Å; D41-L43 VanDerWaalsContact O-N 3.16Å; D41-K44 CarbonylContact O-C 3.37Å; D41-K44 WeakPolarHBondContact O-CA 3.22Å; D41-K44 WeakPolarHBondContact O-CB 3.2Å; D41-K44 PolarHBondContact O-N 3.28Å; D41-T45 PolarHBondContact O-N 2.9Å; D41-T45 PolarHBondContact O-OG1 2.97Å
42R61.3Low63.5Low141 Ų14187.8 Ų87.853%0.53248%0.482SS..Hα-helixtrans-52.4-38.8172.6-59.5-157.5160.2148.82.6114E33 S38 T45 L46E33-R42 HydrophobicContact CG-CG 4.36Å; E33-R42 WeakPolarHBondContact OE1-CD 3.45Å; E33-R42 WeakPolarHBondContact OE1-CG 3.35Å; E33-R42 IonicContact OE1-CZ 3.87Å; E33-R42 IonicContact OE1-NE 2.83Å; E33-R42 PolarHBondContact OE1-NE 2.99Å; S38-R42 PolarHBondContact O-N 3.21Å; R42-T45 WeakPolarHBondContact O-CB 3.46Å; R42-T45 PolarHBondContact O-N 3.12Å; R42-L46 WeakPolarHBondContact O-CB 3.38Å; R42-L46 VanDerWaalsContact O-CG 3.29Å; R42-L46 WeakPolarHBondContact O-CG 3.37Å; R42-L46 PolarHBondContact O-N 2.98Å
43L65.1Low63.3Low121 Ų12190 Ų9063%0.63449%0.487SS*.Hα-helixtrans-68.7-39.6177.7-79166.2000111.7D41 L46 E47D41-L43 PolarHBondContact O-N 2.99Å; D41-L43 VanDerWaalsContact O-N 3.16Å; L43-L46 PolarHBondContact O-N 3.38Å; L43-E47 WeakPolarHBondContact O-CB 3.41Å; L43-E47 PolarHBondContact O-N 2.74Å
44K66Low63Low123 Ų12392.6 Ų92.654%0.53550%0.503SS..Hα-helixtrans-65.7-40.2172.3-69.7178.3179.7168.60111.6A40 D41 L46 E47 Q48A40-K44 PolarHBondContact O-N 3.34Å; D41-K44 CarbonylContact O-C 3.37Å; D41-K44 WeakPolarHBondContact O-CA 3.22Å; D41-K44 WeakPolarHBondContact O-CB 3.2Å; D41-K44 PolarHBondContact O-N 3.28Å; K44-L46 VanDerWaalsContact C-N 3.34Å; K44-E47 PolarHBondContact O-N 3.11Å; K44-Q48 WeakPolarHBondContact O-CB 3.33Å; K44-Q48 VanDerWaalsContact O-CG 3.31Å; K44-Q48 WeakPolarHBondContact O-CG 3.36Å; K44-Q48 PolarHBondContact O-N 3.2Å
45T64.6Low62.1Low12 Ų1289.3 Ų89.37%0.07450%0.499CS..Hα-helixtrans-59.6-46.1174.9-43.30000110.1L29 E33 D41 R42 Q48 L49L29-T45 HydrophobicContact CD2-CG2 3.23Å; L29-T45 HydrophobicContact CG-CG2 3.72Å; E33-T45 HydrophobicContact CG-CG2 4.44Å; D41-T45 PolarHBondContact O-N 2.9Å; D41-T45 PolarHBondContact O-OG1 2.97Å; R42-T45 WeakPolarHBondContact O-CB 3.46Å; R42-T45 PolarHBondContact O-N 3.12Å; T45-Q48 PolarHBondContact O-N 2.88Å; T45-L49 HydrophobicContact CG2-CD1 4.43Å; T45-L49 WeakPolarHBondContact O-CB 3.39Å; T45-L49 WeakPolarHBondContact O-CG 3.45Å; T45-L49 PolarHBondContact O-N 3.4Å
46L66Low61.1Low109 Ų10988.9 Ų88.957%0.57151%0.506SS*.Hα-helixtrans-65.5-37.4175.6-74.9170.1000113R42 L43 K44 L49 S50R42-L46 WeakPolarHBondContact O-CB 3.38Å; R42-L46 VanDerWaalsContact O-CG 3.29Å; R42-L46 WeakPolarHBondContact O-CG 3.37Å; R42-L46 PolarHBondContact O-N 2.98Å; L43-L46 PolarHBondContact O-N 3.38Å; K44-L46 VanDerWaalsContact C-N 3.34Å; L46-L49 PolarHBondContact O-N 2.97Å; L46-S50 WeakPolarHBondContact O-CB 3.42Å; L46-S50 PolarHBondContact O-N 3.01Å
47E67.4Low60.3Low98 Ų9887 Ų8746%0.45851%0.507SS..Hα-helixtrans-64.4-47.7175.1-169.7170.8-164.100110.7L43 K44 L49 S50 E51L43-E47 WeakPolarHBondContact O-CB 3.41Å; L43-E47 PolarHBondContact O-N 2.74Å; K44-E47 PolarHBondContact O-N 3.11Å; E47-L49 PolarHBondContact O-N 3.32Å; E47-S50 WeakPolarHBondContact O-CA 3.23Å; E47-S50 WeakPolarHBondContact O-CB 3.35Å; E47-S50 PolarHBondContact O-N 3.27Å; E47-S50 PolarHBondContact O-OG 3.06Å; E47-E51 PolarHBondContact O-N 3.46Å
48Q65.8Low59.5Low97 Ų9789.2 Ų89.245%0.45351%0.506SS..Hα-helixtrans-61.8-42174.5-73.3176.8-27.600112.3K44 T45 S50 E51 L52K44-Q48 WeakPolarHBondContact O-CB 3.33Å; K44-Q48 VanDerWaalsContact O-CG 3.31Å; K44-Q48 WeakPolarHBondContact O-CG 3.36Å; K44-Q48 PolarHBondContact O-N 3.2Å; T45-Q48 PolarHBondContact O-N 2.88Å; Q48-S50 VanDerWaalsContact C-N 3.27Å; Q48-S50 PolarHBondContact O-N 3.35Å; Q48-E51 PolarHBondContact O-N 3.18Å; Q48-L52 WeakPolarHBondContact O-CB 3.34Å; Q48-L52 PolarHBondContact O-N 3.03Å
49L64.6Low58.5Low37 Ų3789.8 Ų89.819%0.19451%0.514CS..Hα-helixtrans-62.3-36.4172.7-73.1170.4000111.5L26 L29 T45 L46 E47 L52 I53L26-L49 HydrophobicContact CD1-CD2 3.38Å; L29-L49 HydrophobicContact CD2-CD1 4.01Å; L29-L49 HydrophobicContact CD2-CD2 3.57Å; L29-L49 HydrophobicContact CD2-CG 3.46Å; L29-L49 VanDerWaalsContact CD2-CG 3.46Å; T45-L49 HydrophobicContact CG2-CD1 4.43Å; T45-L49 WeakPolarHBondContact O-CB 3.39Å; T45-L49 WeakPolarHBondContact O-CG 3.45Å; T45-L49 PolarHBondContact O-N 3.4Å; L46-L49 PolarHBondContact O-N 2.97Å; E47-L49 PolarHBondContact O-N 3.32Å; L49-L52 PolarHBondContact O-N 2.93Å; L49-I53 WeakPolarHBondContact O-CB 3.46Å; L49-I53 WeakPolarHBondContact O-CD1 3.47Å; L49-I53 WeakPolarHBondContact O-CG1 3.43Å; L49-I53 PolarHBondContact O-N 3.29Å
50S66.7Low57.3Low49 Ų4992.7 Ų92.734%0.34353%0.526SS..Hα-helixtrans-66.6-40.6175.686.80000111.5L46 E47 Q48 L52 I53 L54L46-S50 WeakPolarHBondContact O-CB 3.42Å; L46-S50 PolarHBondContact O-N 3.01Å; E47-S50 WeakPolarHBondContact O-CA 3.23Å; E47-S50 WeakPolarHBondContact O-CB 3.35Å; E47-S50 PolarHBondContact O-N 3.27Å; E47-S50 PolarHBondContact O-OG 3.06Å; Q48-S50 VanDerWaalsContact C-N 3.27Å; Q48-S50 PolarHBondContact O-N 3.35Å; S50-L52 VanDerWaalsContact C-N 3.31Å; S50-L52 PolarHBondContact O-N 3.38Å; S50-I53 PolarHBondContact O-N 3.45Å; S50-L54 WeakPolarHBondContact O-CB 3.42Å; S50-L54 WeakPolarHBondContact O-CD1 3.22Å; S50-L54 WeakPolarHBondContact O-CG 3.29Å; S50-L54 PolarHBondContact O-N 3.3Å
51E64.6Low56.3Low138 Ų13899.2 Ų99.265%0.64554%0.542SS*.Hα-helixtrans-64.9-35.5175.6-70-174.4160.200112.1E47 Q48E47-E51 PolarHBondContact O-N 3.46Å; Q48-E51 PolarHBondContact O-N 3.18Å
52L61.5Low55.1Low62 Ų62103.5 Ų103.533%0.32556%0.564SS.*Hα-helixtrans-73.7-30.5177.2-103.4145000113.8F22 E25 Q48 L49 S50F22-L52 HydrophobicContact CD2-CD2 3.6Å; F22-L52 HydrophobicContact CE2-CB 4.14Å; F22-L52 HydrophobicContact CE2-CD2 3.71Å; E25-L52 WeakPolarHBondContact OE2-CD2 3.46Å; Q48-L52 WeakPolarHBondContact O-CB 3.34Å; Q48-L52 PolarHBondContact O-N 3.03Å; L49-L52 PolarHBondContact O-N 2.93Å; S50-L52 VanDerWaalsContact C-N 3.31Å; S50-L52 PolarHBondContact O-N 3.38Å
53I63.6Low53.9Low107 Ų107100.6 Ų100.655%0.54956%0.564SS.*Hα-helixtrans-92.7-25-178.3-65165.9000111.6F22 L49 S50F22-I53 HydrophobicContact CZ-CG1 4.31Å; L49-I53 WeakPolarHBondContact O-CB 3.46Å; L49-I53 WeakPolarHBondContact O-CD1 3.47Å; L49-I53 WeakPolarHBondContact O-CG1 3.43Å; L49-I53 PolarHBondContact O-N 3.29Å; S50-I53 PolarHBondContact O-N 3.45Å
54L58.8Low52.9Low112 Ų112100 Ų10059%0.58656%0.56SS**SBendtrans-78.3133.8178.5-72.9167.7000110.5S50 S56S50-L54 WeakPolarHBondContact O-CB 3.42Å; S50-L54 WeakPolarHBondContact O-CD1 3.22Å; S50-L54 WeakPolarHBondContact O-CG 3.29Å; S50-L54 PolarHBondContact O-N 3.3Å; L54-S56 PolarHBondContact O-N 3.2Å
55P48.5Very low51.6Low102 Ų102103.6 Ų103.666%0.66258%0.576SS**  trans-62.5116.4-176.724.4-31.9000110S57P55-S57 PolarHBondContact O-N 3.04Å
56S44.7Very low50.4Low123 Ų123107.1 Ų107.186%0.8660%0.601SS**  trans-64.973.6161.548.80000109.3L54L54-S56 PolarHBondContact O-N 3.2Å
57S40.1Very low49Very low85 Ų85107.3 Ų107.359%0.59460%0.602SS**  trans-73.1122165.9-121.80000107.1P55 A59P55-S57 PolarHBondContact O-N 3.04Å; S57-A59 PolarHBondContact O-N 3.41Å
58P37.4Very low47.5Very low133 Ų133106.8 Ų106.886%0.86462%0.623SS**SBendtrans-79.466.9175.534.7-32.1000107.7
59A39Very low46.7Very low68 Ų68107.4 Ų107.456%0.56264%0.638SS**SBendtrans174.5126.9170.900000109.6S57S57-A59 PolarHBondContact O-N 3.41Å
60S36.4Very low46.4Very low114 Ų114109.9 Ų109.980%0.79766%0.655SS**SBendtrans77.2117.5161.1-42.90000116
61K39.1Very low46.4Very low199 Ų199113.3 Ų113.387%0.86567%0.673SS**  trans94.564.1172.6-51.3175.7-178.71800116C63K61-C63 PolarHBondContact O-N 3.48Å; K61-C63 VanDerWaalsContact O-N 3.09Å
62I35.7Very low47.3Very low144 Ų144109.9 Ų109.974%0.73866%0.659SS**  trans-69.498.8139.1-66.8173.6000105.8I64I62-I64 HydrophobicContact CG2-CG1 4.39Å; I62-I64 PolarHBondContact O-N 3.04Å
63C35.7Very low48.6Very low80 Ų80110.6 Ų110.654%0.54166%0.662SS.*  trans-75.7101.1169.5-171.10000107.4K61 K65 S66K61-C63 PolarHBondContact O-N 3.48Å; K61-C63 VanDerWaalsContact O-N 3.09Å; C63-K65 PolarHBondContact O-N 2.91Å; C63-S66 PolarHBondContact O-N 3.3Å
64I44.7Very low50Low107 Ų107107.2 Ų107.255%0.54965%0.647SS.*G310 helixtrans-57.2-8.2176-65.1172000112.4I62 S66I62-I64 HydrophobicContact CG2-CG1 4.39Å; I62-I64 PolarHBondContact O-N 3.04Å; I64-S66 VanDerWaalsContact C-N 3.34Å; I64-S66 PolarHBondContact O-N 3.07Å
65K39.9Very low51.8Low199 Ų199101.9 Ų101.987%0.86562%0.619SS**G310 helixtrans-79.8-5.5-180-59.2-171.4176.6-175.80115C63C63-K65 PolarHBondContact O-N 2.91Å
66S38.1Very low54Low86 Ų8698.6 Ų98.660%0.60160%0.601SS**G310 helixtrans-100.3-8.3-177.2-150.50000115.8C63 I64 G68C63-S66 PolarHBondContact O-N 3.3Å; I64-S66 VanDerWaalsContact C-N 3.34Å; I64-S66 PolarHBondContact O-N 3.07Å; S66-G68 PolarHBondContact O-N 2.8Å
67L37.9Very low56.3Low114 Ų11494.4 Ų94.460%0.59757%0.569SS**  trans-93.390168.9-70.5101.1000110S69 V70L67-S69 PolarHBondContact O-N 3.13Å; L67-V70 HydrophobicContact CB-CG2 3.43Å; L67-V70 VanDerWaalsContact CB-CG2 3.43Å; L67-V70 HydrophobicContact CD1-CG2 4.47Å; L67-V70 HydrophobicContact CD2-CG2 3.59Å; L67-V70 HydrophobicContact CG-CG2 4.01Å; L67-V70 PolarHBondContact O-N 3.46Å
68G35.6Very low58.8Low87 Ų8791.3 Ų91.390%0.89755%0.545SS*.THydrogen-bonded Turntrans-62.217.2179.300000116.8S66S66-G68 PolarHBondContact O-N 2.8Å
69S48.1Very low61Low110 Ų11093 Ų9377%0.76953%0.534SS*.THydrogen-bonded Turntrans-165.842.9173.2-172.80000113.3L67 V71L67-S69 PolarHBondContact O-N 3.13Å; S69-V71 PolarHBondContact O-N 3Å
70V58.8Low63Low89 Ų8992.7 Ų92.754%0.53954%0.538SS..  trans-78.9117.2166.5174.60000108.5L67 I72L67-V70 HydrophobicContact CB-CG2 3.43Å; L67-V70 VanDerWaalsContact CB-CG2 3.43Å; L67-V70 HydrophobicContact CD1-CG2 4.47Å; L67-V70 HydrophobicContact CD2-CG2 3.59Å; L67-V70 HydrophobicContact CG-CG2 4.01Å; L67-V70 PolarHBondContact O-N 3.46Å; V70-I72 PolarHBondContact O-N 3.48Å
71V66.4Low64.8Low120 Ų12091.2 Ų91.273%0.72753%0.533SS*.  trans-66.9105.3172.3178.50000107.9S69 L73S69-V71 PolarHBondContact O-N 3Å; V71-L73 PolarHBondContact O-N 3.15Å
72I82.7Confident66.5Low67 Ų6785.2 Ų85.234%0.34451%0.508SS..PPolyproline II helixtrans-75.6116.2176.5-58.5178.5000108.2V70 A338 Y340V70-I72 PolarHBondContact O-N 3.48Å; I72-A338 WeakPolarHBondContact CD1-O 3.31Å; I72-Y340 HydrophobicContact CG2-CD1 3.59Å; I72-Y340 HydrophobicContact CG2-CD2 4.37Å; I72-Y340 HydrophobicContact CG2-CE1 3.82Å; I72-Y340 HydrophobicContact CG2-CG 3.89Å
73L89.1Confident68.6Low77 Ų7780.5 Ų80.540%0.40349%0.485SS..PPolyproline II helixtrans-66.6126.3174.8-67.7174.6000109.8V71 I75 T145V71-L73 PolarHBondContact O-N 3.15Å; L73-I75 PolarHBondContact O-N 2.65Å; L73-T145 HydrophobicContact CB-CG2 4.33Å
74P93.8Very high70.8Confident36 Ų3681.4 Ų81.423%0.23449%0.493CS..PPolyproline II helixtrans-67.5133.9176.327.7-32.4000110.2D77 T145 Y340 R341P74-D77 HydrophobicContact CG-CB 4.16Å; P74-T145 WeakPolarHBondContact O-CG2 3.44Å; P74-Y340 CarbonylContact C-O 3.57Å; P74-Y340 VanDerWaalsContact CA-O 3.31Å; P74-Y340 WeakPolarHBondContact CA-O 3.47Å; P74-R341 HydrophobicContact CB-CB 4.19Å
75I95.7Very high72.8Confident0 Ų082.1 Ų82.10%049%0.492CS..SBendtrans-66.5-49.4175.5-67.5163.8000110L73 D77 A98 R102 A146 L335 Y340 T342L73-I75 PolarHBondContact O-N 2.65Å; I75-D77 VanDerWaalsContact C-N 3.32Å; I75-D77 PolarHBondContact O-N 3.28Å; I75-D77 VanDerWaalsContact O-N 3.13Å; I75-A98 HydrophobicContact CG2-CB 3.66Å; I75-R102 HydrophobicContact CD1-CB 4.25Å; I75-R102 HydrophobicContact CD1-CG 3.65Å; I75-R102 HydrophobicContact CG1-CG 3.69Å; I75-A146 VanDerWaalsContact O-CB 3.26Å; I75-A146 WeakPolarHBondContact O-CB 3.41Å; I75-A146 PolarHBondContact O-N 2.93Å; I75-L335 HydrophobicContact CD1-CD1 4.07Å; I75-Y340 HydrophobicContact CD1-CD1 4.44Å; I75-Y340 HydrophobicContact CD1-CG 4.32Å; I75-Y340 PolarHBondContact N-O 3.47Å; I75-T342 HydrophobicContact CD1-CG2 3.82Å
76A94.8Very high75.2Confident32 Ų3273.3 Ų73.326%0.26445%0.454SS..  trans-8674176.100000110.5R341A76-R341 WeakPolarHBondContact CB-O 3.49Å; A76-R341 PolarHBondContact N-O 2.93Å
77D94.1Very high77.7Confident35 Ų3573.3 Ų73.319%0.18745%0.45CS..  trans-94.7-11.4-175.265.8-24.1000115P74 I75 R79 T145 A146 S147P74-D77 HydrophobicContact CG-CB 4.16Å; I75-D77 VanDerWaalsContact C-N 3.32Å; I75-D77 PolarHBondContact O-N 3.28Å; I75-D77 VanDerWaalsContact O-N 3.13Å; D77-R79 WeakPolarHBondContact O-CG 3.33Å; D77-R79 PolarHBondContact O-N 2.9Å; D77-T145 VanDerWaalsContact CG-CB 3.44Å; D77-T145 PolarHBondContact OD1-OG1 3.43Å; D77-T145 WeakPolarHBondContact OD2-CB 3.12Å; D77-T145 PolarHBondContact OD2-OG1 2.73Å; D77-A146 PolarHBondContact OD1-N 2.76Å; D77-S147 WeakPolarHBondContact OD1-CB 3.35Å; D77-S147 PolarHBondContact OD1-N 3.23Å; D77-S147 WeakPolarHBondContact OD2-CB 3.29Å; D77-S147 PolarHBondContact OD2-OG 2.92Å
78L91.2Very high80.2Confident21 Ų2174.9 Ų74.911%0.1145%0.452CS..  trans-56.5117.2177.5-64.9171.9000111.5E82 V83 F86 R91 A146L78-E82 HydrophobicContact CD2-CB 4.1Å; L78-V83 HydrophobicContact CB-CG2 4.41Å; L78-V83 WeakPolarHBondContact O-CG2 3.36Å; L78-F86 HydrophobicContact CD1-CD2 4.15Å; L78-F86 HydrophobicContact CD2-CD2 4.03Å; L78-F86 HydrophobicContact CD2-CE2 3.75Å; L78-R91 HydrophobicContact CD1-CB 4.42Å; L78-R91 HydrophobicContact CD1-CG 3.99Å; L78-A146 HydrophobicContact CD1-CB 4Å; L78-A146 HydrophobicContact CG-CB 4Å
79R84.8Confident82.8Confident168 Ų16875.6 Ų75.663%0.63443%0.432SS*.  trans-134.5157.1-179.9-68.7-176.7-170.2-161.37.7112.5D77 A81 E82D77-R79 WeakPolarHBondContact O-CG 3.33Å; D77-R79 PolarHBondContact O-N 2.9Å; R79-A81 PolarHBondContact O-N 2.67Å; R79-E82 PolarHBondContact O-N 2.74Å
80G81.3Confident84.9Confident62 Ų6271 Ų7164%0.63940%0.398SS*.THydrogen-bonded Turntrans57-127.1171.700000113.3E82 V83G80-E82 VanDerWaalsContact C-N 3.26Å; G80-E82 PolarHBondContact O-N 3.44Å; G80-V83 VanDerWaalsContact O-CB 3.32Å; G80-V83 WeakPolarHBondContact O-CB 3.48Å; G80-V83 PolarHBondContact O-N 2.97Å; G80-V83 VanDerWaalsContact O-N 3.1Å
81A74.3Confident86.5Confident83 Ų8370.6 Ų70.669%0.68639%0.387SS*.Hα-helixtrans-62.3-27.4-176.800000113.9R79 V83 S84 K85R79-A81 PolarHBondContact O-N 2.67Å; A81-V83 PolarHBondContact O-N 3.4Å; A81-S84 PolarHBondContact O-N 3.37Å; A81-S84 PolarHBondContact O-OG 3.08Å; A81-K85 PolarHBondContact O-N 3.46Å
82E74.5Confident87.8Confident73 Ų7367.5 Ų67.534%0.34137%0.366SS..Hα-helixtrans-66.4-30.3176.1-60.8-171.614700112L78 R79 G80 S84 K85 F86L78-E82 HydrophobicContact CD2-CB 4.1Å; R79-E82 PolarHBondContact O-N 2.74Å; G80-E82 VanDerWaalsContact C-N 3.26Å; G80-E82 PolarHBondContact O-N 3.44Å; E82-S84 VanDerWaalsContact C-N 3.26Å; E82-S84 PolarHBondContact O-N 3.09Å; E82-K85 WeakPolarHBondContact O-CB 3.39Å; E82-K85 PolarHBondContact O-N 3.03Å; E82-K85 VanDerWaalsContact O-N 3.12Å; E82-F86 VanDerWaalsContact O-CD2 3.29Å; E82-F86 WeakPolarHBondContact O-CD2 3.45Å
83V79.9Confident88.4Confident44 Ų4465.4 Ų65.427%0.26736%0.356SS..Hα-helixtrans-65.5-33.8178.7179.40000111.2L78 G80 A81 R91L78-V83 HydrophobicContact CB-CG2 4.41Å; L78-V83 WeakPolarHBondContact O-CG2 3.36Å; G80-V83 VanDerWaalsContact O-CB 3.32Å; G80-V83 WeakPolarHBondContact O-CB 3.48Å; G80-V83 PolarHBondContact O-N 2.97Å; G80-V83 VanDerWaalsContact O-N 3.1Å; A81-V83 PolarHBondContact O-N 3.4Å; V83-R91 PolarHBondContact O-NE 3.17Å
84S81.7Confident88.7Confident99 Ų9961.8 Ų61.869%0.69234%0.336SS*.Hα-helixtrans-77.6-20.9174.1370000113.7A81 E82 F86A81-S84 PolarHBondContact O-N 3.37Å; A81-S84 PolarHBondContact O-OG 3.08Å; E82-S84 VanDerWaalsContact C-N 3.26Å; E82-S84 PolarHBondContact O-N 3.09Å; S84-F86 VanDerWaalsContact C-N 3.27Å; S84-F86 PolarHBondContact O-N 3.24Å
85K86.8Confident88.9Confident123 Ų12361.2 Ų61.254%0.53533%0.332SS..Hα-helixtrans-67.2-29.2178-166.6-175.5-178-165.10112.3A81 E82 D160A81-K85 PolarHBondContact O-N 3.46Å; E82-K85 WeakPolarHBondContact O-CB 3.39Å; E82-K85 PolarHBondContact O-N 3.03Å; E82-K85 VanDerWaalsContact O-N 3.12Å; K85-D160 WeakPolarHBondContact CE-OD2 3.42Å; K85-D160 IonicContact NZ-OD1 3.64Å; K85-D160 PolarHBondContact NZ-OD1 3.02Å; K85-D160 IonicContact NZ-OD2 2.81Å; K85-D160 PolarHBondContact NZ-OD2 3.16Å
86F89Confident88.9Confident13 Ų1364.6 Ų64.66%0.05735%0.346CS..SBendtrans-118.7138.3-170.4-56.7-56.5000112.7L78 E82 S84 E90 R91 D160L78-F86 HydrophobicContact CD1-CD2 4.15Å; L78-F86 HydrophobicContact CD2-CD2 4.03Å; L78-F86 HydrophobicContact CD2-CE2 3.75Å; E82-F86 VanDerWaalsContact O-CD2 3.29Å; E82-F86 WeakPolarHBondContact O-CD2 3.45Å; S84-F86 VanDerWaalsContact C-N 3.27Å; S84-F86 PolarHBondContact O-N 3.24Å; F86-E90 HydrophobicContact CB-CB 4.38Å; F86-E90 HydrophobicContact CB-CG 4.24Å; F86-E90 HydrophobicContact CD1-CG 4.21Å; F86-E90 WeakPolarHBondContact CD1-OE1 3.09Å; F86-E90 VanDerWaalsContact CE1-OE1 3.28Å; F86-E90 WeakPolarHBondContact CE1-OE1 3.19Å; F86-E90 HydrophobicContact CG-CG 4.43Å; F86-R91 HydrophobicContact CB-CG 3.59Å; F86-R91 PolarHBondContact O-NE 2.92Å; F86-D160 WeakPolarHBondContact CE1-OD2 3.43Å; F86-D160 VanDerWaalsContact CZ-OD2 3.31Å; F86-D160 WeakPolarHBondContact CZ-OD2 3.4Å
87T90.5Very high89Confident87 Ų8763 Ų6353%0.53433%0.334SS..  trans-59.7157.3172.471.30000110.7Q89 E90 R91T87-Q89 PolarHBondContact O-N 2.9Å; T87-E90 PolarHBondContact O-N 2.87Å; T87-E90 PolarHBondContact OG1-N 3.27Å; T87-R91 WeakPolarHBondContact O-CG 3.44Å; T87-R91 PolarHBondContact O-N 3.41Å
88K90.4Very high89.2Confident147 Ų14761.4 Ų61.464%0.63933%0.325SS*.Hα-helixtrans-56.1-39.3177.8-176.6-179.6177.2-177.10111.9I92K88-I92 HydrophobicContact CG-CD1 4.17Å; K88-I92 WeakPolarHBondContact O-CG1 3.37Å; K88-I92 PolarHBondContact O-N 2.78Å
89Q90.2Very high89.5Confident102 Ų10260.4 Ų60.448%0.47732%0.32SS..Hα-helixtrans-67.3-44.8179.2-68.6178.4-9.100111.8T87 R91 I92 L93T87-Q89 PolarHBondContact O-N 2.9Å; Q89-R91 VanDerWaalsContact C-N 3.34Å; Q89-R91 PolarHBondContact O-N 3.29Å; Q89-I92 PolarHBondContact O-N 3.14Å; Q89-L93 PolarHBondContact O-N 3.06Å
90E92.6Very high90.1Very high12 Ų1252.4 Ų52.46%0.05629%0.29CS..Hα-helixtrans-61.3-43176.4176.6171.5172.500111.4F86 T87 I92 L93 R94 L123 L133 K151F86-E90 HydrophobicContact CB-CB 4.38Å; F86-E90 HydrophobicContact CB-CG 4.24Å; F86-E90 HydrophobicContact CD1-CG 4.21Å; F86-E90 WeakPolarHBondContact CD1-OE1 3.09Å; F86-E90 VanDerWaalsContact CE1-OE1 3.28Å; F86-E90 WeakPolarHBondContact CE1-OE1 3.19Å; F86-E90 HydrophobicContact CG-CG 4.43Å; T87-E90 PolarHBondContact O-N 2.87Å; T87-E90 PolarHBondContact OG1-N 3.27Å; E90-I92 VanDerWaalsContact C-N 3.35Å; E90-I92 PolarHBondContact O-N 3.47Å; E90-L93 WeakPolarHBondContact O-CB 3.33Å; E90-L93 PolarHBondContact O-N 3.43Å; E90-L93 VanDerWaalsContact O-N 3.14Å; E90-R94 HydrophobicContact CG-CG 4.28Å; E90-R94 WeakPolarHBondContact O-CG 3.36Å; E90-R94 PolarHBondContact O-N 3.14Å; E90-R94 IonicContact OE1-CZ 2.62Å; E90-R94 IonicContact OE1-NE 3.1Å; E90-R94 PolarHBondContact OE1-NE 3.16Å; E90-R94 IonicContact OE1-NH2 3.77Å; E90-R94 PolarHBondContact OE1-NH2 2.87Å; E90-L123 HydrophobicContact CB-CD2 3.79Å; E90-L123 HydrophobicContact CG-CD2 3.91Å; E90-L133 HydrophobicContact CG-CD1 4.48Å; E90-K151 WeakPolarHBondContact OE1-CE 3.29Å; E90-K151 IonicContact OE1-NZ 3.88Å; E90-K151 PolarHBondContact OE1-NZ 2.88Å; E90-K151 IonicContact OE2-NZ 3.66Å; E90-K151 PolarHBondContact OE2-NZ 2.72Å
91R93.3Very high90.8Very high81 Ų8149.5 Ų49.531%0.30626%0.259SS..Hα-helixtrans-59.9-43.9177.7-70.3-172.2-77.9143.7-8.5112.5L78 V83 F86 T87 Q89 L93 R94 N95L78-R91 HydrophobicContact CD1-CB 4.42Å; L78-R91 HydrophobicContact CD1-CG 3.99Å; V83-R91 PolarHBondContact O-NE 3.17Å; F86-R91 HydrophobicContact CB-CG 3.59Å; F86-R91 PolarHBondContact O-NE 2.92Å; T87-R91 WeakPolarHBondContact O-CG 3.44Å; T87-R91 PolarHBondContact O-N 3.41Å; Q89-R91 VanDerWaalsContact C-N 3.34Å; Q89-R91 PolarHBondContact O-N 3.29Å; R91-L93 VanDerWaalsContact C-N 3.31Å; R91-L93 PolarHBondContact O-N 3.39Å; R91-R94 PolarHBondContact O-N 3.44Å; R91-N95 PolarHBondContact O-N 3.15Å; R91-N95 PolarHBondContact O-OD1 3.11Å
92I93.9Very high91.8Very high55 Ų5546 Ų4628%0.28223%0.228SC..Hα-helixtrans-63.1-41.2176.2-67.9166.2000110.3K88 Q89 E90 N95 K96 I345K88-I92 HydrophobicContact CG-CD1 4.17Å; K88-I92 WeakPolarHBondContact O-CG1 3.37Å; K88-I92 PolarHBondContact O-N 2.78Å; Q89-I92 PolarHBondContact O-N 3.14Å; E90-I92 VanDerWaalsContact C-N 3.35Å; E90-I92 PolarHBondContact O-N 3.47Å; I92-N95 PolarHBondContact O-N 2.97Å; I92-K96 HydrophobicContact CG2-CD 4.3Å; I92-K96 WeakPolarHBondContact O-CG 3.45Å; I92-K96 PolarHBondContact O-N 3.22Å; I92-I345 HydrophobicContact CD1-CD1 3.93Å; I92-I345 HydrophobicContact CG1-CD1 4.25Å
93L94.5Very high92.8Very high24 Ų2442.5 Ų42.513%0.12621%0.212CC..Hα-helixtrans-64.3-45.7178.1-174.164.5000111.6Q89 E90 R91 N95 K96 L97 L123 L133 I262Q89-L93 PolarHBondContact O-N 3.06Å; E90-L93 WeakPolarHBondContact O-CB 3.33Å; E90-L93 PolarHBondContact O-N 3.43Å; E90-L93 VanDerWaalsContact O-N 3.14Å; R91-L93 VanDerWaalsContact C-N 3.31Å; R91-L93 PolarHBondContact O-N 3.39Å; L93-N95 PolarHBondContact O-N 3.21Å; L93-K96 PolarHBondContact O-N 2.85Å; L93-L97 VanDerWaalsContact O-CB 3.27Å; L93-L97 WeakPolarHBondContact O-CB 3.48Å; L93-L97 PolarHBondContact O-N 3.45Å; L93-L123 HydrophobicContact CD2-CD2 3.71Å; L93-L123 HydrophobicContact CD2-CG 3.96Å; L93-L133 HydrophobicContact CB-CD1 4.36Å; L93-L133 HydrophobicContact CD2-CD1 3.81Å; L93-L133 HydrophobicContact CG-CD1 3.97Å; L93-I262 HydrophobicContact CD1-CD1 3.6Å; L93-I262 HydrophobicContact CD1-CG1 4.42Å
94R95.7Very high93.5Very high0 Ų040.4 Ų40.40%020%0.199CC..Hα-helixtrans-56.9-48175.2-74.6174.6171.3-87.3-3.1111.8E90 R91 K96 L97 A98 L133 A146 L149 D160E90-R94 HydrophobicContact CG-CG 4.28Å; E90-R94 WeakPolarHBondContact O-CG 3.36Å; E90-R94 PolarHBondContact O-N 3.14Å; E90-R94 IonicContact OE1-CZ 2.62Å; E90-R94 IonicContact OE1-NE 3.1Å; E90-R94 PolarHBondContact OE1-NE 3.16Å; E90-R94 IonicContact OE1-NH2 3.77Å; E90-R94 PolarHBondContact OE1-NH2 2.87Å; R91-R94 PolarHBondContact O-N 3.44Å; R94-K96 PolarHBondContact O-N 3.27Å; R94-L97 PolarHBondContact O-N 3.36Å; R94-A98 VanDerWaalsContact O-CB 3.27Å; R94-A98 WeakPolarHBondContact O-CB 3.15Å; R94-A98 PolarHBondContact O-N 3.46Å; R94-L133 HydrophobicContact CG-CD1 3.62Å; R94-L133 HydrophobicContact CG-CD2 4.49Å; R94-A146 HydrophobicContact CB-CB 3.89Å; R94-A146 WeakPolarHBondContact CD-O 3.19Å; R94-A146 PolarHBondContact NH1-O 3.31Å; R94-L149 HydrophobicContact CB-CD1 4.02Å; R94-L149 HydrophobicContact CG-CD1 4.19Å; R94-L149 PolarHBondContact NH1-O 3.11Å; R94-L149 VanDerWaalsContact O-CD1 3.32Å; R94-L149 WeakPolarHBondContact O-CD1 3.36Å; R94-D160 IonicContact NH2-OD2 2.68Å
95N96.6Very high94.1Very high25 Ų2537.1 Ų37.113%0.13417%0.174CC..Hα-helixtrans-60.4-46.2177.1-71.7-1.3000112.1R91 I92 L93 S99 A146R91-N95 PolarHBondContact O-N 3.15Å; R91-N95 PolarHBondContact O-OD1 3.11Å; I92-N95 PolarHBondContact O-N 2.97Å; L93-N95 PolarHBondContact O-N 3.21Å; N95-S99 WeakPolarHBondContact O-CB 3.3Å; N95-S99 PolarHBondContact O-N 3.21Å; N95-S99 PolarHBondContact O-OG 2.86Å; N95-A146 WeakPolarHBondContact OD1-CB 3.39Å
96K97.1Very high94.4Very high70 Ų7034.3 Ų34.330%0.30416%0.164SC..Hα-helixtrans-64.7-43.4178.8-75.6-175.8176.7-171.10111.9I92 L93 R94 S99 L100 I262 W328I92-K96 HydrophobicContact CG2-CD 4.3Å; I92-K96 WeakPolarHBondContact O-CG 3.45Å; I92-K96 PolarHBondContact O-N 3.22Å; L93-K96 PolarHBondContact O-N 2.85Å; R94-K96 PolarHBondContact O-N 3.27Å; K96-S99 WeakPolarHBondContact O-CB 3.49Å; K96-S99 PolarHBondContact O-N 2.66Å; K96-L100 PolarHBondContact O-N 2.88Å; K96-I262 HydrophobicContact CB-CD1 3.59Å; K96-W328 HydrophobicContact CB-CZ2 4.29Å; K96-W328 HydrophobicContact CG-CZ2 4.47Å; K96-W328 WeakPolarHBondContact O-CH2 3.46Å
97L97.1Very high94.6Very high0 Ų035.8 Ų35.80%017%0.171CC..Hα-helixtrans-67.5-45.7-178.9-171.264.7000110.9L93 R94 S99 L100 Y101 V119 L133 L149 I262L93-L97 VanDerWaalsContact O-CB 3.27Å; L93-L97 WeakPolarHBondContact O-CB 3.48Å; L93-L97 PolarHBondContact O-N 3.45Å; R94-L97 PolarHBondContact O-N 3.36Å; L97-S99 VanDerWaalsContact C-N 3.29Å; L97-S99 PolarHBondContact O-N 3.05Å; L97-L100 WeakPolarHBondContact O-CB 3.23Å; L97-L100 PolarHBondContact O-N 3.43Å; L97-Y101 HydrophobicContact CD1-CE2 4.32Å; L97-Y101 HydrophobicContact CD2-CE2 4.47Å; L97-Y101 HydrophobicContact CG-CD2 4.39Å; L97-Y101 HydrophobicContact CG-CE2 3.92Å; L97-Y101 WeakPolarHBondContact O-CD2 3.4Å; L97-Y101 PolarHBondContact O-N 2.83Å; L97-Y101 VanDerWaalsContact O-N 3.1Å; L97-V119 HydrophobicContact CD1-CB 4.49Å; L97-V119 HydrophobicContact CD1-CG1 3.58Å; L97-L133 HydrophobicContact CD2-CB 3.64Å; L97-L133 WeakPolarHBondContact CD2-O 3.11Å; L97-L149 HydrophobicContact CB-CD1 3.97Å; L97-L149 HydrophobicContact CD2-CD1 4.02Å; L97-L149 HydrophobicContact CD2-CD2 3.95Å; L97-L149 HydrophobicContact CG-CD1 4.22Å; L97-L149 HydrophobicContact CG-CD2 4.29Å; L97-I262 HydrophobicContact CB-CD1 4.06Å; L97-I262 HydrophobicContact CD1-CD1 4.33Å
98A97.2Very high94.7Very high0 Ų038.2 Ų38.20%018%0.176CC..Hα-helixtrans-61.5-37.1173.700000112I75 R94 L100 Y101 R102 I144 L149I75-A98 HydrophobicContact CG2-CB 3.66Å; R94-A98 VanDerWaalsContact O-CB 3.27Å; R94-A98 WeakPolarHBondContact O-CB 3.15Å; R94-A98 PolarHBondContact O-N 3.46Å; A98-L100 VanDerWaalsContact C-N 3.33Å; A98-L100 PolarHBondContact O-N 3.49Å; A98-Y101 PolarHBondContact O-N 3.43Å; A98-R102 WeakPolarHBondContact O-CG 3.41Å; A98-R102 PolarHBondContact O-N 2.78Å; A98-R102 VanDerWaalsContact O-N 3.15Å; A98-I144 HydrophobicContact CB-CG2 4.11Å; A98-L149 HydrophobicContact CB-CD1 4.23Å
99S97.8Very high94.8Very high1 Ų132.1 Ų32.11%0.00715%0.149CC..Hα-helixtrans-62.6-38.5172-55.20000112.5N95 K96 L97 R102 L103N95-S99 WeakPolarHBondContact O-CB 3.3Å; N95-S99 PolarHBondContact O-N 3.21Å; N95-S99 PolarHBondContact O-OG 2.86Å; K96-S99 WeakPolarHBondContact O-CB 3.49Å; K96-S99 PolarHBondContact O-N 2.66Å; L97-S99 VanDerWaalsContact C-N 3.29Å; L97-S99 PolarHBondContact O-N 3.05Å; S99-R102 PolarHBondContact O-N 3.06Å; S99-L103 WeakPolarHBondContact O-CG 3.16Å; S99-L103 PolarHBondContact O-N 3.32Å
100L97.6Very high94.7Very high0 Ų028.5 Ų28.50%014%0.135CC..Hα-helixtrans-62-44.2175.7175.655.6000111.4K96 L97 A98 R102 L103 I104 V119 I190 I262 F266 W328K96-L100 PolarHBondContact O-N 2.88Å; L97-L100 WeakPolarHBondContact O-CB 3.23Å; L97-L100 PolarHBondContact O-N 3.43Å; A98-L100 VanDerWaalsContact C-N 3.33Å; A98-L100 PolarHBondContact O-N 3.49Å; L100-R102 VanDerWaalsContact C-N 3.3Å; L100-R102 PolarHBondContact O-N 2.99Å; L100-L103 PolarHBondContact O-N 3.39Å; L100-L103 VanDerWaalsContact O-N 3.13Å; L100-I104 HydrophobicContact CD1-CD1 3.96Å; L100-I104 HydrophobicContact CD1-CG1 4.03Å; L100-I104 HydrophobicContact CG-CD1 3.95Å; L100-I104 HydrophobicContact CG-CG1 4.47Å; L100-I104 WeakPolarHBondContact O-CG1 3.4Å; L100-I104 PolarHBondContact O-N 3.39Å; L100-V119 HydrophobicContact CD2-CG1 3.44Å; L100-V119 VanDerWaalsContact CD2-CG1 3.44Å; L100-V119 HydrophobicContact CG-CG1 4.16Å; L100-I190 HydrophobicContact CD1-CD1 3.99Å; L100-I190 HydrophobicContact CD2-CD1 3.66Å; L100-I190 HydrophobicContact CD2-CG1 3.87Å; L100-I190 HydrophobicContact CG-CD1 4.37Å; L100-I262 HydrophobicContact CB-CG2 4.04Å; L100-I262 HydrophobicContact CD2-CG2 3.76Å; L100-I262 HydrophobicContact CG-CG2 4.45Å; L100-F266 HydrophobicContact CD1-CB 3.8Å; L100-F266 HydrophobicContact CD1-CD2 3.45Å; L100-F266 VanDerWaalsContact CD1-CD2 3.45Å; L100-F266 HydrophobicContact CD1-CE2 4.42Å; L100-F266 HydrophobicContact CD1-CG 3.87Å; L100-W328 HydrophobicContact CB-CH2 3.95Å; L100-W328 HydrophobicContact CB-CZ3 4.32Å; L100-W328 HydrophobicContact CD1-CZ3 4.3Å
101Y96.1Very high94.2Very high0 Ų030.9 Ų30.90%015%0.146CC..Hα-helixtrans-57-44173.3-76-78000112L97 A98 L103 I104 D105 V119 N135 Y141 I144 L149L97-Y101 HydrophobicContact CD1-CE2 4.32Å; L97-Y101 HydrophobicContact CD2-CE2 4.47Å; L97-Y101 HydrophobicContact CG-CD2 4.39Å; L97-Y101 HydrophobicContact CG-CE2 3.92Å; L97-Y101 WeakPolarHBondContact O-CD2 3.4Å; L97-Y101 PolarHBondContact O-N 2.83Å; L97-Y101 VanDerWaalsContact O-N 3.1Å; A98-Y101 PolarHBondContact O-N 3.43Å; Y101-L103 VanDerWaalsContact C-N 3.33Å; Y101-L103 PolarHBondContact O-N 3.26Å; Y101-I104 PolarHBondContact O-N 3.02Å; Y101-D105 PolarHBondContact O-N 2.78Å; Y101-V119 HydrophobicContact CD1-CG2 4.37Å; Y101-V119 HydrophobicContact CE1-CB 3.89Å; Y101-V119 HydrophobicContact CE1-CG2 3.89Å; Y101-V119 HydrophobicContact CE2-CB 4.12Å; Y101-V119 PolarHBondContact OH-O 3.14Å; Y101-N135 HydrophobicContact CE1-CB 3.71Å; Y101-N135 WeakPolarHBondContact CE1-OD1 3.34Å; Y101-N135 HydrophobicContact CE2-CB 4.18Å; Y101-N135 VanDerWaalsContact CZ-CB 3.48Å; Y101-N135 VanDerWaalsContact OH-CB 3.25Å; Y101-N135 WeakPolarHBondContact OH-CB 3.01Å; Y101-N135 PolarHBondContact OH-N 3.22Å; Y101-N135 PolarHBondContact OH-OD1 3.24Å; Y101-Y141 AromaticContact CD1-CD1 3.7Å; Y101-Y141 HydrophobicContact CD1-CD1 3.7Å; Y101-Y141 AromaticContact CD1-CD2 3.59Å; Y101-Y141 HydrophobicContact CD1-CD2 3.59Å; Y101-Y141 AromaticContact CD1-CE1 3.7Å; Y101-Y141 HydrophobicContact CD1-CE1 3.7Å; Y101-Y141 AromaticContact CD1-CE2 3.56Å; Y101-Y141 HydrophobicContact CD1-CE2 3.56Å; Y101-Y141 AromaticContact CD1-CG 3.65Å; Y101-Y141 HydrophobicContact CD1-CG 3.65Å; Y101-Y141 AromaticContact CD1-CZ 3.63Å; Y101-Y141 HydrophobicContact CE1-CD1 4.11Å; Y101-Y141 HydrophobicContact CE1-CD2 4.34Å; Y101-Y141 AromaticContact CE1-CE1 3.65Å; Y101-Y141 HydrophobicContact CE1-CE1 3.65Å; Y101-Y141 AromaticContact CE1-CE2 3.87Å; Y101-Y141 HydrophobicContact CE1-CE2 3.87Å; Y101-Y141 HydrophobicContact CE1-CG 4.44Å; Y101-Y141 AromaticContact CE1-CZ 3.51Å; Y101-I144 HydrophobicContact CD1-CG1 4.18Å; Y101-I144 HydrophobicContact CD2-CB 4.35Å; Y101-I144 HydrophobicContact CD2-CG1 4.42Å; Y101-I144 HydrophobicContact CD2-CG2 3.68Å; Y101-I144 HydrophobicContact CE2-CG2 4.32Å; Y101-I144 HydrophobicContact CG-CB 4.16Å; Y101-I144 HydrophobicContact CG-CG1 3.98Å; Y101-I144 HydrophobicContact CG-CG2 4Å; Y101-L149 HydrophobicContact CD2-CD2 4.32Å; Y101-L149 HydrophobicContact CE2-CD2 3.8Å
