A0A087X9Z7_POEFO Loading...

Nfe2 like bZIP transcription factor 3

AlphaFold DB , UniProt , Accession A0A087X9Z7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 633 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
1M46.7Very low56.8Low223 Ų223131.2 Ų131.2100%1.09966%0.658SS**  0-51.20-101.8-176.3177.100114.3V3 A4M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 3.08Å; M1-A4 PolarHBondContact O-N 3.46Å; M1-A4 VanDerWaalsContact O-N 3.13Å
2Q45.7Very low58.4Low174 Ų174128.3 Ų128.381%0.81365%0.645SS**Hα-helixtrans-53.9-41.1-172.8-69.2174-9.600114.8A4 K5 K6Q2-A4 VanDerWaalsContact C-N 3.31Å; Q2-A4 PolarHBondContact O-N 3.3Å; Q2-K5 WeakPolarHBondContact O-CB 3.26Å; Q2-K5 PolarHBondContact O-N 3.18Å; Q2-K5 VanDerWaalsContact O-N 3.07Å; Q2-K6 PolarHBondContact O-N 3.29Å
3V48Very low59.9Low104 Ų104126.2 Ų126.263%0.6364%0.635SS**Hα-helixtrans-55.8-42.6178.4178.40000112.5M1 K5 K6 Y7M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 3.08Å; V3-K5 VanDerWaalsContact C-N 3.3Å; V3-K5 PolarHBondContact O-N 3.26Å; V3-K6 PolarHBondContact O-N 3.11Å; V3-Y7 HydrophobicContact CG1-CD2 4.08Å; V3-Y7 HydrophobicContact CG1-CE2 3.62Å; V3-Y7 WeakPolarHBondContact O-CD2 3.44Å
4A49.7Very low61.1Low67 Ų67125.9 Ų125.955%0.55463%0.631SS**Hα-helixtrans-65.5-31.7178.900000112.7M1 Q2 F8M1-A4 PolarHBondContact O-N 3.46Å; M1-A4 VanDerWaalsContact O-N 3.13Å; Q2-A4 VanDerWaalsContact C-N 3.31Å; Q2-A4 PolarHBondContact O-N 3.3Å; A4-F8 PolarHBondContact O-N 3.3Å
5K51.8Low62.1Low166 Ų166123.5 Ų123.572%0.72262%0.62SS**Hα-helixtrans-64.9-40.8175.6-76.8-166.3170.5-1700112Q2 V3 F8 T9Q2-K5 WeakPolarHBondContact O-CB 3.26Å; Q2-K5 PolarHBondContact O-N 3.18Å; Q2-K5 VanDerWaalsContact O-N 3.07Å; V3-K5 VanDerWaalsContact C-N 3.3Å; V3-K5 PolarHBondContact O-N 3.26Å; K5-F8 PolarHBondContact O-N 3.4Å; K5-T9 PolarHBondContact O-N 3Å; K5-T9 PolarHBondContact O-OG1 2.98Å; K5-T9 VanDerWaalsContact O-OG1 3.07Å
6K56.3Low62.8Low155 Ų155119.8 Ų119.867%0.67461%0.606SS**Hα-helixtrans-58.9-53.1178.4-90.5-164169.9-167.60112Q2 V3 F8 T9 E10Q2-K6 PolarHBondContact O-N 3.29Å; V3-K6 PolarHBondContact O-N 3.11Å; K6-F8 VanDerWaalsContact C-N 3.28Å; K6-F8 PolarHBondContact O-N 2.82Å; K6-T9 PolarHBondContact O-N 3.26Å; K6-T9 PolarHBondContact O-OG1 2.63Å; K6-E10 WeakPolarHBondContact O-CB 3.4Å; K6-E10 PolarHBondContact O-N 2.95Å
7Y54.8Low63.6Low171 Ų171118.2 Ų118.267%0.67160%0.598SS**Hα-helixtrans-61.7-36.1179.6-67.5-63.4000112.7V3 E10 G11V3-Y7 HydrophobicContact CG1-CD2 4.08Å; V3-Y7 HydrophobicContact CG1-CE2 3.62Å; V3-Y7 WeakPolarHBondContact O-CD2 3.44Å; Y7-E10 PolarHBondContact O-N 3.37Å; Y7-G11 PolarHBondContact O-N 3.35Å
8F57.1Low64.5Low159 Ų159117.6 Ų117.670%0.69760%0.596SS**Hα-helixtrans-67.1-42.9176.2-145.7-82.6000112.1A4 K5 K6 L12A4-F8 PolarHBondContact O-N 3.3Å; K5-F8 PolarHBondContact O-N 3.4Å; K6-F8 VanDerWaalsContact C-N 3.28Å; K6-F8 PolarHBondContact O-N 2.82Å; F8-L12 VanDerWaalsContact O-CB 3.27Å; F8-L12 WeakPolarHBondContact O-CB 3.25Å; F8-L12 PolarHBondContact O-N 3.12Å; F8-L12 VanDerWaalsContact O-N 3.12Å
9T65.9Low64.8Low80 Ų80114.6 Ų114.649%0.49158%0.581SS.*Hα-helixtrans-65.6-40.1175.245.90000112.6K5 K6 L12 I13K5-T9 PolarHBondContact O-N 3Å; K5-T9 PolarHBondContact O-OG1 2.98Å; K5-T9 VanDerWaalsContact O-OG1 3.07Å; K6-T9 PolarHBondContact O-N 3.26Å; K6-T9 PolarHBondContact O-OG1 2.63Å; T9-L12 PolarHBondContact O-N 2.92Å; T9-I13 WeakPolarHBondContact O-CD1 3.34Å; T9-I13 VanDerWaalsContact O-CG1 3.23Å; T9-I13 WeakPolarHBondContact O-CG1 3.33Å; T9-I13 PolarHBondContact O-N 3.18Å
10E71.9Confident65.1Low106 Ų106113 Ų11350%0.49558%0.581SS.*Hα-helixtrans-73.3-40.9-175.3-165161.3175.700111.9K6 Y7 L12 I13 Q14K6-E10 WeakPolarHBondContact O-CB 3.4Å; K6-E10 PolarHBondContact O-N 2.95Å; Y7-E10 PolarHBondContact O-N 3.37Å; E10-L12 PolarHBondContact O-N 3.01Å; E10-I13 PolarHBondContact O-N 2.91Å; E10-Q14 WeakPolarHBondContact O-CG 3.26Å; E10-Q14 PolarHBondContact O-N 3.48Å
11G76.5Confident65.4Low38 Ų38114.2 Ų114.239%0.39259%0.588SS.*Hα-helixtrans-63.7-37.4170.900000113.2Y7 Q14 L15Y7-G11 PolarHBondContact O-N 3.35Å; G11-Q14 PolarHBondContact O-N 3.06Å; G11-L15 WeakPolarHBondContact O-CB 3.43Å; G11-L15 PolarHBondContact O-N 2.85Å
12L76.5Confident66.8Low97 Ų97108.6 Ų108.651%0.50857%0.566SS.*Hα-helixtrans-68.1-39.4176.5-164.573.1000112.1F8 T9 E10 L15 T16F8-L12 VanDerWaalsContact O-CB 3.27Å; F8-L12 WeakPolarHBondContact O-CB 3.25Å; F8-L12 PolarHBondContact O-N 3.12Å; F8-L12 VanDerWaalsContact O-N 3.12Å; T9-L12 PolarHBondContact O-N 2.92Å; E10-L12 PolarHBondContact O-N 3.01Å; L12-L15 PolarHBondContact O-N 2.85Å; L12-T16 WeakPolarHBondContact O-CB 3.26Å; L12-T16 PolarHBondContact O-N 3.24Å; L12-T16 PolarHBondContact O-OG1 2.86Å
13I77.4Confident67.1Low100 Ų100103.2 Ų103.251%0.51356%0.557SS.*Hα-helixtrans-62.9-48.1173.4-71.5163.1000110.6T9 E10 L15 T16 I17T9-I13 WeakPolarHBondContact O-CD1 3.34Å; T9-I13 VanDerWaalsContact O-CG1 3.23Å; T9-I13 WeakPolarHBondContact O-CG1 3.33Å; T9-I13 PolarHBondContact O-N 3.18Å; E10-I13 PolarHBondContact O-N 2.91Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 2.92Å; I13-T16 PolarHBondContact O-N 2.82Å; I13-T16 VanDerWaalsContact O-N 3.16Å; I13-I17 HydrophobicContact CG2-CD1 3.76Å; I13-I17 WeakPolarHBondContact O-CG1 3.47Å; I13-I17 PolarHBondContact O-N 3.32Å
14Q77.2Confident67.8Low122 Ų122101.7 Ų101.757%0.5755%0.548SS*.Hα-helixtrans-60.5-41.8177.9-71.3173.810.400112.1E10 G11 I17 L18E10-Q14 WeakPolarHBondContact O-CG 3.26Å; E10-Q14 PolarHBondContact O-N 3.48Å; G11-Q14 PolarHBondContact O-N 3.06Å; Q14-I17 PolarHBondContact O-N 3.03Å; Q14-L18 WeakPolarHBondContact O-CB 3.31Å; Q14-L18 PolarHBondContact O-N 2.96Å
15L76.3Confident67.8Low91 Ų91109.7 Ų109.748%0.47656%0.564SS.*Hα-helixtrans-63.5-40.4174.3-179.161.3000112.2G11 L12 I13 L18 L19G11-L15 WeakPolarHBondContact O-CB 3.43Å; G11-L15 PolarHBondContact O-N 2.85Å; L12-L15 PolarHBondContact O-N 2.85Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 2.92Å; L15-L18 PolarHBondContact O-N 2.89Å; L15-L19 HydrophobicContact CD1-CD1 4.28Å; L15-L19 HydrophobicContact CD1-CG 4.46Å; L15-L19 HydrophobicContact CG-CD1 4.01Å; L15-L19 WeakPolarHBondContact O-CB 3.16Å; L15-L19 WeakPolarHBondContact O-CD1 3.43Å; L15-L19 WeakPolarHBondContact O-CG 3.27Å; L15-L19 PolarHBondContact O-N 3.39Å
16T72.6Confident68Low63 Ų63104.8 Ų104.839%0.38755%0.548SS..Hα-helixtrans-67.2-40.5179.6-56.30000111.4L12 I13 S20L12-T16 WeakPolarHBondContact O-CB 3.26Å; L12-T16 PolarHBondContact O-N 3.24Å; L12-T16 PolarHBondContact O-OG1 2.86Å; I13-T16 PolarHBondContact O-N 2.82Å; I13-T16 VanDerWaalsContact O-N 3.16Å; T16-S20 WeakPolarHBondContact O-CB 3.43Å; T16-S20 PolarHBondContact O-N 2.94Å; T16-S20 PolarHBondContact O-OG 2.82Å
17I77.2Confident67.8Low93 Ų93102.6 Ų102.648%0.47754%0.543SS..Hα-helixtrans-63.2-44.4173.1-67.7165.4000110.2I13 Q14 S20 L21I13-I17 HydrophobicContact CG2-CD1 3.76Å; I13-I17 WeakPolarHBondContact O-CG1 3.47Å; I13-I17 PolarHBondContact O-N 3.32Å; Q14-I17 PolarHBondContact O-N 3.03Å; I17-S20 WeakPolarHBondContact O-CB 3.4Å; I17-S20 PolarHBondContact O-N 3Å; I17-L21 HydrophobicContact CG2-CD1 3.84Å; I17-L21 HydrophobicContact CG2-CG 4.41Å; I17-L21 VanDerWaalsContact O-CG 3.32Å; I17-L21 WeakPolarHBondContact O-CG 3.46Å; I17-L21 PolarHBondContact O-N 2.92Å
18L78.7Confident67.7Low108 Ų10899 Ų9957%0.56553%0.534SS*.Hα-helixtrans-62.7-44.9178.5-169.169.2000112.2Q14 L15 S20 L21 V22Q14-L18 WeakPolarHBondContact O-CB 3.31Å; Q14-L18 PolarHBondContact O-N 2.96Å; L15-L18 PolarHBondContact O-N 2.89Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 2.73Å; L18-L21 PolarHBondContact O-N 3.17Å; L18-V22 WeakPolarHBondContact O-CG2 3.39Å; L18-V22 PolarHBondContact O-N 3.16Å