102R94.6Very high93.8Very high10 Ų1029.2 Ų29.24%0.03815%0.154CC..Hα-helixtrans-62.4-38.3175.8-60-43.8-175.8123.3-12.1112.7I75 A98 S99 L100 L106 Y141 H142 E143 I144 L335 Y340I75-R102 HydrophobicContact CD1-CB 4.25Å; I75-R102 HydrophobicContact CD1-CG 3.65Å; I75-R102 HydrophobicContact CG1-CG 3.69Å; A98-R102 WeakPolarHBondContact O-CG 3.41Å; A98-R102 PolarHBondContact O-N 2.78Å; A98-R102 VanDerWaalsContact O-N 3.15Å; S99-R102 PolarHBondContact O-N 3.06Å; L100-R102 VanDerWaalsContact C-N 3.3Å; L100-R102 PolarHBondContact O-N 2.99Å; R102-L106 WeakPolarHBondContact O-CB 3.42Å; R102-L106 PolarHBondContact O-N 2.96Å; R102-Y141 WeakPolarHBondContact CD-O 3.29Å; R102-H142 VanDerWaalsContact CZ-C 3.42Å; R102-H142 VanDerWaalsContact NH1-C 3.34Å; R102-H142 PolarHBondContact NH1-O 3.42Å; R102-H142 PolarHBondContact NH2-O 3.08Å; R102-H142 VanDerWaalsContact NH2-O 3.11Å; R102-E143 PolarHBondContact NH2-O 3.12Å; R102-I144 VanDerWaalsContact CZ-O 3.25Å; R102-I144 PolarHBondContact NE-O 2.8Å; R102-I144 PolarHBondContact NH2-O 3.02Å; R102-L335 HydrophobicContact CB-CD1 4.35Å; R102-L335 HydrophobicContact CB-CD2 4.22Å; R102-Y340 HydrophobicContact CG-CD1 4.26Å; R102-Y340 HydrophobicContact CG-CE1 4.48Å
103L96.1Very high93.3Very high0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-65.6-46.9175.4-71.3179.4000111.5S99 L100 Y101 D105 L106 F107 F266 W328 W331 M332 L335S99-L103 WeakPolarHBondContact O-CG 3.16Å; S99-L103 PolarHBondContact O-N 3.32Å; L100-L103 PolarHBondContact O-N 3.39Å; L100-L103 VanDerWaalsContact O-N 3.13Å; Y101-L103 VanDerWaalsContact C-N 3.33Å; Y101-L103 PolarHBondContact O-N 3.26Å; L103-D105 PolarHBondContact O-N 2.98Å; L103-L106 HydrophobicContact CD2-CD2 4.35Å; L103-L106 CarbonylContact O-C 3.53Å; L103-L106 WeakPolarHBondContact O-CA 2.91Å; L103-L106 WeakPolarHBondContact O-CB 3.43Å; L103-L106 PolarHBondContact O-N 2.86Å; L103-F107 HydrophobicContact CB-CD2 4.32Å; L103-F107 HydrophobicContact CB-CE2 4.04Å; L103-F107 HydrophobicContact CD2-CE2 4.3Å; L103-F107 WeakPolarHBondContact O-CD2 3.3Å; L103-F107 PolarHBondContact O-N 2.88Å; L103-F266 HydrophobicContact CB-CE2 4.2Å; L103-F266 HydrophobicContact CB-CZ 4.49Å; L103-F266 HydrophobicContact CD1-CD1 4.41Å; L103-F266 HydrophobicContact CD1-CE1 4.17Å; L103-F266 HydrophobicContact CD1-CE2 4.41Å; L103-F266 HydrophobicContact CD1-CZ 4.2Å; L103-W328 HydrophobicContact CD1-CE3 4.28Å; L103-W328 HydrophobicContact CD1-CH2 4.22Å; L103-W328 HydrophobicContact CD1-CZ3 3.79Å; L103-W331 HydrophobicContact CD1-CB 3.87Å; L103-W331 HydrophobicContact CD1-CG 4.36Å; L103-W331 HydrophobicContact CD2-CB 3.93Å; L103-W331 HydrophobicContact CD2-CD2 4.46Å; L103-W331 HydrophobicContact CD2-CE3 4.27Å; L103-W331 HydrophobicContact CD2-CG 4.34Å; L103-M332 HydrophobicContact CD1-CE 3.8Å; L103-M332 HydrophobicContact CG-CE 4.42Å; L103-L335 HydrophobicContact CD2-CD1 3.85Å; L103-L335 HydrophobicContact CD2-CD2 4.09Å; L103-L335 HydrophobicContact CD2-CG 3.89Å; L103-L335 HydrophobicContact CG-CD1 3.99Å
104I95.2Very high92.1Very high0 Ų035.7 Ų35.70%018%0.178CC..Hα-helixtrans-58.2-40.2178.6-67.5169.2000110.9L100 Y101 F107 Q108 W109 V119 Y141 I190 M192L100-I104 HydrophobicContact CD1-CD1 3.96Å; L100-I104 HydrophobicContact CD1-CG1 4.03Å; L100-I104 HydrophobicContact CG-CD1 3.95Å; L100-I104 HydrophobicContact CG-CG1 4.47Å; L100-I104 WeakPolarHBondContact O-CG1 3.4Å; L100-I104 PolarHBondContact O-N 3.39Å; Y101-I104 PolarHBondContact O-N 3.02Å; I104-F107 PolarHBondContact O-N 3.36Å; I104-Q108 PolarHBondContact O-N 2.87Å; I104-W109 HydrophobicContact CG1-CE3 4.17Å; I104-W109 HydrophobicContact CG2-CB 3.73Å; I104-W109 HydrophobicContact CG2-CE3 4.4Å; I104-W109 PolarHBondContact O-N 2.9Å; I104-V119 HydrophobicContact CD1-CG2 3.48Å; I104-V119 VanDerWaalsContact CD1-CG2 3.48Å; I104-Y141 HydrophobicContact CB-CD2 4.02Å; I104-Y141 HydrophobicContact CB-CE2 4.36Å; I104-Y141 HydrophobicContact CD1-CE2 4.36Å; I104-Y141 HydrophobicContact CG2-CD2 3.66Å; I104-Y141 HydrophobicContact CG2-CE2 3.76Å; I104-I190 HydrophobicContact CD1-CG2 4.36Å; I104-M192 HydrophobicContact CD1-CE 4.14Å; I104-M192 HydrophobicContact CD1-SD 4.35Å; I104-M192 HydrophobicContact CG2-SD 3.7Å
105D93Very high90.4Very high30 Ų3039.5 Ų39.516%0.1620%0.199CC..Hα-helixtrans-66.9-43.6173.8-16781.7000112.3Y101 L103 F107 Q108 S110 H142Y101-D105 PolarHBondContact O-N 2.78Å; L103-D105 PolarHBondContact O-N 2.98Å; D105-F107 VanDerWaalsContact C-N 3.27Å; D105-F107 PolarHBondContact O-N 3.01Å; D105-Q108 WeakPolarHBondContact O-CA 3.26Å; D105-Q108 PolarHBondContact O-N 2.96Å; D105-Q108 PolarHBondContact O-NE2 3.15Å; D105-S110 PolarHBondContact OD1-OG 3.17Å; D105-S110 VanDerWaalsContact OD1-OG 3.11Å; D105-H142 IonicContact OD1-ND1 2.91Å; D105-H142 WeakPolarHBondContact OD2-CB 3.35Å
106L93.3Very high89Confident63 Ų6341.9 Ų41.933%0.3321%0.208SC..Hα-helixtrans-58.9-37.8175.5-176.467000112.2R102 L103 Q108 V334 L335R102-L106 WeakPolarHBondContact O-CB 3.42Å; R102-L106 PolarHBondContact O-N 2.96Å; L103-L106 HydrophobicContact CD2-CD2 4.35Å; L103-L106 CarbonylContact O-C 3.53Å; L103-L106 WeakPolarHBondContact O-CA 2.91Å; L103-L106 WeakPolarHBondContact O-CB 3.43Å; L103-L106 PolarHBondContact O-N 2.86Å; L106-Q108 VanDerWaalsContact C-N 3.25Å; L106-Q108 PolarHBondContact O-N 2.75Å; L106-V334 HydrophobicContact CD2-CG1 4.38Å; L106-L335 HydrophobicContact CD2-CD2 4.49Å
107F94.2Very high88.3Confident45 Ų4539.2 Ų39.220%0.19720%0.198CC..THydrogen-bonded Turntrans-80.90.4174.6-65.4-64.7000114.2L103 I104 D105 W109 F266 Y270 W331L103-F107 HydrophobicContact CB-CD2 4.32Å; L103-F107 HydrophobicContact CB-CE2 4.04Å; L103-F107 HydrophobicContact CD2-CE2 4.3Å; L103-F107 WeakPolarHBondContact O-CD2 3.3Å; L103-F107 PolarHBondContact O-N 2.88Å; I104-F107 PolarHBondContact O-N 3.36Å; D105-F107 VanDerWaalsContact C-N 3.27Å; D105-F107 PolarHBondContact O-N 3.01Å; F107-W109 VanDerWaalsContact C-N 3.26Å; F107-W109 HydrophobicContact CB-CD2 3.94Å; F107-W109 HydrophobicContact CB-CG 4.07Å; F107-W109 HydrophobicContact CB-CZ2 4.03Å; F107-W109 HydrophobicContact CD2-CH2 4.41Å; F107-W109 HydrophobicContact CD2-CZ2 4.39Å; F107-W109 HydrophobicContact CG-CZ2 4.16Å; F107-W109 PolarHBondContact O-N 2.84Å; F107-F266 AromaticContact CD2-CE2 3.94Å; F107-F266 HydrophobicContact CD2-CE2 3.94Å; F107-F266 AromaticContact CD2-CZ 3.97Å; F107-F266 HydrophobicContact CD2-CZ 3.97Å; F107-F266 HydrophobicContact CE2-CE1 4.43Å; F107-F266 AromaticContact CE2-CE2 3.71Å; F107-F266 HydrophobicContact CE2-CE2 3.71Å; F107-F266 AromaticContact CE2-CZ 3.29Å; F107-F266 HydrophobicContact CE2-CZ 3.29Å; F107-F266 AromaticContact CZ-CZ 3.97Å; F107-F266 HydrophobicContact CZ-CZ 3.97Å; F107-Y270 HydrophobicContact CD1-CE2 4.16Å; F107-Y270 HydrophobicContact CE1-CD2 4.33Å; F107-Y270 AromaticContact CE1-CE2 3.72Å; F107-Y270 HydrophobicContact CE1-CE2 3.72Å; F107-Y270 HydrophobicContact CZ-CD2 4.35Å; F107-Y270 HydrophobicContact CZ-CE2 4.06Å; F107-W331 AromaticContact CE1-CH2 3.58Å; F107-W331 HydrophobicContact CE1-CH2 3.58Å; F107-W331 AromaticContact CE1-CZ2 3.86Å; F107-W331 HydrophobicContact CE1-CZ2 3.86Å; F107-W331 HydrophobicContact CE1-CZ3 4.04Å; F107-W331 AromaticContact CZ-CD2 3.91Å; F107-W331 HydrophobicContact CZ-CD2 3.91Å; F107-W331 AromaticContact CZ-CE2 3.67Å; F107-W331 AromaticContact CZ-CE3 3.85Å; F107-W331 HydrophobicContact CZ-CE3 3.85Å; F107-W331 AromaticContact CZ-CH2 3.4Å; F107-W331 HydrophobicContact CZ-CH2 3.4Å; F107-W331 AromaticContact CZ-CZ2 3.43Å; F107-W331 HydrophobicContact CZ-CZ2 3.43Å; F107-W331 VanDerWaalsContact CZ-CZ2 3.43Å; F107-W331 AromaticContact CZ-CZ3 3.6Å; F107-W331 HydrophobicContact CZ-CZ3 3.6Å
108Q91.4Very high87.9Confident138 Ų13839.5 Ų39.565%0.64520%0.2SC*.THydrogen-bonded Turntrans59.435.7179.2-56.2-70.7-65.400112.9I104 D105 L106I104-Q108 PolarHBondContact O-N 2.87Å; D105-Q108 WeakPolarHBondContact O-CA 3.26Å; D105-Q108 PolarHBondContact O-N 2.96Å; D105-Q108 PolarHBondContact O-NE2 3.15Å; L106-Q108 VanDerWaalsContact C-N 3.25Å; L106-Q108 PolarHBondContact O-N 2.75Å
109W92.7Very high87.7Confident18 Ų1839.5 Ų39.57%0.06820%0.2CC..  trans-89.6-21.4175.9-64-6.1000112.5I104 F107 T194 F266 A269 Y270 V273I104-W109 HydrophobicContact CG1-CE3 4.17Å; I104-W109 HydrophobicContact CG2-CB 3.73Å; I104-W109 HydrophobicContact CG2-CE3 4.4Å; I104-W109 PolarHBondContact O-N 2.9Å; F107-W109 VanDerWaalsContact C-N 3.26Å; F107-W109 HydrophobicContact CB-CD2 3.94Å; F107-W109 HydrophobicContact CB-CG 4.07Å; F107-W109 HydrophobicContact CB-CZ2 4.03Å; F107-W109 HydrophobicContact CD2-CH2 4.41Å; F107-W109 HydrophobicContact CD2-CZ2 4.39Å; F107-W109 HydrophobicContact CG-CZ2 4.16Å; F107-W109 PolarHBondContact O-N 2.84Å; W109-T194 HydrophobicContact CB-CG2 3.68Å; W109-T194 HydrophobicContact CD2-CG2 4.41Å; W109-T194 HydrophobicContact CG-CG2 3.69Å; W109-F266 AromaticContact CH2-CE2 3.95Å; W109-F266 HydrophobicContact CH2-CE2 3.95Å; W109-F266 HydrophobicContact CZ3-CD2 4.35Å; W109-F266 AromaticContact CZ3-CE2 3.96Å; W109-F266 HydrophobicContact CZ3-CE2 3.96Å; W109-A269 HydrophobicContact CZ3-CB 4.15Å; W109-Y270 VanDerWaalsContact CH2-CA 3.47Å; W109-Y270 AromaticContact CH2-CD2 3.88Å; W109-Y270 HydrophobicContact CH2-CD2 3.88Å; W109-Y270 HydrophobicContact CH2-CG 4.38Å; W109-Y270 AromaticContact CZ2-CD2 3.84Å; W109-Y270 HydrophobicContact CZ2-CD2 3.84Å; W109-V273 HydrophobicContact CD2-CG2 4.28Å; W109-V273 HydrophobicContact CH2-CG2 4.49Å; W109-V273 HydrophobicContact CZ2-CB 4.09Å; W109-V273 HydrophobicContact CZ2-CG1 4.4Å; W109-V273 HydrophobicContact CZ2-CG2 3.99Å
110S88Confident87.5Confident26 Ų2639.5 Ų39.518%0.18220%0.2CC..  trans-66.8142.8172.851.40000110.8D105D105-S110 PolarHBondContact OD1-OG 3.17Å; D105-S110 VanDerWaalsContact OD1-OG 3.11Å
111Q83.5Confident87.3Confident63 Ų6339.5 Ų39.529%0.29420%0.2SC..  trans-129.980.3177.7-69.7178.67.800110.2Y114 N115 H193Q111-Y114 VanDerWaalsContact O-O 3.1Å; Q111-N115 PolarHBondContact OE1-ND2 3.21Å; Q111-N115 VanDerWaalsContact OE1-ND2 3.15Å; Q111-H193 PolarHBondContact NE2-O 3.36Å
112G84.5Confident87.1Confident45 Ų4540.2 Ų40.246%0.46420%0.202SC..SBendtrans62.3-154.8-174.400000112.5
113I83Confident86.7Confident57 Ų5741.1 Ų41.129%0.29221%0.208SC..SBendtrans-97-12.8176.563.1172.5000113F137 L140I113-F137 WeakPolarHBondContact O-CE2 3.36Å; I113-L140 HydrophobicContact CG2-CD2 3.55Å; I113-L140 HydrophobicContact CG2-CG 3.87Å
114Y69.1Low85.6Confident158 Ų15846.8 Ų46.862%0.6223%0.232SC*.  trans-96.4-179.7178.9-58.9-68.3000109.8Q111 F137Q111-Y114 VanDerWaalsContact O-O 3.1Å; Y114-F137 HydrophobicContact CD1-CZ 4.18Å; Y114-F137 HydrophobicContact CE1-CZ 4.16Å
115N60.1Low84.1Confident81 Ų8154.9 Ų54.943%0.43326%0.263SS..SBendtrans67.2136-167.8-51.2-18.8000109.7Q111 N117Q111-N115 PolarHBondContact OE1-ND2 3.21Å; Q111-N115 VanDerWaalsContact OE1-ND2 3.15Å; N115-N117 PolarHBondContact O-N 3.36Å
116H68.3Low82.2Confident74 Ų7459.4 Ų59.434%0.34329%0.287SS..SBendtrans-66.123.5-168.9-55-80.6000114.8S118 A172 H191 H193 H253H116-S118 PolarHBondContact O-N 2.91Å; H116-S118 PolarHBondContact O-OG 3.01Å; H116-S118 VanDerWaalsContact O-OG 3.07Å; H116-A172 HydrophobicContact CB-CB 4.14Å; H116-H191 PolarHBondContact O-CD2 3.21Å; H116-H193 PolarHBondContact N-CE1 2.86Å; H116-H253 AromaticContact CD2-NE2 3.95Å
117N82Confident80Confident14 Ų1466.5 Ų66.58%0.07532%0.319CS..  trans-51.7111.3168.4-65.9-35.8000109.7N115 Y141 H191 M192 H193N115-N117 PolarHBondContact O-N 3.36Å; N117-Y141 PolarHBondContact O-OH 2.91Å; N117-H191 VanDerWaalsContact CA-O 3.29Å; N117-H191 WeakPolarHBondContact CA-O 3.33Å; N117-M192 HydrophobicContact CB-CE 3.97Å; N117-M192 HydrophobicContact CB-SD 4.15Å; N117-M192 VanDerWaalsContact OD1-CA 3.3Å; N117-M192 WeakPolarHBondContact OD1-CA 3.49Å; N117-H193 PolarHBondContact OD1-N 2.99Å
118S89.3Confident77.9Confident6 Ų667.1 Ų67.14%0.04234%0.337CS..EExtended strand (participates in β ladder)trans-142.4143.6-176.647.30000110.5H116 H176 H191H116-S118 PolarHBondContact O-N 2.91Å; H116-S118 PolarHBondContact O-OG 3.01Å; H116-S118 VanDerWaalsContact O-OG 3.07Å; S118-H176 WeakPolarHBondContact CB-NE2 3.06Å; S118-H176 PolarHBondContact O-CE1 3.3Å; S118-H176 PolarHBondContact OG-CD2 3.44Å; S118-H176 PolarHBondContact OG-NE2 3.47Å; S118-H191 PolarHBondContact N-O 3.04Å; S118-H191 PolarHBondContact O-N 3.33Å
119V91.3Very high76.5Confident0 Ų063 Ų630%033%0.332CS..EExtended strand (participates in β ladder)trans-127.2138.3172.9-1730000106.9L97 L100 Y101 I104 T134 I189 I190 M192L97-V119 HydrophobicContact CD1-CB 4.49Å; L97-V119 HydrophobicContact CD1-CG1 3.58Å; L100-V119 HydrophobicContact CD2-CG1 3.44Å; L100-V119 VanDerWaalsContact CD2-CG1 3.44Å; L100-V119 HydrophobicContact CG-CG1 4.16Å; Y101-V119 HydrophobicContact CD1-CG2 4.37Å; Y101-V119 HydrophobicContact CE1-CB 3.89Å; Y101-V119 HydrophobicContact CE1-CG2 3.89Å; Y101-V119 HydrophobicContact CE2-CB 4.12Å; Y101-V119 PolarHBondContact OH-O 3.14Å; I104-V119 HydrophobicContact CD1-CG2 3.48Å; I104-V119 VanDerWaalsContact CD1-CG2 3.48Å; V119-T134 PolarHBondContact O-OG1 3.1Å; V119-T134 VanDerWaalsContact O-OG1 3.09Å; V119-I189 CarbonylContact C-O 3.6Å; V119-I189 VanDerWaalsContact CA-O 3.3Å; V119-I189 WeakPolarHBondContact CA-O 3.43Å; V119-I190 HydrophobicContact CG1-CG1 4.05Å; V119-I190 HydrophobicContact CG2-CG1 4.48Å; V119-M192 HydrophobicContact CG2-CE 3.66Å
120S94.1Very high75.9Confident1 Ų164.9 Ų64.91%0.00734%0.343CS..EExtended strand (participates in β ladder)trans-140.5153.4170.469.70000112.1L133 H176 Y180 C188 I189S120-L133 CarbonylContact C-O 3.57Å; S120-L133 WeakPolarHBondContact CA-O 3.47Å; S120-L133 VanDerWaalsContact CB-O 3.28Å; S120-L133 WeakPolarHBondContact CB-O 3.43Å; S120-H176 PolarHBondContact OG-ND1 3.35Å; S120-Y180 PolarHBondContact O-OH 2.91Å; S120-Y180 WeakPolarHBondContact OG-CE2 3.45Å; S120-Y180 PolarHBondContact OG-OH 3.5Å; S120-C188 VanDerWaalsContact O-CA 3.27Å; S120-C188 WeakPolarHBondContact O-CA 3.43Å; S120-C188 PolarHBondContact O-SG 3.04Å; S120-C188 VanDerWaalsContact O-SG 3.36Å; S120-I189 PolarHBondContact N-O 2.81Å; S120-I189 PolarHBondContact O-N 3.21Å; S120-I189 VanDerWaalsContact O-N 3.08Å
121G93.7Very high76.1Confident0 Ų064.3 Ų64.30%034%0.339CS..EExtended strand (participates in β ladder)trans-124.1122.8174.800000110.8V132 L133 R187G121-V132 WeakPolarHBondContact O-CA 3.46Å; G121-L133 PolarHBondContact N-O 3.49Å; G121-L133 PolarHBondContact O-N 3.4Å; G121-R187 CarbonylContact C-O 3.59Å; G121-R187 WeakPolarHBondContact CA-O 3.25Å
122R92Very high76.5Confident16 Ų1661.3 Ų61.36%0.0633%0.325CS..EExtended strand (participates in β ladder)trans-77.3131.8175.1-174.3-170.8-73.4176.1-17.8111Y180 R183 S184 V186 R187R122-Y180 HydrophobicContact CB-CE1 3.94Å; R122-Y180 VanDerWaalsContact NH2-CG 3.28Å; R122-Y180 PolarHBondContact NH2-O 2.9Å; R122-R183 PolarHBondContact NH1-O 3.33Å; R122-R183 PolarHBondContact NH2-O 3.22Å; R122-S184 PolarHBondContact NH1-O 3.41Å; R122-V186 PolarHBondContact NH1-O 3.08Å; R122-V186 VanDerWaalsContact NH1-O 3.09Å; R122-R187 PolarHBondContact N-O 2.9Å
123L86.4Confident77Confident28 Ų2859.2 Ų59.215%0.14730%0.303CS..PPolyproline II helixtrans-69.6155.5173.9-78157.1000112E90 L93 R125 V131 L133 K151 R187E90-L123 HydrophobicContact CB-CD2 3.79Å; E90-L123 HydrophobicContact CG-CD2 3.91Å; L93-L123 HydrophobicContact CD2-CD2 3.71Å; L93-L123 HydrophobicContact CD2-CG 3.96Å; L123-R125 PolarHBondContact O-N 2.93Å; L123-V131 HydrophobicContact CD1-CB 4.35Å; L123-V131 HydrophobicContact CD1-CG1 3.83Å; L123-V131 PolarHBondContact N-O 2.86Å; L123-L133 HydrophobicContact CD1-CG 4.4Å; L123-L133 HydrophobicContact CD2-CD1 4.5Å; L123-K151 HydrophobicContact CD1-CD 4.27Å; L123-K151 HydrophobicContact CD1-CG 4.27Å; L123-R187 PolarHBondContact O-NH1 2.75Å
124F72.1Confident77.6Confident119 Ų11957 Ų5752%0.52229%0.292SS..PPolyproline II helixtrans-61.4135.6170.6-72.2-83.1000109.2D126F124-D126 PolarHBondContact O-N 3.48Å
125R64.2Low78.7Confident171 Ų17150.3 Ų50.365%0.64527%0.267SS*.SBendtrans-69.283.2178.9-88.1-174162-161.2-5.6107.8L123 D130L123-R125 PolarHBondContact O-N 2.93Å; R125-D130 IonicContact CZ-OD1 2.74Å; R125-D130 IonicContact NE-OD1 2.7Å; R125-D130 IonicContact NH2-OD1 3.03Å; R125-D130 PolarHBondContact NH2-OD1 3.49Å; R125-D130 VanDerWaalsContact NH2-OD1 3.11Å
126D53Low80.3Confident124 Ų12446.5 Ų46.566%0.66325%0.247SC*.SBendtrans-131.8119.5163.7-77-36000107.8F124 G128F124-D126 PolarHBondContact O-N 3.48Å; D126-G128 PolarHBondContact O-N 3.16Å; D126-G128 VanDerWaalsContact O-N 3.12Å
127E46.6Very low81.5Confident213 Ų21346.6 Ų46.6100%0.99525%0.246SC*.SBendtrans64.9-3.9168-56-172.5167.300120.8
128G51.6Low81.9Confident57 Ų5747.6 Ų47.659%0.58826%0.26SS*.SBendtrans-133.92.7-172.500000119.7D126D126-G128 PolarHBondContact O-N 3.16Å; D126-G128 VanDerWaalsContact O-N 3.12Å
129G61Low82.1Confident51 Ų5149 Ų4953%0.52627%0.267SS..  trans79.3-160.6179.700000115V131G129-V131 PolarHBondContact O-N 3.23Å
130D80.8Confident82.2Confident59 Ų5951.8 Ų51.832%0.31628%0.281SS..SBendtrans-77.589.4-169.5-69.1-28.4000111.8R125 N153 F154R125-D130 IonicContact CZ-OD1 2.74Å; R125-D130 IonicContact NE-OD1 2.7Å; R125-D130 IonicContact NH2-OD1 3.03Å; R125-D130 PolarHBondContact NH2-OD1 3.49Å; R125-D130 VanDerWaalsContact NH2-OD1 3.11Å; D130-N153 CarbonylContact O-C 3.56Å; D130-N153 WeakPolarHBondContact O-CA 3.38Å; D130-F154 HydrophobicContact CB-CB 4.24Å; D130-F154 HydrophobicContact CB-CD1 3.71Å; D130-F154 HydrophobicContact CB-CD2 3.45Å; D130-F154 VanDerWaalsContact CB-CD2 3.45Å; D130-F154 HydrophobicContact CB-CE1 3.71Å; D130-F154 HydrophobicContact CB-CE2 3.5Å; D130-F154 VanDerWaalsContact CB-CE2 3.5Å; D130-F154 HydrophobicContact CB-CG 3.55Å; D130-F154 HydrophobicContact CB-CZ 3.59Å; D130-F154 WeakPolarHBondContact O-CD1 3.13Å; D130-F154 PolarHBondContact O-N 2.98Å
131V90.9Very high82.1Confident13 Ų1352.2 Ų52.28%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-122.8140.5-173.9-175.10000111.9L123 G129 K151 V152 L159L123-V131 HydrophobicContact CD1-CB 4.35Å; L123-V131 HydrophobicContact CD1-CG1 3.83Å; L123-V131 PolarHBondContact N-O 2.86Å; G129-V131 PolarHBondContact O-N 3.23Å; V131-K151 HydrophobicContact CG1-CD 3.93Å; V131-K151 HydrophobicContact CG1-CG 3.38Å; V131-V152 WeakPolarHBondContact CA-O 3.44Å; V131-V152 WeakPolarHBondContact CG1-O 3.31Å; V131-L159 HydrophobicContact CG1-CD1 3.92Å; V131-L159 HydrophobicContact CG2-CD1 3.7Å
132V93.7Very high82Confident1 Ų155.9 Ų55.91%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-130.1153.8178.1-49.40000111.7G121 K151 V152 F154 Y173 Y180G121-V132 WeakPolarHBondContact O-CA 3.46Å; V132-K151 WeakPolarHBondContact O-CA 3.32Å; V132-V152 PolarHBondContact N-O 3.45Å; V132-V152 PolarHBondContact O-N 3.46Å; V132-F154 HydrophobicContact CG1-CD1 4.14Å; V132-F154 HydrophobicContact CG1-CE1 3.56Å; V132-Y173 HydrophobicContact CG2-CE2 3.44Å; V132-Y173 VanDerWaalsContact CG2-CE2 3.44Å; V132-Y173 VanDerWaalsContact CG2-OH 3.24Å; V132-Y173 WeakPolarHBondContact CG2-OH 3.35Å; V132-Y180 HydrophobicContact CB-CE2 4.32Å; V132-Y180 HydrophobicContact CG1-CD2 3.71Å; V132-Y180 HydrophobicContact CG1-CE2 3.5Å
133L94.6Very high82.1Confident0 Ų058.6 Ų58.60%031%0.313CS..EExtended strand (participates in β ladder)trans-100.6138.6165.8-64.7170.8000109.3E90 L93 R94 L97 S120 G121 L123 V150 K151E90-L133 HydrophobicContact CG-CD1 4.48Å; L93-L133 HydrophobicContact CB-CD1 4.36Å; L93-L133 HydrophobicContact CD2-CD1 3.81Å; L93-L133 HydrophobicContact CG-CD1 3.97Å; R94-L133 HydrophobicContact CG-CD1 3.62Å; R94-L133 HydrophobicContact CG-CD2 4.49Å; L97-L133 HydrophobicContact CD2-CB 3.64Å; L97-L133 WeakPolarHBondContact CD2-O 3.11Å; S120-L133 CarbonylContact C-O 3.57Å; S120-L133 WeakPolarHBondContact CA-O 3.47Å; S120-L133 VanDerWaalsContact CB-O 3.28Å; S120-L133 WeakPolarHBondContact CB-O 3.43Å; G121-L133 PolarHBondContact N-O 3.49Å; G121-L133 PolarHBondContact O-N 3.4Å; L123-L133 HydrophobicContact CD1-CG 4.4Å; L123-L133 HydrophobicContact CD2-CD1 4.5Å; L133-V150 VanDerWaalsContact CA-O 3.29Å; L133-V150 WeakPolarHBondContact CA-O 3.49Å; L133-K151 HydrophobicContact CD2-CB 3.86Å; L133-K151 HydrophobicContact CD2-CG 4.14Å
134T94.7Very high82.5Confident11 Ų1157.2 Ų57.27%0.06731%0.306CS..EExtended strand (participates in β ladder)trans-147.3172.3176.6-171.60000110.5V119 L149 V150 I168V119-T134 PolarHBondContact O-OG1 3.1Å; V119-T134 VanDerWaalsContact O-OG1 3.09Å; T134-L149 WeakPolarHBondContact O-CD2 3.4Å; T134-V150 HydrophobicContact CG2-CG2 3.61Å; T134-V150 PolarHBondContact N-O 2.73Å; T134-V150 VanDerWaalsContact N-O 3.08Å; T134-V150 WeakPolarHBondContact O-CG2 3.38Å; T134-V150 PolarHBondContact O-N 3.26Å; T134-I168 HydrophobicContact CG2-CG2 3.53Å
135N93.5Very high83.6Confident18 Ų1852 Ų5210%0.09628%0.284CS..PPolyproline II helixtrans-72.8145174.761.4-73.9000111.4Y101 I144Y101-N135 HydrophobicContact CE1-CB 3.71Å; Y101-N135 WeakPolarHBondContact CE1-OD1 3.34Å; Y101-N135 HydrophobicContact CE2-CB 4.18Å; Y101-N135 VanDerWaalsContact CZ-CB 3.48Å; Y101-N135 VanDerWaalsContact OH-CB 3.25Å; Y101-N135 WeakPolarHBondContact OH-CB 3.01Å; Y101-N135 PolarHBondContact OH-N 3.22Å; Y101-N135 PolarHBondContact OH-OD1 3.24Å; N135-I144 HydrophobicContact CB-CD1 3.77Å; N135-I144 HydrophobicContact CB-CG1 4.47Å
136P93.5Very high85.2Confident0 Ų043.9 Ų43.90%025%0.253CS..PPolyproline II helixtrans-61.9140.3161.926.3-33.2000110.1L139 I144 S148 V150 S164 L166 G167P136-L139 HydrophobicContact CG-CB 4.37Å; P136-L139 HydrophobicContact CG-CD1 3.51Å; P136-L139 HydrophobicContact CG-CG 3.87Å; P136-I144 HydrophobicContact CG-CD1 4.38Å; P136-S148 VanDerWaalsContact CD-O 3.25Å; P136-S148 WeakPolarHBondContact CD-O 3.45Å; P136-S148 WeakPolarHBondContact CG-O 3.15Å; P136-V150 HydrophobicContact CB-CG1 4.05Å; P136-S164 WeakPolarHBondContact CB-OG 3.27Å; P136-L166 HydrophobicContact CB-CB 3.69Å; P136-L166 HydrophobicContact CB-CD1 4.3Å; P136-G167 CarbonylContact C-O 3.55Å; P136-G167 WeakPolarHBondContact CA-O 3.49Å
137F93Very high87.2Confident76 Ų7638.4 Ų38.433%0.33323%0.225SC..THydrogen-bonded Turntrans-75.8123.8173.3-175.9-115.6000110I113 Y114 G167 N169I113-F137 WeakPolarHBondContact O-CE2 3.36Å; Y114-F137 HydrophobicContact CD1-CZ 4.18Å; Y114-F137 HydrophobicContact CE1-CZ 4.16Å; F137-G167 PolarHBondContact N-O 3.08Å; F137-N169 HydrophobicContact CB-CB 4.43Å; F137-N169 HydrophobicContact CD2-CB 3.81Å; F137-N169 HydrophobicContact CE2-CB 4.35Å; F137-N169 HydrophobicContact CG-CB 4.21Å
138G91Very high89.5Confident36 Ų3628.5 Ų28.537%0.37118%0.179SC..THydrogen-bonded Turntrans117.8-11.9-178.400000114.9
139L92.3Very high91.6Very high34 Ų3425.8 Ų25.818%0.17815%0.151CC..  trans-95.8142.3172.5-62.3-170.2000111.5P136 E143 I144 L166P136-L139 HydrophobicContact CG-CB 4.37Å; P136-L139 HydrophobicContact CG-CD1 3.51Å; P136-L139 HydrophobicContact CG-CG 3.87Å; L139-E143 HydrophobicContact CB-CB 4.33Å; L139-I144 HydrophobicContact CB-CD1 3.78Å; L139-I144 HydrophobicContact CD1-CD1 4.15Å; L139-L166 HydrophobicContact CD2-CD1 4.04Å; L139-L166 HydrophobicContact CG-CD1 4.05Å
140L92.8Very high93.2Very high59 Ų5923.3 Ų23.331%0.30913%0.126SC..  trans-73.1156.9166.4-67.6167.5000110.3I113 H142 E143I113-L140 HydrophobicContact CG2-CD2 3.55Å; I113-L140 HydrophobicContact CG2-CG 3.87Å; L140-H142 WeakPolarHBondContact CD1-CE1 3.46Å; L140-H142 PolarHBondContact O-N 3.34Å; L140-E143 HydrophobicContact CB-CG 4.27Å; L140-E143 PolarHBondContact N-OE2 3.34Å; L140-E143 WeakPolarHBondContact O-CB 3.33Å; L140-E143 PolarHBondContact O-N 2.67Å
141Y93.1Very high93.8Very high10 Ų1022.2 Ų22.24%0.03912%0.118CC..THydrogen-bonded Turntrans-66.9-26.9-174.2-79.119.5000112.8Y101 R102 I104 N117 E143 I144 M192Y101-Y141 AromaticContact CD1-CD1 3.7Å; Y101-Y141 HydrophobicContact CD1-CD1 3.7Å; Y101-Y141 AromaticContact CD1-CD2 3.59Å; Y101-Y141 HydrophobicContact CD1-CD2 3.59Å; Y101-Y141 AromaticContact CD1-CE1 3.7Å; Y101-Y141 HydrophobicContact CD1-CE1 3.7Å; Y101-Y141 AromaticContact CD1-CE2 3.56Å; Y101-Y141 HydrophobicContact CD1-CE2 3.56Å; Y101-Y141 AromaticContact CD1-CG 3.65Å; Y101-Y141 HydrophobicContact CD1-CG 3.65Å; Y101-Y141 AromaticContact CD1-CZ 3.63Å; Y101-Y141 HydrophobicContact CE1-CD1 4.11Å; Y101-Y141 HydrophobicContact CE1-CD2 4.34Å; Y101-Y141 AromaticContact CE1-CE1 3.65Å; Y101-Y141 HydrophobicContact CE1-CE1 3.65Å; Y101-Y141 AromaticContact CE1-CE2 3.87Å; Y101-Y141 HydrophobicContact CE1-CE2 3.87Å; Y101-Y141 HydrophobicContact CE1-CG 4.44Å; Y101-Y141 AromaticContact CE1-CZ 3.51Å; R102-Y141 WeakPolarHBondContact CD-O 3.29Å; I104-Y141 HydrophobicContact CB-CD2 4.02Å; I104-Y141 HydrophobicContact CB-CE2 4.36Å; I104-Y141 HydrophobicContact CD1-CE2 4.36Å; I104-Y141 HydrophobicContact CG2-CD2 3.66Å; I104-Y141 HydrophobicContact CG2-CE2 3.76Å; N117-Y141 PolarHBondContact O-OH 2.91Å; Y141-E143 PolarHBondContact O-N 3.46Å; Y141-I144 PolarHBondContact O-N 3.27Å; Y141-M192 HydrophobicContact CE2-CE 3.94Å; Y141-M192 HydrophobicContact CE2-SD 4.38Å
142H91.5Very high93.9Very high78 Ų7821.7 Ų21.736%0.36112%0.115SC..THydrogen-bonded Turntrans-76.62.2169.667-101.8000114.7R102 D105 L140R102-H142 VanDerWaalsContact CZ-C 3.42Å; R102-H142 VanDerWaalsContact NH1-C 3.34Å; R102-H142 PolarHBondContact NH1-O 3.42Å; R102-H142 PolarHBondContact NH2-O 3.08Å; R102-H142 VanDerWaalsContact NH2-O 3.11Å; D105-H142 IonicContact OD1-ND1 2.91Å; D105-H142 WeakPolarHBondContact OD2-CB 3.35Å; L140-H142 WeakPolarHBondContact CD1-CE1 3.46Å; L140-H142 PolarHBondContact O-N 3.34Å
143E93.1Very high93.7Very high72 Ų7222.9 Ų22.934%0.33612%0.122SC..THydrogen-bonded Turntrans-104.1-17.8174-60.6177.5117.300111.4R102 L139 L140 Y141 T145R102-E143 PolarHBondContact NH2-O 3.12Å; L139-E143 HydrophobicContact CB-CB 4.33Å; L140-E143 HydrophobicContact CB-CG 4.27Å; L140-E143 PolarHBondContact N-OE2 3.34Å; L140-E143 WeakPolarHBondContact O-CB 3.33Å; L140-E143 PolarHBondContact O-N 2.67Å; Y141-E143 PolarHBondContact O-N 3.46Å; E143-T145 PolarHBondContact O-N 2.8Å
144I95.3Very high93.5Very high0 Ų023.8 Ų23.80%013%0.125CC..  trans-63.2130.4-175.7-54.9-59.2000111.7A98 Y101 R102 N135 P136 L139 Y141 L149A98-I144 HydrophobicContact CB-CG2 4.11Å; Y101-I144 HydrophobicContact CD1-CG1 4.18Å; Y101-I144 HydrophobicContact CD2-CB 4.35Å; Y101-I144 HydrophobicContact CD2-CG1 4.42Å; Y101-I144 HydrophobicContact CD2-CG2 3.68Å; Y101-I144 HydrophobicContact CE2-CG2 4.32Å; Y101-I144 HydrophobicContact CG-CB 4.16Å; Y101-I144 HydrophobicContact CG-CG1 3.98Å; Y101-I144 HydrophobicContact CG-CG2 4Å; R102-I144 VanDerWaalsContact CZ-O 3.25Å; R102-I144 PolarHBondContact NE-O 2.8Å; R102-I144 PolarHBondContact NH2-O 3.02Å; N135-I144 HydrophobicContact CB-CD1 3.77Å; N135-I144 HydrophobicContact CB-CG1 4.47Å; P136-I144 HydrophobicContact CG-CD1 4.38Å; L139-I144 HydrophobicContact CB-CD1 3.78Å; L139-I144 HydrophobicContact CD1-CD1 4.15Å; Y141-I144 PolarHBondContact O-N 3.27Å; I144-L149 HydrophobicContact CG2-CD2 3.94Å; I144-L149 HydrophobicContact CG2-CG 4.31Å
145T96.1Very high93Very high9 Ų928.9 Ų28.96%0.05516%0.157CC..  trans-127.8172.6173.969.20000110.5L73 P74 D77 E143 S147 S148 L149L73-T145 HydrophobicContact CB-CG2 4.33Å; P74-T145 WeakPolarHBondContact O-CG2 3.44Å; D77-T145 VanDerWaalsContact CG-CB 3.44Å; D77-T145 PolarHBondContact OD1-OG1 3.43Å; D77-T145 WeakPolarHBondContact OD2-CB 3.12Å; D77-T145 PolarHBondContact OD2-OG1 2.73Å; E143-T145 PolarHBondContact O-N 2.8Å; T145-S147 VanDerWaalsContact C-N 3.29Å; T145-S147 PolarHBondContact O-N 3.26Å; T145-S147 PolarHBondContact OG1-OG 3.39Å; T145-S148 PolarHBondContact N-OG 2.87Å; T145-S148 PolarHBondContact O-N 3.46Å; T145-S148 PolarHBondContact O-OG 3.13Å; T145-S148 VanDerWaalsContact O-OG 3.12Å; T145-S148 PolarHBondContact OG1-N 3.49Å; T145-L149 PolarHBondContact O-N 2.68Å
146A96.2Very high92.6Very high0 Ų029.6 Ų29.60%017%0.169CC..THydrogen-bonded Turntrans-63.3-36.5177.700000112.4I75 D77 L78 R94 N95I75-A146 VanDerWaalsContact O-CB 3.26Å; I75-A146 WeakPolarHBondContact O-CB 3.41Å; I75-A146 PolarHBondContact O-N 2.93Å; D77-A146 PolarHBondContact OD1-N 2.76Å; L78-A146 HydrophobicContact CD1-CB 4Å; L78-A146 HydrophobicContact CG-CB 4Å; R94-A146 HydrophobicContact CB-CB 3.89Å; R94-A146 WeakPolarHBondContact CD-O 3.19Å; R94-A146 PolarHBondContact NH1-O 3.31Å; N95-A146 WeakPolarHBondContact OD1-CB 3.39Å
147S95.6Very high92.4Very high10 Ų1035.2 Ų35.27%0.0720%0.195CC..THydrogen-bonded Turntrans-71.3-33.4175.777.40000112.8D77 T145 L149 G162 S163D77-S147 WeakPolarHBondContact OD1-CB 3.35Å; D77-S147 PolarHBondContact OD1-N 3.23Å; D77-S147 WeakPolarHBondContact OD2-CB 3.29Å; D77-S147 PolarHBondContact OD2-OG 2.92Å; T145-S147 VanDerWaalsContact C-N 3.29Å; T145-S147 PolarHBondContact O-N 3.26Å; T145-S147 PolarHBondContact OG1-OG 3.39Å; S147-L149 VanDerWaalsContact C-N 3.31Å; S147-L149 PolarHBondContact O-N 2.88Å; S147-G162 CarbonylContact O-C 3.59Å; S147-G162 VanDerWaalsContact O-CA 3.24Å; S147-G162 WeakPolarHBondContact O-CA 3.39Å; S147-S163 VanDerWaalsContact C-OG 3.3Å; S147-S163 PolarHBondContact O-N 3.44Å; S147-S163 PolarHBondContact O-OG 3.46Å; S147-S163 WeakPolarHBondContact OG-CB 3.2Å; S147-S163 PolarHBondContact OG-OG 2.99Å
148S95.3Very high92.3Very high4 Ų435.1 Ų35.13%0.02820%0.196CC..THydrogen-bonded Turntrans-74.4-20.2-175.380.50000113.6P136 T145 S163P136-S148 VanDerWaalsContact CD-O 3.25Å; P136-S148 WeakPolarHBondContact CD-O 3.45Å; P136-S148 WeakPolarHBondContact CG-O 3.15Å; T145-S148 PolarHBondContact N-OG 2.87Å; T145-S148 PolarHBondContact O-N 3.46Å; T145-S148 PolarHBondContact O-OG 3.13Å; T145-S148 VanDerWaalsContact O-OG 3.12Å; T145-S148 PolarHBondContact OG1-N 3.49Å; S148-S163 WeakPolarHBondContact CA-OG 3.17Å; S148-S163 PolarHBondContact N-OG 3.1Å
149L95.7Very high92.3Very high0 Ų037.6 Ų37.60%020%0.2CC..  trans-62.8137.7179.5-71.1167.9000111.7R94 L97 A98 Y101 T134 I144 T145 S147R94-L149 HydrophobicContact CB-CD1 4.02Å; R94-L149 HydrophobicContact CG-CD1 4.19Å; R94-L149 PolarHBondContact NH1-O 3.11Å; R94-L149 VanDerWaalsContact O-CD1 3.32Å; R94-L149 WeakPolarHBondContact O-CD1 3.36Å; L97-L149 HydrophobicContact CB-CD1 3.97Å; L97-L149 HydrophobicContact CD2-CD1 4.02Å; L97-L149 HydrophobicContact CD2-CD2 3.95Å; L97-L149 HydrophobicContact CG-CD1 4.22Å; L97-L149 HydrophobicContact CG-CD2 4.29Å; A98-L149 HydrophobicContact CB-CD1 4.23Å; Y101-L149 HydrophobicContact CD2-CD2 4.32Å; Y101-L149 HydrophobicContact CE2-CD2 3.8Å; T134-L149 WeakPolarHBondContact O-CD2 3.4Å; I144-L149 HydrophobicContact CG2-CD2 3.94Å; I144-L149 HydrophobicContact CG2-CG 4.31Å; T145-L149 PolarHBondContact O-N 2.68Å; S147-L149 VanDerWaalsContact C-N 3.31Å; S147-L149 PolarHBondContact O-N 2.88Å
150V94.4Very high92.3Very high0 Ų036.2 Ų36.20%019%0.193CC..EExtended strand (participates in β ladder)trans-98148.3178.7-55.50000110.6L133 T134 P136 V152 D160 P161 I168L133-V150 VanDerWaalsContact CA-O 3.29Å; L133-V150 WeakPolarHBondContact CA-O 3.49Å; T134-V150 HydrophobicContact CG2-CG2 3.61Å; T134-V150 PolarHBondContact N-O 2.73Å; T134-V150 VanDerWaalsContact N-O 3.08Å; T134-V150 WeakPolarHBondContact O-CG2 3.38Å; T134-V150 PolarHBondContact O-N 3.26Å; P136-V150 HydrophobicContact CB-CG1 4.05Å; V150-V152 HydrophobicContact CG2-CG2 4.08Å; V150-D160 CarbonylContact C-O 3.54Å; V150-D160 WeakPolarHBondContact CA-O 3.34Å; V150-P161 WeakPolarHBondContact CG1-O 3.33Å; V150-I168 HydrophobicContact CG2-CG2 3.37Å
151K93.6Very high92.2Very high36 Ų3636.2 Ų36.216%0.15720%0.197CC..EExtended strand (participates in β ladder)trans-110.2123.9177.8-171.2-171.5-51.1-171.30109E90 L123 V131 V132 L133 L159 D160E90-K151 WeakPolarHBondContact OE1-CE 3.29Å; E90-K151 IonicContact OE1-NZ 3.88Å; E90-K151 PolarHBondContact OE1-NZ 2.88Å; E90-K151 IonicContact OE2-NZ 3.66Å; E90-K151 PolarHBondContact OE2-NZ 2.72Å; L123-K151 HydrophobicContact CD1-CD 4.27Å; L123-K151 HydrophobicContact CD1-CG 4.27Å; V131-K151 HydrophobicContact CG1-CD 3.93Å; V131-K151 HydrophobicContact CG1-CG 3.38Å; V132-K151 WeakPolarHBondContact O-CA 3.32Å; L133-K151 HydrophobicContact CD2-CB 3.86Å; L133-K151 HydrophobicContact CD2-CG 4.14Å; K151-L159 HydrophobicContact CB-CB 4.47Å; K151-L159 HydrophobicContact CD-CB 4.13Å; K151-L159 HydrophobicContact CD-CD1 4.49Å; K151-L159 HydrophobicContact CG-CB 4.23Å; K151-L159 PolarHBondContact O-N 3.43Å; K151-D160 HydrophobicContact CB-CB 3.56Å; K151-D160 HydrophobicContact CD-CB 4.43Å; K151-D160 PolarHBondContact N-O 3.25Å; K151-D160 PolarHBondContact O-N 2.78Å; K151-D160 VanDerWaalsContact O-N 3.1Å
152V92.5Very high92.2Very high1 Ų136.6 Ų36.61%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-136.4143.3-173.9-168.30000109.3V131 V132 V150 G156 Q157 I168 Y173V131-V152 WeakPolarHBondContact CA-O 3.44Å; V131-V152 WeakPolarHBondContact CG1-O 3.31Å; V132-V152 PolarHBondContact N-O 3.45Å; V132-V152 PolarHBondContact O-N 3.46Å; V150-V152 HydrophobicContact CG2-CG2 4.08Å; V152-G156 VanDerWaalsContact CG1-C 3.43Å; V152-G156 WeakPolarHBondContact CG1-O 3.4Å; V152-Q157 WeakPolarHBondContact CA-O 3.46Å; V152-Q157 WeakPolarHBondContact CG1-O 3.46Å; V152-I168 HydrophobicContact CG1-CD1 3.97Å; V152-I168 HydrophobicContact CG2-CD1 4.3Å; V152-I168 HydrophobicContact CG2-CG2 3.8Å; V152-Y173 HydrophobicContact CB-CE2 4.28Å; V152-Y173 HydrophobicContact CG1-CE1 4.08Å; V152-Y173 HydrophobicContact CG1-CE2 4.34Å; V152-Y173 PolarHBondContact O-OH 2.91Å
153N90.6Very high92.2Very high27 Ų2736.2 Ų36.214%0.14421%0.21CC..EExtended strand (participates in β ladder)trans-85.3168.9172732.4000111.4D130 T155 G156 Q157 L159 Y173D130-N153 CarbonylContact O-C 3.56Å; D130-N153 WeakPolarHBondContact O-CA 3.38Å; N153-T155 VanDerWaalsContact CG-OG1 3.31Å; N153-T155 PolarHBondContact ND2-OG1 3.38Å; N153-T155 VanDerWaalsContact ND2-OG1 3.1Å; N153-T155 PolarHBondContact O-N 2.88Å; N153-T155 PolarHBondContact OD1-N 3.09Å; N153-T155 VanDerWaalsContact OD1-N 3.16Å; N153-T155 PolarHBondContact OD1-OG1 3.47Å; N153-G156 PolarHBondContact O-N 3.22Å; N153-G156 PolarHBondContact OD1-N 2.82Å; N153-Q157 PolarHBondContact N-O 2.9Å; N153-Q157 WeakPolarHBondContact ND2-CB 3.18Å; N153-Q157 PolarHBondContact ND2-OE1 3.3Å; N153-Q157 WeakPolarHBondContact OD1-CA 3.45Å; N153-Q157 VanDerWaalsContact OD1-CB 3.32Å; N153-Q157 WeakPolarHBondContact OD1-CB 3.13Å; N153-Q157 PolarHBondContact OD1-N 3.09Å; N153-Q157 PolarHBondContact OD1-O 2.88Å; N153-L159 HydrophobicContact CB-CD1 4.27Å; N153-Y173 WeakPolarHBondContact O-CE1 3.39Å; N153-Y173 PolarHBondContact O-OH 3.49Å
154F88.9Confident92.1Very high18 Ų1834.8 Ų34.88%0.07921%0.208CC..THydrogen-bonded Turntrans-63.8-15.3-178.3-74.313.9000114.6D130 V132 G156 T177 Y180 Q181D130-F154 HydrophobicContact CB-CB 4.24Å; D130-F154 HydrophobicContact CB-CD1 3.71Å; D130-F154 HydrophobicContact CB-CD2 3.45Å; D130-F154 VanDerWaalsContact CB-CD2 3.45Å; D130-F154 HydrophobicContact CB-CE1 3.71Å; D130-F154 HydrophobicContact CB-CE2 3.5Å; D130-F154 VanDerWaalsContact CB-CE2 3.5Å; D130-F154 HydrophobicContact CB-CG 3.55Å; D130-F154 HydrophobicContact CB-CZ 3.59Å; D130-F154 WeakPolarHBondContact O-CD1 3.13Å; D130-F154 PolarHBondContact O-N 2.98Å; V132-F154 HydrophobicContact CG1-CD1 4.14Å; V132-F154 HydrophobicContact CG1-CE1 3.56Å; F154-G156 VanDerWaalsContact C-N 3.26Å; F154-G156 PolarHBondContact O-N 3.26Å; F154-T177 HydrophobicContact CB-CG2 4.19Å; F154-T177 HydrophobicContact CD1-CG2 4.26Å; F154-T177 HydrophobicContact CG-CG2 4.22Å; F154-Y180 HydrophobicContact CE1-CD2 4.28Å; F154-Y180 HydrophobicContact CE1-CG 4.44Å; F154-Y180 HydrophobicContact CZ-CD2 4.4Å; F154-Y180 HydrophobicContact CZ-CG 4.11Å; F154-Q181 HydrophobicContact CD2-CG 3.41Å; F154-Q181 VanDerWaalsContact CD2-CG 3.41Å; F154-Q181 HydrophobicContact CE2-CG 3.7Å
155T85.4Confident91.8Very high118 Ų11837.6 Ų37.672%0.72424%0.237SC*.THydrogen-bonded Turntrans-841.3174.773.30000113.1N153 Q157N153-T155 VanDerWaalsContact CG-OG1 3.31Å; N153-T155 PolarHBondContact ND2-OG1 3.38Å; N153-T155 VanDerWaalsContact ND2-OG1 3.1Å; N153-T155 PolarHBondContact O-N 2.88Å; N153-T155 PolarHBondContact OD1-N 3.09Å; N153-T155 VanDerWaalsContact OD1-N 3.16Å; N153-T155 PolarHBondContact OD1-OG1 3.47Å; T155-Q157 VanDerWaalsContact C-N 3.31Å
156G84.8Confident91.6Very high34 Ų3440.2 Ų40.235%0.35125%0.251SS..SBendtrans83.81.6-177.800000114.2V152 N153 F154 M158V152-G156 VanDerWaalsContact CG1-C 3.43Å; V152-G156 WeakPolarHBondContact CG1-O 3.4Å; N153-G156 PolarHBondContact O-N 3.22Å; N153-G156 PolarHBondContact OD1-N 2.82Å; F154-G156 VanDerWaalsContact C-N 3.26Å; F154-G156 PolarHBondContact O-N 3.26Å; G156-M158 PolarHBondContact O-N 3.06Å
157Q88.8Confident91.3Very high118 Ų11842 Ų4255%0.55127%0.269SS*.  trans-73.3123.6176-170.5-174.810.700110.2V152 N153 T155 L159V152-Q157 WeakPolarHBondContact CA-O 3.46Å; V152-Q157 WeakPolarHBondContact CG1-O 3.46Å; N153-Q157 PolarHBondContact N-O 2.9Å; N153-Q157 WeakPolarHBondContact ND2-CB 3.18Å; N153-Q157 PolarHBondContact ND2-OE1 3.3Å; N153-Q157 WeakPolarHBondContact OD1-CA 3.45Å; N153-Q157 VanDerWaalsContact OD1-CB 3.32Å; N153-Q157 WeakPolarHBondContact OD1-CB 3.13Å; N153-Q157 PolarHBondContact OD1-N 3.09Å; N153-Q157 PolarHBondContact OD1-O 2.88Å; T155-Q157 VanDerWaalsContact C-N 3.31Å; Q157-L159 PolarHBondContact O-N 2.95Å
158M90.8Very high91.1Very high73 Ų7342.8 Ų42.836%0.3627%0.272SS..EExtended strand (participates in β ladder)trans-74.5118.8176.1-168.9-173.8-68.500110.4G156 P161 L166G156-M158 PolarHBondContact O-N 3.06Å; M158-P161 WeakPolarHBondContact SD-CA 3.47Å; M158-P161 HydrophobicContact SD-CB 3.52Å; M158-P161 VanDerWaalsContact SD-CB 3.52Å; M158-L166 WeakPolarHBondContact CE-O 3.38Å
159L91.7Very high90.8Very high88 Ų8844.6 Ų44.646%0.46128%0.281SS..EExtended strand (participates in β ladder)trans-93.9-28.9176.8-58.2-179.4000111.9V131 K151 N153 Q157V131-L159 HydrophobicContact CG1-CD1 3.92Å; V131-L159 HydrophobicContact CG2-CD1 3.7Å; K151-L159 HydrophobicContact CB-CB 4.47Å; K151-L159 HydrophobicContact CD-CB 4.13Å; K151-L159 HydrophobicContact CD-CD1 4.49Å; K151-L159 HydrophobicContact CG-CB 4.23Å; K151-L159 PolarHBondContact O-N 3.43Å; N153-L159 HydrophobicContact CB-CD1 4.27Å; Q157-L159 PolarHBondContact O-N 2.95Å
160D91.9Very high90.2Very high6 Ų652 Ų523%0.03232%0.316CS..EExtended strand (participates in β ladder)trans-144.9120174-164.1-37.2000110K85 F86 R94 V150 K151 G162K85-D160 WeakPolarHBondContact CE-OD2 3.42Å; K85-D160 IonicContact NZ-OD1 3.64Å; K85-D160 PolarHBondContact NZ-OD1 3.02Å; K85-D160 IonicContact NZ-OD2 2.81Å; K85-D160 PolarHBondContact NZ-OD2 3.16Å; F86-D160 WeakPolarHBondContact CE1-OD2 3.43Å; F86-D160 VanDerWaalsContact CZ-OD2 3.31Å; F86-D160 WeakPolarHBondContact CZ-OD2 3.4Å; R94-D160 IonicContact NH2-OD2 2.68Å; V150-D160 CarbonylContact C-O 3.54Å; V150-D160 WeakPolarHBondContact CA-O 3.34Å; K151-D160 HydrophobicContact CB-CB 3.56Å; K151-D160 HydrophobicContact CD-CB 4.43Å; K151-D160 PolarHBondContact N-O 3.25Å; K151-D160 PolarHBondContact O-N 2.78Å; K151-D160 VanDerWaalsContact O-N 3.1Å; D160-G162 PolarHBondContact O-N 3.35Å; D160-G162 PolarHBondContact OD1-N 3.18Å
161P91.9Very high89.6Confident58 Ų5854.8 Ų54.838%0.37734%0.339SS..  trans-76.80.1179.632.9-37.2000114.4V150 M158V150-P161 WeakPolarHBondContact CG1-O 3.33Å; M158-P161 WeakPolarHBondContact SD-CA 3.47Å; M158-P161 HydrophobicContact SD-CB 3.52Å; M158-P161 VanDerWaalsContact SD-CB 3.52Å
162G92.5Very high88.9Confident19 Ų1953.4 Ų53.420%0.19633%0.334CS..THydrogen-bonded Turntrans62.8-165.5-172.400000112.1S147 D160S147-G162 CarbonylContact O-C 3.59Å; S147-G162 VanDerWaalsContact O-CA 3.24Å; S147-G162 WeakPolarHBondContact O-CA 3.39Å; D160-G162 PolarHBondContact O-N 3.35Å; D160-G162 PolarHBondContact OD1-N 3.18Å
163S92.4Very high88.6Confident70 Ų7054.1 Ų54.149%0.4934%0.337SS..THydrogen-bonded Turntrans-82.2-18-179.958.20000114.3S147 S148S147-S163 VanDerWaalsContact C-OG 3.3Å; S147-S163 PolarHBondContact O-N 3.44Å; S147-S163 PolarHBondContact O-OG 3.46Å; S147-S163 WeakPolarHBondContact OG-CB 3.2Å; S147-S163 PolarHBondContact OG-OG 2.99Å; S148-S163 WeakPolarHBondContact CA-OG 3.17Å; S148-S163 PolarHBondContact N-OG 3.1Å
164S89.9Confident88.5Confident41 Ų4153.5 Ų53.529%0.28733%0.334SS..THydrogen-bonded Turntrans-82.3-25.4-177.563.90000113.6P136 L166P136-S164 WeakPolarHBondContact CB-OG 3.27Å; S164-L166 PolarHBondContact O-N 2.89Å; S164-L166 PolarHBondContact OG-N 3.11Å
165G89Confident88.6Confident60 Ų6053.4 Ų53.462%0.61933%0.334SS*.  trans71.810.7-174.600000114.4
166L91.8Very high89Confident64 Ų6447.9 Ų47.934%0.33530%0.3SS..  trans-90.4157.4-176.5-66.1172.8000112.6P136 L139 M158 S164P136-L166 HydrophobicContact CB-CB 3.69Å; P136-L166 HydrophobicContact CB-CD1 4.3Å; L139-L166 HydrophobicContact CD2-CD1 4.04Å; L139-L166 HydrophobicContact CG-CD1 4.05Å; M158-L166 WeakPolarHBondContact CE-O 3.38Å; S164-L166 PolarHBondContact O-N 2.89Å; S164-L166 PolarHBondContact OG-N 3.11Å
167G90.8Very high89.3Confident37 Ų3746.4 Ų46.438%0.38129%0.285SS..  trans-72.5-173.8176.400000115P136 F137P136-G167 CarbonylContact C-O 3.55Å; P136-G167 WeakPolarHBondContact CA-O 3.49Å; F137-G167 PolarHBondContact N-O 3.08Å
168I91.3Very high89.5Confident26 Ų2640.9 Ų40.913%0.13326%0.259CS..  trans-107.5162.5166.856.1163.3000111.1T134 V150 V152 E170 Y173T134-I168 HydrophobicContact CG2-CG2 3.53Å; V150-I168 HydrophobicContact CG2-CG2 3.37Å; V152-I168 HydrophobicContact CG1-CD1 3.97Å; V152-I168 HydrophobicContact CG2-CD1 4.3Å; V152-I168 HydrophobicContact CG2-CG2 3.8Å; I168-E170 PolarHBondContact O-N 2.97Å; I168-Y173 HydrophobicContact CD1-CD1 3.99Å; I168-Y173 HydrophobicContact CD1-CD2 3.87Å; I168-Y173 HydrophobicContact CD1-CE1 4.42Å; I168-Y173 HydrophobicContact CD1-CE2 4.31Å; I168-Y173 HydrophobicContact CD1-CG 3.69Å
169N87.9Confident89.7Confident43 Ų4337.4 Ų37.423%0.2324%0.242CC..  trans-80.4100.9165.6-177.9-13.3000108.7F137 A171 A172 Y173F137-N169 HydrophobicContact CB-CB 4.43Å; F137-N169 HydrophobicContact CD2-CB 3.81Å; F137-N169 HydrophobicContact CE2-CB 4.35Å; F137-N169 HydrophobicContact CG-CB 4.21Å; N169-A171 VanDerWaalsContact C-N 3.33Å; N169-A171 PolarHBondContact O-N 3.42Å; N169-A171 PolarHBondContact OD1-N 3.5Å; N169-A172 HydrophobicContact CB-CB 4.13Å; N169-A172 PolarHBondContact O-N 2.82Å; N169-A172 PolarHBondContact OD1-N 2.78Å; N169-Y173 PolarHBondContact O-N 2.84Å; N169-Y173 VanDerWaalsContact O-N 3.15Å
170E84.3Confident89.8Confident154 Ų15433.4 Ų33.472%0.7222%0.221SC*.Hα-helixtrans-59.1-41.1-176-65.6-179.7174.600112.5I168 A172 Y173 V174I168-E170 PolarHBondContact O-N 2.97Å; E170-A172 PolarHBondContact O-N 2.85Å; E170-Y173 WeakPolarHBondContact O-CA 3.33Å; E170-Y173 VanDerWaalsContact O-CB 3.23Å; E170-Y173 WeakPolarHBondContact O-CB 3.4Å; E170-Y173 PolarHBondContact O-N 3.43Å; E170-V174 PolarHBondContact O-N 2.93Å
171A80.6Confident89.8Confident60 Ų6038.4 Ų38.450%0.49624%0.244SC..Hα-helixtrans-63.5-42.318000000112.4N169 Y173N169-A171 VanDerWaalsContact C-N 3.33Å; N169-A171 PolarHBondContact O-N 3.42Å; N169-A171 PolarHBondContact OD1-N 3.5Å; A171-Y173 PolarHBondContact O-N 3Å
172A80.5Confident89.9Confident6 Ų638.1 Ų38.15%0.0525%0.247CC..Hα-helixtrans-67.6-26.2175.500000112.1H116 N169 E170 H176H116-A172 HydrophobicContact CB-CB 4.14Å; N169-A172 HydrophobicContact CB-CB 4.13Å; N169-A172 PolarHBondContact O-N 2.82Å; N169-A172 PolarHBondContact OD1-N 2.78Å; E170-A172 PolarHBondContact O-N 2.85Å; A172-H176 PolarHBondContact O-CD2 3.12Å
173Y85.8Confident89.9Confident16 Ų1638.2 Ų38.26%0.06324%0.241CC..Hα-helixtrans-71.4-35.2-178-163.2-113000113.1V132 V152 N153 I168 N169 E170 A171 L175 H176 T177V132-Y173 HydrophobicContact CG2-CE2 3.44Å; V132-Y173 VanDerWaalsContact CG2-CE2 3.44Å; V132-Y173 VanDerWaalsContact CG2-OH 3.24Å; V132-Y173 WeakPolarHBondContact CG2-OH 3.35Å; V152-Y173 HydrophobicContact CB-CE2 4.28Å; V152-Y173 HydrophobicContact CG1-CE1 4.08Å; V152-Y173 HydrophobicContact CG1-CE2 4.34Å; V152-Y173 PolarHBondContact O-OH 2.91Å; N153-Y173 WeakPolarHBondContact O-CE1 3.39Å; N153-Y173 PolarHBondContact O-OH 3.49Å; I168-Y173 HydrophobicContact CD1-CD1 3.99Å; I168-Y173 HydrophobicContact CD1-CD2 3.87Å; I168-Y173 HydrophobicContact CD1-CE1 4.42Å; I168-Y173 HydrophobicContact CD1-CE2 4.31Å; I168-Y173 HydrophobicContact CD1-CG 3.69Å; N169-Y173 PolarHBondContact O-N 2.84Å; N169-Y173 VanDerWaalsContact O-N 3.15Å; E170-Y173 WeakPolarHBondContact O-CA 3.33Å; E170-Y173 VanDerWaalsContact O-CB 3.23Å; E170-Y173 WeakPolarHBondContact O-CB 3.4Å; E170-Y173 PolarHBondContact O-N 3.43Å; A171-Y173 PolarHBondContact O-N 3Å; Y173-L175 VanDerWaalsContact C-N 3.34Å; Y173-L175 PolarHBondContact O-N 3.32Å; Y173-H176 PolarHBondContact O-N 3.41Å; Y173-H176 VanDerWaalsContact O-N 3.12Å; Y173-T177 HydrophobicContact CD1-CG2 3.61Å; Y173-T177 HydrophobicContact CE1-CG2 3.24Å; Y173-T177 HydrophobicContact CE2-CG2 4.23Å; Y173-T177 HydrophobicContact CG-CG2 4.24Å; Y173-T177 PolarHBondContact O-N 3.43Å; Y173-T177 PolarHBondContact O-OG1 3.49Å
174V88.7Confident89.8Confident14 Ų1439.7 Ų39.79%0.08525%0.252CS..Hα-helixtrans-55.9-45.8178.7174.70000111.9E170 H176 T177 A178 R235E170-V174 PolarHBondContact O-N 2.93Å; V174-H176 PolarHBondContact O-N 2.91Å; V174-T177 PolarHBondContact O-N 2.94Å; V174-T177 PolarHBondContact O-OG1 3.33Å; V174-T177 VanDerWaalsContact O-OG1 3.07Å; V174-A178 VanDerWaalsContact O-CB 3.32Å; V174-A178 WeakPolarHBondContact O-CB 3.42Å; V174-A178 PolarHBondContact O-N 2.91Å; V174-R235 HydrophobicContact CG1-CG 3.93Å
175L90.8Very high89.9Confident16 Ų1641.4 Ų41.48%0.08426%0.258CS..Hα-helixtrans-59.7-45.3176.6174.464.1000111.9Y173 I179 H191 I238 M248 L250 V256Y173-L175 VanDerWaalsContact C-N 3.34Å; Y173-L175 PolarHBondContact O-N 3.32Å; L175-I179 HydrophobicContact CD1-CD1 3.95Å; L175-I179 HydrophobicContact CG-CD1 4.32Å; L175-I179 WeakPolarHBondContact O-CG1 3.37Å; L175-I179 PolarHBondContact O-N 3.27Å; L175-H191 HydrophobicContact CD2-CB 4.2Å; L175-I238 HydrophobicContact CD1-CD1 3.8Å; L175-I238 HydrophobicContact CD1-CG1 4.34Å; L175-I238 HydrophobicContact CD1-CG2 4Å; L175-M248 HydrophobicContact CD1-CE 4.47Å; L175-L250 HydrophobicContact CD2-CD1 4.02Å; L175-V256 HydrophobicContact CD1-CG2 4.28Å; L175-V256 HydrophobicContact CD2-CG2 3.74Å; L175-V256 HydrophobicContact CG-CG2 4.32Å
176H93Very high90.2Very high2 Ų238.6 Ų38.61%0.00923%0.228CC..Hα-helixtrans-67.5-44-178.6-75.3-118.8000111.2S118 S120 A172 Y173 V174 Y180 I189S118-H176 WeakPolarHBondContact CB-NE2 3.06Å; S118-H176 PolarHBondContact O-CE1 3.3Å; S118-H176 PolarHBondContact OG-CD2 3.44Å; S118-H176 PolarHBondContact OG-NE2 3.47Å; S120-H176 PolarHBondContact OG-ND1 3.35Å; A172-H176 PolarHBondContact O-CD2 3.12Å; Y173-H176 PolarHBondContact O-N 3.41Å; Y173-H176 VanDerWaalsContact O-N 3.12Å; V174-H176 PolarHBondContact O-N 2.91Å; H176-Y180 HydrophobicContact CB-CD2 4.43Å; H176-Y180 HydrophobicContact CB-CE2 4.4Å; H176-Y180 WeakPolarHBondContact O-CB 3.35Å; H176-Y180 WeakPolarHBondContact O-CD2 3.38Å; H176-Y180 PolarHBondContact O-N 2.99Å; H176-I189 HydrophobicContact CB-CD1 4.36Å; H176-I189 VanDerWaalsContact CE1-CG2 3.43Å; H176-I189 WeakPolarHBondContact CE1-CG2 3.31Å
177T92.3Very high90.3Very high3 Ų338.5 Ų38.52%0.01822%0.223CC..Hα-helixtrans-68.1-38.618054.40000112F154 Y173 V174 Y180 Q181F154-T177 HydrophobicContact CB-CG2 4.19Å; F154-T177 HydrophobicContact CD1-CG2 4.26Å; F154-T177 HydrophobicContact CG-CG2 4.22Å; Y173-T177 HydrophobicContact CD1-CG2 3.61Å; Y173-T177 HydrophobicContact CE1-CG2 3.24Å; Y173-T177 HydrophobicContact CE2-CG2 4.23Å; Y173-T177 HydrophobicContact CG-CG2 4.24Å; Y173-T177 PolarHBondContact O-N 3.43Å; Y173-T177 PolarHBondContact O-OG1 3.49Å; V174-T177 PolarHBondContact O-N 2.94Å; V174-T177 PolarHBondContact O-OG1 3.33Å; V174-T177 VanDerWaalsContact O-OG1 3.07Å; T177-Y180 PolarHBondContact O-N 3.46Å; T177-Q181 WeakPolarHBondContact O-CB 3.49Å; T177-Q181 VanDerWaalsContact O-CG 3.29Å; T177-Q181 WeakPolarHBondContact O-CG 3.36Å; T177-Q181 PolarHBondContact O-N 2.96Å
178A92.8Very high90.6Very high3 Ų336.7 Ų36.73%0.02521%0.205CC..Hα-helixtrans-56.7-52.7174.500000111.7V174 Y180 Q181 A182 R235 I238V174-A178 VanDerWaalsContact O-CB 3.32Å; V174-A178 WeakPolarHBondContact O-CB 3.42Å; V174-A178 PolarHBondContact O-N 2.91Å; A178-Y180 VanDerWaalsContact C-N 3.32Å; A178-Y180 PolarHBondContact O-N 3.44Å; A178-Q181 PolarHBondContact O-N 3.3Å; A178-A182 WeakPolarHBondContact O-CB 3.48Å; A178-A182 PolarHBondContact O-N 2.94Å; A178-R235 HydrophobicContact CB-CB 4.1Å; A178-R235 HydrophobicContact CB-CG 4Å; A178-I238 HydrophobicContact CB-CB 4.23Å; A178-I238 HydrophobicContact CB-CG2 3.88Å
179I94.5Very high90.8Very high0 Ų035.5 Ų35.50%020%0.199CC..Hα-helixtrans-62.2-44.2179-67.3174.8000110.3L175 A182 R183 I189 I238 V256L175-I179 HydrophobicContact CD1-CD1 3.95Å; L175-I179 HydrophobicContact CG-CD1 4.32Å; L175-I179 WeakPolarHBondContact O-CG1 3.37Å; L175-I179 PolarHBondContact O-N 3.27Å; I179-A182 PolarHBondContact O-N 3.25Å; I179-R183 WeakPolarHBondContact O-CB 3.27Å; I179-R183 PolarHBondContact O-N 3.44Å; I179-I189 HydrophobicContact CB-CD1 3.78Å; I179-I189 HydrophobicContact CG2-CD1 3.58Å; I179-I189 HydrophobicContact CG2-CG1 4.35Å; I179-I238 HydrophobicContact CD1-CG2 4.39Å; I179-I238 HydrophobicContact CG1-CG2 3.69Å; I179-V256 HydrophobicContact CD1-CB 4.41Å; I179-V256 HydrophobicContact CD1-CG1 3.68Å; I179-V256 HydrophobicContact CD1-CG2 4.5Å
180Y93.8Very high91.3Very high3 Ų333.4 Ų33.41%0.01219%0.188CC..Hα-helixtrans-62.5-44.2179.1-88.5-34.6000112.5S120 R122 V132 F154 H176 T177 A178 A182 R183 V186 R187 I189S120-Y180 PolarHBondContact O-OH 2.91Å; S120-Y180 WeakPolarHBondContact OG-CE2 3.45Å; S120-Y180 PolarHBondContact OG-OH 3.5Å; R122-Y180 HydrophobicContact CB-CE1 3.94Å; R122-Y180 VanDerWaalsContact NH2-CG 3.28Å; R122-Y180 PolarHBondContact NH2-O 2.9Å; V132-Y180 HydrophobicContact CB-CE2 4.32Å; V132-Y180 HydrophobicContact CG1-CD2 3.71Å; V132-Y180 HydrophobicContact CG1-CE2 3.5Å; F154-Y180 HydrophobicContact CE1-CD2 4.28Å; F154-Y180 HydrophobicContact CE1-CG 4.44Å; F154-Y180 HydrophobicContact CZ-CD2 4.4Å; F154-Y180 HydrophobicContact CZ-CG 4.11Å; H176-Y180 HydrophobicContact CB-CD2 4.43Å; H176-Y180 HydrophobicContact CB-CE2 4.4Å; H176-Y180 WeakPolarHBondContact O-CB 3.35Å; H176-Y180 WeakPolarHBondContact O-CD2 3.38Å; H176-Y180 PolarHBondContact O-N 2.99Å; T177-Y180 PolarHBondContact O-N 3.46Å; A178-Y180 VanDerWaalsContact C-N 3.32Å; A178-Y180 PolarHBondContact O-N 3.44Å; Y180-A182 VanDerWaalsContact C-N 3.31Å; Y180-A182 PolarHBondContact O-N 3.41Å; Y180-R183 CarbonylContact O-C 3.5Å; Y180-R183 PolarHBondContact O-N 3.33Å; Y180-V186 HydrophobicContact CD1-CB 4.41Å; Y180-V186 HydrophobicContact CD1-CG1 4.21Å; Y180-V186 HydrophobicContact CE1-CB 4.45Å; Y180-V186 HydrophobicContact CE1-CG1 3.89Å; Y180-R187 PolarHBondContact OH-O 3.05Å; Y180-I189 HydrophobicContact CD1-CD1 3.79Å; Y180-I189 HydrophobicContact CD1-CG1 4.39Å; Y180-I189 HydrophobicContact CD2-CD1 3.89Å; Y180-I189 HydrophobicContact CE1-CD1 3.69Å; Y180-I189 HydrophobicContact CE1-CG1 3.83Å; Y180-I189 HydrophobicContact CE2-CD1 3.77Å; Y180-I189 HydrophobicContact CE2-CG1 4.32Å; Y180-I189 HydrophobicContact CG-CD1 3.88Å
181Q91.8Very high91.8Very high112 Ų11226.1 Ų26.152%0.52315%0.154SC..Hα-helixtrans-62.8-40.1176.9-74.8174-24.800111.6F154 T177 A178F154-Q181 HydrophobicContact CD2-CG 3.41Å; F154-Q181 VanDerWaalsContact CD2-CG 3.41Å; F154-Q181 HydrophobicContact CE2-CG 3.7Å; T177-Q181 WeakPolarHBondContact O-CB 3.49Å; T177-Q181 VanDerWaalsContact O-CG 3.29Å; T177-Q181 WeakPolarHBondContact O-CG 3.36Å; T177-Q181 PolarHBondContact O-N 2.96Å; A178-Q181 PolarHBondContact O-N 3.3Å
182A92.9Very high92.4Very high52 Ų5223.3 Ų23.343%0.4313%0.13SC..Hα-helixtrans-69.1-32.4176.400000113A178 I179 Y180 A239A178-A182 WeakPolarHBondContact O-CB 3.48Å; A178-A182 PolarHBondContact O-N 2.94Å; I179-A182 PolarHBondContact O-N 3.25Å; Y180-A182 VanDerWaalsContact C-N 3.31Å; Y180-A182 PolarHBondContact O-N 3.41Å; A182-A239 HydrophobicContact CB-CB 3.63Å
183R92.6Very high92.9Very high21 Ų2124 Ų248%0.07913%0.133CC..  trans-126.6103.4-171.1-68.2-166.462.3155.6-4.5113.4R122 I179 Y180 D185 V186 G243 N244 S245R122-R183 PolarHBondContact NH1-O 3.33Å; R122-R183 PolarHBondContact NH2-O 3.22Å; I179-R183 WeakPolarHBondContact O-CB 3.27Å; I179-R183 PolarHBondContact O-N 3.44Å; Y180-R183 CarbonylContact O-C 3.5Å; Y180-R183 PolarHBondContact O-N 3.33Å; R183-D185 VanDerWaalsContact C-N 3.3Å; R183-D185 WeakPolarHBondContact CB-OD1 3.19Å; R183-D185 IonicContact CZ-OD1 3.7Å; R183-D185 IonicContact CZ-OD2 3.95Å; R183-D185 IonicContact NE-OD1 3.58Å; R183-D185 PolarHBondContact NE-OD1 2.87Å; R183-D185 IonicContact NE-OD2 2.88Å; R183-D185 IonicContact NH2-OD1 2.84Å; R183-D185 IonicContact NH2-OD2 3.04Å; R183-D185 PolarHBondContact NH2-OD2 2.66Å; R183-D185 PolarHBondContact O-N 3.48Å; R183-V186 HydrophobicContact CB-CB 4.2Å; R183-V186 HydrophobicContact CB-CG2 3.68Å; R183-V186 HydrophobicContact CG-CG2 4.42Å; R183-G243 PolarHBondContact NH1-O 2.79Å; R183-N244 PolarHBondContact NH1-O 3.01Å; R183-S245 PolarHBondContact NH1-O 3.44Å
184S91.2Very high93.2Very high101 Ų10123.5 Ų23.571%0.70613%0.131SC*.SBendtrans-71.1-24.2176.261.40000113.3R122R122-S184 PolarHBondContact NH1-O 3.41Å
185D92.5Very high93.4Very high77 Ų7727.4 Ų27.441%0.41216%0.157SC..SBendtrans-78.1-23.7-17969.4-55000113.5R183R183-D185 VanDerWaalsContact C-N 3.3Å; R183-D185 WeakPolarHBondContact CB-OD1 3.19Å; R183-D185 IonicContact CZ-OD1 3.7Å; R183-D185 IonicContact CZ-OD2 3.95Å; R183-D185 IonicContact NE-OD1 3.58Å; R183-D185 PolarHBondContact NE-OD1 2.87Å; R183-D185 IonicContact NE-OD2 2.88Å; R183-D185 IonicContact NH2-OD1 2.84Å; R183-D185 IonicContact NH2-OD2 3.04Å; R183-D185 PolarHBondContact NH2-OD2 2.66Å; R183-D185 PolarHBondContact O-N 3.48Å
186V94.7Very high93.6Very high1 Ų128.7 Ų28.71%0.00617%0.165CC..  trans-76.5130.1-179.6-179.90000110.6R122 Y180 R183 I189 C258R122-V186 PolarHBondContact NH1-O 3.08Å; R122-V186 VanDerWaalsContact NH1-O 3.09Å; Y180-V186 HydrophobicContact CD1-CB 4.41Å; Y180-V186 HydrophobicContact CD1-CG1 4.21Å; Y180-V186 HydrophobicContact CE1-CB 4.45Å; Y180-V186 HydrophobicContact CE1-CG1 3.89Å; R183-V186 HydrophobicContact CB-CB 4.2Å; R183-V186 HydrophobicContact CB-CG2 3.68Å; R183-V186 HydrophobicContact CG-CG2 4.42Å; V186-I189 HydrophobicContact CG1-CD1 4.23Å; V186-I189 HydrophobicContact CG1-CG1 3.65Å; V186-C258 HydrophobicContact CG1-CB 3.81Å; V186-C258 HydrophobicContact CG2-CB 3.84Å
187R94.1Very high93.8Very high61 Ų6128.6 Ų28.623%0.2317%0.165CC..  trans-118.3-22.6180-64.2-61.5-165.2152.5-4.7113.8G121 R122 L123 Y180 G259 S260G121-R187 CarbonylContact C-O 3.59Å; G121-R187 WeakPolarHBondContact CA-O 3.25Å; R122-R187 PolarHBondContact N-O 2.9Å; L123-R187 PolarHBondContact O-NH1 2.75Å; Y180-R187 PolarHBondContact OH-O 3.05Å; R187-G259 PolarHBondContact N-O 3.42Å; R187-S260 WeakPolarHBondContact CB-O 3.4Å; R187-S260 WeakPolarHBondContact CG-O 3.43Å
188C96.3Very high93.8Very high0 Ų029.3 Ų29.30%017%0.173CC..EExtended strand (participates in β ladder)trans-138.9137.4175.4-176.10000109.6S120 C258 G259 I262 A265S120-C188 VanDerWaalsContact O-CA 3.27Å; S120-C188 WeakPolarHBondContact O-CA 3.43Å; S120-C188 PolarHBondContact O-SG 3.04Å; S120-C188 VanDerWaalsContact O-SG 3.36Å; C188-C258 WeakPolarHBondContact O-CA 3.43Å; C188-G259 PolarHBondContact N-O 2.94Å; C188-G259 PolarHBondContact O-N 3.43Å; C188-I262 HydrophobicContact CB-CB 4.5Å; C188-I262 HydrophobicContact CB-CG1 3.89Å; C188-A265 HydrophobicContact CB-CB 3.87Å
189I96.9Very high94Very high0 Ų031.1 Ų31.10%019%0.188CC..EExtended strand (participates in β ladder)trans-124.2130.7175.7-62.1175.8000107.4V119 S120 H176 I179 Y180 V186 V256 A257V119-I189 CarbonylContact C-O 3.6Å; V119-I189 VanDerWaalsContact CA-O 3.3Å; V119-I189 WeakPolarHBondContact CA-O 3.43Å; S120-I189 PolarHBondContact N-O 2.81Å; S120-I189 PolarHBondContact O-N 3.21Å; S120-I189 VanDerWaalsContact O-N 3.08Å; H176-I189 HydrophobicContact CB-CD1 4.36Å; H176-I189 VanDerWaalsContact CE1-CG2 3.43Å; H176-I189 WeakPolarHBondContact CE1-CG2 3.31Å; I179-I189 HydrophobicContact CB-CD1 3.78Å; I179-I189 HydrophobicContact CG2-CD1 3.58Å; I179-I189 HydrophobicContact CG2-CG1 4.35Å; Y180-I189 HydrophobicContact CD1-CD1 3.79Å; Y180-I189 HydrophobicContact CD1-CG1 4.39Å; Y180-I189 HydrophobicContact CD2-CD1 3.89Å; Y180-I189 HydrophobicContact CE1-CD1 3.69Å; Y180-I189 HydrophobicContact CE1-CG1 3.83Å; Y180-I189 HydrophobicContact CE2-CD1 3.77Å; Y180-I189 HydrophobicContact CE2-CG1 4.32Å; Y180-I189 HydrophobicContact CG-CD1 3.88Å; V186-I189 HydrophobicContact CG1-CD1 4.23Å; V186-I189 HydrophobicContact CG1-CG1 3.65Å; I189-V256 HydrophobicContact CG2-CG1 3.46Å; I189-V256 VanDerWaalsContact CG2-CG1 3.46Å; I189-A257 WeakPolarHBondContact CA-O 3.4Å
190I96.6Very high94.1Very high0 Ų031.1 Ų31.10%019%0.188CC..EExtended strand (participates in β ladder)trans-118.5115.8172.5-62.1171.6000107.1L100 I104 V119 M192 V256 A257 A265 F266 A269L100-I190 HydrophobicContact CD1-CD1 3.99Å; L100-I190 HydrophobicContact CD2-CD1 3.66Å; L100-I190 HydrophobicContact CD2-CG1 3.87Å; L100-I190 HydrophobicContact CG-CD1 4.37Å; I104-I190 HydrophobicContact CD1-CG2 4.36Å; V119-I190 HydrophobicContact CG1-CG1 4.05Å; V119-I190 HydrophobicContact CG2-CG1 4.48Å; I190-M192 HydrophobicContact CG2-CE 4.15Å; I190-M192 HydrophobicContact CG2-CG 3.6Å; I190-V256 CarbonylContact O-C 3.54Å; I190-V256 WeakPolarHBondContact O-CA 3.47Å; I190-A257 PolarHBondContact N-O 2.81Å; I190-A257 PolarHBondContact O-N 3.05Å; I190-A265 HydrophobicContact CD1-CB 3.9Å; I190-A265 HydrophobicContact CG1-CB 4.23Å; I190-F266 HydrophobicContact CD1-CB 4.28Å; I190-A269 HydrophobicContact CD1-CB 4.09Å; I190-A269 HydrophobicContact CG2-CB 4.23Å
191H94.9Very high94.2Very high1 Ų131 Ų311%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-112.2118.9172.6173.436.3000109.4H116 N117 S118 L175 H193 L250 H253 F255 V256H116-H191 PolarHBondContact O-CD2 3.21Å; N117-H191 VanDerWaalsContact CA-O 3.29Å; N117-H191 WeakPolarHBondContact CA-O 3.33Å; S118-H191 PolarHBondContact N-O 3.04Å; S118-H191 PolarHBondContact O-N 3.33Å; L175-H191 HydrophobicContact CD2-CB 4.2Å; H191-H193 AromaticContact CD2-NE2 3.93Å; H191-H193 AromaticContact CE1-CD2 3.34Å; H191-H193 PolarHBondContact CE1-CD2 3.43Å; H191-H193 AromaticContact CE1-NE2 3.1Å; H191-H193 PolarHBondContact CE1-NE2 3.15Å; H191-H193 AromaticContact NE2-CD2 3.6Å; H191-H193 AromaticContact NE2-NE2 2.89Å; H191-H193 PolarHBondContact NE2-NE2 2.57Å; H191-L250 VanDerWaalsContact CE1-CD1 3.46Å; H191-L250 WeakPolarHBondContact CE1-CD1 3.27Å; H191-H253 AromaticContact NE2-CE1 3.76Å; H191-H253 AromaticContact NE2-NE2 3.94Å; H191-F255 WeakPolarHBondContact CA-O 3.48Å; H191-F255 PolarHBondContact ND1-O 3.33Å; H191-V256 HydrophobicContact CB-CG2 4.22Å