19L71.9Confident67.3Low60 Ų6097.2 Ų97.231%0.31453%0.532SS..Hα-helixtrans-60.5-41.6175.1-74.2161.9000111.9L15 V22 G23 V24 V26L15-L19 HydrophobicContact CD1-CD1 4.28Å; L15-L19 HydrophobicContact CD1-CG 4.46Å; L15-L19 HydrophobicContact CG-CD1 4.01Å; L15-L19 WeakPolarHBondContact O-CB 3.16Å; L15-L19 WeakPolarHBondContact O-CD1 3.43Å; L15-L19 WeakPolarHBondContact O-CG 3.27Å; L15-L19 PolarHBondContact O-N 3.39Å; L19-V22 PolarHBondContact O-N 2.99Å; L19-G23 PolarHBondContact O-N 3.5Å; L19-V24 HydrophobicContact CD2-CB 4.28Å; L19-V24 HydrophobicContact CD2-CG1 4.41Å; L19-V24 PolarHBondContact O-N 2.94Å; L19-V26 HydrophobicContact CD1-CG2 4.13Å; L19-V26 HydrophobicContact CD2-CG2 4.17Å
20S69.2Low66.5Low83 Ų8397.6 Ų97.658%0.5854%0.538SS*.Hα-helixtrans-63.6-42.2176.5-56.90000112T16 I17 L18 V22 G23T16-S20 WeakPolarHBondContact O-CB 3.43Å; T16-S20 PolarHBondContact O-N 2.94Å; T16-S20 PolarHBondContact O-OG 2.82Å; I17-S20 WeakPolarHBondContact O-CB 3.4Å; I17-S20 PolarHBondContact O-N 3Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 2.73Å; S20-V22 VanDerWaalsContact C-N 3.33Å; S20-V22 PolarHBondContact O-N 2.91Å; S20-G23 PolarHBondContact O-N 2.9Å; S20-G23 VanDerWaalsContact O-N 3.08Å
21L72.8Confident65.3Low139 Ų139100.8 Ų100.873%0.72855%0.547SS*.Hα-helixtrans-70.3-26.1178.1-71.9170.2000113.4I17 L18I17-L21 HydrophobicContact CG2-CD1 3.84Å; I17-L21 HydrophobicContact CG2-CG 4.41Å; I17-L21 VanDerWaalsContact O-CG 3.32Å; I17-L21 WeakPolarHBondContact O-CG 3.46Å; I17-L21 PolarHBondContact O-N 2.92Å; L18-L21 PolarHBondContact O-N 3.17Å
22V75.3Confident63.9Low105 Ų105103.9 Ų103.964%0.63655%0.554SS**THydrogen-bonded Turntrans-84.91172.1-177.90000111.5L18 L19 S20 V24L18-V22 WeakPolarHBondContact O-CG2 3.39Å; L18-V22 PolarHBondContact O-N 3.16Å; L19-V22 PolarHBondContact O-N 2.99Å; S20-V22 VanDerWaalsContact C-N 3.33Å; S20-V22 PolarHBondContact O-N 2.91Å; V22-V24 HydrophobicContact CB-CG2 4.37Å; V22-V24 HydrophobicContact CG1-CG2 4.01Å; V22-V24 PolarHBondContact O-N 2.95Å
23G51Low62.5Low60 Ų60104.7 Ų104.762%0.61956%0.563SS**THydrogen-bonded Turntrans74.59.6177.500000114.6L19 S20 R25L19-G23 PolarHBondContact O-N 3.5Å; S20-G23 PolarHBondContact O-N 2.9Å; S20-G23 VanDerWaalsContact O-N 3.08Å; G23-R25 PolarHBondContact O-N 3.43Å; G23-R25 VanDerWaalsContact O-N 3.16Å
24V63.3Low60.8Low72 Ų72102.9 Ų102.944%0.43657%0.569SS.*  trans-80.899.5-178.5-175.10000109.1L19 V22 V26L19-V24 HydrophobicContact CD2-CB 4.28Å; L19-V24 HydrophobicContact CD2-CG1 4.41Å; L19-V24 PolarHBondContact O-N 2.94Å; V22-V24 HydrophobicContact CB-CG2 4.37Å; V22-V24 HydrophobicContact CG1-CG2 4.01Å; V22-V24 PolarHBondContact O-N 2.95Å; V24-V26 HydrophobicContact CG1-CG2 3.85Å; V24-V26 PolarHBondContact O-N 2.88Å
25R51.1Low59.2Low236 Ų236106.6 Ų106.689%0.89158%0.579SS**  trans-65.497.2165.4-78.1-175.4164.3-129.5-1.3109.6G23G23-R25 PolarHBondContact O-N 3.43Å; G23-R25 VanDerWaalsContact O-N 3.16Å
26V54.8Low57.3Low63 Ų63110.3 Ų110.338%0.38259%0.588SS.*  trans-86.9107.5168.6-178.40000108.2L19 V24 I28 Y31L19-V26 HydrophobicContact CD1-CG2 4.13Å; L19-V26 HydrophobicContact CD2-CG2 4.17Å; V24-V26 HydrophobicContact CG1-CG2 3.85Å; V24-V26 PolarHBondContact O-N 2.88Å; V26-I28 VanDerWaalsContact C-N 3.34Å; V26-I28 HydrophobicContact CG1-CG1 4.42Å; V26-I28 PolarHBondContact O-N 3Å; V26-Y31 HydrophobicContact CG1-CD2 4.43Å
27D51.3Low55.8Low109 Ų109112 Ų11258%0.58360%0.6SS**  trans-7093.3167.9-79.5-26.1000109.2D29 S30D27-D29 PolarHBondContact O-N 3.23Å; D27-S30 PolarHBondContact O-N 3.17Å; D27-S30 VanDerWaalsContact O-N 3.16Å
28I54.3Low54.1Low94 Ų94113 Ų11348%0.48261%0.613SS.*Hα-helixtrans-57.5-35.9-178.4-67.8170.1000110.9V26 S30 Y31 L32V26-I28 VanDerWaalsContact C-N 3.34Å; V26-I28 HydrophobicContact CG1-CG1 4.42Å; V26-I28 PolarHBondContact O-N 3Å; I28-S30 VanDerWaalsContact C-N 3.31Å; I28-S30 PolarHBondContact O-N 3.02Å; I28-Y31 PolarHBondContact O-N 3.15Å; I28-Y31 VanDerWaalsContact O-N 3.1Å; I28-L32 HydrophobicContact CG2-CD1 3.62Å; I28-L32 HydrophobicContact CG2-CG 3.98Å; I28-L32 PolarHBondContact O-N 3.26Å
29D47.7Very low52.2Low122 Ų122113.6 Ų113.665%0.65262%0.616SS**Hα-helixtrans-61.5-37.2179.7-60.2-36.7000112.6D27 Y31 T33D27-D29 PolarHBondContact O-N 3.23Å; D29-Y31 VanDerWaalsContact C-N 3.29Å; D29-Y31 PolarHBondContact O-N 3.27Å; D29-T33 WeakPolarHBondContact O-CB 3.49Å; D29-T33 PolarHBondContact O-N 2.86Å; D29-T33 VanDerWaalsContact O-N 3.11Å; D29-T33 PolarHBondContact O-OG1 3.5Å
30S48.6Very low50.9Low88 Ų88116.3 Ų116.362%0.61564%0.635SS**Hα-helixtrans-66.3-31176.4-700000112.5D27 I28D27-S30 PolarHBondContact O-N 3.17Å; D27-S30 VanDerWaalsContact O-N 3.16Å; I28-S30 VanDerWaalsContact C-N 3.31Å; I28-S30 PolarHBondContact O-N 3.02Å
31Y47.6Very low49.7Very low174 Ų174120.4 Ų120.468%0.68265%0.645SS**Hα-helixtrans-85.7-35.8178.6-83.2-87.6000113.3V26 I28 D29V26-Y31 HydrophobicContact CG1-CD2 4.43Å; I28-Y31 PolarHBondContact O-N 3.15Å; I28-Y31 VanDerWaalsContact O-N 3.1Å; D29-Y31 VanDerWaalsContact C-N 3.29Å; D29-Y31 PolarHBondContact O-N 3.27Å
32L47.7Very low48.2Very low102 Ų102120 Ų12053%0.53464%0.642SS.*Hα-helixtrans-71.7-37.3178.2-69.7179.6000112.6I28 G34 Y35I28-L32 HydrophobicContact CG2-CD1 3.62Å; I28-L32 HydrophobicContact CG2-CG 3.98Å; I28-L32 PolarHBondContact O-N 3.26Å; L32-G34 PolarHBondContact O-N 3.04Å; L32-Y35 PolarHBondContact O-N 3.05Å
33T46.1Very low46.2Very low115 Ų115122.6 Ų122.671%0.70665%0.653SS**THydrogen-bonded Turntrans-61-26.1178.6-56.90000112.8D29D29-T33 WeakPolarHBondContact O-CB 3.49Å; D29-T33 PolarHBondContact O-N 2.86Å; D29-T33 VanDerWaalsContact O-N 3.11Å; D29-T33 PolarHBondContact O-OG1 3.5Å
34G41.2Very low45.5Very low62 Ų62126.4 Ų126.464%0.63966%0.658SS**THydrogen-bonded Turntrans-78.8-16.5-17800000116L32L32-G34 PolarHBondContact O-N 3.04Å
35Y45.5Very low44.3Very low199 Ų199125.5 Ų125.578%0.7866%0.664SS**THydrogen-bonded Turntrans-127.4-5.1-167.4-81.6-80.8000116.3L32L32-Y35 PolarHBondContact O-N 3.05Å
36Y35.7Very low43.9Very low169 Ų169121.3 Ų121.366%0.66367%0.667SS**  trans-134.7131.1174-72.1-86.2000111.7
37P40.3Very low43.3Very low98 Ų98123.5 Ų123.564%0.63669%0.685SS**  trans-67.9159166.931.4-34.6000110.4L39P37-L39 PolarHBondContact O-N 2.82Å
38P41.8Very low42.7Very low116 Ų116123.3 Ų123.375%0.75369%0.693SS**  trans-64.5100.4-171.5-23.335.1000113.6T40P38-T40 PolarHBondContact O-N 3.25Å
39L39.9Very low41.8Very low120 Ų120123.1 Ų123.163%0.62871%0.705SS**  trans-79.439.1176.8-73.6172.9000113.1P37 I42P37-L39 PolarHBondContact O-N 2.82Å; L39-I42 HydrophobicContact CD2-CD1 3.67Å; L39-I42 HydrophobicContact CD2-CG1 4.38Å
40T44.2Very low41.3Very low116 Ų116127.1 Ų127.171%0.71271%0.712SS**  trans-81.5-15.5-174.9-35.10000113.1P38P38-T40 PolarHBondContact O-N 3.25Å
41E44.2Very low40.7Very low170 Ų170129 Ų12979%0.79471%0.714SS**SBendtrans-102.1-16.2-168.6-62.8-168.9135.600115.6N43E41-N43 VanDerWaalsContact C-N 3.34Å; E41-N43 PolarHBondContact O-N 3.03Å
42I41.5Very low40.3Very low129 Ų129128.5 Ų128.566%0.66272%0.718SS**THydrogen-bonded Turntrans-9327.8-166-28-175.5000114.2L39L39-I42 HydrophobicContact CD2-CD1 3.67Å; L39-I42 HydrophobicContact CD2-CG1 4.38Å
43N32.7Very low39.7Very low160 Ų160127.5 Ų127.586%0.85672%0.716SS**THydrogen-bonded Turntrans-140.722172.7-87.4-72.4000114.4E41 G45E41-N43 VanDerWaalsContact C-N 3.34Å; E41-N43 PolarHBondContact O-N 3.03Å; N43-G45 PolarHBondContact O-N 3.42Å
44L36.2Very low39.5Very low140 Ų140128 Ų12873%0.73372%0.721SS**  trans-8788.1166.1-8483.9000111.3
45G37Very low39.3Very low54 Ų54133.1 Ų133.156%0.55773%0.726SS**  trans-66.8153.214500000109.8N43 S47N43-G45 PolarHBondContact O-N 3.42Å; G45-S47 VanDerWaalsContact C-N 3.34Å; G45-S47 PolarHBondContact O-N 2.74Å
46P42.6Very low39.2Very low147 Ų147132.1 Ų132.196%0.95573%0.728SS**SBendtrans-77.674.1-165.131.6-37.4000113.6
47S43.3Very low39.6Very low109 Ų109129.4 Ų129.476%0.76273%0.729SS**  trans-157.487.2167.2-164.70000113.7G45G45-S47 VanDerWaalsContact C-N 3.34Å; G45-S47 PolarHBondContact O-N 2.74Å
48S37.8Very low39.8Very low106 Ų106132.5 Ų132.574%0.74174%0.74SS**  trans-169.5125.3142.133.10000109.6Y50S48-Y50 PolarHBondContact O-N 2.94Å; S48-Y50 VanDerWaalsContact O-N 3.09Å