192M93.7Very high94.4Very high0 Ų028.2 Ų28.20%018%0.184CC..EExtended strand (participates in β ladder)trans-136.3148.1-175.7-61.7-73.5122.200112.6I104 N117 V119 Y141 I190 T194 F255I104-M192 HydrophobicContact CD1-CE 4.14Å; I104-M192 HydrophobicContact CD1-SD 4.35Å; I104-M192 HydrophobicContact CG2-SD 3.7Å; N117-M192 HydrophobicContact CB-CE 3.97Å; N117-M192 HydrophobicContact CB-SD 4.15Å; N117-M192 VanDerWaalsContact OD1-CA 3.3Å; N117-M192 WeakPolarHBondContact OD1-CA 3.49Å; V119-M192 HydrophobicContact CG2-CE 3.66Å; Y141-M192 HydrophobicContact CE2-CE 3.94Å; Y141-M192 HydrophobicContact CE2-SD 4.38Å; I190-M192 HydrophobicContact CG2-CE 4.15Å; I190-M192 HydrophobicContact CG2-CG 3.6Å; M192-T194 HydrophobicContact CB-CG2 4.37Å; M192-F255 HydrophobicContact CB-CD1 4.38Å; M192-F255 HydrophobicContact CB-CE1 3.65Å; M192-F255 HydrophobicContact CB-CZ 4.08Å; M192-F255 PolarHBondContact N-O 2.9Å; M192-F255 VanDerWaalsContact N-O 3.16Å; M192-F255 WeakPolarHBondContact O-CD1 3.45Å; M192-F255 PolarHBondContact O-N 3.41Å
193H91.1Very high94.5Very high22 Ų2228 Ų2810%0.10217%0.174CC..  trans-109.840.1-179.2-60.2-178.1000112.1Q111 H116 N117 H191 H253Q111-H193 PolarHBondContact NE2-O 3.36Å; H116-H193 PolarHBondContact N-CE1 2.86Å; N117-H193 PolarHBondContact OD1-N 2.99Å; H191-H193 AromaticContact CD2-NE2 3.93Å; H191-H193 AromaticContact CE1-CD2 3.34Å; H191-H193 PolarHBondContact CE1-CD2 3.43Å; H191-H193 AromaticContact CE1-NE2 3.1Å; H191-H193 PolarHBondContact CE1-NE2 3.15Å; H191-H193 AromaticContact NE2-CD2 3.6Å; H191-H193 AromaticContact NE2-NE2 2.89Å; H191-H193 PolarHBondContact NE2-NE2 2.57Å; H193-H253 AromaticContact CD2-CD2 3.86Å; H193-H253 AromaticContact CD2-NE2 3.97Å; H193-H253 AromaticContact CE1-CD2 3.19Å; H193-H253 PolarHBondContact CE1-CD2 3.48Å; H193-H253 AromaticContact CE1-CE1 3.99Å; H193-H253 AromaticContact CE1-NE2 2.85Å; H193-H253 PolarHBondContact CE1-NE2 3.21Å; H193-H253 AromaticContact ND1-CD2 3.81Å; H193-H253 AromaticContact ND1-NE2 3.87Å; H193-H253 AromaticContact NE2-CD2 3.23Å; H193-H253 PolarHBondContact NE2-CD2 3.19Å; H193-H253 AromaticContact NE2-CE1 3.75Å; H193-H253 AromaticContact NE2-NE2 2.92Å; H193-H253 PolarHBondContact NE2-NE2 3.09Å
194T92.6Very high94.6Very high5 Ų537 Ų373%0.03121%0.214CC..  trans-57.6135.8178.9660000109.6W109 M192 V196 V197 G198 V273W109-T194 HydrophobicContact CB-CG2 3.68Å; W109-T194 HydrophobicContact CD2-CG2 4.41Å; W109-T194 HydrophobicContact CG-CG2 3.69Å; M192-T194 HydrophobicContact CB-CG2 4.37Å; T194-V196 PolarHBondContact O-N 3.44Å; T194-V196 VanDerWaalsContact O-N 3.12Å; T194-V197 PolarHBondContact O-N 3.14Å; T194-V197 WeakPolarHBondContact OG1-CB 3.47Å; T194-V197 WeakPolarHBondContact OG1-CG2 3.46Å; T194-G198 PolarHBondContact O-N 2.85Å; T194-V273 HydrophobicContact CG2-CG2 4.21Å
195P92.8Very high94.7Very high96 Ų9634.1 Ų34.162%0.62319%0.194SC*.Hα-helixtrans-61.2-32.2-169.4-25.335.9000113G198 A199P195-G198 PolarHBondContact O-N 3.44Å; P195-A199 WeakPolarHBondContact O-CB 2.94Å; P195-A199 PolarHBondContact O-N 2.94Å
196V95.2Very high94.9Very high42 Ų4230.5 Ų30.526%0.25517%0.174SC..Hα-helixtrans-67.9-38177.8-62.90000112.1T194 V200 V273 E277T194-V196 PolarHBondContact O-N 3.44Å; T194-V196 VanDerWaalsContact O-N 3.12Å; V196-V200 PolarHBondContact O-N 3.04Å; V196-V273 HydrophobicContact CG2-CG1 4.08Å; V196-E277 HydrophobicContact CB-CG 4.18Å; V196-E277 HydrophobicContact CG1-CG 4.11Å; V196-E277 HydrophobicContact CG2-CG 3.94Å
197V95.8Very high95Very high0 Ų031.4 Ų31.40%018%0.178CC..Hα-helixtrans-75-40.6175.4178.60000110.6T194 A199 V200 A201 F249 F255 V272 V273 C276T194-V197 PolarHBondContact O-N 3.14Å; T194-V197 WeakPolarHBondContact OG1-CB 3.47Å; T194-V197 WeakPolarHBondContact OG1-CG2 3.46Å; V197-A199 VanDerWaalsContact C-N 3.26Å; V197-A199 PolarHBondContact O-N 3.31Å; V197-V200 PolarHBondContact O-N 3.17Å; V197-V200 VanDerWaalsContact O-N 3.16Å; V197-A201 WeakPolarHBondContact O-CB 3.37Å; V197-A201 PolarHBondContact O-N 3.43Å; V197-F249 HydrophobicContact CG1-CD1 4.16Å; V197-F249 HydrophobicContact CG1-CE1 3.69Å; V197-F249 HydrophobicContact CG1-CZ 4.47Å; V197-F255 HydrophobicContact CB-CD1 3.94Å; V197-F255 HydrophobicContact CB-CE1 4.36Å; V197-F255 HydrophobicContact CG1-CB 3.76Å; V197-F255 HydrophobicContact CG1-CD1 3.39Å; V197-F255 HydrophobicContact CG1-CE1 4.24Å; V197-F255 HydrophobicContact CG1-CG 3.85Å; V197-F255 HydrophobicContact CG2-CD1 4Å; V197-F255 HydrophobicContact CG2-CE1 4.02Å; V197-V272 HydrophobicContact CG1-CG1 4.39Å; V197-V272 HydrophobicContact CG2-CG1 4.04Å; V197-V273 HydrophobicContact CG2-CG2 4.04Å; V197-C276 HydrophobicContact CG2-CB 3.95Å
198G94.2Very high95.1Very high19 Ų1929.3 Ų29.320%0.19617%0.172CC..Hα-helixtrans-56.7-39.717300000112.5T194 P195 A201 A202T194-G198 PolarHBondContact O-N 2.85Å; P195-G198 PolarHBondContact O-N 3.44Å; G198-A201 PolarHBondContact O-N 3.2Å; G198-A202 PolarHBondContact O-N 3.13Å; G198-A202 VanDerWaalsContact O-N 3.1Å
199A95.8Very high95Very high40 Ų4030.4 Ų30.433%0.33118%0.178SC..Hα-helixtrans-62.7-45.1175.100000112.5P195 V197 A202 M203 I280P195-A199 WeakPolarHBondContact O-CB 2.94Å; P195-A199 PolarHBondContact O-N 2.94Å; V197-A199 VanDerWaalsContact C-N 3.26Å; V197-A199 PolarHBondContact O-N 3.31Å; A199-A202 PolarHBondContact O-N 2.97Å; A199-M203 WeakPolarHBondContact O-CG 3.35Å; A199-I280 HydrophobicContact CB-CD1 3.71Å; A199-I280 HydrophobicContact CB-CG1 4.33Å
200V97.2Very high94.9Very high0 Ų032.1 Ų32.10%019%0.188CC..Hα-helixtrans-67.5-39.9175.9172.30000111.7V196 V197 A202 M203 F207 F249 C276 Q279 I280V196-V200 PolarHBondContact O-N 3.04Å; V197-V200 PolarHBondContact O-N 3.17Å; V197-V200 VanDerWaalsContact O-N 3.16Å; V200-A202 PolarHBondContact O-N 3.09Å; V200-M203 WeakPolarHBondContact O-CB 3.41Å; V200-M203 PolarHBondContact O-N 3.27Å; V200-F207 HydrophobicContact CG1-CB 4.46Å; V200-F207 HydrophobicContact CG1-CD2 4.49Å; V200-F249 HydrophobicContact CG1-CE1 4.08Å; V200-C276 HydrophobicContact CB-CB 4.39Å; V200-C276 HydrophobicContact CG2-CB 3.81Å; V200-Q279 HydrophobicContact CG2-CB 4.4Å; V200-Q279 HydrophobicContact CG2-CG 4.45Å; V200-I280 HydrophobicContact CG2-CD1 3.74Å; V200-I280 HydrophobicContact CG2-CG1 3.93Å
201A96.4Very high94.8Very high0 Ų032.8 Ų32.80%019%0.192CC..Hα-helixtrans-61.8-25.817700000112.9V197 G198 F249 R251 N252V197-A201 WeakPolarHBondContact O-CB 3.37Å; V197-A201 PolarHBondContact O-N 3.43Å; G198-A201 PolarHBondContact O-N 3.2Å; A201-F249 HydrophobicContact CB-CD1 4.04Å; A201-R251 WeakPolarHBondContact O-CA 3.33Å; A201-N252 PolarHBondContact O-N 2.76Å
202A95.5Very high94.7Very high55 Ų5539.6 Ų39.646%0.45522%0.224SC..THydrogen-bonded Turntrans-84.9-7.6175.200000113.8G198 A199 V200G198-A202 PolarHBondContact O-N 3.13Å; G198-A202 VanDerWaalsContact O-N 3.1Å; A199-A202 PolarHBondContact O-N 2.97Å; V200-A202 PolarHBondContact O-N 3.09Å
203M95.2Very high94.8Very high46 Ų4642.2 Ų42.223%0.22724%0.236CC..SBendtrans-81.9140179.7-64.9-179.117400111.7A199 V200 C205 G206 R251 I280 V283A199-M203 WeakPolarHBondContact O-CG 3.35Å; V200-M203 WeakPolarHBondContact O-CB 3.41Å; V200-M203 PolarHBondContact O-N 3.27Å; M203-C205 VanDerWaalsContact C-N 3.26Å; M203-C205 PolarHBondContact O-N 2.95Å; M203-G206 PolarHBondContact O-N 3.42Å; M203-R251 PolarHBondContact O-NH1 3.24Å; M203-I280 HydrophobicContact CE-CD1 3.31Å; M203-I280 HydrophobicContact SD-CD1 4.35Å; M203-V283 HydrophobicContact CE-CG2 4.07Å
204K94.6Very high95Very high211 Ų21141.3 Ų41.392%0.91723%0.233SC*.THydrogen-bonded Turntrans-58.5-38.3171.3-78.8-173.9175.8-178.90112.5G206K204-G206 PolarHBondContact O-N 3.45Å
205C93.9Very high95Very high41 Ų4142.3 Ų42.328%0.27724%0.238SC..THydrogen-bonded Turntrans-71.4-16.4177.760.50000113.7M203 L208 I287M203-C205 VanDerWaalsContact C-N 3.26Å; M203-C205 PolarHBondContact O-N 2.95Å; C205-L208 HydrophobicContact CB-CD1 4.37Å; C205-L208 HydrophobicContact CB-CD2 4.17Å; C205-L208 HydrophobicContact CB-CG 4.46Å; C205-I287 HydrophobicContact CB-CD1 4.22Å; C205-I287 HydrophobicContact CB-CG2 4.48Å
206G95.6Very high95Very high1 Ų139.5 Ų39.51%0.0122%0.217CC..  trans59.2-151.8-176.800000112.9M203 K204 Y222 Q279M203-G206 PolarHBondContact O-N 3.42Å; K204-G206 PolarHBondContact O-N 3.45Å; G206-Y222 WeakPolarHBondContact CA-OH 3.09Å; G206-Q279 PolarHBondContact O-NE2 2.84Å
207F96.7Very high94.9Very high19 Ų1938.1 Ų38.18%0.08321%0.209CC..SBendtrans-74.1120.7175.9-169.9-107.1000112.1V200 A214 V217 V220 Y222 F249 A275V200-F207 HydrophobicContact CG1-CB 4.46Å; V200-F207 HydrophobicContact CG1-CD2 4.49Å; F207-A214 HydrophobicContact CE1-CB 3.85Å; F207-A214 HydrophobicContact CZ-CB 3.8Å; F207-V217 HydrophobicContact CE1-CB 4.12Å; F207-V217 HydrophobicContact CE1-CG1 4.06Å; F207-V217 HydrophobicContact CZ-CB 4.16Å; F207-V217 HydrophobicContact CZ-CG1 4.28Å; F207-V217 HydrophobicContact CZ-CG2 4.25Å; F207-V220 HydrophobicContact CB-CG2 4.03Å; F207-V220 HydrophobicContact CD1-CG1 3.86Å; F207-V220 HydrophobicContact CD1-CG2 4.23Å; F207-V220 HydrophobicContact CE1-CG1 4.21Å; F207-V220 HydrophobicContact CG-CG2 4.5Å; F207-Y222 WeakPolarHBondContact CB-OH 3.35Å; F207-Y222 PolarHBondContact N-OH 3.31Å; F207-F249 HydrophobicContact CB-CD2 4.37Å; F207-F249 HydrophobicContact CB-CE1 4.43Å; F207-F249 HydrophobicContact CB-CE2 3.8Å; F207-F249 HydrophobicContact CB-CZ 3.84Å; F207-F249 HydrophobicContact CD2-CE1 4.24Å; F207-F249 AromaticContact CD2-CE2 3.9Å; F207-F249 HydrophobicContact CD2-CE2 3.9Å; F207-F249 AromaticContact CD2-CZ 3.38Å; F207-F249 HydrophobicContact CD2-CZ 3.38Å; F207-F249 HydrophobicContact CE2-CZ 4.03Å; F207-F249 AromaticContact CG-CE2 3.85Å; F207-F249 HydrophobicContact CG-CE2 3.85Å; F207-F249 AromaticContact CG-CZ 3.78Å; F207-F249 HydrophobicContact CG-CZ 3.78Å; F207-A275 HydrophobicContact CE2-CB 3.45Å; F207-A275 VanDerWaalsContact CE2-CB 3.45Å; F207-A275 HydrophobicContact CZ-CB 3.46Å; F207-A275 VanDerWaalsContact CZ-CB 3.46Å
208L95.6Very high94.6Very high18 Ų1839.8 Ų39.89%0.09423%0.225CC..  trans-105.4141.3-174.8-63.8176.5000112.4C205 I210 A214 L290 L292C205-L208 HydrophobicContact CB-CD1 4.37Å; C205-L208 HydrophobicContact CB-CD2 4.17Å; C205-L208 HydrophobicContact CB-CG 4.46Å; L208-I210 HydrophobicContact CB-CG1 4.46Å; L208-I210 HydrophobicContact CB-CG2 3.87Å; L208-I210 PolarHBondContact O-N 2.86Å; L208-A214 WeakPolarHBondContact O-CB 3.39Å; L208-L290 HydrophobicContact CD1-CD1 3.89Å; L208-L292 HydrophobicContact CB-CD2 4.36Å; L208-L292 HydrophobicContact CD2-CD2 4.27Å
209P95.1Very high94.5Very high22 Ų2244.3 Ų44.314%0.14325%0.249CC..SBendtrans-81.662.1179.536.9-40000112.1L215 S293 K298P209-L215 HydrophobicContact CB-CD2 4.04Å; P209-S293 VanDerWaalsContact O-CB 3.29Å; P209-S293 WeakPolarHBondContact O-CB 3.38Å; P209-S293 PolarHBondContact O-N 3.27Å; P209-S293 VanDerWaalsContact O-N 3.14Å; P209-S293 PolarHBondContact O-OG 3.36Å; P209-K298 HydrophobicContact CB-CD 4.47Å; P209-K298 VanDerWaalsContact CB-CE 3.45Å; P209-K298 VanDerWaalsContact CG-CE 3.41Å
210I94.4Very high94.5Very high37 Ų3743.8 Ų43.819%0.1924%0.242CC..  trans-107.7-6.6-172.460.5162.3000114.4L208 Q279 A282 L290 L292L208-I210 HydrophobicContact CB-CG1 4.46Å; L208-I210 HydrophobicContact CB-CG2 3.87Å; L208-I210 PolarHBondContact O-N 2.86Å; I210-Q279 HydrophobicContact CD1-CB 3.89Å; I210-Q279 HydrophobicContact CD1-CG 4.12Å; I210-A282 HydrophobicContact CD1-CB 3.84Å; I210-L290 HydrophobicContact CG2-CB 4.43Å; I210-L290 HydrophobicContact CG2-CD1 4.47Å; I210-L292 HydrophobicContact CG2-CD2 3.7Å
211S94.6Very high94.5Very high14 Ų1444.5 Ų44.510%0.09825%0.247CC..SBendtrans-136.1163.4179.586.70000110.7E213 A214 L215S211-E213 VanDerWaalsContact C-N 3.26Å; S211-E213 WeakPolarHBondContact CB-OE2 3.37Å; S211-E213 PolarHBondContact O-N 2.98Å; S211-E213 PolarHBondContact OG-N 3.2Å; S211-E213 PolarHBondContact OG-OE2 3.22Å; S211-A214 WeakPolarHBondContact O-CB 3.49Å; S211-A214 PolarHBondContact O-N 3.37Å; S211-A214 VanDerWaalsContact O-N 3.17Å; S211-A214 PolarHBondContact OG-N 3.04Å; S211-L215 WeakPolarHBondContact O-CG 3.39Å; S211-L215 PolarHBondContact O-N 3.16Å; S211-L215 VanDerWaalsContact O-N 3.11Å
212Q93.1Very high94.6Very high144 Ų14447.4 Ų47.467%0.67326%0.259SS*.Hα-helixtrans-61-38.4177.3-178.8176.3-22.900111.5A214 L215 I216Q212-A214 VanDerWaalsContact C-N 3.31Å; Q212-A214 PolarHBondContact O-N 2.52Å; Q212-L215 WeakPolarHBondContact O-CB 3Å; Q212-L215 PolarHBondContact O-N 2.77Å; Q212-L215 VanDerWaalsContact O-N 3.15Å; Q212-I216 HydrophobicContact CG-CD1 4.16Å; Q212-I216 WeakPolarHBondContact O-CG1 3.32Å; Q212-I216 PolarHBondContact O-N 3.44Å
213E94.7Very high94.6Very high55 Ų5545.3 Ų45.326%0.25724%0.239SC..Hα-helixtrans-62.4-39.5176.6-57.274.9-160.900111S211 L215 I216 V217 N271 L274 A275S211-E213 VanDerWaalsContact C-N 3.26Å; S211-E213 WeakPolarHBondContact CB-OE2 3.37Å; S211-E213 PolarHBondContact O-N 2.98Å; S211-E213 PolarHBondContact OG-N 3.2Å; S211-E213 PolarHBondContact OG-OE2 3.22Å; E213-L215 VanDerWaalsContact C-N 3.32Å; E213-L215 PolarHBondContact O-N 3.39Å; E213-I216 PolarHBondContact O-N 3.05Å; E213-V217 WeakPolarHBondContact O-CG2 3.38Å; E213-V217 PolarHBondContact O-N 3.33Å; E213-V217 VanDerWaalsContact O-N 3.08Å; E213-N271 HydrophobicContact CB-CB 4.22Å; E213-L274 HydrophobicContact CB-CB 4.34Å; E213-L274 HydrophobicContact CG-CB 3.94Å; E213-L274 HydrophobicContact CG-CD1 4.18Å; E213-A275 HydrophobicContact CB-CB 4.04Å
214A95.2Very high94.4Very high3 Ų347.6 Ų47.63%0.02525%0.252CS..Hα-helixtrans-64.2-38.1174.700000112.1F207 L208 S211 Q212 V217 G218 A275F207-A214 HydrophobicContact CE1-CB 3.85Å; F207-A214 HydrophobicContact CZ-CB 3.8Å; L208-A214 WeakPolarHBondContact O-CB 3.39Å; S211-A214 WeakPolarHBondContact O-CB 3.49Å; S211-A214 PolarHBondContact O-N 3.37Å; S211-A214 VanDerWaalsContact O-N 3.17Å; S211-A214 PolarHBondContact OG-N 3.04Å; Q212-A214 VanDerWaalsContact C-N 3.31Å; Q212-A214 PolarHBondContact O-N 2.52Å; A214-V217 PolarHBondContact O-N 3.46Å; A214-G218 PolarHBondContact O-N 3.06Å; A214-G218 VanDerWaalsContact O-N 3.15Å; A214-A275 HydrophobicContact CB-CB 3.94Å
215L93.5Very high93.6Very high26 Ų2644.4 Ų44.414%0.13624%0.236CC..Hα-helixtrans-69.3-34.2175.6-61.7178.9000112.7P209 S211 Q212 E213 G218 K298 A301P209-L215 HydrophobicContact CB-CD2 4.04Å; S211-L215 WeakPolarHBondContact O-CG 3.39Å; S211-L215 PolarHBondContact O-N 3.16Å; S211-L215 VanDerWaalsContact O-N 3.11Å; Q212-L215 WeakPolarHBondContact O-CB 3Å; Q212-L215 PolarHBondContact O-N 2.77Å; Q212-L215 VanDerWaalsContact O-N 3.15Å; E213-L215 VanDerWaalsContact C-N 3.32Å; E213-L215 PolarHBondContact O-N 3.39Å; L215-G218 PolarHBondContact O-N 2.9Å; L215-K298 HydrophobicContact CD2-CB 4.44Å; L215-K298 HydrophobicContact CD2-CG 3.65Å; L215-A301 HydrophobicContact CB-CB 3.71Å; L215-A301 HydrophobicContact CD1-CB 4.45Å
216I92Very high92.8Very high37 Ų3747.5 Ų47.519%0.1925%0.246CC..Hα-helixtrans-64.5-41.9174.6-72.8165.1000111.1Q212 E213 G218 Y267 N271Q212-I216 HydrophobicContact CG-CD1 4.16Å; Q212-I216 WeakPolarHBondContact O-CG1 3.32Å; Q212-I216 PolarHBondContact O-N 3.44Å; E213-I216 PolarHBondContact O-N 3.05Å; I216-G218 VanDerWaalsContact C-N 3.29Å; I216-Y267 HydrophobicContact CG2-CD1 4.42Å; I216-Y267 HydrophobicContact CG2-CE1 3.42Å; I216-Y267 VanDerWaalsContact CG2-CE1 3.42Å; I216-Y267 WeakPolarHBondContact CG2-OH 3.46Å; I216-N271 HydrophobicContact CG2-CB 4.34Å
217V93.6Very high91.6Very high13 Ų1348.7 Ų48.78%0.07926%0.258CS..Hα-helixtrans-63.1-39.9175.71720000110.9F207 E213 A214 V220 V247 N271 V272F207-V217 HydrophobicContact CE1-CB 4.12Å; F207-V217 HydrophobicContact CE1-CG1 4.06Å; F207-V217 HydrophobicContact CZ-CB 4.16Å; F207-V217 HydrophobicContact CZ-CG1 4.28Å; F207-V217 HydrophobicContact CZ-CG2 4.25Å; E213-V217 WeakPolarHBondContact O-CG2 3.38Å; E213-V217 PolarHBondContact O-N 3.33Å; E213-V217 VanDerWaalsContact O-N 3.08Å; A214-V217 PolarHBondContact O-N 3.46Å; V217-V220 HydrophobicContact CG1-CG1 3.65Å; V217-V247 HydrophobicContact CG1-CB 4.1Å; V217-V247 HydrophobicContact CG1-CG1 4.41Å; V217-V247 HydrophobicContact CG1-CG2 3.89Å; V217-N271 HydrophobicContact CG2-CB 3.76Å; V217-V272 HydrophobicContact CB-CG2 4.48Å; V217-V272 HydrophobicContact CG1-CG2 3.93Å; V217-V272 HydrophobicContact CG2-CG2 3.65Å
218G90.9Very high90Very high34 Ų3455 Ų5535%0.35130%0.299SS..  trans74.8-138.7177.600000112.5A214 L215 I216A214-G218 PolarHBondContact O-N 3.06Å; A214-G218 VanDerWaalsContact O-N 3.15Å; L215-G218 PolarHBondContact O-N 2.9Å; I216-G218 VanDerWaalsContact C-N 3.29Å
219T91.7Very high88.5Confident114 Ų11456.3 Ų56.370%0.69932%0.316SS*.  trans-72.9129.1-177.152.50000111.5
220V96Very high87.8Confident30 Ų3059.3 Ų59.318%0.18233%0.331CS..EExtended strand (participates in β ladder)trans-115.7150.2176.6-52.40000110.2F207 V217 Y222 V247 F249F207-V220 HydrophobicContact CB-CG2 4.03Å; F207-V220 HydrophobicContact CD1-CG1 3.86Å; F207-V220 HydrophobicContact CD1-CG2 4.23Å; F207-V220 HydrophobicContact CE1-CG1 4.21Å; F207-V220 HydrophobicContact CG-CG2 4.5Å; V217-V220 HydrophobicContact CG1-CG1 3.65Å; V220-Y222 HydrophobicContact CG2-CE2 3.89Å; V220-V247 VanDerWaalsContact CA-O 3.3Å; V220-V247 WeakPolarHBondContact CA-O 3.33Å; V220-V247 HydrophobicContact CG1-CB 4.1Å; V220-V247 HydrophobicContact CG1-CG1 4.1Å; V220-F249 HydrophobicContact CB-CD2 4.11Å; V220-F249 HydrophobicContact CB-CE2 4.22Å; V220-F249 HydrophobicContact CG1-CD2 4.45Å; V220-F249 HydrophobicContact CG1-CE2 4.07Å; V220-F249 HydrophobicContact CG2-CD2 4.12Å; V220-F249 HydrophobicContact CG2-CE2 4.29Å
221S97.3Very high87.2Confident15 Ų1562.4 Ų62.411%0.10534%0.344CS..EExtended strand (participates in β ladder)trans-105.9172.2168.660.60000111.9D241 V247 M248 F249S221-D241 WeakPolarHBondContact CB-O 3.49Å; S221-D241 PolarHBondContact OG-O 3.12Å; S221-V247 PolarHBondContact N-O 3.33Å; S221-M248 CarbonylContact O-C 3.58Å; S221-M248 WeakPolarHBondContact O-CA 3.3Å; S221-M248 WeakPolarHBondContact OG-CB 2.94Å; S221-M248 WeakPolarHBondContact OG-CG 3.45Å; S221-F249 PolarHBondContact O-N 3.36Å
222Y97.1Very high86.8Confident61 Ų6166.5 Ų66.524%0.23937%0.365CS..EExtended strand (participates in β ladder)trans-131141.3179.5-65.9-94.1000109.6G206 F207 V220 F249 R251G206-Y222 WeakPolarHBondContact CA-OH 3.09Å; F207-Y222 WeakPolarHBondContact CB-OH 3.35Å; F207-Y222 PolarHBondContact N-OH 3.31Å; V220-Y222 HydrophobicContact CG2-CE2 3.89Å; Y222-F249 CarbonylContact C-O 3.55Å; Y222-F249 VanDerWaalsContact CA-O 3.31Å; Y222-F249 WeakPolarHBondContact CA-O 3.33Å; Y222-F249 HydrophobicContact CD1-CB 3.67Å; Y222-F249 HydrophobicContact CE1-CB 3.72Å; Y222-F249 HydrophobicContact CE1-CG 4.18Å; Y222-R251 HydrophobicContact CD1-CG 4.38Å
223H95.2Very high86.5Confident10 Ų1065.7 Ų65.75%0.04636%0.361CS..EExtended strand (participates in β ladder)trans-125.1126.5169-179.472.5000108.1S237 D241 M248 F249 L250 R251H223-S237 PolarHBondContact CE1-OG 3.06Å; H223-D241 HydrophobicContact CB-CB 4.24Å; H223-D241 IonicContact CE1-OD2 3.37Å; H223-D241 IonicContact CG-OD2 3.84Å; H223-D241 IonicContact ND1-OD2 3.92Å; H223-D241 PolarHBondContact ND1-OD2 3.38Å; H223-M248 HydrophobicContact CB-CE 4.05Å; H223-M248 HydrophobicContact CB-CG 4.24Å; H223-M248 HydrophobicContact CB-SD 3.83Å; H223-F249 PolarHBondContact N-O 2.93Å; H223-L250 HydrophobicContact CB-CD2 3.83Å; H223-L250 CarbonylContact O-C 3.54Å; H223-L250 WeakPolarHBondContact O-CA 3.35Å; H223-R251 PolarHBondContact O-N 2.77Å
224D92.2Very high86.1Confident95 Ų9565.6 Ų65.651%0.50836%0.361SS..  trans-77.6135.4-179.9-70.6-15.1000109.8Q226 R251D224-Q226 VanDerWaalsContact O-CG 3.28Å; D224-Q226 WeakPolarHBondContact O-CG 3.46Å; D224-Q226 PolarHBondContact O-N 2.87Å; D224-Q226 VanDerWaalsContact O-N 3.16Å; D224-R251 WeakPolarHBondContact OD1-CD 3.39Å; D224-R251 WeakPolarHBondContact OD1-CG 3.4Å; D224-R251 IonicContact OD1-NE 3.33Å; D224-R251 PolarHBondContact OD1-NE 2.59Å; D224-R251 VanDerWaalsContact OD1-NE 3.1Å
225Y78Confident85.8Confident144 Ų14468.7 Ų68.757%0.56537%0.372SS*.  trans-66.2115.3179.8-178.5-98.4000111.1R251 H253Y225-R251 WeakPolarHBondContact CB-O 3.32Å; Y225-H253 HydrophobicContact CD2-CB 4.27Å
226Q75.8Confident85.7Confident106 Ų10671.4 Ų71.450%0.49539%0.393SS..  trans-96.7-6.3-176.6-53.4-167.9-9.900113.7D224 S237D224-Q226 VanDerWaalsContact O-CG 3.28Å; D224-Q226 WeakPolarHBondContact O-CG 3.46Å; D224-Q226 PolarHBondContact O-N 2.87Å; D224-Q226 VanDerWaalsContact O-N 3.16Å; Q226-S237 PolarHBondContact NE2-OG 2.98Å
227G70.8Confident85.8Confident25 Ų2570.9 Ų70.926%0.25839%0.393SS..  trans72.5-154.1-175.200000112.7G229G227-G229 PolarHBondContact O-N 3.09Å
228T62.4Low85.8Confident153 Ų15370.3 Ų70.394%0.93939%0.389SS*.SBendtrans-79.484.8178.353.50000110
229G65.3Low85.9Confident44 Ų4470.3 Ų70.345%0.45439%0.386SS..  trans-96.4-171.2179.300000114.1G227G227-G229 PolarHBondContact O-N 3.09Å
230N80.5Confident86.1Confident86 Ų8669.6 Ų69.646%0.4639%0.385SS..  trans-71.4120.4168.9178.71.3000109.4D232 E233 E234N230-D232 VanDerWaalsContact C-N 3.25Å; N230-D232 PolarHBondContact O-N 2.75Å; N230-D232 PolarHBondContact OD1-N 2.73Å; N230-E233 HydrophobicContact CB-CB 4.26Å; N230-E233 HydrophobicContact CB-CG 4.28Å; N230-E233 PolarHBondContact ND2-OE1 3.36Å; N230-E233 PolarHBondContact O-N 3.46Å; N230-E234 PolarHBondContact O-N 3.48Å
231E81.5Confident86.1Confident101 Ų10170.9 Ų70.947%0.47239%0.39SS..Hα-helixtrans-55-37.7-175.1-71.5-169.1-165.400113.4E234 R235E231-E234 PolarHBondContact O-N 2.86Å; E231-R235 WeakPolarHBondContact O-CB 3.4Å; E231-R235 WeakPolarHBondContact O-CG 3.48Å; E231-R235 PolarHBondContact O-N 3.31Å; E231-R235 IonicContact OE2-CZ 3.57Å; E231-R235 IonicContact OE2-NH2 3.66Å; E231-R235 PolarHBondContact OE2-NH2 3.01Å
232D85.2Confident86Confident100 Ų10070.2 Ų70.254%0.53539%0.386SS..Hα-helixtrans-72.5-35-176.5-72.1-30.6000112.5N230 R235 S236N230-D232 VanDerWaalsContact C-N 3.25Å; N230-D232 PolarHBondContact O-N 2.75Å; N230-D232 PolarHBondContact OD1-N 2.73Å; D232-R235 IonicContact OD1-NH1 3.57Å; D232-S236 WeakPolarHBondContact O-CB 3.33Å; D232-S236 PolarHBondContact O-N 3.16Å; D232-S236 VanDerWaalsContact O-N 3.16Å; D232-S236 PolarHBondContact O-OG 2.92Å
233E86.6Confident85.8Confident127 Ų12769 Ų6959%0.59339%0.391SS*.Hα-helixtrans-69.5-42.5173.1-72.6170.2-14700110.5N230 S236 S237N230-E233 HydrophobicContact CB-CB 4.26Å; N230-E233 HydrophobicContact CB-CG 4.28Å; N230-E233 PolarHBondContact ND2-OE1 3.36Å; N230-E233 PolarHBondContact O-N 3.46Å; E233-S236 PolarHBondContact O-N 3.29Å; E233-S237 VanDerWaalsContact O-CB 3.3Å; E233-S237 WeakPolarHBondContact O-CB 3.33Å; E233-S237 PolarHBondContact O-N 3.33Å
234E87.2Confident85.7Confident54 Ų5475.9 Ų75.925%0.25243%0.428SS..Hα-helixtrans-61.6-47.1176.9-171.7-179.5179.800111.1N230 E231 S236 S237 I238N230-E234 PolarHBondContact O-N 3.48Å; E231-E234 PolarHBondContact O-N 2.86Å; E234-S236 VanDerWaalsContact C-N 3.32Å; E234-S236 PolarHBondContact O-N 3.48Å; E234-S237 PolarHBondContact O-N 2.82Å; E234-I238 HydrophobicContact CG-CD1 3.77Å; E234-I238 HydrophobicContact CG-CG1 4.42Å; E234-I238 WeakPolarHBondContact O-CB 3.44Å; E234-I238 VanDerWaalsContact O-CG1 3.26Å; E234-I238 WeakPolarHBondContact O-CG1 3.41Å; E234-I238 PolarHBondContact O-N 3.22Å
235R89.8Confident85.8Confident68 Ų6872.2 Ų72.226%0.25741%0.41SS..Hα-helixtrans-57.2-44.8176.1-74.6169.6-173.9174.76.3111.9V174 A178 E231 D232 A239V174-R235 HydrophobicContact CG1-CG 3.93Å; A178-R235 HydrophobicContact CB-CB 4.1Å; A178-R235 HydrophobicContact CB-CG 4Å; E231-R235 WeakPolarHBondContact O-CB 3.4Å; E231-R235 WeakPolarHBondContact O-CG 3.48Å; E231-R235 PolarHBondContact O-N 3.31Å; E231-R235 IonicContact OE2-CZ 3.57Å; E231-R235 IonicContact OE2-NH2 3.66Å; E231-R235 PolarHBondContact OE2-NH2 3.01Å; D232-R235 IonicContact OD1-NH1 3.57Å; R235-A239 WeakPolarHBondContact O-CB 3.36Å; R235-A239 PolarHBondContact O-N 3.37Å
236S91.5Very high86.7Confident82 Ų8269.3 Ų69.357%0.57340%0.4SS*.Hα-helixtrans-67.3-40.3179.9-58.80000111.8D232 E233 E234 A239 C240D232-S236 WeakPolarHBondContact O-CB 3.33Å; D232-S236 PolarHBondContact O-N 3.16Å; D232-S236 VanDerWaalsContact O-N 3.16Å; D232-S236 PolarHBondContact O-OG 2.92Å; E233-S236 PolarHBondContact O-N 3.29Å; E234-S236 VanDerWaalsContact C-N 3.32Å; E234-S236 PolarHBondContact O-N 3.48Å; S236-A239 PolarHBondContact O-N 3.1Å; S236-C240 PolarHBondContact O-N 3.35Å; S236-C240 VanDerWaalsContact O-N 3.08Å
237S93.3Very high87.7Confident26 Ų2664.3 Ų64.318%0.18238%0.377CS..Hα-helixtrans-63.9-49.7176.4-172.50000111.5H223 Q226 E233 E234 A239 C240 D241H223-S237 PolarHBondContact CE1-OG 3.06Å; Q226-S237 PolarHBondContact NE2-OG 2.98Å; E233-S237 VanDerWaalsContact O-CB 3.3Å; E233-S237 WeakPolarHBondContact O-CB 3.33Å; E233-S237 PolarHBondContact O-N 3.33Å; E234-S237 PolarHBondContact O-N 2.82Å; S237-A239 VanDerWaalsContact C-N 3.3Å; S237-A239 PolarHBondContact O-N 3.4Å; S237-C240 WeakPolarHBondContact O-CB 3.27Å; S237-C240 PolarHBondContact O-N 3.25Å; S237-C240 VanDerWaalsContact O-N 3.1Å; S237-D241 WeakPolarHBondContact O-CB 3.29Å; S237-D241 PolarHBondContact O-N 2.88Å
238I93.4Very high89Confident1 Ų163.1 Ų63.11%0.00537%0.365CS..Hα-helixtrans-56.7-44.2175.6-71.8167000111.2L175 A178 I179 E234 C240 D241 I242 M248L175-I238 HydrophobicContact CD1-CD1 3.8Å; L175-I238 HydrophobicContact CD1-CG1 4.34Å; L175-I238 HydrophobicContact CD1-CG2 4Å; A178-I238 HydrophobicContact CB-CB 4.23Å; A178-I238 HydrophobicContact CB-CG2 3.88Å; I179-I238 HydrophobicContact CD1-CG2 4.39Å; I179-I238 HydrophobicContact CG1-CG2 3.69Å; E234-I238 HydrophobicContact CG-CD1 3.77Å; E234-I238 HydrophobicContact CG-CG1 4.42Å; E234-I238 WeakPolarHBondContact O-CB 3.44Å; E234-I238 VanDerWaalsContact O-CG1 3.26Å; E234-I238 WeakPolarHBondContact O-CG1 3.41Å; E234-I238 PolarHBondContact O-N 3.22Å; I238-C240 VanDerWaalsContact C-N 3.31Å; I238-C240 PolarHBondContact O-N 2.99Å; I238-D241 PolarHBondContact O-N 2.91Å; I238-I242 WeakPolarHBondContact O-CB 3.35Å; I238-I242 VanDerWaalsContact O-CG2 3.28Å; I238-I242 WeakPolarHBondContact O-CG2 3.5Å; I238-I242 PolarHBondContact O-N 2.92Å; I238-M248 HydrophobicContact CG2-CE 4.2Å
239A93.3Very high90.6Very high34 Ų3455.8 Ų55.828%0.28132%0.32SS..Hα-helixtrans-63.3-36178.800000112.7A182 R235 S236 S237 I242A182-A239 HydrophobicContact CB-CB 3.63Å; R235-A239 WeakPolarHBondContact O-CB 3.36Å; R235-A239 PolarHBondContact O-N 3.37Å; S236-A239 PolarHBondContact O-N 3.1Å; S237-A239 VanDerWaalsContact C-N 3.3Å; S237-A239 PolarHBondContact O-N 3.4Å; A239-I242 WeakPolarHBondContact O-CG2 3.37Å
240C95Very high92Very high100 Ų10054 Ų5468%0.67630%0.3SS*.Hα-helixtrans-70.6-50.6175.2-1690000111.2S236 S237 I238 I242 G243S236-C240 PolarHBondContact O-N 3.35Å; S236-C240 VanDerWaalsContact O-N 3.08Å; S237-C240 WeakPolarHBondContact O-CB 3.27Å; S237-C240 PolarHBondContact O-N 3.25Å; S237-C240 VanDerWaalsContact O-N 3.1Å; I238-C240 VanDerWaalsContact C-N 3.31Å; I238-C240 PolarHBondContact O-N 2.99Å; C240-I242 PolarHBondContact O-N 3.42Å; C240-G243 PolarHBondContact O-N 3.38Å
241D96.2Very high92.7Very high57 Ų5752.9 Ų52.931%0.30529%0.29SS..Hα-helixtrans-68.4-35.6-173-72.7-14.7000112.8S221 H223 S237 I238 G243 M248S221-D241 WeakPolarHBondContact CB-O 3.49Å; S221-D241 PolarHBondContact OG-O 3.12Å; H223-D241 HydrophobicContact CB-CB 4.24Å; H223-D241 IonicContact CE1-OD2 3.37Å; H223-D241 IonicContact CG-OD2 3.84Å; H223-D241 IonicContact ND1-OD2 3.92Å; H223-D241 PolarHBondContact ND1-OD2 3.38Å; S237-D241 WeakPolarHBondContact O-CB 3.29Å; S237-D241 PolarHBondContact O-N 2.88Å; I238-D241 PolarHBondContact O-N 2.91Å; D241-G243 VanDerWaalsContact C-N 3.29Å; D241-G243 PolarHBondContact O-N 3.44Å; D241-M248 HydrophobicContact CB-SD 4.05Å
242I95.2Very high93.2Very high1 Ų153.6 Ų53.61%0.00530%0.296CS..Hα-helixtrans-64.2-36.9176-169.361.7000111.4I238 A239 C240 N244 S245 M248I238-I242 WeakPolarHBondContact O-CB 3.35Å; I238-I242 VanDerWaalsContact O-CG2 3.28Å; I238-I242 WeakPolarHBondContact O-CG2 3.5Å; I238-I242 PolarHBondContact O-N 2.92Å; A239-I242 WeakPolarHBondContact O-CG2 3.37Å; C240-I242 PolarHBondContact O-N 3.42Å; I242-N244 PolarHBondContact O-N 3.27Å; I242-S245 WeakPolarHBondContact CD1-O 3.28Å; I242-S245 WeakPolarHBondContact O-CB 3.4Å; I242-S245 PolarHBondContact O-N 2.88Å; I242-M248 HydrophobicContact CB-SD 3.97Å; I242-M248 HydrophobicContact CD1-CB 3.52Å; I242-M248 HydrophobicContact CD1-CG 4.41Å; I242-M248 HydrophobicContact CD1-SD 4.08Å
243G93.1Very high93.5Very high34 Ų3451 Ų5135%0.35128%0.281SS..THydrogen-bonded Turntrans41.9-127.4-175.600000112.6R183 C240 D241R183-G243 PolarHBondContact NH1-O 2.79Å; C240-G243 PolarHBondContact O-N 3.38Å; D241-G243 VanDerWaalsContact C-N 3.29Å; D241-G243 PolarHBondContact O-N 3.44Å
244N93.4Very high93.8Very high155 Ų15544.9 Ų44.983%0.82925%0.253SS*.THydrogen-bonded Turntrans-91.4-3.2176.6-66.8-36.5000113.7R183 I242R183-N244 PolarHBondContact NH1-O 3.01Å; I242-N244 PolarHBondContact O-N 3.27Å
245S94.8Very high94.2Very high19 Ų1942.3 Ų42.313%0.13324%0.241CC..  trans-69.6136.6-177.1-64.20000111.5R183 I242R183-S245 PolarHBondContact NH1-O 3.44Å; I242-S245 WeakPolarHBondContact CD1-O 3.28Å; I242-S245 WeakPolarHBondContact O-CB 3.4Å; I242-S245 PolarHBondContact O-N 2.88Å
246K95.6Very high94.5Very high82 Ų8239.1 Ų39.136%0.35723%0.228SC..SBendtrans-82.9-17.1175.8-67.5-174-177.8174.60112.8C258 E264 L268K246-C258 WeakPolarHBondContact O-CB 3.19Å; K246-C258 PolarHBondContact O-N 3.27Å; K246-E264 IonicContact NZ-OE1 3.43Å; K246-E264 PolarHBondContact NZ-OE1 2.94Å; K246-L268 HydrophobicContact CB-CD1 3.7Å; K246-L268 HydrophobicContact CD-CD1 3.89Å; K246-L268 HydrophobicContact CG-CD1 4.44Å