49A36.3Very low39.9Very low89 Ų89136 Ų13674%0.73674%0.738SS**  trans-81.690.8-175.500000110.6I51A49-I51 HydrophobicContact CB-CD1 4.36Å; A49-I51 HydrophobicContact CB-CG1 4.21Å; A49-I51 PolarHBondContact O-N 3.49Å
50Y37Very low40.1Very low206 Ų206137.7 Ų137.781%0.80875%0.747SS**  trans-72.967.6166.3-164.9-92000109.9S48 Q52S48-Y50 PolarHBondContact O-N 2.94Å; S48-Y50 VanDerWaalsContact O-N 3.09Å; Y50-Q52 HydrophobicContact CE1-CB 4.25Å; Y50-Q52 PolarHBondContact O-N 3.33Å
51I36.6Very low40.1Very low127 Ų127134.9 Ų134.965%0.65173%0.73SS**  trans-79.3102.8169.1-60.1175.6000106.6A49 T53A49-I51 HydrophobicContact CB-CD1 4.36Å; A49-I51 HydrophobicContact CB-CG1 4.21Å; A49-I51 PolarHBondContact O-N 3.49Å; I51-T53 HydrophobicContact CG2-CG2 4.16Å; I51-T53 PolarHBondContact O-N 3.25Å; I51-T53 PolarHBondContact O-OG1 2.89Å
52Q39.4Very low40.1Very low164 Ų164135 Ų13577%0.76674%0.735SS**  trans-6582.7174.8-171.8177.56.600109.8Y50Y50-Q52 HydrophobicContact CE1-CB 4.25Å; Y50-Q52 PolarHBondContact O-N 3.33Å
53T33.7Very low40.6Very low82 Ų82135.4 Ų135.450%0.50374%0.739SS.*  trans-78.4126.917826.50000109.3I51 F55I51-T53 HydrophobicContact CG2-CG2 4.16Å; I51-T53 PolarHBondContact O-N 3.25Å; I51-T53 PolarHBondContact O-OG1 2.89Å; T53-F55 VanDerWaalsContact C-N 3.26Å; T53-F55 HydrophobicContact CG2-CE2 4.31Å; T53-F55 PolarHBondContact O-N 3.02Å; T53-F55 WeakPolarHBondContact OG1-CE2 3.35Å
54P43.7Very low41.3Very low125 Ų125131 Ų13181%0.81273%0.731SS**  trans-79.671.4-17433-36.4000111.4
55F36.2Very low42Very low169 Ų169134.2 Ų134.274%0.74174%0.735SS**PPolyproline II helixtrans-74.2139.6170.5-73.2-72.1000110.9T53 V57T53-F55 VanDerWaalsContact C-N 3.26Å; T53-F55 HydrophobicContact CG2-CE2 4.31Å; T53-F55 PolarHBondContact O-N 3.02Å; T53-F55 WeakPolarHBondContact OG1-CE2 3.35Å; F55-V57 PolarHBondContact O-N 2.99Å
56H43.9Very low42.8Very low178 Ų178134.7 Ų134.782%0.82474%0.739SS**PPolyproline II helixtrans-62.2125.1-162.8-57.7-76.8000113.7L58H56-L58 PolarHBondContact O-N 2.93Å
57V42.7Very low43.5Very low113 Ų113130.6 Ų130.669%0.68571%0.712SS**PPolyproline II helixtrans-59.6119.6159.7176.10000107.6F55 R59F55-V57 PolarHBondContact O-N 2.99Å; V57-R59 PolarHBondContact O-N 2.95Å
58L46.1Very low44.3Very low163 Ų163131.2 Ų131.285%0.85370%0.702SS**SBendtrans-76.3102.2-176.9-158.983000110.2H56H56-L58 PolarHBondContact O-N 2.93Å
59R43.9Very low45.1Very low190 Ų190131.3 Ų131.372%0.71770%0.7SS**  trans69.189.6168.7-164.5-179.8-166.2164.72.6114.7V57 T61V57-R59 PolarHBondContact O-N 2.95Å; R59-T61 PolarHBondContact O-N 3.39Å; R59-T61 PolarHBondContact O-OG1 2.96Å
60D42.2Very low45.8Very low154 Ų154135.7 Ų135.782%0.82470%0.703SS**  trans-42.5121.9156-146.9-9.3000109.5
61T45Very low46.9Very low57 Ų57128.1 Ų128.135%0.3568%0.68SS.*  trans-135.9148.4175.4-13.50000109.4R59 D63 G64 R81R59-T61 PolarHBondContact O-N 3.39Å; R59-T61 PolarHBondContact O-OG1 2.96Å; T61-D63 PolarHBondContact O-N 3.49Å; T61-G64 PolarHBondContact O-N 3.34Å; T61-R81 PolarHBondContact OG1-NH2 3.25Å
62L44.6Very low47.7Very low174 Ų174127.4 Ų127.491%0.91168%0.683SS**THydrogen-bonded Turntrans-58.2-15.1-156.6-155.565.5000116.5
63D51.9Low48.6Very low137 Ų137125 Ų12573%0.73367%0.672SS**THydrogen-bonded Turntrans-99.36.3-177.3-49.3-61.3000114.1T61 Y65T61-D63 PolarHBondContact O-N 3.49Å; D63-Y65 VanDerWaalsContact O-CD2 3.3Å; D63-Y65 WeakPolarHBondContact O-CD2 3.41Å; D63-Y65 PolarHBondContact O-N 3.06Å; D63-Y65 VanDerWaalsContact O-N 3.17Å
64G48.3Very low50.1Low66 Ų66123.3 Ų123.368%0.6866%0.659SS**  trans78.8-7161.300000118.9T61 G66T61-G64 PolarHBondContact O-N 3.34Å; G64-G66 PolarHBondContact O-N 3.42Å
65Y49.4Very low51Low209 Ų209123.7 Ų123.782%0.8266%0.655SS**  trans-86.791179.1-73.8-85.2000113D63D63-Y65 VanDerWaalsContact O-CD2 3.3Å; D63-Y65 WeakPolarHBondContact O-CD2 3.41Å; D63-Y65 PolarHBondContact O-N 3.06Å; D63-Y65 VanDerWaalsContact O-N 3.17Å
66G54.6Low52.4Low63 Ų63124.3 Ų124.365%0.64965%0.653SS**  trans-79.2113.3170.400000112.3G64G64-G66 PolarHBondContact O-N 3.42Å
67V57.1Low53.6Low62 Ų62118.8 Ų118.838%0.37663%0.627SS.*  trans-96.2132.6-178.2-169.20000111.1C71 L74 F77V67-C71 HydrophobicContact CG1-CB 3.67Å; V67-L74 HydrophobicContact CB-CD1 4.31Å; V67-L74 HydrophobicContact CG1-CD1 3.55Å; V67-F77 HydrophobicContact CG2-CD2 4.32Å; V67-F77 HydrophobicContact CG2-CE2 4.37Å
68H60.8Low55.1Low121 Ų121119 Ų11956%0.5662%0.619SS**  trans-74.2140.1-177.6-179.8-97.9000111.8K70 C71H68-K70 PolarHBondContact ND1-N 3.03Å; H68-K70 PolarHBondContact O-N 3.45Å; H68-C71 WeakPolarHBondContact O-CB 3.35Å; H68-C71 PolarHBondContact O-N 3.27Å
69P52.8Low56.2Low109 Ų109113.4 Ų113.471%0.70860%0.597SS**THydrogen-bonded Turntrans-69.921.6-175.930-38.7000115.8
70K51Low57.5Low180 Ų180106.1 Ų106.178%0.78358%0.575SS**THydrogen-bonded Turntrans-134.817.2169.2-58.4-172.5179-179.40112.8H68H68-K70 PolarHBondContact ND1-N 3.03Å; H68-K70 PolarHBondContact O-N 3.45Å
71C60.1Low58.7Low48 Ų48102.9 Ų102.932%0.32455%0.551SS.*  trans-74.5127.8174.9-133.80000109.5V67 H68 E73 L74V67-C71 HydrophobicContact CG1-CB 3.67Å; H68-C71 WeakPolarHBondContact O-CB 3.35Å; H68-C71 PolarHBondContact O-N 3.27Å; C71-E73 PolarHBondContact O-N 3.05Å; C71-E73 PolarHBondContact SG-OE2 3.05Å; C71-L74 HydrophobicContact CB-CD1 4.05Å; C71-L74 PolarHBondContact O-N 3.07Å
72P54.7Low60Low111 Ų111109 Ų10972%0.72157%0.567SS**THydrogen-bonded Turntrans-58.5-26.3177.3-26.135.7000114.3L74P72-L74 VanDerWaalsContact C-N 3.25Å; P72-L74 PolarHBondContact O-N 3.16Å
73E58.3Low61.3Low114 Ų114105.6 Ų105.653%0.53355%0.55SS..THydrogen-bonded Turntrans-82.66.8-175.7-54.575.2-164.300113.8C71 D75 Y76 F77C71-E73 PolarHBondContact O-N 3.05Å; C71-E73 PolarHBondContact SG-OE2 3.05Å; E73-D75 VanDerWaalsContact C-N 3.26Å; E73-D75 PolarHBondContact O-N 3.5Å; E73-Y76 WeakPolarHBondContact O-CB 3.28Å; E73-Y76 PolarHBondContact O-N 3.36Å; E73-F77 PolarHBondContact O-N 3.2Å; E73-F77 VanDerWaalsContact O-N 3.09Å
74L65.2Low62.2Low47 Ų47103.8 Ų103.825%0.24654%0.54CS..Hα-helixtrans-56.8-39.3-177.7-127.769.3000112.5V67 C71 P72 Y76 F77 F78V67-L74 HydrophobicContact CB-CD1 4.31Å; V67-L74 HydrophobicContact CG1-CD1 3.55Å; C71-L74 HydrophobicContact CB-CD1 4.05Å; C71-L74 PolarHBondContact O-N 3.07Å; P72-L74 VanDerWaalsContact C-N 3.25Å; P72-L74 PolarHBondContact O-N 3.16Å; L74-Y76 VanDerWaalsContact C-N 3.32Å; L74-Y76 PolarHBondContact O-N 3.02Å; L74-F77 WeakPolarHBondContact O-CB 3.33Å; L74-F77 PolarHBondContact O-N 3.25Å; L74-F78 HydrophobicContact CB-CE2 4.44Å; L74-F78 HydrophobicContact CD2-CE2 3.93Å; L74-F78 HydrophobicContact CG-CD2 4.36Å; L74-F78 HydrophobicContact CG-CE2 3.8Å; L74-F78 WeakPolarHBondContact O-CD2 3.32Å; L74-F78 PolarHBondContact O-N 3.08Å
75D62.6Low63.2Low133 Ų133104.2 Ų104.271%0.71153%0.526SS*.Hα-helixtrans-63.7-37.4178-67.7-20.9000111.8E73 F78 A79E73-D75 VanDerWaalsContact C-N 3.26Å; E73-D75 PolarHBondContact O-N 3.5Å; D75-F78 PolarHBondContact O-N 2.78Å; D75-A79 WeakPolarHBondContact O-CB 3.46Å; D75-A79 PolarHBondContact O-N 3.34Å
76Y65.4Low64.2Low182 Ų18299 Ų9971%0.71451%0.509SS*.Hα-helixtrans-68.1-38.4174.8-175.9-95.9000111.6E73 L74 S80E73-Y76 WeakPolarHBondContact O-CB 3.28Å; E73-Y76 PolarHBondContact O-N 3.36Å; L74-Y76 VanDerWaalsContact C-N 3.32Å; L74-Y76 PolarHBondContact O-N 3.02Å; Y76-S80 VanDerWaalsContact O-CB 3.28Å; Y76-S80 WeakPolarHBondContact O-CB 3.44Å; Y76-S80 PolarHBondContact O-N 3.28Å; Y76-S80 PolarHBondContact O-OG 3.24Å
77F69.8Low64.9Low61 Ų61100.7 Ų100.727%0.26851%0.507SS..Hα-helixtrans-64.6-42.7175.3-177.4-96.8000112.3V67 E73 L74 S80 R81V67-F77 HydrophobicContact CG2-CD2 4.32Å; V67-F77 HydrophobicContact CG2-CE2 4.37Å; E73-F77 PolarHBondContact O-N 3.2Å; E73-F77 VanDerWaalsContact O-N 3.09Å; L74-F77 WeakPolarHBondContact O-CB 3.33Å; L74-F77 PolarHBondContact O-N 3.25Å; F77-S80 PolarHBondContact O-OG 3.29Å; F77-S80 VanDerWaalsContact O-OG 3.11Å; F77-R81 PolarHBondContact O-N 3.36Å; F77-R81 VanDerWaalsContact O-N 3.15Å
78F72.8Confident65.5Low117 Ų117106.2 Ų106.251%0.51352%0.521SS..Hα-helixtrans-72.8-39.7176.7-70-59.1000112.9L74 D75 R81 R82L74-F78 HydrophobicContact CB-CE2 4.44Å; L74-F78 HydrophobicContact CD2-CE2 3.93Å; L74-F78 HydrophobicContact CG-CD2 4.36Å; L74-F78 HydrophobicContact CG-CE2 3.8Å; L74-F78 WeakPolarHBondContact O-CD2 3.32Å; L74-F78 PolarHBondContact O-N 3.08Å; D75-F78 PolarHBondContact O-N 2.78Å; F78-R81 PolarHBondContact O-N 3.05Å; F78-R82 WeakPolarHBondContact O-CB 3.49Å; F78-R82 PolarHBondContact O-N 3.4Å
79A70.5Confident65.8Low47 Ų47107.1 Ų107.139%0.38853%0.53SS..Hα-helixtrans-62.5-46.7175.400000111.9D75 R82 L83D75-A79 WeakPolarHBondContact O-CB 3.46Å; D75-A79 PolarHBondContact O-N 3.34Å; A79-R82 PolarHBondContact O-N 3.46Å; A79-L83 WeakPolarHBondContact O-CB 3.22Å; A79-L83 WeakPolarHBondContact O-CG 3.46Å; A79-L83 PolarHBondContact O-N 2.92Å
80S69.6Low66.5Low37 Ų37108.7 Ų108.726%0.25953%0.532SS..Hα-helixtrans-64.6-39.5178.3550000112.7Y76 F77 L83 L84Y76-S80 VanDerWaalsContact O-CB 3.28Å; Y76-S80 WeakPolarHBondContact O-CB 3.44Å; Y76-S80 PolarHBondContact O-N 3.28Å; Y76-S80 PolarHBondContact O-OG 3.24Å; F77-S80 PolarHBondContact O-OG 3.29Å; F77-S80 VanDerWaalsContact O-OG 3.11Å; S80-L83 PolarHBondContact O-N 2.99Å; S80-L84 WeakPolarHBondContact O-CB 3.45Å; S80-L84 VanDerWaalsContact O-CG 3.27Å; S80-L84 WeakPolarHBondContact O-CG 3.43Å; S80-L84 PolarHBondContact O-N 3.3Å
81R67.9Low66.5Low85 Ų85102.2 Ų102.232%0.32152%0.516SS..Hα-helixtrans-61.4-47.4171.4-100.2-172.5176.7167.93.7112.6T61 F77 F78 L83 L84 D85T61-R81 PolarHBondContact OG1-NH2 3.25Å; F77-R81 PolarHBondContact O-N 3.36Å; F77-R81 VanDerWaalsContact O-N 3.15Å; F78-R81 PolarHBondContact O-N 3.05Å; R81-L83 VanDerWaalsContact C-N 3.35Å; R81-L83 PolarHBondContact O-N 2.85Å; R81-L84 PolarHBondContact O-N 3.38Å; R81-D85 PolarHBondContact O-N 2.69Å
82R72.9Confident66.3Low185 Ų185105.2 Ų105.270%0.69854%0.538SS*.Hα-helixtrans-57.6-46.9177.5174.9177.1160.4177.3-5.1111.4F78 A79 L84 D85 E86F78-R82 WeakPolarHBondContact O-CB 3.49Å; F78-R82 PolarHBondContact O-N 3.4Å; A79-R82 PolarHBondContact O-N 3.46Å; R82-L84 PolarHBondContact O-N 3.35Å; R82-D85 PolarHBondContact O-N 3.14Å; R82-E86 VanDerWaalsContact O-CB 3.26Å; R82-E86 WeakPolarHBondContact O-CB 3.29Å; R82-E86 PolarHBondContact O-N 3.24Å
83L72.1Confident66Low104 Ų104104 Ų10455%0.54553%0.53SS..Hα-helixtrans-63.6-38177.1-70.9168.4000112.6A79 S80 R81 E86 V87A79-L83 WeakPolarHBondContact O-CB 3.22Å; A79-L83 WeakPolarHBondContact O-CG 3.46Å; A79-L83 PolarHBondContact O-N 2.92Å; S80-L83 PolarHBondContact O-N 2.99Å; R81-L83 VanDerWaalsContact C-N 3.35Å; R81-L83 PolarHBondContact O-N 2.85Å; L83-E86 PolarHBondContact O-N 3.1Å; L83-V87 WeakPolarHBondContact O-CB 3.42Å; L83-V87 VanDerWaalsContact O-CG2 3.26Å; L83-V87 WeakPolarHBondContact O-CG2 3.37Å; L83-V87 PolarHBondContact O-N 2.71Å
84L71.1Confident65.6Low99 Ų99109.6 Ų109.652%0.51855%0.546SS..Hα-helixtrans-68.5-39.1177-76.3168.9000112.8S80 R81 R82 R88S80-L84 WeakPolarHBondContact O-CB 3.45Å; S80-L84 VanDerWaalsContact O-CG 3.27Å; S80-L84 WeakPolarHBondContact O-CG 3.43Å; S80-L84 PolarHBondContact O-N 3.3Å; R81-L84 PolarHBondContact O-N 3.38Å; R82-L84 PolarHBondContact O-N 3.35Å; L84-R88 WeakPolarHBondContact O-CD 3.45Å; L84-R88 VanDerWaalsContact O-CG 3.25Å; L84-R88 WeakPolarHBondContact O-CG 3.41Å; L84-R88 PolarHBondContact O-N 2.95Å
85D67.8Low64.5Low74 Ų74115 Ų11540%0.39657%0.568SS.*Hα-helixtrans-74.1-32.4175.3-70.6-26.6000111.6R81 R82 R88 N89R81-D85 PolarHBondContact O-N 2.69Å; R82-D85 PolarHBondContact O-N 3.14Å; D85-R88 PolarHBondContact O-N 3.28Å; D85-R88 IonicContact OD1-NH1 3.59Å; D85-R88 PolarHBondContact OD1-NH1 2.81Å; D85-N89 VanDerWaalsContact O-CB 3.31Å; D85-N89 WeakPolarHBondContact O-CB 3.34Å; D85-N89 PolarHBondContact O-N 3.35Å; D85-N89 PolarHBondContact O-ND2 3.46Å; D85-N89 VanDerWaalsContact O-ND2 3.13Å
86E70.4Confident63.3Low100 Ų100117.5 Ų117.547%0.46758%0.575SS.*Hα-helixtrans-62.2-46.4169.4-168.8162.9-174.600111.4R82 L83 R88 N89 L90R82-E86 VanDerWaalsContact O-CB 3.26Å; R82-E86 WeakPolarHBondContact O-CB 3.29Å; R82-E86 PolarHBondContact O-N 3.24Å; L83-E86 PolarHBondContact O-N 3.1Å; E86-R88 VanDerWaalsContact C-N 3.3Å; E86-R88 PolarHBondContact O-N 3.39Å; E86-N89 PolarHBondContact O-N 3.32Å; E86-N89 VanDerWaalsContact O-N 3.16Å; E86-L90 WeakPolarHBondContact O-CG 3.5Å; E86-L90 PolarHBondContact O-N 3.19Å
87V70.9Confident62.2Low99 Ų99114.8 Ų114.860%0.658%0.577SS**Hα-helixtrans-61.7-33.1173.21660000112.9L83L83-V87 WeakPolarHBondContact O-CB 3.42Å; L83-V87 VanDerWaalsContact O-CG2 3.26Å; L83-V87 WeakPolarHBondContact O-CG2 3.37Å; L83-V87 PolarHBondContact O-N 2.71Å
88R69.3Low61Low178 Ų178119.9 Ų119.967%0.67260%0.602SS**Hα-helixtrans-72.3-40.5173-73.7162.6171.7175.9-4.6112L84 D85 E86 L90 G91L84-R88 WeakPolarHBondContact O-CD 3.45Å; L84-R88 VanDerWaalsContact O-CG 3.25Å; L84-R88 WeakPolarHBondContact O-CG 3.41Å; L84-R88 PolarHBondContact O-N 2.95Å; D85-R88 PolarHBondContact O-N 3.28Å; D85-R88 IonicContact OD1-NH1 3.59Å; D85-R88 PolarHBondContact OD1-NH1 2.81Å; E86-R88 VanDerWaalsContact C-N 3.3Å; E86-R88 PolarHBondContact O-N 3.39Å; R88-L90 VanDerWaalsContact C-N 3.32Å; R88-L90 PolarHBondContact O-N 3.32Å; R88-G91 PolarHBondContact O-N 3.09Å
89N66.6Low59.8Low140 Ų140121.6 Ų121.675%0.74962%0.615SS**Hα-helixtrans-71.3-23.4-179.6-71.3-25000113.4D85 E86 G91D85-N89 VanDerWaalsContact O-CB 3.31Å; D85-N89 WeakPolarHBondContact O-CB 3.34Å; D85-N89 PolarHBondContact O-N 3.35Å; D85-N89 PolarHBondContact O-ND2 3.46Å; D85-N89 VanDerWaalsContact O-ND2 3.13Å; E86-N89 PolarHBondContact O-N 3.32Å; E86-N89 VanDerWaalsContact O-N 3.16Å; N89-G91 PolarHBondContact O-N 3.34Å; N89-G91 VanDerWaalsContact O-N 3.11Å
90L67.8Low58.7Low142 Ų142125 Ų12574%0.74363%0.627SS**THydrogen-bonded Turntrans-59.6-16.8171.1-77.2174000113.8E86 R88E86-L90 WeakPolarHBondContact O-CG 3.5Å; E86-L90 PolarHBondContact O-N 3.19Å; R88-L90 VanDerWaalsContact C-N 3.32Å; R88-L90 PolarHBondContact O-N 3.32Å
91G51.7Low58.1Low44 Ų44127.5 Ų127.545%0.45465%0.65SS.*  trans76.6111.8171.700000113.1R88 N89 P93R88-G91 PolarHBondContact O-N 3.09Å; N89-G91 PolarHBondContact O-N 3.34Å; N89-G91 VanDerWaalsContact O-N 3.11Å; G91-P93 WeakPolarHBondContact O-CD 3.41Å
92S55.3Low57.1Low111 Ų111134 Ų13478%0.77668%0.675SS**  trans-55112.1-176.5-176.20000112.5R94S92-R94 PolarHBondContact O-N 3.31Å; S92-R94 VanDerWaalsContact O-N 3.14Å
93P48.2Very low55.8Low85 Ų85133.5 Ų133.555%0.55269%0.685SS**  trans-74.4110176.4-8.425.2000108.1G91 F95G91-P93 WeakPolarHBondContact O-CD 3.41Å; P93-F95 HydrophobicContact CB-CD2 4.15Å; P93-F95 HydrophobicContact CB-CE1 4.39Å; P93-F95 HydrophobicContact CB-CE2 3.65Å; P93-F95 HydrophobicContact CB-CZ 3.78Å; P93-F95 HydrophobicContact CG-CE2 4.1Å; P93-F95 HydrophobicContact CG-CZ 4.36Å; P93-F95 WeakPolarHBondContact O-CD2 3.48Å; P93-F95 PolarHBondContact O-N 3.23Å
94R49Very low55Low231 Ų231134.7 Ų134.787%0.87270%0.697SS**  trans-72.774.6177-72.4-176.2175.6169-0.9111.1S92 H96S92-R94 PolarHBondContact O-N 3.31Å; S92-R94 VanDerWaalsContact O-N 3.14Å; R94-H96 PolarHBondContact O-N 2.94Å
95F42.7Very low53.6Low162 Ų162137.7 Ų137.771%0.71171%0.707SS**  trans-65.5119.6167.4-60.1-65.5000109.5P93 T97P93-F95 HydrophobicContact CB-CD2 4.15Å; P93-F95 HydrophobicContact CB-CE1 4.39Å; P93-F95 HydrophobicContact CB-CE2 3.65Å; P93-F95 HydrophobicContact CB-CZ 3.78Å; P93-F95 HydrophobicContact CG-CE2 4.1Å; P93-F95 HydrophobicContact CG-CZ 4.36Å; P93-F95 WeakPolarHBondContact O-CD2 3.48Å; P93-F95 PolarHBondContact O-N 3.23Å; F95-T97 VanDerWaalsContact C-N 3.3Å; F95-T97 HydrophobicContact CB-CG2 4.45Å; F95-T97 PolarHBondContact O-N 3.41Å
96H38.2Very low52.4Low185 Ų185142.7 Ų142.786%0.85673%0.728SS**  trans-73.486.4167.9-80.1-75.7000109.6R94 Q98R94-H96 PolarHBondContact O-N 2.94Å; H96-Q98 VanDerWaalsContact C-N 3.32Å; H96-Q98 PolarHBondContact O-N 3.1Å
97T41.4Very low51Low125 Ų125144.1 Ų144.177%0.76774%0.744SS**  trans-72.781.2175.4420000111.2F95 L99F95-T97 VanDerWaalsContact C-N 3.3Å; F95-T97 HydrophobicContact CB-CG2 4.45Å; F95-T97 PolarHBondContact O-N 3.41Å; T97-L99 VanDerWaalsContact C-N 3.32Å; T97-L99 PolarHBondContact O-N 3.16Å