247V97.5Very high94.8Very high1 Ų135.2 Ų35.21%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-128.1132.4177.5175.40000108.8V217 V220 S221 F249 V256 A257 L268 V272V217-V247 HydrophobicContact CG1-CB 4.1Å; V217-V247 HydrophobicContact CG1-CG1 4.41Å; V217-V247 HydrophobicContact CG1-CG2 3.89Å; V220-V247 VanDerWaalsContact CA-O 3.3Å; V220-V247 WeakPolarHBondContact CA-O 3.33Å; V220-V247 HydrophobicContact CG1-CB 4.1Å; V220-V247 HydrophobicContact CG1-CG1 4.1Å; S221-V247 PolarHBondContact N-O 3.33Å; V247-F249 HydrophobicContact CG1-CD2 4.22Å; V247-F249 HydrophobicContact CG1-CE2 3.9Å; V247-V256 VanDerWaalsContact CA-O 3.28Å; V247-V256 WeakPolarHBondContact CA-O 3.09Å; V247-A257 HydrophobicContact CG2-CB 4.29Å; V247-L268 HydrophobicContact CG2-CB 4.22Å; V247-V272 HydrophobicContact CB-CG2 4.45Å; V247-V272 HydrophobicContact CG1-CG2 3.74Å; V247-V272 HydrophobicContact CG2-CG2 3.96Å
248M97.3Very high95Very high0 Ų034 Ų340%019%0.193CC..EExtended strand (participates in β ladder)trans-127.1129.3174.8-178.4169.977.300109.8L175 S221 H223 I238 D241 I242 L250 F255 V256L175-M248 HydrophobicContact CD1-CE 4.47Å; S221-M248 CarbonylContact O-C 3.58Å; S221-M248 WeakPolarHBondContact O-CA 3.3Å; S221-M248 WeakPolarHBondContact OG-CB 2.94Å; S221-M248 WeakPolarHBondContact OG-CG 3.45Å; H223-M248 HydrophobicContact CB-CE 4.05Å; H223-M248 HydrophobicContact CB-CG 4.24Å; H223-M248 HydrophobicContact CB-SD 3.83Å; I238-M248 HydrophobicContact CG2-CE 4.2Å; D241-M248 HydrophobicContact CB-SD 4.05Å; I242-M248 HydrophobicContact CB-SD 3.97Å; I242-M248 HydrophobicContact CD1-CB 3.52Å; I242-M248 HydrophobicContact CD1-CG 4.41Å; I242-M248 HydrophobicContact CD1-SD 4.08Å; M248-L250 HydrophobicContact CE-CD2 3.57Å; M248-L250 HydrophobicContact CG-CD2 4.44Å; M248-F255 CarbonylContact O-C 3.58Å; M248-F255 WeakPolarHBondContact O-CA 3.31Å; M248-V256 PolarHBondContact N-O 3.41Å; M248-V256 PolarHBondContact O-N 3.34Å
249F97.4Very high95.1Very high0 Ų034 Ų340%019%0.193CC..EExtended strand (participates in β ladder)trans-87.6123.8172.5-79.3-104.9000109.1V197 V200 A201 F207 V220 S221 Y222 H223 V247 R251 V272V197-F249 HydrophobicContact CG1-CD1 4.16Å; V197-F249 HydrophobicContact CG1-CE1 3.69Å; V197-F249 HydrophobicContact CG1-CZ 4.47Å; V200-F249 HydrophobicContact CG1-CE1 4.08Å; A201-F249 HydrophobicContact CB-CD1 4.04Å; F207-F249 HydrophobicContact CB-CD2 4.37Å; F207-F249 HydrophobicContact CB-CE1 4.43Å; F207-F249 HydrophobicContact CB-CE2 3.8Å; F207-F249 HydrophobicContact CB-CZ 3.84Å; F207-F249 HydrophobicContact CD2-CE1 4.24Å; F207-F249 AromaticContact CD2-CE2 3.9Å; F207-F249 HydrophobicContact CD2-CE2 3.9Å; F207-F249 AromaticContact CD2-CZ 3.38Å; F207-F249 HydrophobicContact CD2-CZ 3.38Å; F207-F249 HydrophobicContact CE2-CZ 4.03Å; F207-F249 AromaticContact CG-CE2 3.85Å; F207-F249 HydrophobicContact CG-CE2 3.85Å; F207-F249 AromaticContact CG-CZ 3.78Å; F207-F249 HydrophobicContact CG-CZ 3.78Å; V220-F249 HydrophobicContact CB-CD2 4.11Å; V220-F249 HydrophobicContact CB-CE2 4.22Å; V220-F249 HydrophobicContact CG1-CD2 4.45Å; V220-F249 HydrophobicContact CG1-CE2 4.07Å; V220-F249 HydrophobicContact CG2-CD2 4.12Å; V220-F249 HydrophobicContact CG2-CE2 4.29Å; S221-F249 PolarHBondContact O-N 3.36Å; Y222-F249 CarbonylContact C-O 3.55Å; Y222-F249 VanDerWaalsContact CA-O 3.31Å; Y222-F249 WeakPolarHBondContact CA-O 3.33Å; Y222-F249 HydrophobicContact CD1-CB 3.67Å; Y222-F249 HydrophobicContact CE1-CB 3.72Å; Y222-F249 HydrophobicContact CE1-CG 4.18Å; H223-F249 PolarHBondContact N-O 2.93Å; V247-F249 HydrophobicContact CG1-CD2 4.22Å; V247-F249 HydrophobicContact CG1-CE2 3.9Å; F249-R251 PolarHBondContact O-N 3.34Å; F249-V272 HydrophobicContact CZ-CG1 3.91Å
250L94.6Very high95.1Very high7 Ų735.2 Ų35.24%0.03720%0.2CC..EExtended strand (participates in β ladder)trans-87.4107.9169.9-53.1-176.3000106.4L175 H191 H223 M248 N252 H253 G254 V256L175-L250 HydrophobicContact CD2-CD1 4.02Å; H191-L250 VanDerWaalsContact CE1-CD1 3.46Å; H191-L250 WeakPolarHBondContact CE1-CD1 3.27Å; H223-L250 HydrophobicContact CB-CD2 3.83Å; H223-L250 CarbonylContact O-C 3.54Å; H223-L250 WeakPolarHBondContact O-CA 3.35Å; M248-L250 HydrophobicContact CE-CD2 3.57Å; M248-L250 HydrophobicContact CG-CD2 4.44Å; L250-N252 PolarHBondContact O-N 2.62Å; L250-H253 HydrophobicContact CB-CB 3.83Å; L250-H253 PolarHBondContact O-N 2.84Å; L250-G254 PolarHBondContact N-O 3.18Å; L250-G254 PolarHBondContact O-N 3.07Å; L250-V256 HydrophobicContact CD1-CG2 4.09Å; L250-V256 HydrophobicContact CD2-CG2 4.37Å; L250-V256 HydrophobicContact CG-CG2 4.22Å
251R94.9Very high95.1Very high62 Ų6232.7 Ų32.723%0.23418%0.181CC..THydrogen-bonded Turntrans-55.6138-175.2-68.9-152.6-177.7-95.3-1.2110.5A201 M203 Y222 H223 D224 Y225 F249 H253A201-R251 WeakPolarHBondContact O-CA 3.33Å; M203-R251 PolarHBondContact O-NH1 3.24Å; Y222-R251 HydrophobicContact CD1-CG 4.38Å; H223-R251 PolarHBondContact O-N 2.77Å; D224-R251 WeakPolarHBondContact OD1-CD 3.39Å; D224-R251 WeakPolarHBondContact OD1-CG 3.4Å; D224-R251 IonicContact OD1-NE 3.33Å; D224-R251 PolarHBondContact OD1-NE 2.59Å; D224-R251 VanDerWaalsContact OD1-NE 3.1Å; Y225-R251 WeakPolarHBondContact CB-O 3.32Å; F249-R251 PolarHBondContact O-N 3.34Å; R251-H253 PolarHBondContact O-N 3.37Å
252N92.1Very high95.1Very high115 Ų11530.4 Ų30.462%0.61517%0.169SC*.THydrogen-bonded Turntrans59.414.7-179.3-52.993000115.4A201 L250A201-N252 PolarHBondContact O-N 2.76Å; L250-N252 PolarHBondContact O-N 2.62Å
253H90.5Very high95.2Very high45 Ų4530.8 Ų30.821%0.20817%0.172CC..THydrogen-bonded Turntrans-133.7-60.7-172.5-174.8-168.8000112.2H116 H191 H193 Y225 L250 R251H116-H253 AromaticContact CD2-NE2 3.95Å; H191-H253 AromaticContact NE2-CE1 3.76Å; H191-H253 AromaticContact NE2-NE2 3.94Å; H193-H253 AromaticContact CD2-CD2 3.86Å; H193-H253 AromaticContact CD2-NE2 3.97Å; H193-H253 AromaticContact CE1-CD2 3.19Å; H193-H253 PolarHBondContact CE1-CD2 3.48Å; H193-H253 AromaticContact CE1-CE1 3.99Å; H193-H253 AromaticContact CE1-NE2 2.85Å; H193-H253 PolarHBondContact CE1-NE2 3.21Å; H193-H253 AromaticContact ND1-CD2 3.81Å; H193-H253 AromaticContact ND1-NE2 3.87Å; H193-H253 AromaticContact NE2-CD2 3.23Å; H193-H253 PolarHBondContact NE2-CD2 3.19Å; H193-H253 AromaticContact NE2-CE1 3.75Å; H193-H253 AromaticContact NE2-NE2 2.92Å; H193-H253 PolarHBondContact NE2-NE2 3.09Å; Y225-H253 HydrophobicContact CD2-CB 4.27Å; L250-H253 HydrophobicContact CB-CB 3.83Å; L250-H253 PolarHBondContact O-N 2.84Å; R251-H253 PolarHBondContact O-N 3.37Å
254G92.9Very high95.3Very high0 Ų029.5 Ų29.50%016%0.157CC..EExtended strand (participates in β ladder)trans169.5-143.2-175.900000112.1L250L250-G254 PolarHBondContact N-O 3.18Å; L250-G254 PolarHBondContact O-N 3.07Å
255F96Very high95.5Very high0 Ų022.1 Ų22.10%012%0.117CC..EExtended strand (participates in β ladder)trans-143163.2177.576.2-73.1000112.3H191 M192 V197 M248 A257 A269 V272 V273H191-F255 WeakPolarHBondContact CA-O 3.48Å; H191-F255 PolarHBondContact ND1-O 3.33Å; M192-F255 HydrophobicContact CB-CD1 4.38Å; M192-F255 HydrophobicContact CB-CE1 3.65Å; M192-F255 HydrophobicContact CB-CZ 4.08Å; M192-F255 PolarHBondContact N-O 2.9Å; M192-F255 VanDerWaalsContact N-O 3.16Å; M192-F255 WeakPolarHBondContact O-CD1 3.45Å; M192-F255 PolarHBondContact O-N 3.41Å; V197-F255 HydrophobicContact CB-CD1 3.94Å; V197-F255 HydrophobicContact CB-CE1 4.36Å; V197-F255 HydrophobicContact CG1-CB 3.76Å; V197-F255 HydrophobicContact CG1-CD1 3.39Å; V197-F255 HydrophobicContact CG1-CE1 4.24Å; V197-F255 HydrophobicContact CG1-CG 3.85Å; V197-F255 HydrophobicContact CG2-CD1 4Å; V197-F255 HydrophobicContact CG2-CE1 4.02Å; M248-F255 CarbonylContact O-C 3.58Å; M248-F255 WeakPolarHBondContact O-CA 3.31Å; F255-A257 HydrophobicContact CD2-CB 4.25Å; F255-A257 HydrophobicContact CE2-CB 3.95Å; F255-A269 HydrophobicContact CE2-CB 3.89Å; F255-A269 HydrophobicContact CZ-CB 4.03Å; F255-V272 HydrophobicContact CD1-CG1 4.38Å; F255-V272 HydrophobicContact CD2-CB 4.37Å; F255-V272 HydrophobicContact CD2-CG1 3.84Å; F255-V272 HydrophobicContact CE1-CG1 4.5Å; F255-V272 HydrophobicContact CE2-CB 4.2Å; F255-V272 HydrophobicContact CE2-CG1 4.02Å; F255-V272 HydrophobicContact CG-CG1 4.01Å; F255-V272 HydrophobicContact CZ-CG1 4.34Å; F255-V273 HydrophobicContact CE1-CG2 4.33Å; F255-V273 HydrophobicContact CZ-CG2 4.28Å
256V96.3Very high95.6Very high0 Ų021.3 Ų21.30%011%0.111CC..EExtended strand (participates in β ladder)trans-124.1129.5170-174.30000108.6L175 I179 I189 I190 H191 V247 M248 L250L175-V256 HydrophobicContact CD1-CG2 4.28Å; L175-V256 HydrophobicContact CD2-CG2 3.74Å; L175-V256 HydrophobicContact CG-CG2 4.32Å; I179-V256 HydrophobicContact CD1-CB 4.41Å; I179-V256 HydrophobicContact CD1-CG1 3.68Å; I179-V256 HydrophobicContact CD1-CG2 4.5Å; I189-V256 HydrophobicContact CG2-CG1 3.46Å; I189-V256 VanDerWaalsContact CG2-CG1 3.46Å; I190-V256 CarbonylContact O-C 3.54Å; I190-V256 WeakPolarHBondContact O-CA 3.47Å; H191-V256 HydrophobicContact CB-CG2 4.22Å; V247-V256 VanDerWaalsContact CA-O 3.28Å; V247-V256 WeakPolarHBondContact CA-O 3.09Å; M248-V256 PolarHBondContact N-O 3.41Å; M248-V256 PolarHBondContact O-N 3.34Å; L250-V256 HydrophobicContact CD1-CG2 4.09Å; L250-V256 HydrophobicContact CD2-CG2 4.37Å; L250-V256 HydrophobicContact CG-CG2 4.22Å
257A97.6Very high95.7Very high0 Ų019.5 Ų19.50%010%0.103CC..EExtended strand (participates in β ladder)trans-115.1127171.800000110.4I189 I190 V247 F255 L268 A269I189-A257 WeakPolarHBondContact CA-O 3.4Å; I190-A257 PolarHBondContact N-O 2.81Å; I190-A257 PolarHBondContact O-N 3.05Å; V247-A257 HydrophobicContact CG2-CB 4.29Å; F255-A257 HydrophobicContact CD2-CB 4.25Å; F255-A257 HydrophobicContact CE2-CB 3.95Å; A257-L268 HydrophobicContact CB-CB 4.34Å; A257-A269 HydrophobicContact CB-CB 4.09Å
258C97.4Very high95.6Very high1 Ų119.9 Ų19.91%0.00711%0.105CC..EExtended strand (participates in β ladder)trans-112.8129.6-176.3-63.40000109.9V186 C188 K246V186-C258 HydrophobicContact CG1-CB 3.81Å; V186-C258 HydrophobicContact CG2-CB 3.84Å; C188-C258 WeakPolarHBondContact O-CA 3.43Å; K246-C258 WeakPolarHBondContact O-CB 3.19Å; K246-C258 PolarHBondContact O-N 3.27Å
259G95.4Very high95.7Very high1 Ų119.9 Ų19.91%0.0111%0.105CC..EExtended strand (participates in β ladder)trans-129.8148.517600000112.4R187 C188 T261R187-G259 PolarHBondContact N-O 3.42Å; C188-G259 PolarHBondContact N-O 2.94Å; C188-G259 PolarHBondContact O-N 3.43Å; G259-T261 PolarHBondContact O-N 3.27Å
260S94Very high95.6Very high60 Ų6022.5 Ų22.542%0.4212%0.115SC..SBendtrans-70.1-15.8166.167.70000112R187 E264R187-S260 WeakPolarHBondContact CB-O 3.4Å; R187-S260 WeakPolarHBondContact CG-O 3.43Å; S260-E264 WeakPolarHBondContact CB-OE2 3.38Å; S260-E264 PolarHBondContact N-OE2 2.76Å; S260-E264 PolarHBondContact OG-OE2 2.99Å
261T94.8Very high95.7Very high47 Ų4722.6 Ų22.629%0.28812%0.115SC..SBendtrans-137.1160.9169.670.50000110.3G259 A263 E264 A265G259-T261 PolarHBondContact O-N 3.27Å; T261-A263 PolarHBondContact O-N 3.09Å; T261-E264 PolarHBondContact O-N 3.02Å; T261-E264 WeakPolarHBondContact OG1-CB 3.39Å; T261-E264 PolarHBondContact OG1-N 2.78Å; T261-E264 VanDerWaalsContact OG1-N 3.07Å; T261-A265 PolarHBondContact O-N 2.85Å
262I96.9Very high95.9Very high9 Ų919.6 Ų19.65%0.04610%0.104CC..Hα-helixtrans-59-39.4172.4-68.2175.8000111L93 K96 L97 L100 C188 A265 F266 W328L93-I262 HydrophobicContact CD1-CD1 3.6Å; L93-I262 HydrophobicContact CD1-CG1 4.42Å; K96-I262 HydrophobicContact CB-CD1 3.59Å; L97-I262 HydrophobicContact CB-CD1 4.06Å; L97-I262 HydrophobicContact CD1-CD1 4.33Å; L100-I262 HydrophobicContact CB-CG2 4.04Å; L100-I262 HydrophobicContact CD2-CG2 3.76Å; L100-I262 HydrophobicContact CG-CG2 4.45Å; C188-I262 HydrophobicContact CB-CB 4.5Å; C188-I262 HydrophobicContact CB-CG1 3.89Å; I262-A265 PolarHBondContact O-N 3.25Å; I262-F266 WeakPolarHBondContact O-CB 3.3Å; I262-F266 PolarHBondContact O-N 3.02Å; I262-W328 HydrophobicContact CG2-CH2 3.56Å; I262-W328 HydrophobicContact CG2-CZ2 4.12Å; I262-W328 HydrophobicContact CG2-CZ3 3.8Å
263A96.5Very high96.1Very high8 Ų814.3 Ų14.37%0.0668%0.076CC..Hα-helixtrans-62.9-43.3179.100000111.9T261 Y267 E325 W328T261-A263 PolarHBondContact O-N 3.09Å; A263-Y267 VanDerWaalsContact O-CB 3.25Å; A263-Y267 WeakPolarHBondContact O-CB 3.45Å; A263-Y267 PolarHBondContact O-N 3.4Å; A263-E325 HydrophobicContact CB-CG 4.2Å; A263-W328 HydrophobicContact CB-CB 3.63Å; A263-W328 HydrophobicContact CB-CD2 4.11Å; A263-W328 HydrophobicContact CB-CE3 4.35Å; A263-W328 HydrophobicContact CB-CG 3.79Å
264E96.1Very high96.5Very high7 Ų714.6 Ų14.63%0.0338%0.079CC..Hα-helixtrans-66.3-45.4176.8179.7178.5-14900112.1K246 S260 T261 F266 Y267 L268 V323K246-E264 IonicContact NZ-OE1 3.43Å; K246-E264 PolarHBondContact NZ-OE1 2.94Å; S260-E264 WeakPolarHBondContact CB-OE2 3.38Å; S260-E264 PolarHBondContact N-OE2 2.76Å; S260-E264 PolarHBondContact OG-OE2 2.99Å; T261-E264 PolarHBondContact O-N 3.02Å; T261-E264 WeakPolarHBondContact OG1-CB 3.39Å; T261-E264 PolarHBondContact OG1-N 2.78Å; T261-E264 VanDerWaalsContact OG1-N 3.07Å; E264-F266 VanDerWaalsContact C-N 3.31Å; E264-F266 PolarHBondContact O-N 2.75Å; E264-Y267 PolarHBondContact O-N 3.49Å; E264-L268 HydrophobicContact CG-CD1 4.22Å; E264-L268 WeakPolarHBondContact O-CG 3.34Å; E264-L268 PolarHBondContact O-N 2.99Å; E264-V323 HydrophobicContact CG-CB 4.23Å; E264-V323 HydrophobicContact CG-CG1 4.12Å
265A97.5Very high96.7Very high0 Ų014.7 Ų14.70%08%0.079CC..Hα-helixtrans-59.3-45178.100000111C188 I190 T261 I262 L268 A269C188-A265 HydrophobicContact CB-CB 3.87Å; I190-A265 HydrophobicContact CD1-CB 3.9Å; I190-A265 HydrophobicContact CG1-CB 4.23Å; T261-A265 PolarHBondContact O-N 2.85Å; I262-A265 PolarHBondContact O-N 3.25Å; A265-L268 PolarHBondContact O-N 3.43Å; A265-A269 WeakPolarHBondContact O-CB 3.46Å; A265-A269 PolarHBondContact O-N 3.38Å
266F97.6Very high96.8Very high3 Ų314.7 Ų14.71%0.0138%0.079CC..Hα-helixtrans-64.1-44.2176.5176.2-107.5000112.2L100 L103 F107 W109 I190 I262 E264 L268 A269 Y270 W328 W331L100-F266 HydrophobicContact CD1-CB 3.8Å; L100-F266 HydrophobicContact CD1-CD2 3.45Å; L100-F266 VanDerWaalsContact CD1-CD2 3.45Å; L100-F266 HydrophobicContact CD1-CE2 4.42Å; L100-F266 HydrophobicContact CD1-CG 3.87Å; L103-F266 HydrophobicContact CB-CE2 4.2Å; L103-F266 HydrophobicContact CB-CZ 4.49Å; L103-F266 HydrophobicContact CD1-CD1 4.41Å; L103-F266 HydrophobicContact CD1-CE1 4.17Å; L103-F266 HydrophobicContact CD1-CE2 4.41Å; L103-F266 HydrophobicContact CD1-CZ 4.2Å; F107-F266 AromaticContact CD2-CE2 3.94Å; F107-F266 HydrophobicContact CD2-CE2 3.94Å; F107-F266 AromaticContact CD2-CZ 3.97Å; F107-F266 HydrophobicContact CD2-CZ 3.97Å; F107-F266 HydrophobicContact CE2-CE1 4.43Å; F107-F266 AromaticContact CE2-CE2 3.71Å; F107-F266 HydrophobicContact CE2-CE2 3.71Å; F107-F266 AromaticContact CE2-CZ 3.29Å; F107-F266 HydrophobicContact CE2-CZ 3.29Å; F107-F266 AromaticContact CZ-CZ 3.97Å; F107-F266 HydrophobicContact CZ-CZ 3.97Å; W109-F266 AromaticContact CH2-CE2 3.95Å; W109-F266 HydrophobicContact CH2-CE2 3.95Å; W109-F266 HydrophobicContact CZ3-CD2 4.35Å; W109-F266 AromaticContact CZ3-CE2 3.96Å; W109-F266 HydrophobicContact CZ3-CE2 3.96Å; I190-F266 HydrophobicContact CD1-CB 4.28Å; I262-F266 WeakPolarHBondContact O-CB 3.3Å; I262-F266 PolarHBondContact O-N 3.02Å; E264-F266 VanDerWaalsContact C-N 3.31Å; E264-F266 PolarHBondContact O-N 2.75Å; F266-L268 VanDerWaalsContact C-N 3.33Å; F266-L268 PolarHBondContact O-N 3.13Å; F266-A269 PolarHBondContact O-N 2.82Å; F266-Y270 HydrophobicContact CZ-CD2 4.23Å; F266-Y270 WeakPolarHBondContact O-CB 3.42Å; F266-Y270 PolarHBondContact O-N 2.94Å; F266-W328 HydrophobicContact CB-CE3 4.23Å; F266-W328 HydrophobicContact CB-CZ3 4.08Å; F266-W328 HydrophobicContact CD1-CE3 4.01Å; F266-W328 HydrophobicContact CD1-CZ3 4.25Å; F266-W328 HydrophobicContact CG-CE3 4.31Å; F266-W328 HydrophobicContact CG-CZ3 4.16Å; F266-W331 AromaticContact CE1-CD1 3.57Å; F266-W331 HydrophobicContact CE1-CG 4.28Å; F266-W331 AromaticContact CE1-NE1 3.77Å
267Y96.3Very high96.8Very high44 Ų4417.3 Ų17.317%0.1739%0.092CC..Hα-helixtrans-58.3-44.6176.9179.4-106.1000112.1I216 A263 E264 N271 V323 E327I216-Y267 HydrophobicContact CG2-CD1 4.42Å; I216-Y267 HydrophobicContact CG2-CE1 3.42Å; I216-Y267 VanDerWaalsContact CG2-CE1 3.42Å; I216-Y267 WeakPolarHBondContact CG2-OH 3.46Å; A263-Y267 VanDerWaalsContact O-CB 3.25Å; A263-Y267 WeakPolarHBondContact O-CB 3.45Å; A263-Y267 PolarHBondContact O-N 3.4Å; E264-Y267 PolarHBondContact O-N 3.49Å; Y267-N271 WeakPolarHBondContact CE2-ND2 3.37Å; Y267-N271 PolarHBondContact O-N 2.91Å; Y267-N271 VanDerWaalsContact O-N 3.09Å; Y267-N271 PolarHBondContact O-ND2 3.04Å; Y267-V323 HydrophobicContact CD1-CG1 3.74Å; Y267-V323 HydrophobicContact CE1-CG1 4.02Å; Y267-E327 WeakPolarHBondContact CD2-OE2 3.27Å; Y267-E327 VanDerWaalsContact CE2-OE2 3.32Å; Y267-E327 WeakPolarHBondContact CE2-OE2 3.35Å
268L96.7Very high96.8Very high9 Ų919.7 Ų19.75%0.04711%0.106CC..Hα-helixtrans-65.3-46.7175.3-69.4173000111.5K246 V247 A257 E264 A265 F266 Y270 N271 V272K246-L268 HydrophobicContact CB-CD1 3.7Å; K246-L268 HydrophobicContact CD-CD1 3.89Å; K246-L268 HydrophobicContact CG-CD1 4.44Å; V247-L268 HydrophobicContact CG2-CB 4.22Å; A257-L268 HydrophobicContact CB-CB 4.34Å; E264-L268 HydrophobicContact CG-CD1 4.22Å; E264-L268 WeakPolarHBondContact O-CG 3.34Å; E264-L268 PolarHBondContact O-N 2.99Å; A265-L268 PolarHBondContact O-N 3.43Å; F266-L268 VanDerWaalsContact C-N 3.33Å; F266-L268 PolarHBondContact O-N 3.13Å; L268-Y270 VanDerWaalsContact C-N 3.3Å; L268-Y270 PolarHBondContact O-N 3.22Å; L268-N271 PolarHBondContact O-N 3.3Å; L268-V272 VanDerWaalsContact O-CG2 3.27Å; L268-V272 WeakPolarHBondContact O-CG2 3.46Å; L268-V272 PolarHBondContact O-N 2.91Å
269A97.5Very high96.8Very high0 Ų019.7 Ų19.70%011%0.106CC..Hα-helixtrans-59-41.9178.100000112.3W109 I190 F255 A257 A265 F266 V272 V273W109-A269 HydrophobicContact CZ3-CB 4.15Å; I190-A269 HydrophobicContact CD1-CB 4.09Å; I190-A269 HydrophobicContact CG2-CB 4.23Å; F255-A269 HydrophobicContact CE2-CB 3.89Å; F255-A269 HydrophobicContact CZ-CB 4.03Å; A257-A269 HydrophobicContact CB-CB 4.09Å; A265-A269 WeakPolarHBondContact O-CB 3.46Å; A265-A269 PolarHBondContact O-N 3.38Å; F266-A269 PolarHBondContact O-N 2.82Å; A269-V272 PolarHBondContact O-N 2.91Å; A269-V273 WeakPolarHBondContact O-CG2 3.49Å; A269-V273 PolarHBondContact O-N 3.5Å
270Y97Very high96.9Very high54 Ų5421.4 Ų21.421%0.21212%0.115CC..Hα-helixtrans-60.6-49.3176-173.3-98.5000112.2F107 W109 F266 L268 V272 V273 L274F107-Y270 HydrophobicContact CD1-CE2 4.16Å; F107-Y270 HydrophobicContact CE1-CD2 4.33Å; F107-Y270 AromaticContact CE1-CE2 3.72Å; F107-Y270 HydrophobicContact CE1-CE2 3.72Å; F107-Y270 HydrophobicContact CZ-CD2 4.35Å; F107-Y270 HydrophobicContact CZ-CE2 4.06Å; W109-Y270 VanDerWaalsContact CH2-CA 3.47Å; W109-Y270 AromaticContact CH2-CD2 3.88Å; W109-Y270 HydrophobicContact CH2-CD2 3.88Å; W109-Y270 HydrophobicContact CH2-CG 4.38Å; W109-Y270 AromaticContact CZ2-CD2 3.84Å; W109-Y270 HydrophobicContact CZ2-CD2 3.84Å; F266-Y270 HydrophobicContact CZ-CD2 4.23Å; F266-Y270 WeakPolarHBondContact O-CB 3.42Å; F266-Y270 PolarHBondContact O-N 2.94Å; L268-Y270 VanDerWaalsContact C-N 3.3Å; L268-Y270 PolarHBondContact O-N 3.22Å; Y270-V272 PolarHBondContact O-N 3.1Å; Y270-V273 PolarHBondContact O-N 3.07Å; Y270-L274 HydrophobicContact CD1-CD1 3.85Å; Y270-L274 HydrophobicContact CD1-CG 4.48Å; Y270-L274 HydrophobicContact CE1-CD1 3.3Å; Y270-L274 HydrophobicContact CE1-CG 4.17Å; Y270-L274 PolarHBondContact O-N 3.23Å; Y270-L274 VanDerWaalsContact O-N 3.1Å
271N96.8Very high97Very high9 Ų925.5 Ų25.55%0.04812%0.121CC..Hα-helixtrans-66.1-35.3177.6-77.2-80.4000112.5E213 I216 V217 Y267 L268 L274 A275E213-N271 HydrophobicContact CB-CB 4.22Å; I216-N271 HydrophobicContact CG2-CB 4.34Å; V217-N271 HydrophobicContact CG2-CB 3.76Å; Y267-N271 WeakPolarHBondContact CE2-ND2 3.37Å; Y267-N271 PolarHBondContact O-N 2.91Å; Y267-N271 VanDerWaalsContact O-N 3.09Å; Y267-N271 PolarHBondContact O-ND2 3.04Å; L268-N271 PolarHBondContact O-N 3.3Å; N271-L274 PolarHBondContact O-N 3.32Å; N271-A275 WeakPolarHBondContact O-CB 3.17Å; N271-A275 PolarHBondContact O-N 3.04Å
272V98Very high97Very high0 Ų024.7 Ų24.70%012%0.119CC..Hα-helixtrans-60.3-48174167.70000111V197 V217 V247 F249 F255 L268 A269 Y270 A275 C276V197-V272 HydrophobicContact CG1-CG1 4.39Å; V197-V272 HydrophobicContact CG2-CG1 4.04Å; V217-V272 HydrophobicContact CB-CG2 4.48Å; V217-V272 HydrophobicContact CG1-CG2 3.93Å; V217-V272 HydrophobicContact CG2-CG2 3.65Å; V247-V272 HydrophobicContact CB-CG2 4.45Å; V247-V272 HydrophobicContact CG1-CG2 3.74Å; V247-V272 HydrophobicContact CG2-CG2 3.96Å; F249-V272 HydrophobicContact CZ-CG1 3.91Å; F255-V272 HydrophobicContact CD1-CG1 4.38Å; F255-V272 HydrophobicContact CD2-CB 4.37Å; F255-V272 HydrophobicContact CD2-CG1 3.84Å; F255-V272 HydrophobicContact CE1-CG1 4.5Å; F255-V272 HydrophobicContact CE2-CB 4.2Å; F255-V272 HydrophobicContact CE2-CG1 4.02Å; F255-V272 HydrophobicContact CG-CG1 4.01Å; F255-V272 HydrophobicContact CZ-CG1 4.34Å; L268-V272 VanDerWaalsContact O-CG2 3.27Å; L268-V272 WeakPolarHBondContact O-CG2 3.46Å; L268-V272 PolarHBondContact O-N 2.91Å; A269-V272 PolarHBondContact O-N 2.91Å; Y270-V272 PolarHBondContact O-N 3.1Å; V272-A275 PolarHBondContact O-N 3.39Å; V272-C276 WeakPolarHBondContact O-CB 3.31Å; V272-C276 PolarHBondContact O-N 3.05Å; V272-C276 PolarHBondContact O-SG 3Å
273V97.3Very high96.9Very high4 Ų425.5 Ų25.52%0.02412%0.124CC..Hα-helixtrans-62.6-48.1-179.8174.80000110.4W109 T194 V196 V197 F255 A269 Y270 A275 C276 E277W109-V273 HydrophobicContact CD2-CG2 4.28Å; W109-V273 HydrophobicContact CH2-CG2 4.49Å; W109-V273 HydrophobicContact CZ2-CB 4.09Å; W109-V273 HydrophobicContact CZ2-CG1 4.4Å; W109-V273 HydrophobicContact CZ2-CG2 3.99Å; T194-V273 HydrophobicContact CG2-CG2 4.21Å; V196-V273 HydrophobicContact CG2-CG1 4.08Å; V197-V273 HydrophobicContact CG2-CG2 4.04Å; F255-V273 HydrophobicContact CE1-CG2 4.33Å; F255-V273 HydrophobicContact CZ-CG2 4.28Å; A269-V273 WeakPolarHBondContact O-CG2 3.49Å; A269-V273 PolarHBondContact O-N 3.5Å; Y270-V273 PolarHBondContact O-N 3.07Å; V273-A275 PolarHBondContact O-N 3.45Å; V273-C276 PolarHBondContact O-N 3.11Å; V273-E277 WeakPolarHBondContact O-CG 3.36Å; V273-E277 PolarHBondContact O-N 2.82Å
274L97.3Very high96.8Very high50 Ų5034.9 Ų34.926%0.26216%0.158SC..Hα-helixtrans-61.9-42.3178.3-70.7-176.7000113.3E213 Y270 N271 E277 T278E213-L274 HydrophobicContact CB-CB 4.34Å; E213-L274 HydrophobicContact CG-CB 3.94Å; E213-L274 HydrophobicContact CG-CD1 4.18Å; Y270-L274 HydrophobicContact CD1-CD1 3.85Å; Y270-L274 HydrophobicContact CD1-CG 4.48Å; Y270-L274 HydrophobicContact CE1-CD1 3.3Å; Y270-L274 HydrophobicContact CE1-CG 4.17Å; Y270-L274 PolarHBondContact O-N 3.23Å; Y270-L274 VanDerWaalsContact O-N 3.1Å; N271-L274 PolarHBondContact O-N 3.32Å; L274-E277 PolarHBondContact O-N 2.83Å; L274-T278 PolarHBondContact O-N 3.24Å; L274-T278 PolarHBondContact O-OG1 2.68Å
275A97.5Very high96.7Very high2 Ų237.6 Ų37.62%0.01718%0.182CC..Hα-helixtrans-63.6-44.3176.800000111.3F207 E213 A214 N271 V272 V273 T278 Q279F207-A275 HydrophobicContact CE2-CB 3.45Å; F207-A275 VanDerWaalsContact CE2-CB 3.45Å; F207-A275 HydrophobicContact CZ-CB 3.46Å; F207-A275 VanDerWaalsContact CZ-CB 3.46Å; E213-A275 HydrophobicContact CB-CB 4.04Å; A214-A275 HydrophobicContact CB-CB 3.94Å; N271-A275 WeakPolarHBondContact O-CB 3.17Å; N271-A275 PolarHBondContact O-N 3.04Å; V272-A275 PolarHBondContact O-N 3.39Å; V273-A275 PolarHBondContact O-N 3.45Å; A275-T278 PolarHBondContact O-N 3.05Å; A275-Q279 WeakPolarHBondContact O-CB 3.46Å; A275-Q279 PolarHBondContact O-N 3.39Å
276C97.9Very high96.5Very high0 Ų039 Ų390%020%0.197CC..Hα-helixtrans-63.1-42.3175.8-750000111.9V197 V200 V272 V273 T278 Q279 I280V197-C276 HydrophobicContact CG2-CB 3.95Å; V200-C276 HydrophobicContact CB-CB 4.39Å; V200-C276 HydrophobicContact CG2-CB 3.81Å; V272-C276 WeakPolarHBondContact O-CB 3.31Å; V272-C276 PolarHBondContact O-N 3.05Å; V272-C276 PolarHBondContact O-SG 3Å; V273-C276 PolarHBondContact O-N 3.11Å; C276-T278 VanDerWaalsContact C-N 3.32Å; C276-T278 PolarHBondContact O-N 3.23Å; C276-Q279 PolarHBondContact O-N 3.43Å; C276-I280 WeakPolarHBondContact O-CG1 3.33Å; C276-I280 PolarHBondContact O-N 2.83Å
277E97.3Very high96.2Very high55 Ų5542.9 Ų42.926%0.25722%0.216SC..Hα-helixtrans-60.1-43.2174.4-71.7-167.2-177.400112.5V196 V273 L274 Q279 I280 R281V196-E277 HydrophobicContact CB-CG 4.18Å; V196-E277 HydrophobicContact CG1-CG 4.11Å; V196-E277 HydrophobicContact CG2-CG 3.94Å; V273-E277 WeakPolarHBondContact O-CG 3.36Å; V273-E277 PolarHBondContact O-N 2.82Å; L274-E277 PolarHBondContact O-N 2.83Å; E277-Q279 VanDerWaalsContact C-N 3.34Å; E277-I280 PolarHBondContact O-N 3.15Å; E277-R281 VanDerWaalsContact CB-NH1 3.35Å; E277-R281 WeakPolarHBondContact O-CG 3.37Å; E277-R281 PolarHBondContact O-N 2.89Å; E277-R281 VanDerWaalsContact O-N 3.16Å; E277-R281 IonicContact OE2-CZ 3.39Å; E277-R281 IonicContact OE2-NH1 3.06Å; E277-R281 PolarHBondContact OE2-NH1 2.95Å; E277-R281 IonicContact OE2-NH2 2.7Å; E277-R281 PolarHBondContact OE2-NH2 2.87Å
278T97.1Very high96.1Very high50 Ų5048.4 Ų48.431%0.30725%0.249SC..Hα-helixtrans-62.2-44.3176.7-60.40000110.6L274 A275 C276 R281 A282L274-T278 PolarHBondContact O-N 3.24Å; L274-T278 PolarHBondContact O-OG1 2.68Å; A275-T278 PolarHBondContact O-N 3.05Å; C276-T278 VanDerWaalsContact C-N 3.32Å; C276-T278 PolarHBondContact O-N 3.23Å; T278-R281 PolarHBondContact O-N 2.91Å; T278-A282 WeakPolarHBondContact O-CB 3.38Å; T278-A282 PolarHBondContact O-N 3.43Å
279Q97.4Very high96Very high1 Ų153.8 Ų53.81%0.00528%0.278CS..Hα-helixtrans-60.8-48.5176.3-174.3176.4-43.500112.6V200 G206 I210 A275 C276 E277 R281 A282 V283V200-Q279 HydrophobicContact CG2-CB 4.4Å; V200-Q279 HydrophobicContact CG2-CG 4.45Å; G206-Q279 PolarHBondContact O-NE2 2.84Å; I210-Q279 HydrophobicContact CD1-CB 3.89Å; I210-Q279 HydrophobicContact CD1-CG 4.12Å; A275-Q279 WeakPolarHBondContact O-CB 3.46Å; A275-Q279 PolarHBondContact O-N 3.39Å; C276-Q279 PolarHBondContact O-N 3.43Å; E277-Q279 VanDerWaalsContact C-N 3.34Å; Q279-R281 PolarHBondContact O-N 2.79Å; Q279-A282 PolarHBondContact O-N 3.28Å; Q279-A282 VanDerWaalsContact O-N 3.11Å; Q279-V283 HydrophobicContact CG-CG1 3.75Å; Q279-V283 WeakPolarHBondContact O-CB 3.46Å; Q279-V283 VanDerWaalsContact O-CG1 3.29Å; Q279-V283 WeakPolarHBondContact O-CG1 2.97Å; Q279-V283 WeakPolarHBondContact O-CG2 3.39Å; Q279-V283 PolarHBondContact O-N 2.95Å
280I96.6Very high95.8Very high38 Ų3855.3 Ų55.320%0.19529%0.286CS..Hα-helixtrans-59.7-31.6177.7-66.4-56.4000112.1A199 V200 M203 C276 E277A199-I280 HydrophobicContact CB-CD1 3.71Å; A199-I280 HydrophobicContact CB-CG1 4.33Å; V200-I280 HydrophobicContact CG2-CD1 3.74Å; V200-I280 HydrophobicContact CG2-CG1 3.93Å; M203-I280 HydrophobicContact CE-CD1 3.31Å; M203-I280 HydrophobicContact SD-CD1 4.35Å; C276-I280 WeakPolarHBondContact O-CG1 3.33Å; C276-I280 PolarHBondContact O-N 2.83Å; E277-I280 PolarHBondContact O-N 3.15Å
281R96.9Very high95.7Very high145 Ų14559 Ų5955%0.54731%0.314SS..Hα-helixtrans-75.8-42.3174.9-67.4174.5-168.9117.86.2111.8E277 T278 Q279E277-R281 VanDerWaalsContact CB-NH1 3.35Å; E277-R281 WeakPolarHBondContact O-CG 3.37Å; E277-R281 PolarHBondContact O-N 2.89Å; E277-R281 VanDerWaalsContact O-N 3.16Å; E277-R281 IonicContact OE2-CZ 3.39Å; E277-R281 IonicContact OE2-NH1 3.06Å; E277-R281 PolarHBondContact OE2-NH1 2.95Å; E277-R281 IonicContact OE2-NH2 2.7Å; E277-R281 PolarHBondContact OE2-NH2 2.87Å; T278-R281 PolarHBondContact O-N 2.91Å; Q279-R281 PolarHBondContact O-N 2.79Å
282A95.7Very high95.5Very high31 Ų3163.2 Ų63.226%0.25634%0.336SS..Hα-helixtrans-71.7-43.9-176.800000113I210 T278 Q279 R284 A285 L290I210-A282 HydrophobicContact CD1-CB 3.84Å; T278-A282 WeakPolarHBondContact O-CB 3.38Å; T278-A282 PolarHBondContact O-N 3.43Å; Q279-A282 PolarHBondContact O-N 3.28Å; Q279-A282 VanDerWaalsContact O-N 3.11Å; A282-R284 PolarHBondContact O-N 3.22Å; A282-A285 WeakPolarHBondContact O-CB 3.29Å; A282-A285 PolarHBondContact O-N 3.42Å; A282-L290 HydrophobicContact CB-CD2 3.78Å
283V94.6Very high95.3Very high25 Ų2564.9 Ų64.915%0.15235%0.347CS..G310 helixtrans-60.7-14.3-178.4-660000114M203 Q279 A285 G286 I287 L290M203-V283 HydrophobicContact CE-CG2 4.07Å; Q279-V283 HydrophobicContact CG-CG1 3.75Å; Q279-V283 WeakPolarHBondContact O-CB 3.46Å; Q279-V283 VanDerWaalsContact O-CG1 3.29Å; Q279-V283 WeakPolarHBondContact O-CG1 2.97Å; Q279-V283 WeakPolarHBondContact O-CG2 3.39Å; Q279-V283 PolarHBondContact O-N 2.95Å; V283-A285 PolarHBondContact O-N 2.71Å; V283-G286 WeakPolarHBondContact O-CA 3.3Å; V283-G286 PolarHBondContact O-N 2.94Å; V283-I287 HydrophobicContact CB-CG1 4.46Å; V283-I287 HydrophobicContact CG1-CG1 4.19Å; V283-L290 HydrophobicContact CG1-CD1 3.81Å
284R94.5Very high95Very high206 Ų20667.5 Ų67.578%0.77737%0.366SS*.G310 helixtrans-62-24.1171.3-64.5178.6-180-172.8-3.6112.9A282 G286A282-R284 PolarHBondContact O-N 3.22Å; R284-G286 PolarHBondContact O-N 3.12Å
285A93.7Very high94.6Very high64 Ų6471.5 Ų71.553%0.52938%0.383SS..G310 helixtrans-75.7-7.5171.600000112.7A282 V283 N289A282-A285 WeakPolarHBondContact O-CB 3.29Å; A282-A285 PolarHBondContact O-N 3.42Å; V283-A285 PolarHBondContact O-N 2.71Å; A285-N289 PolarHBondContact O-ND2 3.32Å
286G93Very high94.2Very high30 Ų3078.2 Ų78.231%0.30941%0.414SS..  trans95.4136.4-169.300000111.3V283 R284 D288 N289V283-G286 WeakPolarHBondContact O-CA 3.3Å; V283-G286 PolarHBondContact O-N 2.94Å; R284-G286 PolarHBondContact O-N 3.12Å; G286-D288 PolarHBondContact O-N 3.39Å; G286-N289 PolarHBondContact O-N 2.95Å; G286-N289 VanDerWaalsContact O-N 3.11Å
287I91.7Very high93.8Very high83 Ų8379.4 Ų79.443%0.42642%0.424SS..G310 helixtrans-60.3-37.4-177.6-65.5166.9000110.9C205 V283 N289 L290C205-I287 HydrophobicContact CB-CD1 4.22Å; C205-I287 HydrophobicContact CB-CG2 4.48Å; V283-I287 HydrophobicContact CB-CG1 4.46Å; V283-I287 HydrophobicContact CG1-CG1 4.19Å; I287-N289 PolarHBondContact O-N 2.84Å; I287-L290 WeakPolarHBondContact O-CB 3.33Å; I287-L290 WeakPolarHBondContact O-CG 3.46Å; I287-L290 PolarHBondContact O-N 3.48Å; I287-L290 VanDerWaalsContact O-N 3.12Å