98Q44.5Very low49.6Very low168 Ų168144.3 Ų144.379%0.78575%0.75SS**  trans-66.195.1160.8-82-168-24.700109H96 N100H96-Q98 VanDerWaalsContact C-N 3.32Å; H96-Q98 PolarHBondContact O-N 3.1Å; Q98-N100 VanDerWaalsContact C-N 3.31Å; Q98-N100 PolarHBondContact O-N 3.37Å
99L47.7Very low48Very low152 Ų152141.5 Ų141.580%0.79676%0.757SS**  trans-78.779.7-176.9-157.2168.1000109.9T97 A101T97-L99 VanDerWaalsContact C-N 3.32Å; T97-L99 PolarHBondContact O-N 3.16Å; L99-A101 HydrophobicContact CD2-CB 4.23Å; L99-A101 PolarHBondContact O-N 2.96Å
100N48.3Very low46.6Very low118 Ų118141.2 Ų141.263%0.63176%0.761SS**  trans-76.286.8176.3-68.3-25.8000110.3Q98Q98-N100 VanDerWaalsContact C-N 3.31Å; Q98-N100 PolarHBondContact O-N 3.37Å
101A55.8Low45Very low90 Ų90137.8 Ų137.874%0.74476%0.759SS**  trans-73.4126.6171.500000110.8L99L99-A101 HydrophobicContact CD2-CB 4.23Å; L99-A101 PolarHBondContact O-N 2.96Å
102W46.6Very low44.8Very low221 Ų221142 Ų14284%0.83778%0.779SS**  trans-108.6121.6175.6-64.783000109.7V104W102-V104 PolarHBondContact O-N 2.98Å
103L46.9Very low43.8Very low176 Ų176142.7 Ų142.792%0.92178%0.784SS**  trans-80.397.8-179.8-16086.9000110.5H105L103-H105 PolarHBondContact O-N 3.26Å
104V55.1Low43.1Very low129 Ų129144.8 Ų144.878%0.78280%0.795SS**  trans-83.5101.1176.5-177.40000109.8W102 Q106W102-V104 PolarHBondContact O-N 2.98Å; V104-Q106 PolarHBondContact O-N 2.74Å
105H40.8Very low42.4Very low161 Ų161139.6 Ų139.675%0.74580%0.795SS**  trans-69.7115.2174.9-162.6154.5000109.9L103 V107L103-H105 PolarHBondContact O-N 3.26Å; H105-V107 PolarHBondContact O-N 3.28Å; H105-V107 VanDerWaalsContact O-N 3.11Å
106Q43.5Very low41.7Very low179 Ų179135.6 Ų135.684%0.83680%0.798SS**  trans-71.5101.7170.7-70.1-170.612.900110.2V104 S108V104-Q106 PolarHBondContact O-N 2.74Å; Q106-S108 PolarHBondContact O-N 3.02Å
107V41.2Very low41.4Very low130 Ų130134.5 Ų134.579%0.78880%0.799SS**  trans-74.9109.3166.51800000107.9H105 S109H105-V107 PolarHBondContact O-N 3.28Å; H105-V107 VanDerWaalsContact O-N 3.11Å; V107-S109 PolarHBondContact O-N 3.48Å
108S41.5Very low42Very low104 Ų104133.4 Ų133.473%0.72779%0.794SS**  trans-64.8131.2178.7-169.50000111.1Q106 T110Q106-S108 PolarHBondContact O-N 3.02Å; S108-T110 PolarHBondContact O-N 3.45Å; S108-T110 VanDerWaalsContact O-N 3.08Å
109S34.5Very low41.3Very low118 Ų118132.7 Ų132.783%0.82580%0.795SS**  trans-85.182.1-167.360.80000113.3V107V107-S109 PolarHBondContact O-N 3.48Å
110T38.8Very low40.6Very low134 Ų134129.6 Ų129.682%0.82279%0.792SS**  trans-102.197.3163.855.20000110.7S108S108-T110 PolarHBondContact O-N 3.45Å; S108-T110 VanDerWaalsContact O-N 3.08Å
111G33.3Very low39.8Very low70 Ų70128.9 Ų128.972%0.72280%0.796SS**  trans-96.4-177.6161.700000111.7
112P47.8Very low38.7Very low132 Ų132131.7 Ų131.786%0.85780%0.804SS**  cis-127.4139.9-1036.5-21.5000113
113S33.3Very low37.8Very low126 Ų126124.4 Ų124.488%0.88180%0.797SS**  trans-151.6151.8161.955.90000114.1
114T33.8Very low37.1Very low130 Ų130123.9 Ų123.980%0.79880%0.795SS**  trans-78.9154.4-160.2-26.40000115.2
115S34.3Very low35.9Very low122 Ų122126 Ų12685%0.85380%0.796SS**  trans74.9143.6151.1740000120.3
116G28.5Very low35.3Very low77 Ų77122.6 Ų122.679%0.79479%0.79SS**  trans125.8107.7162.100000116.5
117N32.5Very low34.7Very low163 Ų163119.3 Ų119.387%0.87278%0.782SS**  trans-113.8161.9156.6-98.5-8.1000107
118P53.8Low34.1Very low101 Ų101120.7 Ų120.766%0.65678%0.78SS**  cis-138.1-157.2-17.734.5-11.4000112.9
119D29.2Very low33.5Very low153 Ų153122.6 Ų122.682%0.81878%0.782SS**  trans92.4149.1151.8-63.9-22.3000123.3
120A32.6Very low33.2Very low87 Ų87124.9 Ų124.972%0.71978%0.78SS**  trans82.186.2151.400000123.5
121S31.3Very low33.4Very low104 Ų104124 Ų12473%0.72778%0.776SS**  68.2134.711271.30000125.7
122V33.6Very low33.2Very low149 Ų149124.6 Ų124.690%0.90378%0.775SS**  trans82.3143.4138.9168.20000121.2
123G27.2Very low32.3Very low67 Ų67126 Ų12669%0.69178%0.775SS**  trans94109.8170.200000113.9
124L32.9Very low32.4Very low166 Ų166124.1 Ų124.187%0.86977%0.767SS**  cis82.3126.317.3-120.7170.8000115.8
125E29.7Very low32.1Very low174 Ų174121.6 Ų121.681%0.81377%0.767SS**  trans78.1151.8171-53.7-154.5109.400119.4
126S28.7Very low32Very low88 Ų88123.6 Ų123.662%0.61576%0.763SS**  cis-174.2174.3-29.9-91.10000109.9
127T29.5Very low32Very low111 Ų111128.7 Ų128.768%0.68177%0.766SS**  trans81.998.5149.2-52.80000120.4
128E29Very low31.5Very low159 Ų159131.7 Ų131.774%0.74376%0.764SS**  35.3126.4122.3-48.6168.1148.500120.6
129N29.1Very low31Very low144 Ų144131.3 Ų131.377%0.7776%0.762SS**  176.4136.990.5-92.1-70.6000113.5
130E29.1Very low30.9Very low166 Ų166130.1 Ų130.178%0.77676%0.76SS**  trans-79.3170.8156.6-83-73.3131.700109.2
131P41.5Very low30.7Very low114 Ų114135.3 Ų135.374%0.7476%0.761SS**  cis-148.8-17626.544.7-24.5000118.9
132A29.1Very low30.4Very low84 Ų84135.1 Ų135.169%0.69475%0.752SS**  trans89.1107.6136.900000122.6
133D30.5Very low30.2Very low162 Ų162134.7 Ų134.787%0.86674%0.74SS**  90.9143.5120.8-154.531000123.2
134A35.3Very low30.1Very low86 Ų86139 Ų13971%0.71174%0.743SS**  trans54.5117.5159.200000123.2
135G26.9Very low29.8Very low77 Ų77137.3 Ų137.379%0.79474%0.738SS**  trans142.3152.8147.700000115.2
136E32.1Very low29.5Very low164 Ų164135.4 Ų135.477%0.76673%0.729SS**  cis-165.4165.4-27.6-146.9-178.5-177.900109.9
137H28.3Very low29.3Very low184 Ų184137.4 Ų137.485%0.85274%0.742SS**  trans78.5175.9152.2-81.6-42.3000123.7
138R22.7Very low29.2Very low225 Ų225138.9 Ų138.985%0.84974%0.741SS**  trans-145.7-161.4-151.9-141.7-173.2170.6-159.72105.2
139P43.7Very low29Very low93 Ų93137.2 Ų137.260%0.60475%0.747SS**  cis-134.7-161.8-22.641-21.9000113.3
140V26.5Very low28.8Very low129 Ų129136.7 Ų136.778%0.78274%0.744SS**  trans71.7149.4150.5155.60000117.3
141R27.6Very low28.8Very low195 Ų195134.4 Ų134.474%0.73675%0.746SS**  cis-175.2178.9-27.2-160.1-179116.7135.713.4107.3
142D25.8Very low28Very low100 Ų100137.1 Ų137.154%0.53575%0.749SS.*  trans74.5152154.3-67.8-41.5000117.4
143Q29Very low27.9Very low141 Ų141141.2 Ų141.266%0.65976%0.758SS**  cis-171.6179.7-10.1163.3167.3-1100110.4
144E25.6Very low27.6Very low158 Ų158136.7 Ų136.774%0.73875%0.75SS**  trans79.2154.8154.5-104.4162.4-124.700119.4
145V26.6Very low27.2Very low129 Ų129142.1 Ų142.178%0.78276%0.761SS**  cis-136.5165.3-6.5-154.10000110.5
146H23.6Very low27.1Very low135 Ų135141.7 Ų141.763%0.62576%0.756SS**  trans-103.4147.4167.5171.175.2000111.5Q148H146-Q148 VanDerWaalsContact NE2-CG 3.26Å; H146-Q148 WeakPolarHBondContact NE2-CG 3.49Å; H146-Q148 PolarHBondContact NE2-NE2 3.06Å
147C23.4Very low27.8Very low130 Ų130139.5 Ų139.588%0.87876%0.756SS**  trans-155.9163.2160.4-126.80000112.3
148Q27.3Very low27.7Very low142 Ų142136.8 Ų136.866%0.66476%0.757SS**  trans-125161.9-162.3-57.4171.32.300113.5H146H146-Q148 VanDerWaalsContact NE2-CG 3.26Å; H146-Q148 WeakPolarHBondContact NE2-CG 3.49Å; H146-Q148 PolarHBondContact NE2-NE2 3.06Å
149S24.6Very low27.9Very low124 Ų124129.9 Ų129.987%0.86776%0.755SS**  trans-153.1147.7149.357.10000111.5
150N26Very low27.2Very low133 Ų133130.5 Ų130.571%0.71177%0.768SS**  trans-116.5157.2-170.7-61.6-30.6000112.6
151S28.1Very low27.1Very low117 Ų117128.3 Ų128.382%0.81877%0.772SS**  trans163.4122.2140.7-71.50000107.7
152E25.8Very low27.1Very low171 Ų171123.4 Ų123.480%0.79977%0.773SS**  cis91.9140.136.1-68.5-146.4101.100116.3
153L26.7Very low26.9Very low170 Ų170127.8 Ų127.889%0.8979%0.788SS**  trans65.7140.9-179-59.2106.8000118
154G24.4Very low26.9Very low67 Ų67127.4 Ų127.469%0.69179%0.79SS**  cis165.8152.4-1300000116.2
155Q27.3Very low27Very low201 Ų201127.4 Ų127.494%0.93980%0.795SS**  trans74.3150.3159.1-57.4179.8-4.400121
156G23.2Very low27.2Very low67 Ų67130.1 Ų130.169%0.69180%0.799SS**  trans-117.9-137.516900000110.4
157P46.8Very low27.5Very low118 Ų118132 Ų13277%0.76681%0.813SS**  cis-145.9-167.2-543.8-23.5000116.2