288D93.4Very high93.3Very high160 Ų16079.8 Ų79.886%0.85643%0.425SS*.G310 helixtrans-68.1-16.7-179.5-56-32.4000113.4G286 L290G286-D288 PolarHBondContact O-N 3.39Å; D288-L290 VanDerWaalsContact C-N 3.35Å
289N94.7Very high92.8Very high123 Ų12380.3 Ų80.366%0.65843%0.43SS*.G310 helixtrans-90.92.5176.9-69.8-41000112.8A285 G286 I287A285-N289 PolarHBondContact O-ND2 3.32Å; G286-N289 PolarHBondContact O-N 2.95Å; G286-N289 VanDerWaalsContact O-N 3.11Å; I287-N289 PolarHBondContact O-N 2.84Å
290L94.2Very high92.2Very high32 Ų3287.5 Ų87.517%0.16846%0.457CS..PPolyproline II helixtrans-88.7134.6-179.6-59.1-177.6000111.7L208 I210 A282 V283 I287 D288L208-L290 HydrophobicContact CD1-CD1 3.89Å; I210-L290 HydrophobicContact CG2-CB 4.43Å; I210-L290 HydrophobicContact CG2-CD1 4.47Å; A282-L290 HydrophobicContact CB-CD2 3.78Å; V283-L290 HydrophobicContact CG1-CD1 3.81Å; I287-L290 WeakPolarHBondContact O-CB 3.33Å; I287-L290 WeakPolarHBondContact O-CG 3.46Å; I287-L290 PolarHBondContact O-N 3.48Å; I287-L290 VanDerWaalsContact O-N 3.12Å; D288-L290 VanDerWaalsContact C-N 3.35Å
291V94.1Very high91.7Very high131 Ų13186.8 Ų86.879%0.79446%0.457SS*.PPolyproline II helixtrans-84.2117170.3-178.80000108.7
292L93.2Very high90.8Very high98 Ų9881.9 Ų81.951%0.51345%0.448SS..PPolyproline II helixtrans-89.7137176.3-56-177.3000110.3L208 I210L208-L292 HydrophobicContact CB-CD2 4.36Å; L208-L292 HydrophobicContact CD2-CD2 4.27Å; I210-L292 HydrophobicContact CG2-CD2 3.7Å
293S92.7Very high90Very high35 Ų3585 Ų8525%0.24546%0.457CS..PPolyproline II helixtrans-65.7139.5175.7-57.50000111.4P209P209-S293 VanDerWaalsContact O-CB 3.29Å; P209-S293 WeakPolarHBondContact O-CB 3.38Å; P209-S293 PolarHBondContact O-N 3.27Å; P209-S293 VanDerWaalsContact O-N 3.14Å; P209-S293 PolarHBondContact O-OG 3.36Å
294S91.4Very high89.3Confident59 Ų5987.5 Ų87.541%0.41347%0.472SS..PPolyproline II helixtrans-65.2157.2175.968.10000112E296 A297 K298S294-E296 PolarHBondContact O-N 3.08Å; S294-A297 WeakPolarHBondContact O-CB 3.49Å; S294-A297 PolarHBondContact O-N 2.83Å; S294-A297 PolarHBondContact OG-N 2.88Å; S294-K298 PolarHBondContact O-N 2.97Å; S294-K298 VanDerWaalsContact O-N 3.08Å
295E88.9Confident88.3Confident133 Ų13379 Ų7962%0.62145%0.446SS*.Hα-helixtrans-58.1-34.2174.8-66.4-53.6130.800112.3A297 K298 S299E295-A297 VanDerWaalsContact C-N 3.34Å; E295-A297 PolarHBondContact O-N 2.99Å; E295-K298 WeakPolarHBondContact O-CB 3.38Å; E295-K298 PolarHBondContact O-N 2.74Å; E295-K298 WeakPolarHBondContact OE1-CE 3.33Å; E295-K298 IonicContact OE1-NZ 3.66Å; E295-K298 PolarHBondContact OE1-NZ 3.01Å; E295-K298 IonicContact OE2-NZ 3.78Å; E295-S299 PolarHBondContact O-N 2.97Å
296E89.7Confident87.1Confident143 Ų14383.6 Ų83.667%0.66845%0.454SS*.Hα-helixtrans-63.8-38174.4-62.7163.1178.500112.4S294 R300S294-E296 PolarHBondContact O-N 3.08Å; E296-R300 WeakPolarHBondContact O-CB 3.4Å; E296-R300 WeakPolarHBondContact O-CG 3.33Å; E296-R300 PolarHBondContact O-N 2.78Å; E296-R300 VanDerWaalsContact O-N 3.09Å; E296-R300 PolarHBondContact O-NE 3.33Å
297A88.8Confident85.7Confident25 Ų2588.7 Ų88.721%0.20747%0.47CS..Hα-helixtrans-68-39.2175.200000110.9S294 E295 A301S294-A297 WeakPolarHBondContact O-CB 3.49Å; S294-A297 PolarHBondContact O-N 2.83Å; S294-A297 PolarHBondContact OG-N 2.88Å; E295-A297 VanDerWaalsContact C-N 3.34Å; E295-A297 PolarHBondContact O-N 2.99Å; A297-A301 WeakPolarHBondContact O-CB 3.48Å; A297-A301 PolarHBondContact O-N 3.1Å
298K87.7Confident84Confident63 Ų6388.4 Ų88.427%0.27448%0.475SS..Hα-helixtrans-62.6-46.1174.5-63.9174.8-171.5174.80112.1P209 L215 S294 E295 A301 A302P209-K298 HydrophobicContact CB-CD 4.47Å; P209-K298 VanDerWaalsContact CB-CE 3.45Å; P209-K298 VanDerWaalsContact CG-CE 3.41Å; L215-K298 HydrophobicContact CD2-CB 4.44Å; L215-K298 HydrophobicContact CD2-CG 3.65Å; S294-K298 PolarHBondContact O-N 2.97Å; S294-K298 VanDerWaalsContact O-N 3.08Å; E295-K298 WeakPolarHBondContact O-CB 3.38Å; E295-K298 PolarHBondContact O-N 2.74Å; E295-K298 WeakPolarHBondContact OE1-CE 3.33Å; E295-K298 IonicContact OE1-NZ 3.66Å; E295-K298 PolarHBondContact OE1-NZ 3.01Å; E295-K298 IonicContact OE2-NZ 3.78Å; K298-A301 PolarHBondContact O-N 3.47Å; K298-A302 WeakPolarHBondContact O-CB 3.36Å; K298-A302 PolarHBondContact O-N 3.38Å
299S85.4Confident82.2Confident61 Ų6182 Ų8243%0.42744%0.443SS..Hα-helixtrans-61.1-48.3177.9-165.20000111.5E295 A301 A302 E303E295-S299 PolarHBondContact O-N 2.97Å; S299-A301 VanDerWaalsContact C-N 3.33Å; S299-A301 PolarHBondContact O-N 3.07Å; S299-A302 WeakPolarHBondContact O-CB 3.28Å; S299-A302 PolarHBondContact O-N 3.15Å; S299-A302 VanDerWaalsContact O-N 3.16Å; S299-E303 WeakPolarHBondContact O-CG 3.34Å; S299-E303 PolarHBondContact O-N 2.86Å; S299-E303 PolarHBondContact OG-OE1 2.87Å
300R86.5Confident80.1Confident152 Ų15278.7 Ų78.757%0.57443%0.43SS*.Hα-helixtrans-62.2-39178.4-75.3-174.4-71.6163.5-7.1112.7E296 E303 T304E296-R300 WeakPolarHBondContact O-CB 3.4Å; E296-R300 WeakPolarHBondContact O-CG 3.33Å; E296-R300 PolarHBondContact O-N 2.78Å; E296-R300 VanDerWaalsContact O-N 3.09Å; E296-R300 PolarHBondContact O-NE 3.33Å; R300-E303 PolarHBondContact O-N 3.48Å; R300-T304 WeakPolarHBondContact O-CB 3.18Å; R300-T304 PolarHBondContact O-N 2.85Å; R300-T304 PolarHBondContact O-OG1 2.86Å
301A84.7Confident78.2Confident23 Ų2380.3 Ų80.319%0.1946%0.455CS..Hα-helixtrans-64.1-42.6174.800000111.6L215 A297 K298 S299 E303 T304 A305L215-A301 HydrophobicContact CB-CB 3.71Å; L215-A301 HydrophobicContact CD1-CB 4.45Å; A297-A301 WeakPolarHBondContact O-CB 3.48Å; A297-A301 PolarHBondContact O-N 3.1Å; K298-A301 PolarHBondContact O-N 3.47Å; S299-A301 VanDerWaalsContact C-N 3.33Å; S299-A301 PolarHBondContact O-N 3.07Å; A301-E303 PolarHBondContact O-N 3.45Å; A301-T304 PolarHBondContact O-N 3.34Å; A301-A305 WeakPolarHBondContact O-CB 3.27Å; A301-A305 PolarHBondContact O-N 2.81Å
302A79.1Confident76.3Confident42 Ų4275 Ų7535%0.34742%0.424SS..Hα-helixtrans-65-3617700000113K298 S299 K306K298-A302 WeakPolarHBondContact O-CB 3.36Å; K298-A302 PolarHBondContact O-N 3.38Å; S299-A302 WeakPolarHBondContact O-CB 3.28Å; S299-A302 PolarHBondContact O-N 3.15Å; S299-A302 VanDerWaalsContact O-N 3.16Å; A302-K306 WeakPolarHBondContact O-CG 3.32Å; A302-K306 PolarHBondContact O-N 3.42Å
303E79Confident74.4Confident98 Ų9877.8 Ų77.846%0.45843%0.434SS..Hα-helixtrans-67.3-49.6172.7-73.3161.9-153.700111.1S299 R300 A301 A305 K306 E307S299-E303 WeakPolarHBondContact O-CG 3.34Å; S299-E303 PolarHBondContact O-N 2.86Å; S299-E303 PolarHBondContact OG-OE1 2.87Å; R300-E303 PolarHBondContact O-N 3.48Å; A301-E303 PolarHBondContact O-N 3.45Å; E303-A305 VanDerWaalsContact C-N 3.28Å; E303-A305 PolarHBondContact O-N 3.16Å; E303-K306 WeakPolarHBondContact O-CB 3.44Å; E303-K306 PolarHBondContact O-N 2.84Å; E303-E307 PolarHBondContact O-N 2.61Å
304T79.9Confident72.5Confident76 Ų7678.7 Ų78.747%0.46644%0.437SS..Hα-helixtrans-60-39179.5-55.40000111.5R300 A301 K306 E307 S308R300-T304 WeakPolarHBondContact O-CB 3.18Å; R300-T304 PolarHBondContact O-N 2.85Å; R300-T304 PolarHBondContact O-OG1 2.86Å; A301-T304 PolarHBondContact O-N 3.34Å; T304-K306 VanDerWaalsContact C-N 3.26Å; T304-K306 PolarHBondContact O-N 3.11Å; T304-E307 PolarHBondContact O-N 3.5Å; T304-E307 VanDerWaalsContact O-N 3.15Å; T304-S308 WeakPolarHBondContact CG2-OG 3.43Å; T304-S308 VanDerWaalsContact O-CB 3.26Å; T304-S308 WeakPolarHBondContact O-CB 3.27Å; T304-S308 PolarHBondContact O-N 2.79Å; T304-S308 PolarHBondContact O-OG 3.06Å
305A71.9Confident70.8Confident28 Ų2879.7 Ų79.723%0.23146%0.457CS..Hα-helixtrans-63.4-30.117700000113A301 E303A301-A305 WeakPolarHBondContact O-CB 3.27Å; A301-A305 PolarHBondContact O-N 2.81Å; E303-A305 VanDerWaalsContact C-N 3.28Å; E303-A305 PolarHBondContact O-N 3.16Å
306K68.6Low69.4Low160 Ų16079.6 Ų79.670%0.69647%0.465SS*.Hα-helixtrans-75.2-31.6174.4-67.3170.1-175.6174.30112.1A302 E303 T304A302-K306 WeakPolarHBondContact O-CG 3.32Å; A302-K306 PolarHBondContact O-N 3.42Å; E303-K306 WeakPolarHBondContact O-CB 3.44Å; E303-K306 PolarHBondContact O-N 2.84Å; T304-K306 VanDerWaalsContact C-N 3.26Å; T304-K306 PolarHBondContact O-N 3.11Å
307E64.3Low68.3Low137 Ų13780.4 Ų80.464%0.6447%0.466SS*.Hα-helixtrans-91-29.6-175.6-66.2-177173.500114.3E303 T304 S309 S310E303-E307 PolarHBondContact O-N 2.61Å; T304-E307 PolarHBondContact O-N 3.5Å; T304-E307 VanDerWaalsContact O-N 3.15Å; E307-S309 PolarHBondContact O-N 3.36Å; E307-S310 PolarHBondContact O-N 3.1Å; E307-S310 PolarHBondContact O-OG 3.23Å
308S56.3Low67.5Low77 Ų7785.8 Ų85.854%0.53849%0.485SS..G310 helixtrans-63.5-10.4-173.3-65.70000114.3T304 S310T304-S308 WeakPolarHBondContact CG2-OG 3.43Å; T304-S308 VanDerWaalsContact O-CB 3.26Å; T304-S308 WeakPolarHBondContact O-CB 3.27Å; T304-S308 PolarHBondContact O-N 2.79Å; T304-S308 PolarHBondContact O-OG 3.06Å; S308-S310 PolarHBondContact O-N 2.92Å
309S54.5Low67.1Low26 Ų2684 Ų8418%0.18248%0.478CS..G310 helixtrans-531.6165-85.50000117.1E307 W321E307-S309 PolarHBondContact O-N 3.36Å; S309-W321 WeakPolarHBondContact CB-O 3.13Å; S309-W321 WeakPolarHBondContact O-CB 3.28Å; S309-W321 PolarHBondContact O-N 2.89Å; S309-W321 PolarHBondContact OG-O 2.85Å
310S51.7Low67Low53 Ų5389 Ų8937%0.37149%0.494SS..G310 helixtrans-119.77.8-166.757.70000115.5E307 S308 K318E307-S310 PolarHBondContact O-N 3.1Å; E307-S310 PolarHBondContact O-OG 3.23Å; S308-S310 PolarHBondContact O-N 2.92Å; S310-K318 WeakPolarHBondContact O-CE 3.35Å
311G53Low67.1Low67 Ų6782.4 Ų82.469%0.69147%0.47SS*.  trans-83.1-26.5-171.200000117.4Q313G311-Q313 PolarHBondContact O-N 3.34Å
312A55.7Low67.3Low19 Ų1982.7 Ų82.716%0.15748%0.475CS..  trans-88.599.7-178.600000110.6L326A312-L326 HydrophobicContact CB-CD1 4.04Å; A312-L326 HydrophobicContact CB-CD2 4.21Å
313Q52.5Low67.9Low156 Ų15682.8 Ų82.873%0.72947%0.471SS*.EExtended strand (participates in β ladder)trans-81.3121.3169.4-62.7-175.36.500108.8G311G311-Q313 PolarHBondContact O-N 3.34Å
314D52.8Low68.5Low54 Ų5478.7 Ų78.729%0.28946%0.455SS..EExtended strand (participates in β ladder)trans-82.7131.7153.8-174.115.2000106.3V316 K317 I319 W350D314-V316 PolarHBondContact O-N 3.07Å; D314-K317 CarbonylContact O-C 3.6Å; D314-K317 PolarHBondContact O-N 2.89Å; D314-I319 HydrophobicContact CB-CD1 4.23Å; D314-W350 HydrophobicContact CB-CH2 3.47Å; D314-W350 VanDerWaalsContact CB-CH2 3.47Å; D314-W350 HydrophobicContact CB-CZ2 3.84Å; D314-W350 HydrophobicContact CB-CZ3 4.43Å; D314-W350 VanDerWaalsContact CG-CZ2 3.47Å; D314-W350 VanDerWaalsContact OD1-CH2 3.29Å; D314-W350 WeakPolarHBondContact OD1-CH2 3.33Å; D314-W350 WeakPolarHBondContact OD1-CZ2 3.14Å; D314-W350 WeakPolarHBondContact OD2-CH2 3.43Å; D314-W350 WeakPolarHBondContact OD2-CZ3 3.43Å
315G56.1Low69.1Low81 Ų8176.8 Ų76.884%0.83544%0.441SS*.THydrogen-bonded Turntrans-585.7-165.900000116.8
316V60Low70.1Confident130 Ų13078.7 Ų78.779%0.78845%0.447SS*.THydrogen-bonded Turntrans-128.8-27.1178.2-170.70000112.8D314D314-V316 PolarHBondContact O-N 3.07Å
317K66.1Low71.2Confident160 Ų16073.8 Ų73.870%0.69643%0.427SS*.EExtended strand (participates in β ladder)trans-148.5131.5-179.2-70-174.9-175.2179.10112.3D314 I319D314-K317 CarbonylContact O-C 3.6Å; D314-K317 PolarHBondContact O-N 2.89Å; K317-I319 PolarHBondContact O-N 3.25Å; K317-I319 VanDerWaalsContact O-N 3.17Å
318K70.6Confident72.7Confident138 Ų13867.5 Ų67.560%0.640%0.397SS*.EExtended strand (participates in β ladder)trans-69.7109.2172.4-169.3174.3-178.1178.60109.5S310S310-K318 WeakPolarHBondContact O-CE 3.35Å
319I80.2Confident74.5Confident27 Ų2764 Ų6414%0.13837%0.372CS..  trans-77.3124.1174.8-59.2173.5000108D314 K317 W321 R347 Q348 W350D314-I319 HydrophobicContact CB-CD1 4.23Å; K317-I319 PolarHBondContact O-N 3.25Å; K317-I319 VanDerWaalsContact O-N 3.17Å; I319-W321 HydrophobicContact CB-CZ2 4.44Å; I319-W321 HydrophobicContact CD1-CZ2 4.29Å; I319-W321 HydrophobicContact CG2-CD2 4.1Å; I319-W321 HydrophobicContact CG2-CG 4.41Å; I319-W321 HydrophobicContact CG2-CZ2 3.93Å; I319-W321 VanDerWaalsContact O-CD1 3.31Å; I319-R347 HydrophobicContact CD1-CB 4.45Å; I319-Q348 HydrophobicContact CD1-CG 3.75Å; I319-W350 HydrophobicContact CD1-CH2 4.48Å
320Q83.7Confident76.4Confident164 Ų16464.2 Ų64.277%0.76638%0.375SS*.  trans-85115.7169.9-68.7-177.5-16.600109.2R347Q320-R347 PolarHBondContact O-NH1 3.42Å
321W88.6Confident78.6Confident14 Ų1464 Ų645%0.05337%0.367CS..PPolyproline II helixtrans-92.3146.3178-61.588.9000111S309 I319 E325 L326 E329 R347 Q348S309-W321 WeakPolarHBondContact CB-O 3.13Å; S309-W321 WeakPolarHBondContact O-CB 3.28Å; S309-W321 PolarHBondContact O-N 2.89Å; S309-W321 PolarHBondContact OG-O 2.85Å; I319-W321 HydrophobicContact CB-CZ2 4.44Å; I319-W321 HydrophobicContact CD1-CZ2 4.29Å; I319-W321 HydrophobicContact CG2-CD2 4.1Å; I319-W321 HydrophobicContact CG2-CG 4.41Å; I319-W321 HydrophobicContact CG2-CZ2 3.93Å; I319-W321 VanDerWaalsContact O-CD1 3.31Å; W321-E325 HydrophobicContact CE3-CB 3.84Å; W321-L326 HydrophobicContact CB-CB 4.48Å; W321-L326 HydrophobicContact CD2-CB 3.82Å; W321-L326 HydrophobicContact CD2-CD1 4.07Å; W321-L326 HydrophobicContact CD2-CG 4.49Å; W321-L326 VanDerWaalsContact CE3-CA 3.5Å; W321-L326 HydrophobicContact CE3-CB 3.89Å; W321-L326 HydrophobicContact CE3-CD1 4.35Å; W321-L326 HydrophobicContact CG-CB 4.08Å; W321-L326 HydrophobicContact CH2-CD1 3.87Å; W321-L326 HydrophobicContact CZ2-CD1 3.59Å; W321-L326 HydrophobicContact CZ3-CB 4.39Å; W321-L326 HydrophobicContact CZ3-CD1 4.25Å; W321-E329 HydrophobicContact CH2-CB 4.36Å; W321-E329 WeakPolarHBondContact CH2-OE2 3.47Å; W321-E329 HydrophobicContact CZ3-CB 4.13Å; W321-R347 HydrophobicContact CH2-CB 3.85Å; W321-R347 HydrophobicContact CH2-CG 4.45Å; W321-R347 HydrophobicContact CZ2-CB 4.44Å; W321-R347 HydrophobicContact CZ3-CB 4.28Å; W321-R347 HydrophobicContact CZ3-CG 4.39Å; W321-Q348 HydrophobicContact CH2-CG 4.15Å; W321-Q348 HydrophobicContact CZ2-CG 3.87Å
322G89.2Confident80.7Confident30 Ų3060.9 Ų60.931%0.30933%0.334SS..PPolyproline II helixtrans-78168.716300000111.7G324 E325G322-G324 PolarHBondContact O-N 2.96Å; G322-E325 PolarHBondContact N-OE2 3.19Å; G322-E325 WeakPolarHBondContact O-CB 3.42Å; G322-E325 PolarHBondContact O-N 3.05Å
323V90.4Very high82.5Confident43 Ų4362.9 Ų62.926%0.26134%0.337SS..THydrogen-bonded Turntrans-55.3124.1173.5-179.70000109.5E264 Y267 E325E264-V323 HydrophobicContact CG-CB 4.23Å; E264-V323 HydrophobicContact CG-CG1 4.12Å; Y267-V323 HydrophobicContact CD1-CG1 3.74Å; Y267-V323 HydrophobicContact CE1-CG1 4.02Å; V323-E325 PolarHBondContact O-N 3.16Å
324G92Very high84.4Confident12 Ų1258.6 Ų58.612%0.12432%0.322CS..THydrogen-bonded Turntrans73.8-6-17900000116.1G322 L326 E327 W328G322-G324 PolarHBondContact O-N 2.96Å; G324-L326 PolarHBondContact O-N 3.05Å; G324-E327 PolarHBondContact O-N 3.43Å; G324-W328 VanDerWaalsContact O-CB 3.27Å; G324-W328 WeakPolarHBondContact O-CB 3.42Å; G324-W328 PolarHBondContact O-N 3.39Å
325E93.3Very high86.4Confident36 Ų3656.1 Ų56.117%0.16831%0.309CS..Hα-helixtrans-68.5-37.5-173.7-72.5-164.3144.800113.5A263 W321 G322 V323 W328 E329 R347A263-E325 HydrophobicContact CB-CG 4.2Å; W321-E325 HydrophobicContact CE3-CB 3.84Å; G322-E325 PolarHBondContact N-OE2 3.19Å; G322-E325 WeakPolarHBondContact O-CB 3.42Å; G322-E325 PolarHBondContact O-N 3.05Å; V323-E325 PolarHBondContact O-N 3.16Å; E325-W328 WeakPolarHBondContact O-CB 3.33Å; E325-W328 PolarHBondContact O-N 3.47Å; E325-E329 PolarHBondContact O-N 3.01Å; E325-R347 IonicContact OE1-NH2 2.67Å; E325-R347 PolarHBondContact OE1-NH2 3.02Å; E325-R347 IonicContact OE2-CZ 2.98Å; E325-R347 IonicContact OE2-NE 3.18Å; E325-R347 IonicContact OE2-NH1 2.78Å; E325-R347 IonicContact OE2-NH2 3.86Å; E325-R347 PolarHBondContact OE2-NH2 2.86Å
326L91.7Very high88.2Confident68 Ų6854.4 Ų54.436%0.35628%0.28SS..Hα-helixtrans-65.8-43.4178.817862.5000111A312 W321 G324 E329 A330A312-L326 HydrophobicContact CB-CD1 4.04Å; A312-L326 HydrophobicContact CB-CD2 4.21Å; W321-L326 HydrophobicContact CB-CB 4.48Å; W321-L326 HydrophobicContact CD2-CB 3.82Å; W321-L326 HydrophobicContact CD2-CD1 4.07Å; W321-L326 HydrophobicContact CD2-CG 4.49Å; W321-L326 VanDerWaalsContact CE3-CA 3.5Å; W321-L326 HydrophobicContact CE3-CB 3.89Å; W321-L326 HydrophobicContact CE3-CD1 4.35Å; W321-L326 HydrophobicContact CG-CB 4.08Å; W321-L326 HydrophobicContact CH2-CD1 3.87Å; W321-L326 HydrophobicContact CZ2-CD1 3.59Å; W321-L326 HydrophobicContact CZ3-CB 4.39Å; W321-L326 HydrophobicContact CZ3-CD1 4.25Å; G324-L326 PolarHBondContact O-N 3.05Å; L326-E329 PolarHBondContact O-N 3.44Å; L326-A330 PolarHBondContact O-N 3.39Å
327E92.9Very high89.5Confident57 Ų5752.1 Ų52.127%0.26627%0.27SS..Hα-helixtrans-67.9-41.1176.3-168.5-176.6162.700111.2Y267 G324 E329 A330 W331Y267-E327 WeakPolarHBondContact CD2-OE2 3.27Å; Y267-E327 VanDerWaalsContact CE2-OE2 3.32Å; Y267-E327 WeakPolarHBondContact CE2-OE2 3.35Å; G324-E327 PolarHBondContact O-N 3.43Å; E327-E329 VanDerWaalsContact C-N 3.3Å; E327-E329 PolarHBondContact O-N 2.89Å; E327-A330 WeakPolarHBondContact O-CA 3.26Å; E327-A330 WeakPolarHBondContact O-CB 3.35Å; E327-A330 PolarHBondContact O-N 3.06Å; E327-W331 PolarHBondContact O-N 3.18Å; E327-W331 PolarHBondContact OE1-NE1 3.39Å
328W95.9Very high90.6Very high6 Ų646.8 Ų46.82%0.02326%0.256CS..Hα-helixtrans-54.2-47.3172.8178.3-87.3000111.5K96 L100 L103 I262 A263 F266 G324 E325 A330 W331 M332 H344K96-W328 HydrophobicContact CB-CZ2 4.29Å; K96-W328 HydrophobicContact CG-CZ2 4.47Å; K96-W328 WeakPolarHBondContact O-CH2 3.46Å; L100-W328 HydrophobicContact CB-CH2 3.95Å; L100-W328 HydrophobicContact CB-CZ3 4.32Å; L100-W328 HydrophobicContact CD1-CZ3 4.3Å; L103-W328 HydrophobicContact CD1-CE3 4.28Å; L103-W328 HydrophobicContact CD1-CH2 4.22Å; L103-W328 HydrophobicContact CD1-CZ3 3.79Å; I262-W328 HydrophobicContact CG2-CH2 3.56Å; I262-W328 HydrophobicContact CG2-CZ2 4.12Å; I262-W328 HydrophobicContact CG2-CZ3 3.8Å; A263-W328 HydrophobicContact CB-CB 3.63Å; A263-W328 HydrophobicContact CB-CD2 4.11Å; A263-W328 HydrophobicContact CB-CE3 4.35Å; A263-W328 HydrophobicContact CB-CG 3.79Å; F266-W328 HydrophobicContact CB-CE3 4.23Å; F266-W328 HydrophobicContact CB-CZ3 4.08Å; F266-W328 HydrophobicContact CD1-CE3 4.01Å; F266-W328 HydrophobicContact CD1-CZ3 4.25Å; F266-W328 HydrophobicContact CG-CE3 4.31Å; F266-W328 HydrophobicContact CG-CZ3 4.16Å; G324-W328 VanDerWaalsContact O-CB 3.27Å; G324-W328 WeakPolarHBondContact O-CB 3.42Å; G324-W328 PolarHBondContact O-N 3.39Å; E325-W328 WeakPolarHBondContact O-CB 3.33Å; E325-W328 PolarHBondContact O-N 3.47Å; W328-A330 VanDerWaalsContact C-N 3.26Å; W328-A330 PolarHBondContact O-N 3.47Å; W328-W331 PolarHBondContact O-N 3.42Å; W328-W331 VanDerWaalsContact O-N 3.13Å; W328-M332 HydrophobicContact CD2-CE 4.16Å; W328-M332 HydrophobicContact CE3-CE 4.49Å; W328-M332 HydrophobicContact CH2-CE 3.91Å; W328-M332 HydrophobicContact CZ2-CE 3.51Å; W328-M332 HydrophobicContact CZ2-SD 3.78Å; W328-M332 HydrophobicContact CZ3-CE 4.39Å; W328-M332 VanDerWaalsContact O-CG 3.31Å; W328-M332 WeakPolarHBondContact O-CG 3.15Å; W328-M332 PolarHBondContact O-N 3.03Å; W328-H344 AromaticContact CD1-CE1 3.58Å; W328-H344 AromaticContact NE1-CE1 3.5Å; W328-H344 AromaticContact NE1-ND1 3.69Å
329E94.6Very high91.5Very high2 Ų241.9 Ų41.91%0.00924%0.244CC..Hα-helixtrans-61.4-35177.6-170.2169.5118.400112.2W321 E325 L326 E327 M332 R333 Y346 R347 Q348W321-E329 HydrophobicContact CH2-CB 4.36Å; W321-E329 WeakPolarHBondContact CH2-OE2 3.47Å; W321-E329 HydrophobicContact CZ3-CB 4.13Å; E325-E329 PolarHBondContact O-N 3.01Å; L326-E329 PolarHBondContact O-N 3.44Å; E327-E329 VanDerWaalsContact C-N 3.3Å; E327-E329 PolarHBondContact O-N 2.89Å; E329-M332 PolarHBondContact O-N 3.06Å; E329-R333 PolarHBondContact O-N 3.46Å; E329-Y346 HydrophobicContact CG-CD1 3.51Å; E329-Y346 HydrophobicContact CG-CE1 3.93Å; E329-R347 WeakPolarHBondContact OE2-CB 3.42Å; E329-R347 PolarHBondContact OE2-N 3.44Å; E329-Q348 VanDerWaalsContact OE1-CB 3.3Å; E329-Q348 WeakPolarHBondContact OE1-CB 3.18Å; E329-Q348 PolarHBondContact OE1-N 3.49Å
330A94.4Very high92Very high31 Ų3142.1 Ų42.126%0.25624%0.244SC..Hα-helixtrans-64.3-44172.900000112.5L326 E327 W328 M332 R333 V334L326-A330 PolarHBondContact O-N 3.39Å; E327-A330 WeakPolarHBondContact O-CA 3.26Å; E327-A330 WeakPolarHBondContact O-CB 3.35Å; E327-A330 PolarHBondContact O-N 3.06Å; W328-A330 VanDerWaalsContact C-N 3.26Å; W328-A330 PolarHBondContact O-N 3.47Å; A330-M332 VanDerWaalsContact C-N 3.32Å; A330-M332 PolarHBondContact O-N 3.42Å; A330-R333 WeakPolarHBondContact O-CB 3.44Å; A330-R333 PolarHBondContact O-N 3.45Å; A330-R333 VanDerWaalsContact O-N 3.14Å; A330-V334 PolarHBondContact O-N 3Å
331W96.5Very high92.5Very high49 Ų4941.5 Ų41.519%0.18623%0.234CC..Hα-helixtrans-64.3-34.6175.6-72.7117.9000112.9L103 F107 F266 E327 W328 R333 V334 L335L103-W331 HydrophobicContact CD1-CB 3.87Å; L103-W331 HydrophobicContact CD1-CG 4.36Å; L103-W331 HydrophobicContact CD2-CB 3.93Å; L103-W331 HydrophobicContact CD2-CD2 4.46Å; L103-W331 HydrophobicContact CD2-CE3 4.27Å; L103-W331 HydrophobicContact CD2-CG 4.34Å; F107-W331 AromaticContact CE1-CH2 3.58Å; F107-W331 HydrophobicContact CE1-CH2 3.58Å; F107-W331 AromaticContact CE1-CZ2 3.86Å; F107-W331 HydrophobicContact CE1-CZ2 3.86Å; F107-W331 HydrophobicContact CE1-CZ3 4.04Å; F107-W331 AromaticContact CZ-CD2 3.91Å; F107-W331 HydrophobicContact CZ-CD2 3.91Å; F107-W331 AromaticContact CZ-CE2 3.67Å; F107-W331 AromaticContact CZ-CE3 3.85Å; F107-W331 HydrophobicContact CZ-CE3 3.85Å; F107-W331 AromaticContact CZ-CH2 3.4Å; F107-W331 HydrophobicContact CZ-CH2 3.4Å; F107-W331 AromaticContact CZ-CZ2 3.43Å; F107-W331 HydrophobicContact CZ-CZ2 3.43Å; F107-W331 VanDerWaalsContact CZ-CZ2 3.43Å; F107-W331 AromaticContact CZ-CZ3 3.6Å; F107-W331 HydrophobicContact CZ-CZ3 3.6Å; F266-W331 AromaticContact CE1-CD1 3.57Å; F266-W331 HydrophobicContact CE1-CG 4.28Å; F266-W331 AromaticContact CE1-NE1 3.77Å; E327-W331 PolarHBondContact O-N 3.18Å; E327-W331 PolarHBondContact OE1-NE1 3.39Å; W328-W331 PolarHBondContact O-N 3.42Å; W328-W331 VanDerWaalsContact O-N 3.13Å; W331-R333 VanDerWaalsContact C-N 3.3Å; W331-R333 PolarHBondContact O-N 2.8Å; W331-V334 HydrophobicContact CE3-CB 4.29Å; W331-V334 HydrophobicContact CE3-CG2 4.11Å; W331-V334 HydrophobicContact CZ3-CG2 4.35Å; W331-V334 WeakPolarHBondContact O-CB 3.25Å; W331-V334 PolarHBondContact O-N 3.32Å; W331-L335 PolarHBondContact O-N 3.45Å
332M96.9Very high92.8Very high1 Ų140.8 Ų40.81%0.00523%0.232CC..Hα-helixtrans-62.7-38.3173.1-62.2-61.697.400111.6L103 W328 E329 A330 V334 L335 D336 T342 H344 Y346L103-M332 HydrophobicContact CD1-CE 3.8Å; L103-M332 HydrophobicContact CG-CE 4.42Å; W328-M332 HydrophobicContact CD2-CE 4.16Å; W328-M332 HydrophobicContact CE3-CE 4.49Å; W328-M332 HydrophobicContact CH2-CE 3.91Å; W328-M332 HydrophobicContact CZ2-CE 3.51Å; W328-M332 HydrophobicContact CZ2-SD 3.78Å; W328-M332 HydrophobicContact CZ3-CE 4.39Å; W328-M332 VanDerWaalsContact O-CG 3.31Å; W328-M332 WeakPolarHBondContact O-CG 3.15Å; W328-M332 PolarHBondContact O-N 3.03Å; E329-M332 PolarHBondContact O-N 3.06Å; A330-M332 VanDerWaalsContact C-N 3.32Å; A330-M332 PolarHBondContact O-N 3.42Å; M332-V334 VanDerWaalsContact C-N 3.31Å; M332-V334 PolarHBondContact O-N 3.48Å; M332-L335 HydrophobicContact CE-CD1 3.81Å; M332-L335 PolarHBondContact O-N 2.98Å; M332-D336 WeakPolarHBondContact O-CB 3.39Å; M332-D336 PolarHBondContact O-N 3.14Å; M332-T342 HydrophobicContact SD-CG2 3.96Å; M332-H344 HydrophobicContact CB-CB 3.95Å; M332-H344 HydrophobicContact CG-CB 3.88Å; M332-H344 VanDerWaalsContact CG-CG 3.47Å; M332-H344 HydrophobicContact SD-CB 4.18Å; M332-Y346 HydrophobicContact CB-CE1 4.12Å; M332-Y346 PolarHBondContact O-OH 3.1Å; M332-Y346 VanDerWaalsContact O-OH 3.09Å
333R94.1Very high93Very high61 Ų6141.3 Ų41.323%0.2324%0.237CC..Hα-helixtrans-62.7-38.4174-64.5-169.3-66-87.34.1112E329 A330 W331 S337 Y346 L351E329-R333 PolarHBondContact O-N 3.46Å; A330-R333 WeakPolarHBondContact O-CB 3.44Å; A330-R333 PolarHBondContact O-N 3.45Å; A330-R333 VanDerWaalsContact O-N 3.14Å; W331-R333 VanDerWaalsContact C-N 3.3Å; W331-R333 PolarHBondContact O-N 2.8Å; R333-S337 WeakPolarHBondContact O-CB 3.33Å; R333-S337 PolarHBondContact O-N 3.09Å; R333-S337 PolarHBondContact O-OG 2.96Å; R333-Y346 WeakPolarHBondContact CA-OH 3.44Å; R333-Y346 HydrophobicContact CG-CD1 4.31Å; R333-Y346 HydrophobicContact CG-CE1 3.46Å; R333-Y346 VanDerWaalsContact CG-CE1 3.46Å; R333-Y346 PolarHBondContact N-OH 3.08Å; R333-L351 WeakPolarHBondContact CD-O 3.46Å
334V93.2Very high93.2Very high67 Ų6740.9 Ų40.941%0.40623%0.232SC..Hα-helixtrans-61.6-49.3175.9175.20000110.3L106 A330 W331 M332 S337 A338L106-V334 HydrophobicContact CD2-CG1 4.38Å; A330-V334 PolarHBondContact O-N 3Å; W331-V334 HydrophobicContact CE3-CB 4.29Å; W331-V334 HydrophobicContact CE3-CG2 4.11Å; W331-V334 HydrophobicContact CZ3-CG2 4.35Å; W331-V334 WeakPolarHBondContact O-CB 3.25Å; W331-V334 PolarHBondContact O-N 3.32Å; M332-V334 VanDerWaalsContact C-N 3.31Å; M332-V334 PolarHBondContact O-N 3.48Å; V334-S337 PolarHBondContact O-N 3.33Å; V334-A338 WeakPolarHBondContact O-CB 3.26Å; V334-A338 PolarHBondContact O-N 2.84Å
335L93.9Very high93.3Very high2 Ų245.8 Ų45.81%0.0125%0.254CS..Hα-helixtrans-64-44.6178.5-69.4-178.5000112.5I75 R102 L103 L106 W331 M332 A338 G339 Y340 T342I75-L335 HydrophobicContact CD1-CD1 4.07Å; R102-L335 HydrophobicContact CB-CD1 4.35Å; R102-L335 HydrophobicContact CB-CD2 4.22Å; L103-L335 HydrophobicContact CD2-CD1 3.85Å; L103-L335 HydrophobicContact CD2-CD2 4.09Å; L103-L335 HydrophobicContact CD2-CG 3.89Å; L103-L335 HydrophobicContact CG-CD1 3.99Å; L106-L335 HydrophobicContact CD2-CD2 4.49Å; W331-L335 PolarHBondContact O-N 3.45Å; M332-L335 HydrophobicContact CE-CD1 3.81Å; M332-L335 PolarHBondContact O-N 2.98Å; L335-A338 CarbonylContact O-C 3.59Å; L335-A338 PolarHBondContact O-N 3.26Å; L335-G339 PolarHBondContact O-N 3.46Å; L335-Y340 HydrophobicContact CB-CD2 4.31Å; L335-Y340 HydrophobicContact CD2-CD2 3.85Å; L335-Y340 HydrophobicContact CD2-CE2 4.11Å; L335-Y340 HydrophobicContact CD2-CG 4.3Å; L335-Y340 WeakPolarHBondContact O-CB 3.47Å; L335-Y340 WeakPolarHBondContact O-CD2 3.28Å; L335-Y340 PolarHBondContact O-N 3.47Å; L335-T342 HydrophobicContact CB-CG2 3.48Å; L335-T342 VanDerWaalsContact CB-CG2 3.48Å; L335-T342 HydrophobicContact CD1-CG2 3.83Å; L335-T342 HydrophobicContact CG-CG2 4.34Å
336D93.2Very high93.2Very high44 Ų4445.6 Ų45.624%0.23525%0.252CS..Hα-helixtrans-66.5-38.6178.8-77.1-20.7000112M332 A338 G339 T342 Y346M332-D336 WeakPolarHBondContact O-CB 3.39Å; M332-D336 PolarHBondContact O-N 3.14Å; D336-A338 PolarHBondContact O-N 3.33Å; D336-G339 PolarHBondContact O-N 3.11Å; D336-T342 VanDerWaalsContact CG-OG1 3.22Å; D336-T342 WeakPolarHBondContact OD1-CB 3.4Å; D336-T342 VanDerWaalsContact OD1-CG2 3.29Å; D336-T342 WeakPolarHBondContact OD1-CG2 3.39Å; D336-T342 PolarHBondContact OD1-N 3.01Å; D336-T342 PolarHBondContact OD1-OG1 2.78Å; D336-T342 PolarHBondContact OD2-OG1 3.23Å; D336-Y346 WeakPolarHBondContact OD2-CE2 3.32Å; D336-Y346 PolarHBondContact OD2-OH 3.34Å
337S89Confident93.1Very high82 Ų8247.8 Ų47.857%0.57326%0.256SS*.Hα-helixtrans-65.5-29.4174.8-58.40000112.3R333 V334 G339R333-S337 WeakPolarHBondContact O-CB 3.33Å; R333-S337 PolarHBondContact O-N 3.09Å; R333-S337 PolarHBondContact O-OG 2.96Å; V334-S337 PolarHBondContact O-N 3.33Å; S337-G339 VanDerWaalsContact C-N 3.27Å
338A89Confident92.7Very high48 Ų4845.6 Ų45.640%0.39725%0.246SC..THydrogen-bonded Turntrans-81.7-1.3172.400000113.3I72 V334 L335 D336 Y340I72-A338 WeakPolarHBondContact CD1-O 3.31Å; V334-A338 WeakPolarHBondContact O-CB 3.26Å; V334-A338 PolarHBondContact O-N 2.84Å; L335-A338 CarbonylContact O-C 3.59Å; L335-A338 PolarHBondContact O-N 3.26Å; D336-A338 PolarHBondContact O-N 3.33Å; A338-Y340 HydrophobicContact CB-CD2 3.8Å; A338-Y340 HydrophobicContact CB-CE2 3.81Å
339G89.6Confident92Very high35 Ų3549.2 Ų49.236%0.36127%0.27SS..THydrogen-bonded Turntrans90.96.6174.300000115.6L335 D336 S337 R341L335-G339 PolarHBondContact O-N 3.46Å; D336-G339 PolarHBondContact O-N 3.11Å; S337-G339 VanDerWaalsContact C-N 3.27Å; G339-R341 PolarHBondContact O-N 2.88Å
340Y91.2Very high91.3Very high32 Ų3255.4 Ų55.413%0.12529%0.293CS..  trans-69.5-14.8-179-72.9-86.5000114.3I72 P74 I75 R102 L335 A338 T342I72-Y340 HydrophobicContact CG2-CD1 3.59Å; I72-Y340 HydrophobicContact CG2-CD2 4.37Å; I72-Y340 HydrophobicContact CG2-CE1 3.82Å; I72-Y340 HydrophobicContact CG2-CG 3.89Å; P74-Y340 CarbonylContact C-O 3.57Å; P74-Y340 VanDerWaalsContact CA-O 3.31Å; P74-Y340 WeakPolarHBondContact CA-O 3.47Å; I75-Y340 HydrophobicContact CD1-CD1 4.44Å; I75-Y340 HydrophobicContact CD1-CG 4.32Å; I75-Y340 PolarHBondContact N-O 3.47Å; R102-Y340 HydrophobicContact CG-CD1 4.26Å; R102-Y340 HydrophobicContact CG-CE1 4.48Å; L335-Y340 HydrophobicContact CB-CD2 4.31Å; L335-Y340 HydrophobicContact CD2-CD2 3.85Å; L335-Y340 HydrophobicContact CD2-CE2 4.11Å; L335-Y340 HydrophobicContact CD2-CG 4.3Å; L335-Y340 WeakPolarHBondContact O-CB 3.47Å; L335-Y340 WeakPolarHBondContact O-CD2 3.28Å; L335-Y340 PolarHBondContact O-N 3.47Å; A338-Y340 HydrophobicContact CB-CD2 3.8Å; A338-Y340 HydrophobicContact CB-CE2 3.81Å; Y340-T342 PolarHBondContact O-N 2.99Å
341R93Very high90.7Very high151 Ų15157.4 Ų57.457%0.5730%0.299SS*.  trans48.165.9179.6-56.2-178.3-172.9-164.10.8111.8P74 A76 G339 G343P74-R341 HydrophobicContact CB-CB 4.19Å; A76-R341 WeakPolarHBondContact CB-O 3.49Å; A76-R341 PolarHBondContact N-O 2.93Å; G339-R341 PolarHBondContact O-N 2.88Å; R341-G343 PolarHBondContact O-N 3.44Å; R341-G343 VanDerWaalsContact O-N 3.12Å