158C26.6Very low27.8Very low128 Ų128132.6 Ų132.687%0.86580%0.803SS**  trans78.5126.2147.2-71.30000125.6
159G28Very low27.9Very low80 Ų80132.2 Ų132.283%0.82581%0.81SS**  trans104.6160.8137.200000119.4
160A27.8Very low28Very low106 Ų106133.4 Ų133.488%0.87680%0.8SS**  cis-172.3138.7-27.900000112.5
161G25.9Very low28.1Very low83 Ų83133 Ų13386%0.85680%0.797SS**  trans76.6173.6164.300000118.4
162A26.6Very low28.1Very low92 Ų92134.7 Ų134.776%0.7679%0.789SS**  cis-169.7139.3-19.500000113.7
163F22.6Very low28.5Very low191 Ų191132.3 Ų132.384%0.83878%0.778SS**  trans64.1125.4148-83.6-107.3000125.5
164L28Very low28.7Very low134 Ų134132.2 Ų132.270%0.70277%0.773SS**  trans31135.6138.7-56.3-177.5000123.8
165N27.1Very low29Very low158 Ų158138.1 Ų138.185%0.84578%0.783SS**  -166.7163.799.1-95.1-11.2000112.9
166E32.2Very low29.2Very low185 Ų185136.6 Ų136.686%0.86478%0.775SS**  trans-107.3162.3177.2-59.4168.6117.300110.5
167D28.8Very low29.4Very low174 Ų174137.3 Ų137.393%0.9378%0.775SS**  trans-166.6166.4139.6-118.4-38000113.4
168E30.4Very low28.7Very low143 Ų143137.3 Ų137.367%0.66877%0.773SS**  trans-112.4-155.6-159.2-148.9-156.6134.900115.5K170E168-K170 VanDerWaalsContact OE1-CE 3.31Å; E168-K170 WeakPolarHBondContact OE1-CE 3.21Å; E168-K170 IonicContact OE1-NZ 2.75Å
169V28.6Very low29.5Very low135 Ų135137.2 Ų137.282%0.81877%0.77SS**  trans91.7146.7168.8-176.60000117.8
170K27.7Very low29.5Very low148 Ų148140.4 Ų140.464%0.64377%0.768SS**  -178.1132.6-59.2-108-171.1170.4171.90111.9E168E168-K170 VanDerWaalsContact OE1-CE 3.31Å; E168-K170 WeakPolarHBondContact OE1-CE 3.21Å; E168-K170 IonicContact OE1-NZ 2.75Å
171I28.6Very low29.6Very low126 Ų126141.8 Ų141.865%0.64677%0.766SS**  trans58.6121.3146.1-48.9167.7000121.7E173I171-E173 WeakPolarHBondContact CG2-OE1 3.47Å
172K26.6Very low29.7Very low151 Ų151145.3 Ų145.366%0.65776%0.759SS**  176.1175.4128.9-99.2-125.6152.1-1260110.1E174K172-E174 IonicContact NZ-OE1 2.95Å
173E34.1Very low29.7Very low122 Ų122147.4 Ų147.457%0.5776%0.757SS**  -177.5168.9-63.2-102166.5-112.300109.2I171I171-E173 WeakPolarHBondContact CG2-OE1 3.47Å
174E30.7Very low29.9Very low167 Ų167143.1 Ų143.178%0.7876%0.757SS**  trans69.9133.3175.4-59.9165.4-158.700115.4K172K172-E174 IonicContact NZ-OE1 2.95Å
175E31.9Very low30Very low191 Ų191144.6 Ų144.689%0.89376%0.76SS**  cis88.2137.212-153.3166.5-87.700115.8
176E30.2Very low29.9Very low169 Ų169143.1 Ų143.179%0.7976%0.762SS**  cis-106.4-129.12.2-154.9-147.2125.100111.3
177A27.6Very low29.7Very low82 Ų82139.4 Ų139.468%0.67876%0.757SS**  cis-155.2159-0.900000114
178V33.6Very low29.5Very low119 Ų119137.8 Ų137.872%0.72175%0.753SS**  trans-139.2150.5173-175.40000112.6
179P41.7Very low29.4Very low126 Ų126137.6 Ų137.682%0.81876%0.756SS**  trans-141161.9134.334.1-18.4000116.7
180L28.3Very low29.6Very low146 Ų146138.2 Ų138.276%0.76475%0.75SS**  trans-71.4164.7-178.1-10766.9000115.7
181T30Very low29.5Very low136 Ų136138.8 Ų138.883%0.83476%0.755SS**  -169.5161.3119.618.40000115.2
182H28.2Very low29.4Very low156 Ų156141.1 Ų141.172%0.72276%0.763SS**  trans-58.3151.4-171.2-59.8-89.5000115.8
183L25.8Very low29.4Very low136 Ų136139.2 Ų139.271%0.71277%0.769SS**  cis82.4104.538.6-155.3-172.5000114
184A28.1Very low29Very low101 Ų101140 Ų14084%0.83578%0.776SS**  trans-159.7159.4159.900000111.3
185H29.4Very low29Very low165 Ų165140.5 Ų140.576%0.76478%0.776SS**  trans-126.6158.1-176.3-58.7-111.3000111.8
186S26.4Very low28.8Very low127 Ų127139.3 Ų139.389%0.88877%0.77SS**  169.5163.5116.6-77.70000114.6
187S26.1Very low28.6Very low108 Ų108134.4 Ų134.476%0.75577%0.765SS**  trans-118.7164175.3177.10000110.2
188T24.8Very low28.7Very low139 Ų139137 Ų13785%0.85377%0.766SS**  trans-160.5153.1156.2-730000109.7
189L28Very low28.4Very low140 Ų140137 Ų13773%0.73377%0.766SS**  trans-133.8-178.1-175.6-162.5135.3000109
190E33.5Very low27.7Very low148 Ų148137.1 Ų137.169%0.69277%0.765SS**  trans112144.1158-60.1-76.8121.500119.9
191Q25Very low27.7Very low159 Ų159137 Ų13774%0.74376%0.764SS**  trans7982148-76.3171.210.400124.4
192E27.1Very low27.8Very low176 Ų176136.7 Ų136.782%0.82277%0.765SS**  48.7144.2103.6-60.5-173160.200125.3
193S26.5Very low27.7Very low111 Ų111135.7 Ų135.778%0.77677%0.765SS**  trans78.8153.5149.985.80000119
194L26.7Very low28.7Very low137 Ų137133.8 Ų133.872%0.71776%0.76SS**  cis-166.3167.2-19.9-119.2173.4000110.8
195F29.7Very low28.5Very low178 Ų178136 Ų13678%0.78176%0.763SS**  trans66.9160.2168.6-64.4-66.6000117.7
196E28.3Very low28.5Very low167 Ų167134.6 Ų134.678%0.7876%0.761SS**  cis-154.3167.26.2-142.7174.7145.200113I198E196-I198 HydrophobicContact CG-CD1 4.44Å
197G26.8Very low28.6Very low65 Ų65136.2 Ų136.267%0.6775%0.754SS**  trans116.5101.6164.600000115.8
198I29.4Very low28.5Very low136 Ų136139.3 Ų139.370%0.69776%0.756SS**  71.111550.8-54169.5000111.3E196E196-I198 HydrophobicContact CG-CD1 4.44Å
199T26.3Very low29.2Very low120 Ų120138.8 Ų138.874%0.73675%0.753SS**  cis-149.6-166.6-1.922.10000108.2
200T27.7Very low29.4Very low128 Ų128137.8 Ų137.879%0.78575%0.754SS**  cis-170165.931.2-29.70000111.1
201L27.9Very low29.7Very low144 Ų144136.5 Ų136.575%0.75476%0.759SS**  trans-102.9165.6169.3-142.288.3000111.7D203L201-D203 HydrophobicContact CD2-CB 4.12Å
202P32.7Very low30.4Very low130 Ų130133.9 Ų133.984%0.84476%0.764SS**  -149.4171.6101.440.4-24.2000116.7
203D24.6Very low30.8Very low134 Ų134129.8 Ų129.872%0.71776%0.761SS**  trans-159.3174-175.8-174.649.8000107.8L201L201-D203 HydrophobicContact CD2-CB 4.12Å
204P46.8Very low31.3Very low96 Ų96132.2 Ų132.262%0.62377%0.765SS**  cis-120.1177.3-25.221.10.8000113.9
205V25.3Very low32.2Very low148 Ų148132.2 Ų132.290%0.89776%0.764SS**  trans-141.1135.1153.6-176.30000111.7
206L28.1Very low32.6Very low136 Ų136128.1 Ų128.171%0.71275%0.75SS**  trans-92.2141.1177.7-70.7157.1000113
207H28.4Very low33.7Very low160 Ų160129.2 Ų129.274%0.74175%0.748SS**  155.3149.6109.5-91.6-67.4000117
208H25.4Very low34.9Very low173 Ų173131.8 Ų131.880%0.80175%0.746SS**  trans83.3131.2147.3-95.2-71.1000122.4
209V38.3Very low35.6Very low129 Ų129131 Ų13178%0.78274%0.743SS**  trans-110.3137.1173.8173.70000110.5
210P33.7Very low36.4Very low118 Ų118130.9 Ų130.977%0.76674%0.737SS**  trans-123.2168.7148.721.6-1.4000112.3
211P39.6Very low37.2Very low121 Ų121130.6 Ų130.679%0.78673%0.731SS**  trans-108.3153-156.939.2-34.9000117.8
212A39Very low38Very low104 Ų104128.7 Ų128.786%0.8673%0.729SS**  trans52.294140.900000120.9
213A36.5Very low38.4Very low91 Ų91127 Ų12775%0.75272%0.716SS**  trans-156.1155.8138.100000110.3
214D35.3Very low39.3Very low161 Ų161124.5 Ų124.586%0.86171%0.714SS**  trans38.7103.2162.7-56.8-18.9000119.6
215I46Very low39.3Very low138 Ų138126.8 Ų126.871%0.70872%0.721SS**  trans-83.4113.1163.5-63174.3000108.8W217I215-W217 PolarHBondContact O-N 3.17Å
216D38Very low40.2Very low91 Ų91123.8 Ų123.849%0.48770%0.699SS.*  trans-79.2109.3174.6-176.2-0.1000111N218 N219D216-N218 PolarHBondContact O-N 2.88Å; D216-N218 VanDerWaalsContact O-N 3.15Å; D216-N218 PolarHBondContact OD1-N 3.33Å; D216-N218 VanDerWaalsContact OD1-N 3.15Å; D216-N218 PolarHBondContact OD1-ND2 3.44Å; D216-N219 PolarHBondContact O-N 2.92Å
217W51.1Low41.2Very low191 Ų191122.9 Ų122.972%0.72370%0.696SS**G310 helixtrans-63.8-16.8-176.2-75.191.5000114.8I215 N219 L220I215-W217 PolarHBondContact O-N 3.17Å; W217-N219 VanDerWaalsContact C-N 3.28Å; W217-N219 PolarHBondContact O-N 3.47Å; W217-L220 HydrophobicContact CE3-CD1 4.29Å; W217-L220 HydrophobicContact CZ3-CD1 4.23Å; W217-L220 PolarHBondContact O-N 2.95Å
218N53.7Low42.3Very low118 Ų118122.1 Ų122.163%0.63170%0.697SS**G310 helixtrans-66.1-30.1-179.7-63.2-66.6000112.6D216 L220D216-N218 PolarHBondContact O-N 2.88Å; D216-N218 VanDerWaalsContact O-N 3.15Å; D216-N218 PolarHBondContact OD1-N 3.33Å; D216-N218 VanDerWaalsContact OD1-N 3.15Å; D216-N218 PolarHBondContact OD1-ND2 3.44Å; N218-L220 VanDerWaalsContact C-N 3.33Å; N218-L220 PolarHBondContact O-N 3.16Å
219N43.8Very low43.3Very low121 Ų121119 Ų11965%0.64769%0.685SS**G310 helixtrans-78.2-10.2-177.7-74.9-73.2000114.5D216 W217D216-N219 PolarHBondContact O-N 2.92Å; W217-N219 VanDerWaalsContact C-N 3.28Å; W217-N219 PolarHBondContact O-N 3.47Å
220L41.7Very low43.8Very low116 Ų116117.7 Ų117.761%0.60767%0.674SS**G310 helixtrans-89.4-3.5177.7-87.7168.8000114W217 N218W217-L220 HydrophobicContact CE3-CD1 4.29Å; W217-L220 HydrophobicContact CZ3-CD1 4.23Å; W217-L220 PolarHBondContact O-N 2.95Å; N218-L220 VanDerWaalsContact C-N 3.33Å; N218-L220 PolarHBondContact O-N 3.16Å
221L46.2Very low44.6Very low123 Ų123115.8 Ų115.864%0.64466%0.663SS**SBendtrans-96.1-16.6175.7-67.3174000113.1V223 L226L221-V223 PolarHBondContact O-N 2.94Å; L221-L226 WeakPolarHBondContact O-CD1 3.35Å
222S42.8Very low44.9Very low104 Ų104115.5 Ų115.573%0.72766%0.655SS**  trans-78.460175.7-60.70000112.7
223V41.1Very low45.4Very low94 Ų94113.7 Ų113.757%0.5763%0.633SS**  trans-91.8126.7158.1-179.90000107L221 D225 L226L221-V223 PolarHBondContact O-N 2.94Å; V223-D225 PolarHBondContact O-N 2.92Å; V223-L226 PolarHBondContact O-N 3.31Å; V223-L226 VanDerWaalsContact O-N 3.15Å
224A45.2Very low46.1Very low81 Ų81112.5 Ų112.567%0.66962%0.617SS**THydrogen-bonded Turntrans-62-8.8-165.600000116.2L226A224-L226 VanDerWaalsContact C-N 3.28Å; A224-L226 PolarHBondContact O-N 3.42Å
225D45.7Very low46.6Very low145 Ų145110.7 Ų110.778%0.77561%0.607SS**THydrogen-bonded Turntrans-79.1-2.9175.5-66.6-22.9000113.8V223V223-D225 PolarHBondContact O-N 2.92Å
226L45.6Very low46.8Very low84 Ų84112.1 Ų112.144%0.4460%0.603SS.*SBendtrans-92.9-29.4179.6-89167.3000114.7L221 V223 A224 D228 L229 D230L221-L226 WeakPolarHBondContact O-CD1 3.35Å; V223-L226 PolarHBondContact O-N 3.31Å; V223-L226 VanDerWaalsContact O-N 3.15Å; A224-L226 VanDerWaalsContact C-N 3.28Å; A224-L226 PolarHBondContact O-N 3.42Å; L226-D228 VanDerWaalsContact C-N 3.33Å; L226-D228 PolarHBondContact O-N 3.49Å; L226-L229 HydrophobicContact CD2-CD2 4.5Å; L226-L229 PolarHBondContact O-N 2.98Å; L226-D230 PolarHBondContact O-N 2.87Å
227D48.3Very low47.2Very low118 Ų118112.7 Ų112.763%0.63161%0.606SS**Hα-helixtrans-63.4-37.8-176-69.4-42.5000112.2L229 D230 S231D227-L229 PolarHBondContact O-N 3.47Å; D227-D230 PolarHBondContact O-N 2.87Å; D227-S231 WeakPolarHBondContact O-CB 3.32Å; D227-S231 PolarHBondContact O-N 2.95Å
228D51.4Low47.1Very low143 Ų143106.5 Ų106.577%0.76559%0.592SS**Hα-helixtrans-62.9-28.4174.6-102.67.9000112.7L226L226-D228 VanDerWaalsContact C-N 3.33Å; L226-D228 PolarHBondContact O-N 3.49Å
229L47.3Very low46.8Very low107 Ų107107.3 Ų107.356%0.5659%0.592SS**Hα-helixtrans-85.2-41.8178.1-171.565.2000111.7L226 D227 L232 V233L226-L229 HydrophobicContact CD2-CD2 4.5Å; L226-L229 PolarHBondContact O-N 2.98Å; D227-L229 PolarHBondContact O-N 3.47Å; L229-L232 PolarHBondContact O-N 2.93Å; L229-V233 WeakPolarHBondContact O-CG2 3.39Å; L229-V233 PolarHBondContact O-N 2.93Å; L229-V233 VanDerWaalsContact O-N 3.08Å
230D48.4Very low46.9Very low103 Ų103106.4 Ų106.455%0.55159%0.586SS**Hα-helixtrans-71-34.5-178.7-15350.6000111.7L226 D227 V233 T234L226-D230 PolarHBondContact O-N 2.87Å; D227-D230 PolarHBondContact O-N 2.87Å; D230-V233 PolarHBondContact O-N 2.97Å; D230-T234 VanDerWaalsContact O-CB 3.24Å; D230-T234 WeakPolarHBondContact O-CB 3.39Å; D230-T234 PolarHBondContact O-N 3.09Å; D230-T234 PolarHBondContact O-OG1 2.84Å
231S49.5Very low47.3Very low77 Ų77105.7 Ų105.754%0.53858%0.583SS.*Hα-helixtrans-54.5-52.2167.9179.10000111.8D227 V233 T234 D235D227-S231 WeakPolarHBondContact O-CB 3.32Å; D227-S231 PolarHBondContact O-N 2.95Å; S231-V233 VanDerWaalsContact C-N 3.29Å; S231-V233 PolarHBondContact O-N 2.74Å; S231-T234 PolarHBondContact O-N 3.18Å; S231-D235 PolarHBondContact O-N 3.06Å
232L46.3Very low47.6Very low115 Ų115103.6 Ų103.660%0.60258%0.579SS**Hα-helixtrans-72.5-21.4-175.3-154.9143.6000113.2L229L229-L232 PolarHBondContact O-N 2.93Å
233V49.4Very low47.8Very low66 Ų66104 Ų10440%0.457%0.573SS.*Hα-helixtrans-80.6-41.6169.3170.30000111.4L229 D230 S231 R236 L237L229-V233 WeakPolarHBondContact O-CG2 3.39Å; L229-V233 PolarHBondContact O-N 2.93Å; L229-V233 VanDerWaalsContact O-N 3.08Å; D230-V233 PolarHBondContact O-N 2.97Å; S231-V233 VanDerWaalsContact C-N 3.29Å; S231-V233 PolarHBondContact O-N 2.74Å; V233-R236 PolarHBondContact O-N 3.42Å; V233-L237 HydrophobicContact CG1-CD1 3.84Å; V233-L237 HydrophobicContact CG1-CG 4.43Å; V233-L237 WeakPolarHBondContact O-CG 3.5Å; V233-L237 PolarHBondContact O-N 2.7Å
234T51.4Low48.3Very low67 Ų67103.4 Ų103.441%0.41157%0.565SS.*Hα-helixtrans-67.7-40.5-177-62.30000112.4D230 S231 R236 L237 S238D230-T234 VanDerWaalsContact O-CB 3.24Å; D230-T234 WeakPolarHBondContact O-CB 3.39Å; D230-T234 PolarHBondContact O-N 3.09Å; D230-T234 PolarHBondContact O-OG1 2.84Å; S231-T234 PolarHBondContact O-N 3.18Å; T234-R236 PolarHBondContact O-N 3.14Å; T234-L237 PolarHBondContact O-N 3.11Å; T234-S238 WeakPolarHBondContact O-CB 3.33Å; T234-S238 PolarHBondContact O-N 3.47Å; T234-S238 PolarHBondContact O-OG 3.39Å
235D46.5Very low48.4Very low123 Ų123102.3 Ų102.366%0.65855%0.553SS**Hα-helixtrans-59.3-46.9174.1-117.314.3000110.8S231 L237 S238 E239S231-D235 PolarHBondContact O-N 3.06Å; D235-L237 VanDerWaalsContact C-N 3.33Å; D235-L237 PolarHBondContact O-N 2.81Å; D235-S238 PolarHBondContact O-N 3.22Å; D235-E239 PolarHBondContact O-N 3Å
236R48.6Very low48.6Very low167 Ų16798.8 Ų98.863%0.6354%0.54SS*.Hα-helixtrans-67.8-27.7179.5-75.4-167.1157.7-70-3.7114.4V233 T234V233-R236 PolarHBondContact O-N 3.42Å; T234-R236 PolarHBondContact O-N 3.14Å
237L46.1Very low48.7Very low103 Ų10398.7 Ų98.754%0.53955%0.551SS.*Hα-helixtrans-77.1-37.4172.5-72.7171.3000111.5V233 T234 D235 L240 D241V233-L237 HydrophobicContact CG1-CD1 3.84Å; V233-L237 HydrophobicContact CG1-CG 4.43Å; V233-L237 WeakPolarHBondContact O-CG 3.5Å; V233-L237 PolarHBondContact O-N 2.7Å; T234-L237 PolarHBondContact O-N 3.11Å; D235-L237 VanDerWaalsContact C-N 3.33Å; D235-L237 PolarHBondContact O-N 2.81Å; L237-L240 PolarHBondContact O-N 3.4Å; L237-D241 WeakPolarHBondContact O-CB 3.27Å; L237-D241 PolarHBondContact O-N 2.94Å
238S49.5Very low48.6Very low62 Ų6299.4 Ų99.443%0.43455%0.554SS.*Hα-helixtrans-66.3-38.4178.4-56.80000112.3T234 D235 S242T234-S238 WeakPolarHBondContact O-CB 3.33Å; T234-S238 PolarHBondContact O-N 3.47Å; T234-S238 PolarHBondContact O-OG 3.39Å; D235-S238 PolarHBondContact O-N 3.22Å; S238-S242 WeakPolarHBondContact O-CB 3.46Å; S238-S242 PolarHBondContact O-N 3Å; S238-S242 PolarHBondContact O-OG 3.15Å
239E47.6Very low48.3Very low135 Ų13597.3 Ų97.363%0.63155%0.55SS*.Hα-helixtrans-62-42173.4-160.4174-137.600111.2D235 D243D235-E239 PolarHBondContact O-N 3Å; E239-D243 PolarHBondContact O-N 2.69Å
240L47.3Very low48.2Very low101 Ų10199.9 Ų99.953%0.52956%0.559SS.*Hα-helixtrans-76.5-39.5-177.4-172.463.6000114L237 S242 D243 I244L237-L240 PolarHBondContact O-N 3.4Å; L240-S242 VanDerWaalsContact C-N 3.27Å; L240-S242 PolarHBondContact O-N 2.87Å; L240-D243 PolarHBondContact O-N 3.46Å; L240-I244 HydrophobicContact CD1-CD1 4.49Å; L240-I244 HydrophobicContact CG-CD1 4.04Å; L240-I244 WeakPolarHBondContact O-CG1 3.33Å; L240-I244 PolarHBondContact O-N 3.19Å; L240-I244 VanDerWaalsContact O-N 3.09Å
241D48.5Very low47.8Very low102 Ų102103.3 Ų103.355%0.54558%0.577SS.*Hα-helixtrans-69.7-27.6179.2-160.151.7000112L237 S245L237-D241 WeakPolarHBondContact O-CB 3.27Å; L237-D241 PolarHBondContact O-N 2.94Å; D241-S245 VanDerWaalsContact O-CB 3.27Å; D241-S245 WeakPolarHBondContact O-CB 3.13Å; D241-S245 PolarHBondContact O-N 3.37Å; D241-S245 PolarHBondContact O-OG 3.21Å
242S52Low47.9Very low78 Ų78105.3 Ų105.355%0.54559%0.586SS.*Hα-helixtrans-64.4-48.4171.6-61.90000112S238 L240 S245 S246S238-S242 WeakPolarHBondContact O-CB 3.46Å; S238-S242 PolarHBondContact O-N 3Å; S238-S242 PolarHBondContact O-OG 3.15Å; L240-S242 VanDerWaalsContact C-N 3.27Å; L240-S242 PolarHBondContact O-N 2.87Å; S242-S245 PolarHBondContact O-N 2.98Å; S242-S246 PolarHBondContact O-N 3.12Å