342T95.1Very high89.3Confident0 Ų056.5 Ų56.50%030%0.3CS..  trans-56.3-27.6-177.661.30000113.5I75 M332 L335 D336 Y340 H344I75-T342 HydrophobicContact CD1-CG2 3.82Å; M332-T342 HydrophobicContact SD-CG2 3.96Å; L335-T342 HydrophobicContact CB-CG2 3.48Å; L335-T342 VanDerWaalsContact CB-CG2 3.48Å; L335-T342 HydrophobicContact CD1-CG2 3.83Å; L335-T342 HydrophobicContact CG-CG2 4.34Å; D336-T342 VanDerWaalsContact CG-OG1 3.22Å; D336-T342 WeakPolarHBondContact OD1-CB 3.4Å; D336-T342 VanDerWaalsContact OD1-CG2 3.29Å; D336-T342 WeakPolarHBondContact OD1-CG2 3.39Å; D336-T342 PolarHBondContact OD1-N 3.01Å; D336-T342 PolarHBondContact OD1-OG1 2.78Å; D336-T342 PolarHBondContact OD2-OG1 3.23Å; Y340-T342 PolarHBondContact O-N 2.99Å; T342-H344 PolarHBondContact O-N 2.89Å; T342-H344 VanDerWaalsContact OG1-CB 3.27Å; T342-H344 WeakPolarHBondContact OG1-CB 3.49Å; T342-H344 PolarHBondContact OG1-N 3.45Å; T342-H344 VanDerWaalsContact OG1-N 3.09Å
343G93.2Very high87.4Confident40 Ų4060.3 Ų60.341%0.41233%0.327SS..  trans66.522-168.900000112.6R341R341-G343 PolarHBondContact O-N 3.44Å; R341-G343 VanDerWaalsContact O-N 3.12Å
344H94.8Very high85.6Confident34 Ų3466.6 Ų66.616%0.15736%0.356CS..  trans-67.5140.7178.5-172.470.1000111.9W328 M332 T342 Y346W328-H344 AromaticContact CD1-CE1 3.58Å; W328-H344 AromaticContact NE1-CE1 3.5Å; W328-H344 AromaticContact NE1-ND1 3.69Å; M332-H344 HydrophobicContact CB-CB 3.95Å; M332-H344 HydrophobicContact CG-CB 3.88Å; M332-H344 VanDerWaalsContact CG-CG 3.47Å; M332-H344 HydrophobicContact SD-CB 4.18Å; T342-H344 PolarHBondContact O-N 2.89Å; T342-H344 VanDerWaalsContact OG1-CB 3.27Å; T342-H344 WeakPolarHBondContact OG1-CB 3.49Å; T342-H344 PolarHBondContact OG1-N 3.45Å; T342-H344 VanDerWaalsContact OG1-N 3.09Å; H344-Y346 HydrophobicContact CB-CE2 4.25Å; H344-Y346 AromaticContact CD2-CD1 3.87Å; H344-Y346 AromaticContact CD2-CE1 3.86Å
345I93Very high83.3Confident116 Ų11666.3 Ų66.360%0.59536%0.361SS*.  trans-96.197.5175.5-55.1173.2000107.5I92I92-I345 HydrophobicContact CD1-CD1 3.93Å; I92-I345 HydrophobicContact CG1-CD1 4.25Å
346Y92.2Very high80.7Confident31 Ų3171.5 Ų71.512%0.12240%0.395CS..  trans-66.7130.3-179.6-69.3-86.1000112.1E329 M332 R333 D336 H344 Q348E329-Y346 HydrophobicContact CG-CD1 3.51Å; E329-Y346 HydrophobicContact CG-CE1 3.93Å; M332-Y346 HydrophobicContact CB-CE1 4.12Å; M332-Y346 PolarHBondContact O-OH 3.1Å; M332-Y346 VanDerWaalsContact O-OH 3.09Å; R333-Y346 WeakPolarHBondContact CA-OH 3.44Å; R333-Y346 HydrophobicContact CG-CD1 4.31Å; R333-Y346 HydrophobicContact CG-CE1 3.46Å; R333-Y346 VanDerWaalsContact CG-CE1 3.46Å; R333-Y346 PolarHBondContact N-OH 3.08Å; D336-Y346 WeakPolarHBondContact OD2-CE2 3.32Å; D336-Y346 PolarHBondContact OD2-OH 3.34Å; H344-Y346 HydrophobicContact CB-CE2 4.25Å; H344-Y346 AromaticContact CD2-CD1 3.87Å; H344-Y346 AromaticContact CD2-CE1 3.86Å; Y346-Q348 VanDerWaalsContact C-N 3.34Å
347R88.7Confident78.5Confident114 Ų11475 Ų7543%0.4341%0.413SS..SBendtrans-75.6-26.2167.1-62.2-172.5178.9-148.110.2111.5I319 Q320 W321 E325 E329 P349I319-R347 HydrophobicContact CD1-CB 4.45Å; Q320-R347 PolarHBondContact O-NH1 3.42Å; W321-R347 HydrophobicContact CH2-CB 3.85Å; W321-R347 HydrophobicContact CH2-CG 4.45Å; W321-R347 HydrophobicContact CZ2-CB 4.44Å; W321-R347 HydrophobicContact CZ3-CB 4.28Å; W321-R347 HydrophobicContact CZ3-CG 4.39Å; E325-R347 IonicContact OE1-NH2 2.67Å; E325-R347 PolarHBondContact OE1-NH2 3.02Å; E325-R347 IonicContact OE2-CZ 2.98Å; E325-R347 IonicContact OE2-NE 3.18Å; E325-R347 IonicContact OE2-NH1 2.78Å; E325-R347 IonicContact OE2-NH2 3.86Å; E325-R347 PolarHBondContact OE2-NH2 2.86Å; E329-R347 WeakPolarHBondContact OE2-CB 3.42Å; E329-R347 PolarHBondContact OE2-N 3.44Å; R347-P349 VanDerWaalsContact C-CD 3.46Å; R347-P349 WeakPolarHBondContact O-CD 3.41Å
348Q84.8Confident75.9Confident12 Ų1276 Ų766%0.05643%0.425CS..SBendtrans-11675172-55.2-173.6-60.500111.8I319 W321 E329 Y346 W350 L351I319-Q348 HydrophobicContact CD1-CG 3.75Å; W321-Q348 HydrophobicContact CH2-CG 4.15Å; W321-Q348 HydrophobicContact CZ2-CG 3.87Å; E329-Q348 VanDerWaalsContact OE1-CB 3.3Å; E329-Q348 WeakPolarHBondContact OE1-CB 3.18Å; E329-Q348 PolarHBondContact OE1-N 3.49Å; Y346-Q348 VanDerWaalsContact C-N 3.34Å; Q348-W350 HydrophobicContact CB-CD2 4.35Å; Q348-W350 HydrophobicContact CB-CE3 4.43Å; Q348-W350 HydrophobicContact CB-CH2 3.56Å; Q348-W350 HydrophobicContact CB-CZ2 3.53Å; Q348-W350 HydrophobicContact CB-CZ3 4.06Å; Q348-W350 HydrophobicContact CG-CH2 3.54Å; Q348-W350 HydrophobicContact CG-CZ2 3.61Å; Q348-W350 HydrophobicContact CG-CZ3 4.42Å; Q348-W350 PolarHBondContact O-N 2.56Å; Q348-W350 VanDerWaalsContact O-N 3.1Å; Q348-L351 HydrophobicContact CB-CB 4.48Å; Q348-L351 HydrophobicContact CB-CD1 3.98Å; Q348-L351 HydrophobicContact CB-CG 4.22Å; Q348-L351 PolarHBondContact O-N 3.47Å; Q348-L351 VanDerWaalsContact O-N 3.08Å
349P80.8Confident73.3Confident81 Ų8179.9 Ų79.953%0.52644%0.435SS..G310 helixtrans-59.3-27-173.7-24.433.8000114.8R347 L351 S352R347-P349 VanDerWaalsContact C-CD 3.46Å; R347-P349 WeakPolarHBondContact O-CD 3.41Å; P349-L351 VanDerWaalsContact C-N 3.29Å; P349-L351 PolarHBondContact O-N 2.67Å; P349-S352 WeakPolarHBondContact O-CB 3.46Å; P349-S352 PolarHBondContact O-N 3.5Å
350W81.2Confident70.8Confident133 Ų13381.5 Ų81.550%0.50444%0.441SS..G310 helixtrans-71-23.2179.663.889.5000113.2D314 I319 Q348 S352D314-W350 HydrophobicContact CB-CH2 3.47Å; D314-W350 VanDerWaalsContact CB-CH2 3.47Å; D314-W350 HydrophobicContact CB-CZ2 3.84Å; D314-W350 HydrophobicContact CB-CZ3 4.43Å; D314-W350 VanDerWaalsContact CG-CZ2 3.47Å; D314-W350 VanDerWaalsContact OD1-CH2 3.29Å; D314-W350 WeakPolarHBondContact OD1-CH2 3.33Å; D314-W350 WeakPolarHBondContact OD1-CZ2 3.14Å; D314-W350 WeakPolarHBondContact OD2-CH2 3.43Å; D314-W350 WeakPolarHBondContact OD2-CZ3 3.43Å; I319-W350 HydrophobicContact CD1-CH2 4.48Å; Q348-W350 HydrophobicContact CB-CD2 4.35Å; Q348-W350 HydrophobicContact CB-CE3 4.43Å; Q348-W350 HydrophobicContact CB-CH2 3.56Å; Q348-W350 HydrophobicContact CB-CZ2 3.53Å; Q348-W350 HydrophobicContact CB-CZ3 4.06Å; Q348-W350 HydrophobicContact CG-CH2 3.54Å; Q348-W350 HydrophobicContact CG-CZ2 3.61Å; Q348-W350 HydrophobicContact CG-CZ3 4.42Å; Q348-W350 PolarHBondContact O-N 2.56Å; Q348-W350 VanDerWaalsContact O-N 3.1Å; W350-S352 VanDerWaalsContact C-N 3.34Å
351L80.9Confident68.3Low73 Ų7387.3 Ų87.338%0.38247%0.474SS..G310 helixtrans-79-22.1173.2-68.5-179.3000112.2R333 Q348 P349 S353R333-L351 WeakPolarHBondContact CD-O 3.46Å; Q348-L351 HydrophobicContact CB-CB 4.48Å; Q348-L351 HydrophobicContact CB-CD1 3.98Å; Q348-L351 HydrophobicContact CB-CG 4.22Å; Q348-L351 PolarHBondContact O-N 3.47Å; Q348-L351 VanDerWaalsContact O-N 3.08Å; P349-L351 VanDerWaalsContact C-N 3.29Å; P349-L351 PolarHBondContact O-N 2.67Å; L351-S353 VanDerWaalsContact C-N 3.29Å; L351-S353 PolarHBondContact O-N 2.89Å
352S67.6Low66Low29 Ų2986.2 Ų86.220%0.20348%0.484CS..SBendtrans-67.795.1172.9-171.60000107.4P349 W350 K354P349-S352 WeakPolarHBondContact O-CB 3.46Å; P349-S352 PolarHBondContact O-N 3.5Å; W350-S352 VanDerWaalsContact C-N 3.34Å; S352-K354 PolarHBondContact O-N 3.28Å
353S56.6Low63.7Low82 Ų8290 Ų9057%0.57352%0.516SS*.  trans-62.995.7169.4-173.40000106.4L351 A355L351-S353 VanDerWaalsContact C-N 3.29Å; L351-S353 PolarHBondContact O-N 2.89Å; S353-A355 PolarHBondContact O-N 3.13Å; S353-A355 PolarHBondContact OG-N 2.89Å
354K55.6Low61.1Low192 Ų19295.5 Ų95.584%0.83553%0.53SS*.  trans-64.778.2148-66-177.4-176.1178.50104.2S352 P356S352-K354 PolarHBondContact O-N 3.28Å; K354-P356 WeakPolarHBondContact O-CD 3.29Å
355A45.5Very low58.3Low61 Ų6198.6 Ų98.650%0.50455%0.554SS.*  trans-46.4124158.300000103.1S353 L357S353-A355 PolarHBondContact O-N 3.13Å; S353-A355 PolarHBondContact OG-N 2.89Å; A355-L357 VanDerWaalsContact C-N 3.29Å; A355-L357 PolarHBondContact O-N 3.44Å
356P40Very low55.7Low112 Ų11299.6 Ų99.673%0.72757%0.568SS**  trans-51.4116.7168.721-26.3000102.3K354 A358K354-P356 WeakPolarHBondContact O-CD 3.29Å; P356-A358 PolarHBondContact O-N 3.32Å; P356-A358 VanDerWaalsContact O-N 3.13Å
357L46.3Very low53.5Low118 Ų118102.1 Ų102.162%0.61860%0.595SS**  trans-39.7133.5157.4-76.1157.1000102.7A355 H359A355-L357 VanDerWaalsContact C-N 3.29Å; A355-L357 PolarHBondContact O-N 3.44Å; L357-H359 PolarHBondContact O-N 3.12Å
358A34.8Very low51.1Low101 Ų101100.6 Ų100.684%0.83561%0.607SS**  trans-52.194.416200000104P356 S360P356-A358 PolarHBondContact O-N 3.32Å; P356-A358 VanDerWaalsContact O-N 3.13Å; A358-S360 PolarHBondContact O-N 3.49Å
359H34.7Very low48.8Very low130 Ų130107 Ų10760%0.60265%0.647SS**  trans-69.384.5167-87.5-73.100097.8L357 D361L357-H359 PolarHBondContact O-N 3.12Å; H359-D361 PolarHBondContact O-N 3.09Å
360S36.1Very low46.5Very low70 Ų70107.4 Ų107.449%0.4966%0.657SS.*  trans-52.699.8143.6178.10000102.3A358 V362 A363A358-S360 PolarHBondContact O-N 3.49Å; S360-V362 PolarHBondContact O-N 2.91Å; S360-V362 WeakPolarHBondContact OG-CB 2.89Å; S360-V362 WeakPolarHBondContact OG-CG2 3.28Å; S360-A363 PolarHBondContact O-N 2.75Å; S360-A363 VanDerWaalsContact O-N 3.09Å
361D40.2Very low44.1Very low153 Ų153113.5 Ų113.582%0.81868%0.68SS**THydrogen-bonded Turntrans-54.82174.8-75.7-28.3000112H359H359-D361 PolarHBondContact O-N 3.09Å
362V44.5Very low41.8Very low129 Ų129113 Ų11378%0.78269%0.693SS**THydrogen-bonded Turntrans-85.3-17.8177.3-167.10000113.3S360S360-V362 PolarHBondContact O-N 2.91Å; S360-V362 WeakPolarHBondContact OG-CB 2.89Å; S360-V362 WeakPolarHBondContact OG-CG2 3.28Å
363A47.1Very low40.2Very low80 Ų80119.6 Ų119.666%0.66173%0.725SS**SBendtrans-96.6-10.9-165.600000117.6S360S360-A363 PolarHBondContact O-N 2.75Å; S360-A363 VanDerWaalsContact O-N 3.09Å
364Q38.6Very low39.1Very low154 Ų154123.7 Ų123.772%0.7274%0.74SS**  trans-133.4109.9174.7-79.6-164.2-44.700111.9
365P34.5Very low38.1Very low99 Ų99120.4 Ų120.464%0.64374%0.736SS**  trans-62140168.224.5-30.4000109.4A367P365-A367 PolarHBondContact O-N 2.69Å
366P39.8Very low37.5Very low138 Ų138126.8 Ų126.890%0.89676%0.755SS**THydrogen-bonded Turntrans-6116-177.7-24.132.9000117.5
367A46.2Very low37.3Very low84 Ų84126.2 Ų126.269%0.69475%0.754SS**THydrogen-bonded Turntrans-105.8-0.9-174.100000115P365 T369P365-A367 PolarHBondContact O-N 2.69Å; A367-T369 PolarHBondContact O-N 2.68Å; A367-T369 VanDerWaalsContact O-N 3.11Å
368A37.8Very low36.7Very low81 Ų81127.8 Ų127.867%0.66976%0.763SS**  trans-79.912-169.600000116
369T35.4Very low36.8Very low146 Ų146131.1 Ų131.190%0.89676%0.761SS**  trans-122.863.7179.2-33.10000111.8A367A367-T369 PolarHBondContact O-N 2.68Å; A367-T369 VanDerWaalsContact O-N 3.11Å
370A33.5Very low36.7Very low91 Ų91130.6 Ų130.675%0.75277%0.769SS**  trans-132.488.5160.400000108.5G372A370-G372 PolarHBondContact O-N 3.18Å
371R30.9Very low36.7Very low261 Ų261132.9 Ų132.999%0.98578%0.782SS**  trans-77.393.7161.5-94.4-175.1161.3155.5-4.4107.3
372G32.3Very low36.3Very low63 Ų63136.7 Ų136.765%0.64979%0.787SS**  trans-93123.2160.900000108.9A370 L374A370-G372 PolarHBondContact O-N 3.18Å; G372-L374 PolarHBondContact O-N 3.39Å
373L33.7Very low35.8Very low166 Ų166138.3 Ų138.387%0.86979%0.789SS**  trans-58.3122160-97.978.8000107.5
374L33.3Very low35.2Very low169 Ų169142.1 Ų142.189%0.88580%0.798SS**  trans-116.8108.2164.3-74.6170.7000107.5G372G372-L374 PolarHBondContact O-N 3.39Å
375T36.1Very low34.9Very low123 Ų123144.4 Ų144.476%0.75581%0.808SS**  trans-72140.2163.344.80000109S377T375-S377 PolarHBondContact O-N 3.39Å
376E32.7Very low34.9Very low194 Ų194142.9 Ų142.991%0.90781%0.811SS**SBendtrans-61.6108.7-179.2-65.9-175.2151.800112.3
377S35.5Very low34.5Very low101 Ų101146 Ų14671%0.70681%0.81SS**  trans175.4136.4141.526.20000108.2T375T375-S377 PolarHBondContact O-N 3.39Å
378D33.9Very low34Very low151 Ų151149.7 Ų149.781%0.80782%0.818SS**SBendtrans83.4141.6167.7-54.4-22.5000119.8
379H35.2Very low33.9Very low171 Ų171154.6 Ų154.679%0.79283%0.827SS**PPolyproline II helixtrans-62156-161.9-59.5-77.3000115.4
380P34.5Very low34.1Very low118 Ų118150.6 Ų150.677%0.76682%0.815SS**PPolyproline II helixtrans-73.4130.5-177.730.1-32.2000111
381P34.8Very low34.4Very low119 Ų119151.3 Ų151.377%0.77381%0.81SS**PPolyproline II helixtrans-86137.9171.632.7-28.8000111
382Y31.5Very low35.1Very low232 Ų232147 Ų14791%0.9179%0.793SS**PPolyproline II helixtrans-53.8138.2166.2-81.7-107.8000111.7
383I35.3Very low35.7Very low163 Ų163149.8 Ų149.884%0.83679%0.791SS**  trans-121.3137.7159.4-64.5-177.5000108.9
384L34.1Very low36.1Very low161 Ų161146.9 Ų146.984%0.84378%0.777SS**  trans-65.9144.9-160.2-78.674.8000114.9G386L384-G386 PolarHBondContact O-N 2.7Å
385H32.3Very low36.5Very low201 Ų201142.7 Ų142.793%0.93176%0.762SS**  trans-67.7116.8156.9-100.6-61.2000110.9
386G33.6Very low37Very low68 Ų68141.5 Ų141.570%0.70176%0.756SS**  trans-117.8120162.500000109.8L384 N388L384-G386 PolarHBondContact O-N 2.7Å; G386-N388 PolarHBondContact O-N 3.42Å
387K31.7Very low38Very low204 Ų204134.5 Ų134.589%0.88772%0.724SS**  trans-61.1127.7169.4-68.7173175.9176.50108.6
388N36.2Very low39Very low160 Ų160131.4 Ų131.486%0.85671%0.705SS**  trans-156.6148.7148.1-102.6-14.7000112.9G386G386-N388 PolarHBondContact O-N 3.42Å
389E36.6Very low40.5Very low184 Ų184129.5 Ų129.586%0.8669%0.687SS**  trans-77.5154.1-163.1-64.1162.3160.400112.9
390G37.9Very low42.1Very low63 Ų63124.3 Ų124.365%0.64967%0.667SS**  trans60.365.8148.400000117.8W392G390-W392 PolarHBondContact O-N 2.94Å; G390-W392 VanDerWaalsContact O-N 3.16Å
391V41Very low44.2Very low105 Ų105124.7 Ų124.764%0.63666%0.657SS**  trans-78.1101.8171-176.60000110M393V391-M393 HydrophobicContact CG1-CG 4.18Å
392W45.4Very low46.3Very low170 Ų170123 Ų12364%0.64464%0.641SS**  trans-83.8123.2162.7-65.186.9000108.5G390 P429G390-W392 PolarHBondContact O-N 2.94Å; G390-W392 VanDerWaalsContact O-N 3.16Å; W392-P429 HydrophobicContact CE3-CB 4.03Å; W392-P429 HydrophobicContact CZ3-CB 3.9Å; W392-P429 HydrophobicContact CZ3-CG 4.39Å
393M43.6Very low48.5Very low123 Ų123117.6 Ų117.661%0.60663%0.627SS**  trans-104.897167.7-76.1-137.7-66.600109.3V391 I432V391-M393 HydrophobicContact CG1-CG 4.18Å; M393-I432 HydrophobicContact CB-CD1 4.44Å; M393-I432 HydrophobicContact CE-CD1 4.33Å; M393-I432 HydrophobicContact CG-CD1 4.19Å
394N42.8Very low50.5Low105 Ų105112.7 Ų112.756%0.56160%0.603SS**  trans170.7112.8142.1-86.4-7.4000103.8P396 S427N394-P396 WeakPolarHBondContact O-CD 3.04Å; N394-S427 PolarHBondContact ND2-OG 2.82Å
395S42.5Very low52.7Low81 Ų81112 Ų11257%0.56659%0.593SS**  trans-62.5125.4162.559.90000106N397S395-N397 PolarHBondContact O-N 3.4Å; S395-N397 PolarHBondContact OG-O 3.07Å
396P46.5Very low54.6Low97 Ų97106.6 Ų106.663%0.6357%0.568SS**SBendtrans-63-1.1175.425.2-32.4000112.8N394N394-P396 WeakPolarHBondContact O-CD 3.04Å
397N53.4Low56.3Low47 Ų47110.2 Ų110.225%0.25158%0.577SS.*  trans-96.4112-172.8-59.5-5.5000109.4S395 Y399 Q420S395-N397 PolarHBondContact O-N 3.4Å; S395-N397 PolarHBondContact OG-O 3.07Å; N397-Y399 HydrophobicContact CB-CD2 4.26Å; N397-Y399 HydrophobicContact CB-CE1 4.33Å; N397-Y399 HydrophobicContact CB-CE2 3.53Å; N397-Y399 PolarHBondContact ND2-OH 3.02Å; N397-Y399 VanDerWaalsContact ND2-OH 3.14Å; N397-Y399 WeakPolarHBondContact O-CD2 3.29Å; N397-Y399 WeakPolarHBondContact O-CE2 3.48Å; N397-Q420 HydrophobicContact CB-CG 3.96Å; N397-Q420 VanDerWaalsContact CG-CD 3.49Å; N397-Q420 PolarHBondContact ND2-NE2 3.5Å; N397-Q420 PolarHBondContact OD1-NE2 3.46Å
398A56.5Low58.2Low36 Ų36104.7 Ų104.730%0.29858%0.578SS.*  trans-69.9145.7155.500000108.5Q420 D421 A424A398-Q420 CarbonylContact O-C 3.51Å; A398-Q420 WeakPolarHBondContact O-CA 3.46Å; A398-D421 HydrophobicContact CB-CB 3.6Å; A398-D421 PolarHBondContact O-N 2.87Å; A398-A424 HydrophobicContact CB-CB 3.29Å
399Y65.6Low59.6Low112 Ų112100.6 Ų100.644%0.43956%0.559SS.*EExtended strand (participates in β ladder)trans-127.5130.8175.8-63.6-89.5000110.2N397 W418 V419 Q420N397-Y399 HydrophobicContact CB-CD2 4.26Å; N397-Y399 HydrophobicContact CB-CE1 4.33Å; N397-Y399 HydrophobicContact CB-CE2 3.53Å; N397-Y399 PolarHBondContact ND2-OH 3.02Å; N397-Y399 VanDerWaalsContact ND2-OH 3.14Å; N397-Y399 WeakPolarHBondContact O-CD2 3.29Å; N397-Y399 WeakPolarHBondContact O-CE2 3.48Å; Y399-W418 HydrophobicContact CD1-CB 4.45Å; Y399-V419 CarbonylContact C-O 3.53Å; Y399-V419 VanDerWaalsContact CA-O 3.23Å; Y399-V419 WeakPolarHBondContact CA-O 3.39Å; Y399-Q420 HydrophobicContact CD1-CB 4.13Å; Y399-Q420 HydrophobicContact CE1-CB 4.06Å; Y399-Q420 HydrophobicContact CE1-CG 4.45Å
400T68.4Low61.2Low61 Ų6198 Ų9837%0.37456%0.561SS.*EExtended strand (participates in β ladder)trans-92.9136.4171.2-33.30000110.2V419 D421T400-V419 PolarHBondContact N-O 3.26Å; T400-V419 PolarHBondContact O-N 2.65Å; T400-D421 PolarHBondContact OG1-OD1 3.05Å; T400-D421 PolarHBondContact OG1-OD2 2.96Å
401K78.7Confident62.5Low126 Ų126102.8 Ų102.855%0.54857%0.566SS.*EExtended strand (participates in β ladder)trans-81.6114.1176.5-172.2-175.6176.1-178.40110.4T416 W418K401-T416 HydrophobicContact CD-CG2 3.99Å; K401-T416 VanDerWaalsContact CE-CG2 3.46Å; K401-T416 HydrophobicContact CG-CG2 3.39Å; K401-W418 HydrophobicContact CB-CE3 4.05Å; K401-W418 HydrophobicContact CB-CH2 4.03Å; K401-W418 HydrophobicContact CB-CZ3 3.75Å; K401-W418 HydrophobicContact CD-CH2 4.26Å; K401-W418 HydrophobicContact CD-CZ2 4.39Å; K401-W418 HydrophobicContact CG-CH2 4.21Å; K401-W418 HydrophobicContact CG-CZ2 4.31Å; K401-W418 HydrophobicContact CG-CZ3 4.36Å
402L78.1Confident63.6Low83 Ų83101 Ų10144%0.43556%0.556SS.*EExtended strand (participates in β ladder)trans-110129.8173.4-84.5161.9000111.1T416 K417 V419L402-T416 CarbonylContact O-C 3.55Å; L402-K417 PolarHBondContact N-O 3.41Å; L402-K417 PolarHBondContact O-N 3Å; L402-V419 HydrophobicContact CD1-CB 4Å; L402-V419 HydrophobicContact CD1-CG2 3.55Å
403L78.6Confident64.8Low119 Ų119100.4 Ų100.462%0.62356%0.559SS**EExtended strand (participates in β ladder)trans-91.6112.1171.5-77.5159.1000108.6Y415L403-Y415 WeakPolarHBondContact CA-O 3.32Å
404L76.9Confident66.4Low61 Ų6199 Ų9932%0.31956%0.557SS.*EExtended strand (participates in β ladder)trans-105.9143.3178.6-70.4168.5000110T414 Y415 K417L404-T414 CarbonylContact O-C 3.43Å; L404-T414 VanDerWaalsContact O-CA 3.3Å; L404-T414 WeakPolarHBondContact O-CA 3.42Å; L404-Y415 HydrophobicContact CB-CD1 4.38Å; L404-Y415 HydrophobicContact CB-CE1 3.82Å; L404-Y415 HydrophobicContact CB-CE2 4.2Å; L404-Y415 HydrophobicContact CD1-CE2 4.19Å; L404-Y415 PolarHBondContact N-O 2.91Å; L404-Y415 WeakPolarHBondContact O-CD1 3.1Å; L404-Y415 PolarHBondContact O-N 3.16Å; L404-K417 HydrophobicContact CD1-CB 3.68Å; L404-K417 HydrophobicContact CD1-CD 3.45Å; L404-K417 VanDerWaalsContact CD1-CD 3.45Å; L404-K417 HydrophobicContact CD1-CG 4.19Å; L404-K417 HydrophobicContact CG-CB 4.47Å
405K79.3Confident68.1Low147 Ų14799.3 Ų99.364%0.63955%0.551SS**EExtended strand (participates in β ladder)trans-90.9134.5167.9-76.2-177.7176.4-178.30109P412 T414K405-P412 HydrophobicContact CB-CB 4.41Å; K405-T414 HydrophobicContact CG-CG2 3.73Å
406E73.4Confident69.7Low86 Ų8698.5 Ų98.540%0.40254%0.543SS..  trans-51.9140.4167.5-86.6178.7148.100110.8P412 K413 Y415E406-P412 HydrophobicContact CB-CB 4.35Å; E406-P412 WeakPolarHBondContact O-CB 3.24Å; E406-K413 PolarHBondContact N-O 2.8Å; E406-K413 PolarHBondContact OE2-N 3.39Å; E406-Y415 HydrophobicContact CG-CD1 4.27Å; E406-Y415 HydrophobicContact CG-CE1 4.25Å
407T68.1Low71.2Confident144 Ų14499.1 Ų99.188%0.88354%0.536SS*.SBendtrans-113.3134.7172.924.50000108.1
408G72.7Confident72.1Confident88 Ų88104.6 Ų104.691%0.90755%0.553SS**SBendtrans105.7-5.4176.900000116.1
409T65Low72.9Confident75 Ų75105.4 Ų105.446%0.4655%0.554SS.*SBendtrans-107145.9171.338.80000111E411T409-E411 PolarHBondContact O-N 2.9Å
410S70.9Confident72.9Confident130 Ų130104.7 Ų104.791%0.90956%0.555SS**SBendtrans-63.7-17.6175.249.60000113.3
411E65.9Low72.5Confident163 Ų163105.3 Ų105.376%0.76256%0.556SS**SBendtrans-130.694173.5-71.1-171.7164.600110.5T409 K413T409-E411 PolarHBondContact O-N 2.9Å; E411-K413 PolarHBondContact O-N 3.5Å
412P63.7Low71.7Confident66 Ų66105.9 Ų105.943%0.42957%0.569SS.*PPolyproline II helixtrans-78.7119.6-174.429.7-34.1000111.7K405 E406K405-P412 HydrophobicContact CB-CB 4.41Å; E406-P412 HydrophobicContact CB-CB 4.35Å; E406-P412 WeakPolarHBondContact O-CB 3.24Å
413K69.4Low70.8Confident158 Ų158109 Ų10969%0.68759%0.587SS**PPolyproline II helixtrans-78.3140.7170.8-74.6176.9179.5172.10110.8E406 E411E406-K413 PolarHBondContact N-O 2.8Å; E406-K413 PolarHBondContact OE2-N 3.39Å; E411-K413 PolarHBondContact O-N 3.5Å
414T78.3Confident69.5Low93 Ų93105.6 Ų105.657%0.57158%0.575SS**EExtended strand (participates in β ladder)trans-80.1123.5167.339.80000110.1L404 K405L404-T414 CarbonylContact O-C 3.43Å; L404-T414 VanDerWaalsContact O-CA 3.3Å; L404-T414 WeakPolarHBondContact O-CA 3.42Å; K405-T414 HydrophobicContact CG-CG2 3.73Å
415Y78.3Confident68.1Low112 Ų112109.7 Ų109.744%0.43960%0.603SS.*EExtended strand (participates in β ladder)trans-121.5156.717369.2-83.3000110.9L403 L404 E406 K417L403-Y415 WeakPolarHBondContact CA-O 3.32Å; L404-Y415 HydrophobicContact CB-CD1 4.38Å; L404-Y415 HydrophobicContact CB-CE1 3.82Å; L404-Y415 HydrophobicContact CB-CE2 4.2Å; L404-Y415 HydrophobicContact CD1-CE2 4.19Å; L404-Y415 PolarHBondContact N-O 2.91Å; L404-Y415 WeakPolarHBondContact O-CD1 3.1Å; L404-Y415 PolarHBondContact O-N 3.16Å; E406-Y415 HydrophobicContact CG-CD1 4.27Å; E406-Y415 HydrophobicContact CG-CE1 4.25Å; Y415-K417 HydrophobicContact CE2-CB 4.31Å
416T76.8Confident66.8Low64 Ų64105 Ų10539%0.39360%0.597SS.*EExtended strand (participates in β ladder)trans-92.9123.5179.6-52.50000109.4K401 L402K401-T416 HydrophobicContact CD-CG2 3.99Å; K401-T416 VanDerWaalsContact CE-CG2 3.46Å; K401-T416 HydrophobicContact CG-CG2 3.39Å; L402-T416 CarbonylContact O-C 3.55Å
417K77.1Confident65.6Low110 Ų110104.6 Ų104.648%0.47860%0.603SS.*EExtended strand (participates in β ladder)trans-111125.7169-173-179.7-176.9-179.40109L402 L404 Y415 V419L402-K417 PolarHBondContact N-O 3.41Å; L402-K417 PolarHBondContact O-N 3Å; L404-K417 HydrophobicContact CD1-CB 3.68Å; L404-K417 HydrophobicContact CD1-CD 3.45Å; L404-K417 VanDerWaalsContact CD1-CD 3.45Å; L404-K417 HydrophobicContact CD1-CG 4.19Å; L404-K417 HydrophobicContact CG-CB 4.47Å; Y415-K417 HydrophobicContact CE2-CB 4.31Å; K417-V419 HydrophobicContact CD-CG2 4.23Å; K417-V419 HydrophobicContact CG-CG2 4.15Å
418W72Confident64.6Low162 Ų162103.8 Ų103.861%0.61460%0.598SS**EExtended strand (participates in β ladder)trans-86.1121.6171.2-64.995.3000108.4Y399 K401Y399-W418 HydrophobicContact CD1-CB 4.45Å; K401-W418 HydrophobicContact CB-CE3 4.05Å; K401-W418 HydrophobicContact CB-CH2 4.03Å; K401-W418 HydrophobicContact CB-CZ3 3.75Å; K401-W418 HydrophobicContact CD-CH2 4.26Å; K401-W418 HydrophobicContact CD-CZ2 4.39Å; K401-W418 HydrophobicContact CG-CH2 4.21Å; K401-W418 HydrophobicContact CG-CZ2 4.31Å; K401-W418 HydrophobicContact CG-CZ3 4.36Å
419V73.9Confident63.4Low53 Ų53103.8 Ų103.832%0.32158%0.582SS.*EExtended strand (participates in β ladder)trans-112.8133.3-179.5177.80000108.3Y399 T400 L402 K417 D421Y399-V419 CarbonylContact C-O 3.53Å; Y399-V419 VanDerWaalsContact CA-O 3.23Å; Y399-V419 WeakPolarHBondContact CA-O 3.39Å; T400-V419 PolarHBondContact N-O 3.26Å; T400-V419 PolarHBondContact O-N 2.65Å; L402-V419 HydrophobicContact CD1-CB 4Å; L402-V419 HydrophobicContact CD1-CG2 3.55Å; K417-V419 HydrophobicContact CD-CG2 4.23Å; K417-V419 HydrophobicContact CG-CG2 4.15Å; V419-D421 PolarHBondContact O-N 3.2Å
420Q65.9Low62.5Low98 Ų98105.7 Ų105.746%0.45859%0.594SS.*EExtended strand (participates in β ladder)trans-67.7126.6-179.2-173.4173.4-9.600110.5N397 A398 Y399 V422N397-Q420 HydrophobicContact CB-CG 3.96Å; N397-Q420 VanDerWaalsContact CG-CD 3.49Å; N397-Q420 PolarHBondContact ND2-NE2 3.5Å; N397-Q420 PolarHBondContact OD1-NE2 3.46Å; A398-Q420 CarbonylContact O-C 3.51Å; A398-Q420 WeakPolarHBondContact O-CA 3.46Å; Y399-Q420 HydrophobicContact CD1-CB 4.13Å; Y399-Q420 HydrophobicContact CE1-CB 4.06Å; Y399-Q420 HydrophobicContact CE1-CG 4.45Å; Q420-V422 PolarHBondContact O-N 3.11Å
421D60.2Low61.6Low73 Ų73106.8 Ų106.839%0.3958%0.582SS.*  trans-73.3105.2176.8-118.3-36.8000108.5A398 T400 V419 N423 A424A398-D421 HydrophobicContact CB-CB 3.6Å; A398-D421 PolarHBondContact O-N 2.87Å; T400-D421 PolarHBondContact OG1-OD1 3.05Å; T400-D421 PolarHBondContact OG1-OD2 2.96Å; V419-D421 PolarHBondContact O-N 3.2Å; D421-N423 PolarHBondContact O-N 3.25Å; D421-A424 HydrophobicContact CB-CB 4.34Å
422V60.8Low60.9Low138 Ų138103.5 Ų103.584%0.83657%0.569SS**THydrogen-bonded Turntrans-70.7-11.5-175.4-150.70000112.1Q420Q420-V422 PolarHBondContact O-N 3.11Å
423N59Low60.3Low150 Ų150104.1 Ų104.180%0.80257%0.571SS**THydrogen-bonded Turntrans-105.91.4-175.9-75.7-8.7000114.7D421 T425D421-N423 PolarHBondContact O-N 3.25Å; N423-T425 PolarHBondContact O-N 3.2Å
424A51.5Low59.5Low46 Ų46100 Ų10038%0.3856%0.56SS.*  trans-81.4101.3178.600000111A398 D421 G426A398-A424 HydrophobicContact CB-CB 3.29Å; D421-A424 HydrophobicContact CB-CB 4.34Å; A424-G426 VanDerWaalsContact C-N 3.28Å; A424-G426 PolarHBondContact O-N 3.44Å
425T48.4Very low58.4Low148 Ų148101.3 Ų101.391%0.90857%0.571SS**  trans-67.588.6165.2460000109.1N423N423-T425 PolarHBondContact O-N 3.2Å
426G50.3Low57.3Low49 Ų49102.5 Ų102.551%0.50558%0.58SS.*  trans-73.3144.4-176.100000114.3A424A424-G426 VanDerWaalsContact C-N 3.28Å; A424-G426 PolarHBondContact O-N 3.44Å
427S49.2Very low56.2Low77 Ų77105.2 Ų105.254%0.53859%0.588SS.*  trans-41.8148.1175.855.50000116.8N394N394-S427 PolarHBondContact ND2-OG 2.82Å
428T47.4Very low54.8Low126 Ų126108.9 Ų108.977%0.77361%0.605SS**  trans-55.5126.5169.36.10000112
429P47.7Very low53.8Low88 Ų88105 Ų10557%0.57160%0.599SS**  trans-73131.117829-33.6000111.2W392W392-P429 HydrophobicContact CE3-CB 4.03Å; W392-P429 HydrophobicContact CZ3-CB 3.9Å; W392-P429 HydrophobicContact CZ3-CG 4.39Å
430V46.6Very low53Low116 Ų116106 Ų10670%0.70361%0.606SS**  trans-109123.5172.8-177.50000108.8I432V430-I432 PolarHBondContact O-N 3.22Å
431K51Low52.7Low153 Ų153107.9 Ų107.967%0.66562%0.624SS**  trans-69.7123.5176.2-174.4178.2-178179.10109.4V433K431-V433 PolarHBondContact O-N 3.33Å
432I51.9Low52.6Low93 Ų93105.5 Ų105.548%0.47761%0.614SS.*  trans-67.8104.6169.6-60.5175.1000107.4M393 V430M393-I432 HydrophobicContact CB-CD1 4.44Å; M393-I432 HydrophobicContact CE-CD1 4.33Å; M393-I432 HydrophobicContact CG-CD1 4.19Å; V430-I432 PolarHBondContact O-N 3.22Å
433V50.6Low52.9Low80 Ų80104 Ų10449%0.48561%0.608SS.*  trans-78.2120.9162167.20000106.2K431 Q437K431-V433 PolarHBondContact O-N 3.33Å; V433-Q437 HydrophobicContact CG1-CB 4.08Å
434P52Low53.7Low71 Ų71100.8 Ų100.846%0.46159%0.593SS.*  trans-53.7131.8175.3-19.329000108.4H436 Q437P434-H436 PolarHBondContact O-N 3.46Å; P434-Q437 WeakPolarHBondContact O-CB 3.47Å; P434-Q437 PolarHBondContact O-N 3.22Å
435P55.6Low54.9Low121 Ų121102.6 Ų102.679%0.78660%0.603SS**THydrogen-bonded Turntrans-60.1-9176.322.1-31000112.7
436H55.5Low56.5Low136 Ų136102.6 Ų102.663%0.6359%0.59SS**THydrogen-bonded Turntrans-109.718.9174.6-58.9-48.9000114.6P434 F438 V439P434-H436 PolarHBondContact O-N 3.46Å; H436-F438 PolarHBondContact O-N 3.01Å; H436-V439 HydrophobicContact CB-CB 4.43Å; H436-V439 HydrophobicContact CB-CG2 4.31Å; H436-V439 PolarHBondContact O-N 2.83Å
437Q53.9Low57.8Low122 Ų122104.5 Ų104.557%0.5759%0.586SS**THydrogen-bonded Turntrans-57.5-24.9177.6-173.1171.6-3.100112.7V433 P434V433-Q437 HydrophobicContact CG1-CB 4.08Å; P434-Q437 WeakPolarHBondContact O-CB 3.47Å; P434-Q437 PolarHBondContact O-N 3.22Å
438F46.3Very low59Low187 Ų187106.4 Ų106.482%0.8259%0.585SS**THydrogen-bonded Turntrans-93.33178-61.3-72000114.7H436 P440H436-F438 PolarHBondContact O-N 3.01Å; F438-P440 WeakPolarHBondContact O-CD 3.24Å
439V52.6Low60.6Low81 Ų81106.2 Ų106.249%0.49157%0.573SS.*SBendtrans-99.3109.7174.8-173.60000108.1H436 V441H436-V439 HydrophobicContact CB-CB 4.43Å; H436-V439 HydrophobicContact CB-CG2 4.31Å; H436-V439 PolarHBondContact O-N 2.83Å; V439-V441 PolarHBondContact O-N 3.2Å; V439-V441 VanDerWaalsContact O-N 3.16Å
440P55.5Low62.4Low73 Ų73107.1 Ų107.147%0.47457%0.57SS.*  trans-60.5124171.2-13.726.9000107.8F438 A442 K451F438-P440 WeakPolarHBondContact O-CD 3.24Å; P440-A442 PolarHBondContact O-N 2.81Å; P440-K451 VanDerWaalsContact CB-NZ 3.3Å; P440-K451 HydrophobicContact CG-CD 4.45Å
441V59.8Low63.8Low138 Ų138106 Ų10684%0.83656%0.556SS**  trans-60.9103.4170.6-178.20000106.7V439 P443V439-V441 PolarHBondContact O-N 3.2Å; V439-V441 VanDerWaalsContact O-N 3.16Å; V441-P443 WeakPolarHBondContact O-CD 3.34Å
442A58.2Low65.2Low22 Ų22104.5 Ų104.518%0.18255%0.546CS..  trans-72.6121.7174.400000107.6P440 T444 E447 F448P440-A442 PolarHBondContact O-N 2.81Å; A442-T444 PolarHBondContact O-N 3.33Å; A442-T444 VanDerWaalsContact O-N 3.1Å; A442-E447 HydrophobicContact CB-CB 4.02Å; A442-F448 HydrophobicContact CB-CB 4.06Å
443P68.6Low66.7Low108 Ų108104.2 Ų104.270%0.70155%0.545SS*.SBendtrans-60.3-19-178.420.9-34.3000114.1V441 E447V441-P443 WeakPolarHBondContact O-CD 3.34Å; P443-E447 WeakPolarHBondContact CD-OE2 3.23Å; P443-E447 WeakPolarHBondContact CG-OE2 3.45Å
444T75.1Confident68.3Low82 Ų82106.9 Ų106.950%0.50355%0.554SS.*SBendtrans-138.4147-177-32.90000112.4A442 K446 E447 F448A442-T444 PolarHBondContact O-N 3.33Å; A442-T444 VanDerWaalsContact O-N 3.1Å; T444-K446 PolarHBondContact O-N 2.62Å; T444-K446 VanDerWaalsContact O-N 3.11Å; T444-E447 PolarHBondContact O-N 3.46Å; T444-E447 VanDerWaalsContact O-N 3.13Å; T444-F448 PolarHBondContact O-N 2.96Å
445S76.6Confident69.3Low84 Ų84107.8 Ų107.859%0.58755%0.554SS**Hα-helixtrans-52.8-31.6176.4176.10000113.9K449S445-K449 PolarHBondContact O-N 3.31Å
446K81.1Confident70.5Confident147 Ų147108 Ų10864%0.63954%0.543SS*.Hα-helixtrans-67.9-48.2177.5-169-178.9175-172.90112.3T444 F448 K449 E450T444-K446 PolarHBondContact O-N 2.62Å; T444-K446 VanDerWaalsContact O-N 3.11Å; K446-F448 VanDerWaalsContact C-N 3.3Å; K446-F448 PolarHBondContact O-N 3.43Å; K446-K449 WeakPolarHBondContact O-CB 3.3Å; K446-K449 PolarHBondContact O-N 3.04Å; K446-K449 VanDerWaalsContact O-N 3.13Å; K446-E450 PolarHBondContact O-N 2.91Å; K446-E450 VanDerWaalsContact O-N 3.08Å
447E79.2Confident71.7Confident90 Ų90105.7 Ų105.742%0.42153%0.533SS..Hα-helixtrans-64.6-34.7177.9-72.3-174.1175.900112.2A442 P443 T444 K449 E450 K451A442-E447 HydrophobicContact CB-CB 4.02Å; P443-E447 WeakPolarHBondContact CD-OE2 3.23Å; P443-E447 WeakPolarHBondContact CG-OE2 3.45Å; T444-E447 PolarHBondContact O-N 3.46Å; T444-E447 VanDerWaalsContact O-N 3.13Å; E447-K449 VanDerWaalsContact C-N 3.34Å; E447-K449 PolarHBondContact O-N 3.32Å; E447-E450 PolarHBondContact O-N 3.04Å; E447-K451 PolarHBondContact O-N 2.95Å
448F74.7Confident72.7Confident116 Ų116101.2 Ų101.251%0.50952%0.517SS..Hα-helixtrans-60.3-44172.6177.6-97.4000111.7A442 T444 K446 R452A442-F448 HydrophobicContact CB-CB 4.06Å; T444-F448 PolarHBondContact O-N 2.96Å; K446-F448 VanDerWaalsContact C-N 3.3Å; K446-F448 PolarHBondContact O-N 3.43Å; F448-R452 VanDerWaalsContact O-CB 3.28Å; F448-R452 WeakPolarHBondContact O-CB 3.5Å; F448-R452 PolarHBondContact O-N 2.92Å
449K80.9Confident73.8Confident122 Ų122100.9 Ų100.953%0.5351%0.51SS..Hα-helixtrans-64.2-41.1177.5-74.6179.2-178.8178.60111.9S445 K446 E447 R452 N453S445-K449 PolarHBondContact O-N 3.31Å; K446-K449 WeakPolarHBondContact O-CB 3.3Å; K446-K449 PolarHBondContact O-N 3.04Å; K446-K449 VanDerWaalsContact O-N 3.13Å; E447-K449 VanDerWaalsContact C-N 3.34Å; E447-K449 PolarHBondContact O-N 3.32Å; K449-R452 PolarHBondContact O-N 3.44Å; K449-N453 VanDerWaalsContact O-CG 3.28Å; K449-N453 PolarHBondContact O-N 3.25Å; K449-N453 PolarHBondContact O-OD1 3.18Å
450E83.6Confident75Confident107 Ų107106.2 Ų106.250%0.552%0.521SS..Hα-helixtrans-64-48.8176.4-75.7171.1-173.300111.6K446 E447 R452 N453 M454K446-E450 PolarHBondContact O-N 2.91Å; K446-E450 VanDerWaalsContact O-N 3.08Å; E447-E450 PolarHBondContact O-N 3.04Å; E450-R452 VanDerWaalsContact C-N 3.33Å; E450-R452 PolarHBondContact O-N 2.96Å; E450-N453 PolarHBondContact O-N 2.88Å; E450-N453 VanDerWaalsContact O-N 3.14Å; E450-M454 PolarHBondContact O-N 2.83Å
451K77.5Confident76Confident92 Ų92107.9 Ų107.940%0.453%0.525SS..Hα-helixtrans-60.5-39.8175.1-101.2178.2177.2158.70112.8P440 E447 N453 M454 L455P440-K451 VanDerWaalsContact CB-NZ 3.3Å; P440-K451 HydrophobicContact CG-CD 4.45Å; E447-K451 PolarHBondContact O-N 2.95Å; K451-N453 VanDerWaalsContact C-N 3.34Å; K451-N453 PolarHBondContact O-N 2.88Å; K451-M454 PolarHBondContact O-N 3.18Å; K451-L455 PolarHBondContact O-N 3.07Å
452R79.3Confident76.3Confident123 Ų123108.4 Ų108.446%0.46452%0.523SS..Hα-helixtrans-61.7-42.1175.4-172-166.371.9150.42.3111.6F448 K449 E450 L455 K456F448-R452 VanDerWaalsContact O-CB 3.28Å; F448-R452 WeakPolarHBondContact O-CB 3.5Å; F448-R452 PolarHBondContact O-N 2.92Å; K449-R452 PolarHBondContact O-N 3.44Å; E450-R452 VanDerWaalsContact C-N 3.33Å; E450-R452 PolarHBondContact O-N 2.96Å; R452-L455 PolarHBondContact O-N 3.37Å; R452-K456 PolarHBondContact O-N 2.81Å; R452-K456 VanDerWaalsContact O-N 3.11Å
453N84.7Confident76.4Confident86 Ų86112.2 Ų112.246%0.4655%0.545SS..Hα-helixtrans-68.9-40.5178.2-70.7-6.3000111.3K449 E450 K451 L455 K456 E457K449-N453 VanDerWaalsContact O-CG 3.28Å; K449-N453 PolarHBondContact O-N 3.25Å; K449-N453 PolarHBondContact O-OD1 3.18Å; E450-N453 PolarHBondContact O-N 2.88Å; E450-N453 VanDerWaalsContact O-N 3.14Å; K451-N453 VanDerWaalsContact C-N 3.34Å; K451-N453 PolarHBondContact O-N 2.88Å; N453-L455 PolarHBondContact O-N 3.31Å; N453-K456 PolarHBondContact O-N 3.2Å; N453-E457 PolarHBondContact O-N 3.24Å
454M82.6Confident75.9Confident137 Ų137112.4 Ų112.468%0.67554%0.538SS*.Hα-helixtrans-59.8-43.8171.7-80.9177.751.800112.8E450 K451 K456 E457 A458E450-M454 PolarHBondContact O-N 2.83Å; K451-M454 PolarHBondContact O-N 3.18Å; M454-K456 VanDerWaalsContact C-N 3.29Å; M454-K456 PolarHBondContact O-N 3.31Å; M454-E457 PolarHBondContact O-N 2.88Å; M454-A458 WeakPolarHBondContact O-CB 3.39Å; M454-A458 PolarHBondContact O-N 3.16Å
455L74.7Confident75.3Confident89 Ų89112.3 Ų112.347%0.46654%0.541SS..Hα-helixtrans-64.7-33.7177.9-115.3115.1000112.3K451 R452 N453 R459K451-L455 PolarHBondContact O-N 3.07Å; R452-L455 PolarHBondContact O-N 3.37Å; N453-L455 PolarHBondContact O-N 3.31Å; L455-R459 WeakPolarHBondContact O-CG 3.35Å; L455-R459 PolarHBondContact O-N 3.4Å
456K80.2Confident74.3Confident125 Ų125113.7 Ų113.754%0.54356%0.558SS.*Hα-helixtrans-67-41.7173-78.3-173.2173.3-166.10111.7R452 N453 M454 R459 R460R452-K456 PolarHBondContact O-N 2.81Å; R452-K456 VanDerWaalsContact O-N 3.11Å; N453-K456 PolarHBondContact O-N 3.2Å; M454-K456 VanDerWaalsContact C-N 3.29Å; M454-K456 PolarHBondContact O-N 3.31Å; K456-R459 PolarHBondContact O-N 2.98Å; K456-R460 WeakPolarHBondContact O-CB 3.22Å; K456-R460 PolarHBondContact O-N 3.01Å
457E81.4Confident72.9Confident88 Ų88108.8 Ų108.841%0.41155%0.548SS..Hα-helixtrans-68.3-38.7177.1-162.661.7-159.800111.6N453 M454 R459 R460 I461N453-E457 PolarHBondContact O-N 3.24Å; M454-E457 PolarHBondContact O-N 2.88Å; E457-R459 PolarHBondContact O-N 2.77Å; E457-R460 WeakPolarHBondContact O-CA 3.36Å; E457-R460 VanDerWaalsContact O-CB 3.31Å; E457-R460 WeakPolarHBondContact O-CB 3.44Å; E457-R460 PolarHBondContact O-N 3.26Å; E457-R460 IonicContact OE1-NH1 3.11Å; E457-R460 IonicContact OE2-NH1 3.72Å; E457-I461 HydrophobicContact CG-CD1 4.1Å; E457-I461 WeakPolarHBondContact O-CG1 3.25Å; E457-I461 PolarHBondContact O-N 3.08Å
458A74.9Confident71.4Confident29 Ų29111 Ų11124%0.2457%0.571CS.*Hα-helixtrans-63.2-38.9173.900000112.7M454 R460 I461 D462 T463 I464M454-A458 WeakPolarHBondContact O-CB 3.39Å; M454-A458 PolarHBondContact O-N 3.16Å; A458-R460 VanDerWaalsContact C-N 3.31Å; A458-I461 PolarHBondContact O-N 2.9Å; A458-D462 PolarHBondContact O-N 3.41Å; A458-T463 PolarHBondContact O-OG1 3.38Å; A458-I464 HydrophobicContact CB-CD1 4.2Å
459R69.7Low70.1Confident180 Ų180112.9 Ų112.968%0.67958%0.581SS**Hα-helixtrans-67.1-30.7171-73.2179.6-166.3-179.23112.6L455 K456 E457 D462L455-R459 WeakPolarHBondContact O-CG 3.35Å; L455-R459 PolarHBondContact O-N 3.4Å; K456-R459 PolarHBondContact O-N 2.98Å; E457-R459 PolarHBondContact O-N 2.77Å; R459-D462 PolarHBondContact O-N 3.12Å
460R76Confident68.4Low193 Ų193111.1 Ų111.173%0.72858%0.584SS**Hα-helixtrans-70.2-32175.8-172-172.5175.3-174.3-0.7112.3K456 E457 A458 D462K456-R460 WeakPolarHBondContact O-CB 3.22Å; K456-R460 PolarHBondContact O-N 3.01Å; E457-R460 WeakPolarHBondContact O-CA 3.36Å; E457-R460 VanDerWaalsContact O-CB 3.31Å; E457-R460 WeakPolarHBondContact O-CB 3.44Å; E457-R460 PolarHBondContact O-N 3.26Å; E457-R460 IonicContact OE1-NH1 3.11Å; E457-R460 IonicContact OE2-NH1 3.72Å; A458-R460 VanDerWaalsContact C-N 3.31Å; R460-D462 VanDerWaalsContact C-N 3.3Å
461I77.4Confident67Low108 Ų108114.8 Ų114.855%0.55460%0.599SS**THydrogen-bonded Turntrans-86.81.1179.6-57.3163.1000111.8E457 A458 T463E457-I461 HydrophobicContact CG-CD1 4.1Å; E457-I461 WeakPolarHBondContact O-CG1 3.25Å; E457-I461 PolarHBondContact O-N 3.08Å; A458-I461 PolarHBondContact O-N 2.9Å; I461-T463 VanDerWaalsContact C-N 3.28Å; I461-T463 HydrophobicContact CG2-CG2 4.09Å; I461-T463 PolarHBondContact O-N 3.45Å
462D65.1Low65.8Low148 Ų148116.5 Ų116.579%0.79162%0.617SS**THydrogen-bonded Turntrans58.630.2172.9-130.512.4000115.4A458 R459 R460A458-D462 PolarHBondContact O-N 3.41Å; R459-D462 PolarHBondContact O-N 3.12Å; R460-D462 VanDerWaalsContact C-N 3.3Å
463T61.7Low64.4Low103 Ų103118 Ų11863%0.63263%0.633SS**  trans-89.6-1.5-17642.50000114.8A458 I461A458-T463 PolarHBondContact O-OG1 3.38Å; I461-T463 VanDerWaalsContact C-N 3.28Å; I461-T463 HydrophobicContact CG2-CG2 4.09Å; I461-T463 PolarHBondContact O-N 3.45Å
464I58.2Low62.6Low111 Ų111119.3 Ų119.357%0.56964%0.64SS**  trans-122.1104.3-174-58.5175.5000110A458A458-I464 HydrophobicContact CB-CD1 4.2Å
465S62Low61.2Low80 Ų80118.2 Ų118.256%0.55964%0.643SS**  trans-73.9140.3168.7166.90000111.2G467S465-G467 PolarHBondContact O-N 3.3Å
466A54.7Low60.2Low114 Ų114118 Ų11894%0.94265%0.645SS**SBendtrans-85.621.4-167.900000116.2
467G52.3Low59Low43 Ų43114.5 Ų114.544%0.44364%0.639SS.*SBendtrans-173.1165.4176.600000115S465 Q469S465-G467 PolarHBondContact O-N 3.3Å; G467-Q469 PolarHBondContact O-N 3.43Å
468P47.6Very low57.6Low137 Ų137120.4 Ų120.489%0.8966%0.658SS**  trans-62.1109.2171.1-4.618.6000107.9S470P468-S470 PolarHBondContact O-N 2.88Å; P468-S470 VanDerWaalsContact O-N 3.09Å
469Q48Very low56.8Low156 Ų156125.9 Ų125.973%0.72968%0.678SS**  trans-65111.4170.5-77.6177.3-2600107.8G467 K471G467-Q469 PolarHBondContact O-N 3.43Å; Q469-K471 PolarHBondContact O-N 3Å
470S44.8Very low56.4Low85 Ų85121.1 Ų121.159%0.59467%0.667SS**  trans-64106.6171.1550000108.7P468 V472P468-S470 PolarHBondContact O-N 2.88Å; P468-S470 VanDerWaalsContact O-N 3.09Å; S470-V472 PolarHBondContact O-N 3.41Å
471K53.3Low55.5Low184 Ų184114.8 Ų114.880%0.865%0.646SS**THydrogen-bonded Turntrans-65.511.6171.1-79-169.5172.1-171.40114.5Q469Q469-K471 PolarHBondContact O-N 3Å
472V53.1Low54.5Low128 Ų128115.7 Ų115.778%0.77665%0.648SS**THydrogen-bonded Turntrans-85.8-12.1-172.6-1770000111.9S470S470-V472 PolarHBondContact O-N 3.41Å
473L49.4Very low54.2Low153 Ų153115.1 Ų115.180%0.80164%0.639SS**SBendtrans-138.420.1-178.3-66.4173.7000113.5P475L473-P475 WeakPolarHBondContact O-CD 3.12Å; L473-P475 VanDerWaalsContact O-N 3.16Å
474D48Very low53.9Low114 Ų114115 Ų11561%0.6163%0.633SS**PPolyproline II helixtrans-64.4116.6173.1-99-23.7000108.8V476D474-V476 PolarHBondContact O-N 2.79Å
475P52Low53.6Low114 Ų114117.3 Ų117.374%0.7464%0.639SS**PPolyproline II helixtrans-65.6120.6171.829.6-33.3000107L473 A477L473-P475 WeakPolarHBondContact O-CD 3.12Å; L473-P475 VanDerWaalsContact O-N 3.16Å; P475-A477 PolarHBondContact O-N 3.15Å
476V55.2Low53Low86 Ų86121.1 Ų121.152%0.52165%0.648SS.*PPolyproline II helixtrans-50119.2172-175.90000107.6D474 W478 D480 I481D474-V476 PolarHBondContact O-N 2.79Å; V476-W478 PolarHBondContact O-N 3.39Å; V476-D480 HydrophobicContact CG1-CB 3.81Å; V476-I481 HydrophobicContact CB-CD1 4.42Å; V476-I481 HydrophobicContact CB-CG1 4.13Å; V476-I481 HydrophobicContact CG1-CD1 4.39Å; V476-I481 HydrophobicContact CG1-CG1 3.59Å
477A54.6Low52.8Low50 Ų50119 Ų11941%0.41363%0.631SS.*PPolyproline II helixtrans-59.6140.3178.300000108.8P475 Q479 D480 I481P475-A477 PolarHBondContact O-N 3.15Å; A477-Q479 PolarHBondContact O-N 3.31Å; A477-D480 WeakPolarHBondContact O-CA 3.28Å; A477-D480 WeakPolarHBondContact O-CB 3.49Å; A477-D480 PolarHBondContact O-N 3.36Å; A477-I481 PolarHBondContact O-N 3.44Å; A477-I481 VanDerWaalsContact O-N 3.13Å
478W50.7Low52.2Low213 Ų213122.9 Ų122.981%0.80764%0.642SS**Hα-helixtrans-52.6-29.7179.7-72.793.7000113.4V476 I481 E482V476-W478 PolarHBondContact O-N 3.39Å; W478-I481 HydrophobicContact CE3-CD1 4.38Å; W478-I481 WeakPolarHBondContact O-CB 3.18Å; W478-I481 PolarHBondContact O-N 3.4Å; W478-E482 PolarHBondContact O-N 3.3Å
479Q59.4Low52Low143 Ų143124.5 Ų124.567%0.66864%0.639SS**Hα-helixtrans-70.1-28.6175-67.4-177.6-3.600113.6A477 K483A477-Q479 PolarHBondContact O-N 3.31Å; Q479-K483 WeakPolarHBondContact O-CG 3.34Å; Q479-K483 PolarHBondContact O-N 3.06Å; Q479-K483 VanDerWaalsContact O-N 3.15Å
480D61.6Low51.8Low80 Ų80122.9 Ų122.943%0.42864%0.64SS.*Hα-helixtrans-79.3-30.4172.8-64.2-33.8000110.7V476 A477 K483 I484V476-D480 HydrophobicContact CG1-CB 3.81Å; A477-D480 WeakPolarHBondContact O-CA 3.28Å; A477-D480 WeakPolarHBondContact O-CB 3.49Å; A477-D480 PolarHBondContact O-N 3.36Å; D480-K483 PolarHBondContact O-N 3.04Å; D480-I484 WeakPolarHBondContact O-CB 3.29Å; D480-I484 WeakPolarHBondContact O-CD1 3.31Å; D480-I484 WeakPolarHBondContact O-CG1 3.33Å; D480-I484 PolarHBondContact O-N 3.1Å
481I56.3Low51.3Low60 Ų60122.8 Ų122.831%0.30865%0.653SS.*Hα-helixtrans-65.7-38.6170.7-57.7177.2000111.1V476 A477 W478 K485V476-I481 HydrophobicContact CB-CD1 4.42Å; V476-I481 HydrophobicContact CB-CG1 4.13Å; V476-I481 HydrophobicContact CG1-CD1 4.39Å; V476-I481 HydrophobicContact CG1-CG1 3.59Å; A477-I481 PolarHBondContact O-N 3.44Å; A477-I481 VanDerWaalsContact O-N 3.13Å; W478-I481 HydrophobicContact CE3-CD1 4.38Å; W478-I481 WeakPolarHBondContact O-CB 3.18Å; W478-I481 PolarHBondContact O-N 3.4Å; I481-K485 WeakPolarHBondContact O-CB 3.1Å; I481-K485 WeakPolarHBondContact O-CG 3.48Å; I481-K485 PolarHBondContact O-N 3.38Å
482E57Low50.5Low127 Ų127119.5 Ų119.559%0.59365%0.653SS**Hα-helixtrans-69.5-40.4174.6-81.5178.8159.600112.6W478 I484 K485 E486W478-E482 PolarHBondContact O-N 3.3Å; E482-I484 VanDerWaalsContact C-N 3.32Å; E482-I484 PolarHBondContact O-N 3.4Å; E482-K485 WeakPolarHBondContact O-CB 3.14Å; E482-K485 PolarHBondContact O-N 2.93Å; E482-E486 PolarHBondContact O-N 3.36Å
483K58.1Low49.6Very low137 Ų137122.4 Ų122.460%0.59666%0.658SS**Hα-helixtrans-67.1-32.1175.5-75.2175.3-177.9172.40113.2Q479 D480 A487Q479-K483 WeakPolarHBondContact O-CG 3.34Å; Q479-K483 PolarHBondContact O-N 3.06Å; Q479-K483 VanDerWaalsContact O-N 3.15Å; D480-K483 PolarHBondContact O-N 3.04Å; K483-A487 WeakPolarHBondContact O-CB 3.4Å; K483-A487 PolarHBondContact O-N 3.08Å
484I54.7Low49.2Very low100 Ų100122.9 Ų122.951%0.51366%0.661SS.*Hα-helixtrans-73.2-36.9173.2-66.7164.1000110.2D480 E482 E486 A487 D488D480-I484 WeakPolarHBondContact O-CB 3.29Å; D480-I484 WeakPolarHBondContact O-CD1 3.31Å; D480-I484 WeakPolarHBondContact O-CG1 3.33Å; D480-I484 PolarHBondContact O-N 3.1Å; E482-I484 VanDerWaalsContact C-N 3.32Å; E482-I484 PolarHBondContact O-N 3.4Å; I484-E486 VanDerWaalsContact C-N 3.32Å; I484-E486 PolarHBondContact O-N 3.2Å; I484-A487 PolarHBondContact O-N 3.45Å; I484-D488 PolarHBondContact O-N 2.91Å
485K52Low48.9Very low159 Ų159126 Ų12669%0.69167%0.67SS**Hα-helixtrans-63.6-31.9172.4-85-179174-179.20113.9I481 E482I481-K485 WeakPolarHBondContact O-CB 3.1Å; I481-K485 WeakPolarHBondContact O-CG 3.48Å; I481-K485 PolarHBondContact O-N 3.38Å; E482-K485 WeakPolarHBondContact O-CB 3.14Å; E482-K485 PolarHBondContact O-N 2.93Å
486E51.3Low48.6Very low160 Ų160126.2 Ų126.275%0.74867%0.668SS**Hα-helixtrans-81-20.7176.1-73.2-174.3164.300113.1E482 I484E482-E486 PolarHBondContact O-N 3.36Å; I484-E486 VanDerWaalsContact C-N 3.32Å; I484-E486 PolarHBondContact O-N 3.2Å
487A50Low48Very low71 Ų71127.3 Ų127.359%0.58767%0.669SS**Hα-helixtrans-83.1-12.8178.800000114.1K483 I484 M489K483-A487 WeakPolarHBondContact O-CB 3.4Å; K483-A487 PolarHBondContact O-N 3.08Å; I484-A487 PolarHBondContact O-N 3.45Å; A487-M489 VanDerWaalsContact C-N 3.34Å; A487-M489 PolarHBondContact O-N 3.48Å
488D39.9Very low47.6Very low124 Ų124130.3 Ų130.366%0.66368%0.677SS**  trans-90.323.2-172.2-99-9.3000115.4I484 T490I484-D488 PolarHBondContact O-N 2.91Å; D488-T490 PolarHBondContact O-N 3.01Å
489M42.2Very low47.2Very low171 Ų171123.3 Ų123.384%0.84267%0.671SS**  trans-78.211.9175.5-79.1-67.6-68.100114.9A487A487-M489 VanDerWaalsContact C-N 3.34Å; A487-M489 PolarHBondContact O-N 3.48Å
490T43.9Very low46.5Very low121 Ų121119.3 Ų119.374%0.74266%0.662SS**SBendtrans-136114.3173.851.60000109.5D488D488-T490 PolarHBondContact O-N 3.01Å
491G34.1Very low45.7Very low83 Ų83121.1 Ų121.186%0.85669%0.688SS**  trans-73.3144.7-156.800000115.9
492S36.1Very low45.3Very low115 Ų115122.6 Ų122.680%0.80470%0.704SS**  trans-172.1145.7131.4179.80000107.1D494S492-D494 PolarHBondContact O-N 3.49Å
493E34.3Very low45.1Very low189 Ų189126.6 Ų126.688%0.88372%0.72SS**  trans-55.5111-170.1-60.3170.8159.500114.3
494D41.1Very low44.9Very low163 Ų163122.1 Ų122.187%0.87271%0.712SS**  trans-125.9106.9166.7-95.7-23.5000111.5S492S492-D494 PolarHBondContact O-N 3.49Å
495K42.8Very low45Very low181 Ų181125.7 Ų125.779%0.78773%0.731SS**  trans-80120.8174-86.1176.9174.3174.30110.1M497K495-M497 PolarHBondContact O-N 3.13Å
496V45.2Very low45.4Very low118 Ų118121 Ų12172%0.71571%0.712SS**  trans-69.5114.1170.6-178.10000110.2
497M42.8Very low46Very low108 Ų108119.7 Ų119.753%0.53271%0.706SS.*  trans-91.8121.4177.8-82.4-88.2-74.600111.1K495 Q515K495-M497 PolarHBondContact O-N 3.13Å; M497-Q515 HydrophobicContact CE-CB 4.25Å
498I45.7Very low46.8Very low113 Ų113126.6 Ų126.658%0.57972%0.717SS**  trans-103.6109.8173.9-58.9174.1000108.3
499G43.5Very low48.2Very low66 Ų66127.8 Ų127.868%0.6872%0.719SS**  trans-87.7112.6178.200000112.1
500A43.8Very low49.3Very low59 Ų59124.4 Ų124.449%0.48870%0.699SS.*  trans-100.5127.617100000110.6S502A500-S502 VanDerWaalsContact C-N 3.3Å; A500-S502 PolarHBondContact O-N 2.92Å
501A45.8Very low50.1Low118 Ų118126.3 Ų126.398%0.97569%0.693SS**SBendtrans-80.9-1-17700000114.6
502S48.2Very low51.5Low91 Ų91129.4 Ų129.464%0.63669%0.685SS**SBendtrans-144.2153.6-178.370.30000111.3A500 G504A500-S502 VanDerWaalsContact C-N 3.3Å; A500-S502 PolarHBondContact O-N 2.92Å; S502-G504 PolarHBondContact O-N 3.14Å
503K51.2Low52.6Low212 Ų212127.3 Ų127.392%0.92267%0.665SS**  trans-71.731.7-179-157.3-179.5179.9179.30113.1
504G54.6Low53.5Low43 Ų43120.1 Ų120.144%0.44364%0.637SS.*  trans-67.6156.5177.900000112.2S502 I506S502-G504 PolarHBondContact O-N 3.14Å; G504-I506 PolarHBondContact O-N 3.03Å
505I56.1Low54.2Low175 Ų175118.6 Ų118.690%0.89763%0.625SS**  trans-57.1108.1-174.1-60.8168.8000110.2
506I60.2Low54.7Low59 Ų59116.5 Ų116.530%0.30362%0.621SS.*  trans-86.7124.1170.4-52179.3000107.7G504 F510 R511 A514G504-I506 PolarHBondContact O-N 3.03Å; I506-F510 HydrophobicContact CG2-CB 3.88Å; I506-R511 HydrophobicContact CB-CG 4.17Å; I506-R511 HydrophobicContact CG2-CG 4.07Å; I506-A514 HydrophobicContact CD1-CB 3.5Å; I506-A514 VanDerWaalsContact CD1-CB 3.5Å
507E64.2Low54.7Low134 Ų134119.6 Ų119.663%0.62662%0.621SS**  trans-50.4143171-81.1-177.5170.100110.5E509 F510E507-E509 PolarHBondContact O-N 3.12Å; E507-F510 HydrophobicContact CB-CD2 4.06Å; E507-F510 PolarHBondContact O-N 3.11Å
508R67.1Low55.2Low216 Ų216123.3 Ų123.382%0.81564%0.637SS**THydrogen-bonded Turntrans-56.6-25.7-166.3-146.9176.3-173.2179.41.2113.2H512R508-H512 PolarHBondContact O-CE1 2.68Å
509E69.7Low55.2Low149 Ų149126.7 Ų126.770%0.69665%0.651SS**THydrogen-bonded Turntrans-81.9-23-175.4-45.6-175-163.200113.3E507 H512E507-E509 PolarHBondContact O-N 3.12Å; E509-H512 PolarHBondContact O-NE2 3.12Å
510F64.4Low55.5Low99 Ų99131.3 Ų131.343%0.43466%0.659SS.*THydrogen-bonded Turntrans-103.8-3.4-177-63.4-77.6000113.8I506 E507 H512 N513I506-F510 HydrophobicContact CG2-CB 3.88Å; E507-F510 HydrophobicContact CB-CD2 4.06Å; E507-F510 PolarHBondContact O-N 3.11Å; F510-H512 PolarHBondContact O-N 3.32Å; F510-H512 VanDerWaalsContact O-N 3.1Å; F510-N513 PolarHBondContact O-N 3.29Å
511R60.9Low55.2Low162 Ų162139 Ų13961%0.61168%0.677SS**G310 helixtrans-59-24.6-179.6-75.5-175176.6-162.6-1.9113.9I506 N513I506-R511 HydrophobicContact CB-CG 4.17Å; I506-R511 HydrophobicContact CG2-CG 4.07Å; R511-N513 VanDerWaalsContact C-N 3.29Å
512H64.2Low55.4Low148 Ų148142.5 Ų142.569%0.68567%0.673SS**G310 helixtrans-77.9-19.8-174.7-25.5-32.9000111.8R508 E509 F510R508-H512 PolarHBondContact O-CE1 2.68Å; E509-H512 PolarHBondContact O-NE2 3.12Å; F510-H512 PolarHBondContact O-N 3.32Å; F510-H512 VanDerWaalsContact O-N 3.1Å
513N59.2Low55.5Low70 Ų70143.2 Ų143.237%0.37468%0.676SS.*G310 helixtrans-107.24.5-176-65.6-12.6000113F510 R511F510-N513 PolarHBondContact O-N 3.29Å; R511-N513 VanDerWaalsContact C-N 3.29Å
514A52.9Low55.7Low38 Ų38137.6 Ų137.631%0.31466%0.656SS.*  trans-95.6112.4-177.200000111.2I506I506-A514 HydrophobicContact CD1-CB 3.5Å; I506-A514 VanDerWaalsContact CD1-CB 3.5Å
515Q55.9Low55.8Low131 Ų131140.4 Ų140.461%0.61267%0.666SS**  trans-96.2130.9163.6-95-177.7-8.300110.4M497M497-Q515 HydrophobicContact CE-CB 4.25Å
516I52.6Low55.8Low137 Ų137139.2 Ų139.270%0.70366%0.655SS**  trans-87.4114.2175.2-58.8172.2000107.6Q518I516-Q518 PolarHBondContact O-N 3.43Å
517Y46.9Very low56.1Low184 Ų184140.4 Ų140.472%0.72267%0.668SS**  trans-68.3114.1171.5-82.1-90.6000110
518Q51.6Low56.4Low185 Ų185138.5 Ų138.586%0.86467%0.67SS**  trans-883.2-176.8-94.8-179.5-27.300115.3I516I516-Q518 PolarHBondContact O-N 3.43Å
519Q47Very low56.8Low184 Ų184133.1 Ų133.186%0.8665%0.654SS**  trans-117.518.5-157.3-82-173.5-22.700119.1
520L49.6Very low57.4Low164 Ų164129.4 Ų129.486%0.85964%0.641SS**SBendtrans-102.91.6-178.3-91.9156000117
521Y37.9Very low58.4Low220 Ų220130.9 Ų130.986%0.86365%0.654SS**SBendtrans-116127.3173.7-74.2-86.8000110.1
522Q49.9Very low59.7Low191 Ų191130.7 Ų130.789%0.89366%0.66SS**PPolyproline II helixtrans-51.6125.8161.8-85.5-179.8-4500107.3N524Q522-N524 PolarHBondContact O-N 3.38Å
523P50.4Low60.7Low107 Ų107127.1 Ų127.170%0.69565%0.646SS**PPolyproline II helixtrans-55.6134.2179.48.3-10.9000108.4P525P523-P525 VanDerWaalsContact O-N 3.12Å
524N53.6Low61.9Low94 Ų94127.7 Ų127.750%0.50365%0.648SS.*PPolyproline II helixtrans-49121.9172.9174.64.2000107.7Q522 F526 S527Q522-N524 PolarHBondContact O-N 3.38Å; N524-F526 PolarHBondContact O-N 3.27Å; N524-F526 WeakPolarHBondContact OD1-CB 3.34Å; N524-F526 VanDerWaalsContact OD1-CD2 3.25Å; N524-F526 WeakPolarHBondContact OD1-CD2 3.45Å; N524-F526 PolarHBondContact OD1-N 2.74Å; N524-S527 WeakPolarHBondContact O-CB 3.49Å; N524-S527 PolarHBondContact O-N 3.06Å; N524-S527 PolarHBondContact O-OG 2.99Å
525P56.7Low63.7Low101 Ų101133.1 Ų133.166%0.65666%0.664SS**THydrogen-bonded Turntrans-59.1-19.5-178.321.9-31.9000112.5P523P523-P525 VanDerWaalsContact O-N 3.12Å
526F57.3Low65.3Low150 Ų150129.7 Ų129.766%0.65866%0.659SS**THydrogen-bonded Turntrans-89.74175.3-51.7-69.3000114.2N524 S528N524-F526 PolarHBondContact O-N 3.27Å; N524-F526 WeakPolarHBondContact OD1-CB 3.34Å; N524-F526 VanDerWaalsContact OD1-CD2 3.25Å; N524-F526 WeakPolarHBondContact OD1-CD2 3.45Å; N524-F526 PolarHBondContact OD1-N 2.74Å; F526-S528 PolarHBondContact O-N 3.1Å
527S66.2Low66.9Low85 Ų85130.9 Ų130.959%0.59466%0.655SS**THydrogen-bonded Turntrans-76.5-3179.671.70000114.2N524N524-S527 WeakPolarHBondContact O-CB 3.49Å; N524-S527 PolarHBondContact O-N 3.06Å; N524-S527 PolarHBondContact O-OG 2.99Å
528S70.4Confident68.9Low94 Ų94127 Ų12766%0.65765%0.646SS**THydrogen-bonded Turntrans-111.3-2-178.156.20000114.4F526 T530F526-S528 PolarHBondContact O-N 3.1Å; S528-T530 PolarHBondContact O-N 3.29Å
529E75.2Confident70.8Confident103 Ų103125.6 Ų125.648%0.48164%0.638SS.*  trans-73.6118.7177.3-66.1-87.6154.100109.7
530T83.7Confident72.8Confident70 Ų70119.4 Ų119.443%0.42962%0.618SS.*  trans-80.8161.217365.20000111S528 E532 D533 I534S528-T530 PolarHBondContact O-N 3.29Å; T530-E532 PolarHBondContact O-N 3.37Å; T530-E532 VanDerWaalsContact O-N 3.1Å; T530-D533 WeakPolarHBondContact CB-OD2 3.46Å; T530-D533 PolarHBondContact N-OD2 3.49Å; T530-D533 WeakPolarHBondContact O-CB 3.34Å; T530-D533 PolarHBondContact O-N 3.41Å; T530-D533 PolarHBondContact OG1-N 2.57Å; T530-D533 PolarHBondContact OG1-OD2 2.84Å; T530-I534 PolarHBondContact O-N 3.03Å; T530-I534 VanDerWaalsContact O-N 3.15Å
531D85Confident74.7Confident130 Ų130114 Ų11470%0.69559%0.591SS**Hα-helixtrans-57.7-24.6172.9-77.2-18.1000112.7K535D531-K535 PolarHBondContact O-N 2.92Å
532E87.1Confident77.2Confident158 Ų158110.4 Ų110.474%0.73858%0.583SS**Hα-helixtrans-72.2-40.2174.2-68.4-177.116100111.8T530 K535 A536T530-E532 PolarHBondContact O-N 3.37Å; T530-E532 VanDerWaalsContact O-N 3.1Å; E532-K535 PolarHBondContact O-N 2.7Å; E532-A536 WeakPolarHBondContact O-CB 3.49Å; E532-A536 PolarHBondContact O-N 3.31Å
533D86.2Confident79Confident73 Ų73110.3 Ų110.339%0.3958%0.579SS.*Hα-helixtrans-63.4-42.7176.1-60.6-46.8000111.1T530 K535 A536 Y537T530-D533 WeakPolarHBondContact CB-OD2 3.46Å; T530-D533 PolarHBondContact N-OD2 3.49Å; T530-D533 WeakPolarHBondContact O-CB 3.34Å; T530-D533 PolarHBondContact O-N 3.41Å; T530-D533 PolarHBondContact OG1-N 2.57Å; T530-D533 PolarHBondContact OG1-OD2 2.84Å; D533-K535 PolarHBondContact O-N 3Å; D533-A536 PolarHBondContact O-N 3.06Å; D533-Y537 WeakPolarHBondContact O-CB 3.16Å; D533-Y537 PolarHBondContact O-N 3.02Å
534I84.8Confident80.8Confident83 Ų83114 Ų11443%0.42659%0.585SS.*Hα-helixtrans-62.2-42.9176.2-61173.5000110.8T530 Y537 L538T530-I534 PolarHBondContact O-N 3.03Å; T530-I534 VanDerWaalsContact O-N 3.15Å; I534-Y537 PolarHBondContact O-N 2.85Å; I534-L538 HydrophobicContact CG2-CD1 4.24Å; I534-L538 WeakPolarHBondContact O-CG 3.44Å; I534-L538 PolarHBondContact O-N 2.78Å
535K89.9Confident81.9Confident151 Ų151116.3 Ų116.366%0.65759%0.592SS**Hα-helixtrans-65.7-39.3176.2-82.6177.4-179.5168.40112.4D531 E532 D533 L538 K539D531-K535 PolarHBondContact O-N 2.92Å; E532-K535 PolarHBondContact O-N 2.7Å; D533-K535 PolarHBondContact O-N 3Å; K535-L538 PolarHBondContact O-N 3.1Å; K535-K539 PolarHBondContact O-N 3.38Å; K535-K539 VanDerWaalsContact O-N 3.07Å
536A90.4Very high82.1Confident59 Ų59114.9 Ų114.949%0.48860%0.596SS.*Hα-helixtrans-64.7-4217600000111.3E532 D533 K539 A540E532-A536 WeakPolarHBondContact O-CB 3.49Å; E532-A536 PolarHBondContact O-N 3.31Å; D533-A536 PolarHBondContact O-N 3.06Å; A536-K539 PolarHBondContact O-N 3.18Å; A536-A540 PolarHBondContact O-N 3.36Å
537Y85.6Confident81.6Confident162 Ų162120.8 Ų120.864%0.63562%0.621SS**Hα-helixtrans-62.3-45.6175.1-177.7-104.8000112D533 I534 K539 A540 V541D533-Y537 WeakPolarHBondContact O-CB 3.16Å; D533-Y537 PolarHBondContact O-N 3.02Å; I534-Y537 PolarHBondContact O-N 2.85Å; Y537-K539 PolarHBondContact O-N 3Å; Y537-A540 WeakPolarHBondContact O-CB 3.32Å; Y537-A540 PolarHBondContact O-N 3.31Å; Y537-A540 VanDerWaalsContact O-N 3.13Å; Y537-V541 HydrophobicContact CD1-CG2 4.13Å; Y537-V541 HydrophobicContact CE1-CG2 3.74Å; Y537-V541 HydrophobicContact CE2-CG2 4.14Å; Y537-V541 HydrophobicContact CG-CG2 4.5Å; Y537-V541 WeakPolarHBondContact O-CG2 3.42Å; Y537-V541 PolarHBondContact O-N 3.17Å
538L89.3Confident82.3Confident102 Ų102122.6 Ų122.653%0.53462%0.622SS.*Hα-helixtrans-57.9-45.5175.4-77167000112.1I534 K535 A540 V541 E542I534-L538 HydrophobicContact CG2-CD1 4.24Å; I534-L538 WeakPolarHBondContact O-CG 3.44Å; I534-L538 PolarHBondContact O-N 2.78Å; K535-L538 PolarHBondContact O-N 3.1Å; L538-A540 VanDerWaalsContact C-N 3.32Å; L538-A540 PolarHBondContact O-N 3.13Å; L538-V541 PolarHBondContact O-N 2.81Å; L538-E542 PolarHBondContact O-N 3.18Å
539K90.9Very high83Confident156 Ų156124.1 Ų124.168%0.67862%0.621SS**Hα-helixtrans-60.8-39.1175.2-113.5179.9-179.9176.50112.5K535 A536 Y537 K543K535-K539 PolarHBondContact O-N 3.38Å; K535-K539 VanDerWaalsContact O-N 3.07Å; A536-K539 PolarHBondContact O-N 3.18Å; Y537-K539 PolarHBondContact O-N 3Å; K539-K543 WeakPolarHBondContact O-CB 3.49Å; K539-K543 PolarHBondContact O-N 3.21Å; K539-K543 VanDerWaalsContact O-N 3.08Å
540A89.9Confident83.4Confident54 Ų54125.3 Ų125.345%0.44663%0.628SS.*Hα-helixtrans-68.9-37.3177.600000112.2A536 Y537 L538 K543 K544A536-A540 PolarHBondContact O-N 3.36Å; Y537-A540 WeakPolarHBondContact O-CB 3.32Å; Y537-A540 PolarHBondContact O-N 3.31Å; Y537-A540 VanDerWaalsContact O-N 3.13Å; L538-A540 VanDerWaalsContact C-N 3.32Å; L538-A540 PolarHBondContact O-N 3.13Å; A540-K543 PolarHBondContact O-N 3.11Å; A540-K544 PolarHBondContact O-N 3.23Å; A540-K544 VanDerWaalsContact O-N 3.12Å
541V88.8Confident83.4Confident50 Ų50128.5 Ų128.530%0.30364%0.64SS.*Hα-helixtrans-67.2-44.3175.7172.70000111Y537 L538 K543 K544 H545Y537-V541 HydrophobicContact CD1-CG2 4.13Å; Y537-V541 HydrophobicContact CE1-CG2 3.74Å; Y537-V541 HydrophobicContact CE2-CG2 4.14Å; Y537-V541 HydrophobicContact CG-CG2 4.5Å; Y537-V541 WeakPolarHBondContact O-CG2 3.42Å; Y537-V541 PolarHBondContact O-N 3.17Å; L538-V541 PolarHBondContact O-N 2.81Å; V541-K543 VanDerWaalsContact C-N 3.34Å; V541-K543 PolarHBondContact O-N 3.31Å; V541-K544 PolarHBondContact O-N 3.16Å; V541-H545 PolarHBondContact O-N 3.44Å; V541-H545 PolarHBondContact O-ND1 3.39Å
542E89.7Confident83.3Confident145 Ų145128.4 Ų128.468%0.67864%0.637SS**Hα-helixtrans-59.3-44.5174.1-79.8-176.8157.100111.5L538 K544 H545 G546L538-E542 PolarHBondContact O-N 3.18Å; E542-K544 VanDerWaalsContact C-N 3.26Å; E542-K544 PolarHBondContact O-N 2.86Å; E542-H545 PolarHBondContact O-N 3.1Å; E542-H545 VanDerWaalsContact O-N 3.12Å; E542-G546 PolarHBondContact O-N 2.8Å
543K89.2Confident83Confident189 Ų189126.5 Ų126.582%0.82263%0.63SS**Hα-helixtrans-64.2-29.2178.9-148.8177.6-171.9-177.70113.2K539 A540 V541K539-K543 WeakPolarHBondContact O-CB 3.49Å; K539-K543 PolarHBondContact O-N 3.21Å; K539-K543 VanDerWaalsContact O-N 3.08Å; A540-K543 PolarHBondContact O-N 3.11Å; V541-K543 VanDerWaalsContact C-N 3.34Å; V541-K543 PolarHBondContact O-N 3.31Å
544K86.5Confident82.8Confident186 Ų186130.3 Ų130.381%0.80965%0.647SS**Hα-helixtrans-80.7-25.4174.3-87.3-172.6175.8179.30113.7A540 V541 E542A540-K544 PolarHBondContact O-N 3.23Å; A540-K544 VanDerWaalsContact O-N 3.12Å; V541-K544 PolarHBondContact O-N 3.16Å; E542-K544 VanDerWaalsContact C-N 3.26Å; E542-K544 PolarHBondContact O-N 2.86Å
545H76.8Confident82.6Confident142 Ų142133.9 Ų133.966%0.65766%0.664SS**Hα-helixtrans-97.62.2-175.5-72.284.1000114.8V541 E542 K547V541-H545 PolarHBondContact O-N 3.44Å; V541-H545 PolarHBondContact O-ND1 3.39Å; E542-H545 PolarHBondContact O-N 3.1Å; E542-H545 VanDerWaalsContact O-N 3.12Å; H545-K547 PolarHBondContact O-N 3.37Å
546G61.3Low82Confident71 Ų71132.5 Ų132.573%0.73266%0.664SS**THydrogen-bonded Turntrans56.246159.300000115.4E542E542-G546 PolarHBondContact O-N 2.8Å
547K46.1Very low81.3Confident274 Ų274139.2 Ų139.2100%1.19168%0.681SS**  trans-101.50160.4-81.7-169.7176.4-178.50110.8H545H545-K547 PolarHBondContact O-N 3.37Å

Retrieved 547 of 547 residues in 392.6 ms (Link to these results)

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