243D48.8Very low47.8Very low114 Ų114102.7 Ų102.761%0.6158%0.578SS**Hα-helixtrans-62.6-45.6176.9-99.6-1.9000111.4E239 L240 S245 S246 A247E239-D243 PolarHBondContact O-N 2.69Å; L240-D243 PolarHBondContact O-N 3.46Å; D243-S245 PolarHBondContact O-N 3.18Å; D243-S246 WeakPolarHBondContact O-CB 3.26Å; D243-S246 PolarHBondContact O-N 3.46Å; D243-S246 PolarHBondContact O-OG 3.33Å; D243-A247 PolarHBondContact O-N 2.96Å; D243-A247 VanDerWaalsContact O-N 3.1Å
244I51Low47.5Very low80 Ų80106.6 Ų106.641%0.4160%0.595SS.*Hα-helixtrans-60.9-44.8178.1-69.2167.8000111.1L240 S246 A247 I248L240-I244 HydrophobicContact CD1-CD1 4.49Å; L240-I244 HydrophobicContact CG-CD1 4.04Å; L240-I244 WeakPolarHBondContact O-CG1 3.33Å; L240-I244 PolarHBondContact O-N 3.19Å; L240-I244 VanDerWaalsContact O-N 3.09Å; I244-S246 VanDerWaalsContact C-N 3.29Å; I244-S246 PolarHBondContact O-N 3.34Å; I244-A247 PolarHBondContact O-N 3.39Å; I244-I248 HydrophobicContact CG2-CD1 3.71Å; I244-I248 WeakPolarHBondContact O-CG1 3.37Å; I244-I248 PolarHBondContact O-N 3.4Å; I244-I248 VanDerWaalsContact O-N 3.14Å
245S46.5Very low47.2Very low58 Ų58110.6 Ų110.641%0.40661%0.609SS.*Hα-helixtrans-62.3-35.6176.9-66.20000112.4D241 S242 D243 S249D241-S245 VanDerWaalsContact O-CB 3.27Å; D241-S245 WeakPolarHBondContact O-CB 3.13Å; D241-S245 PolarHBondContact O-N 3.37Å; D241-S245 PolarHBondContact O-OG 3.21Å; S242-S245 PolarHBondContact O-N 2.98Å; D243-S245 PolarHBondContact O-N 3.18Å; S245-S249 WeakPolarHBondContact O-CB 3.46Å; S245-S249 PolarHBondContact O-N 3.37Å; S245-S249 PolarHBondContact O-OG 2.92Å
246S50.1Low47.4Very low72 Ų72110.9 Ų110.950%0.50361%0.611SS.*Hα-helixtrans-66.2-41.6175.485.40000112.4S242 D243 I244 I248 S249S242-S246 PolarHBondContact O-N 3.12Å; D243-S246 WeakPolarHBondContact O-CB 3.26Å; D243-S246 PolarHBondContact O-N 3.46Å; D243-S246 PolarHBondContact O-OG 3.33Å; I244-S246 VanDerWaalsContact C-N 3.29Å; I244-S246 PolarHBondContact O-N 3.34Å; S246-I248 VanDerWaalsContact C-N 3.35Å; S246-I248 PolarHBondContact O-N 3.5Å; S246-S249 PolarHBondContact O-N 2.94Å
247A48Very low47.4Very low81 Ų81106.9 Ų106.967%0.66961%0.613SS**Hα-helixtrans-70.7-27.9-178.500000113.4D243 I244D243-A247 PolarHBondContact O-N 2.96Å; D243-A247 VanDerWaalsContact O-N 3.1Å; I244-A247 PolarHBondContact O-N 3.39Å
248I46.5Very low47.2Very low134 Ų134109 Ų10969%0.68762%0.622SS**Hα-helixtrans-81-18.7177.5-66.4168.9000111.9I244 S246 Q250I244-I248 HydrophobicContact CG2-CD1 3.71Å; I244-I248 WeakPolarHBondContact O-CG1 3.37Å; I244-I248 PolarHBondContact O-N 3.4Å; I244-I248 VanDerWaalsContact O-N 3.14Å; S246-I248 VanDerWaalsContact C-N 3.35Å; S246-I248 PolarHBondContact O-N 3.5Å; I248-Q250 PolarHBondContact O-N 2.99Å
249S45Very low47.2Very low98 Ų98111.7 Ų111.769%0.68564%0.635SS**  trans-8815.2-170.5-62.60000115.7S245 S246S245-S249 WeakPolarHBondContact O-CB 3.46Å; S245-S249 PolarHBondContact O-N 3.37Å; S245-S249 PolarHBondContact O-OG 2.92Å; S246-S249 PolarHBondContact O-N 2.94Å
250Q44.7Very low46.7Very low161 Ų161112.2 Ų112.275%0.75265%0.648SS**  trans-106.4107.3174.9-74.8-172.3-9.400112I248 V252I248-Q250 PolarHBondContact O-N 2.99Å; Q250-V252 PolarHBondContact O-N 3Å
251D41.4Very low46.1Very low175 Ų175113.1 Ų113.194%0.93666%0.663SS**  trans-64.195.4173-82.2-44.4000111.6S253D251-S253 PolarHBondContact O-N 3.5Å
252V51.4Low45.2Very low119 Ų119113 Ų11372%0.72168%0.676SS**  trans-83.8113.6172-177.80000109.9Q250 L254Q250-V252 PolarHBondContact O-N 3Å; V252-L254 PolarHBondContact O-N 3.49Å
253S43.7Very low44.3Very low61 Ų61113.4 Ų113.443%0.42769%0.692SS.*  trans-63.4131.8176.1-179.30000111.7D251 H255 D256D251-S253 PolarHBondContact O-N 3.5Å; S253-H255 PolarHBondContact O-N 2.92Å; S253-D256 PolarHBondContact O-N 3.37Å
254L43.2Very low43.5Very low147 Ų147112.1 Ų112.177%0.7770%0.698SS**THydrogen-bonded Turntrans-66.62.4-179.2-120.7170.5000114.5V252V252-L254 PolarHBondContact O-N 3.49Å
255H45.2Very low42.5Very low152 Ų152118.8 Ų118.870%0.70472%0.724SS**THydrogen-bonded Turntrans-86.7-32.7172.2-80.6-70.4000113.9S253 A257 M258S253-H255 PolarHBondContact O-N 2.92Å; H255-A257 VanDerWaalsContact C-N 3.31Å; H255-A257 PolarHBondContact O-N 2.93Å; H255-M258 PolarHBondContact O-N 3.45Å
256D50.4Low41.6Very low129 Ų129119.8 Ų119.869%0.6974%0.744SS**G310 helixtrans-74-24.1-173.9-66-39.1000112.5S253 M258S253-D256 PolarHBondContact O-N 3.37Å; D256-M258 VanDerWaalsContact C-N 3.28Å; D256-M258 PolarHBondContact O-N 3.27Å
257A48.8Very low40.6Very low82 Ų82120.8 Ų120.868%0.67876%0.757SS**G310 helixtrans-76.3-5.2177.400000114.9H255H255-A257 VanDerWaalsContact C-N 3.31Å; H255-A257 PolarHBondContact O-N 2.93Å
258M41.9Very low39.7Very low147 Ų147122.5 Ų122.572%0.72476%0.759SS**G310 helixtrans-110.10-172.3-85.1-162.666.400115.8H255 D256H255-M258 PolarHBondContact O-N 3.45Å; D256-M258 VanDerWaalsContact C-N 3.28Å; D256-M258 PolarHBondContact O-N 3.27Å
259V48.4Very low38.8Very low119 Ų119124.9 Ų124.972%0.72177%0.767SS**  trans-120.975.4-177.6-169.90000112
260T37.7Very low38.1Very low147 Ų147124.9 Ų124.990%0.90277%0.767SS**  trans-164.660.5158.97.80000112.6
261S34.3Very low37.3Very low119 Ų119128 Ų12883%0.83277%0.772SS**  trans-12563.6177.852.20000113.5
262A31.2Very low36.6Very low99 Ų99125.6 Ų125.682%0.81876%0.764SS**  trans-157.5113164.400000111.7
263G32.8Very low35.5Very low87 Ų87125.8 Ų125.890%0.89777%0.765SS**  trans-100.2110.1168.400000110.8
264A31Very low34.8Very low87 Ų87127.1 Ų127.172%0.71977%0.774SS**  trans-154130.4173.900000112.1
265F30.1Very low34.2Very low220 Ų220126.5 Ų126.597%0.96577%0.768SS**  trans15.2133.5156.6-61.4-92.5000120.8
266G27.8Very low33.4Very low80 Ų80127.2 Ų127.283%0.82576%0.764SS**  trans152.8111.7149.300000115.6
267A28.8Very low32.4Very low93 Ų93126 Ų12677%0.76975%0.754SS**  trans-77.6-174.7176.600000114.2
268T30Very low31.5Very low117 Ų117130.9 Ų130.972%0.71876%0.755SS**  trans84.1119.9155.54.50000119.5
269E28.1Very low30.7Very low183 Ų183129.7 Ų129.786%0.85575%0.752SS**  trans59.2156.1138.4-80.1171.5-165.100120.3
270S28.9Very low29.7Very low98 Ų98130.7 Ų130.769%0.68575%0.752SS**  cis-152.5139.7-6.950.40000108.2
271R27.6Very low29.3Very low226 Ų226132 Ų13285%0.85375%0.753SS**  64.4145.193.5-157.2-177.7172.6168.3-1.6116
272T28.3Very low28.8Very low125 Ų125135.9 Ų135.977%0.76775%0.749SS**  trans82143.8173.576.50000115.1
273V28.2Very low28.6Very low124 Ų124137.7 Ų137.775%0.75275%0.745SS**  cis-151135.9-7.7115.20000107.1
274S27.9Very low28.2Very low88 Ų88139.9 Ų139.962%0.61573%0.731SS**  47.3146.699.5-112.60000115.7
275Q31.1Very low27.9Very low135 Ų135140.3 Ų140.363%0.63173%0.729SS**  cis-158.6159.76.5-151.8161.2100.100105.6
276R28.4Very low27.7Very low167 Ų167135.7 Ų135.763%0.6372%0.719SS**  cis-152.8-165.635.2-30.5-172.86564.915107.3
277E29.4Very low27.7Very low103 Ų103139.3 Ų139.348%0.48172%0.72SS.*  cis178.7149.4-21.9-112.7171.8174.700104.3
278R29.1Very low27.5Very low184 Ų184140 Ų14069%0.69472%0.719SS**  cis-145170.23.9-83.5167.6-173.26716105.5
279N26.5Very low27.2Very low122 Ų122139.4 Ų139.465%0.65272%0.719SS**  cis-153.4160.8-5.3-11718.3000106
280L26.9Very low27.2Very low140 Ų140138.4 Ų138.473%0.73372%0.719SS**  45.6123.380.6-45.9-178.5000114
281L28.6Very low27.1Very low175 Ų175138 Ų13892%0.91672%0.716SS**  cis-131.6179.936.5-74.7164.6000114.8
282R23.7Very low27.1Very low200 Ų200134.6 Ų134.676%0.75572%0.715SS**  trans-138.1161.4-176.3166.8-179.7172.3177.9-0.3109.8E284R282-E284 IonicContact CZ-OE1 2.82Å; R282-E284 IonicContact NE-OE1 3.94Å; R282-E284 PolarHBondContact NE-OE1 3.49Å; R282-E284 IonicContact NH2-OE1 3.12Å; R282-E284 PolarHBondContact NH2-OE1 2.75Å
283L26.4Very low27Very low138 Ų138134.5 Ų134.572%0.72372%0.719SS**  trans117.8125172.7-65.5162.1000109.4
284E25.3Very low27.1Very low132 Ų132136.6 Ų136.662%0.61773%0.725SS**  67.3120.356.1-59.7169.2-140.200110.9R282R282-E284 IonicContact CZ-OE1 2.82Å; R282-E284 IonicContact NE-OE1 3.94Å; R282-E284 PolarHBondContact NE-OE1 3.49Å; R282-E284 IonicContact NH2-OE1 3.12Å; R282-E284 PolarHBondContact NH2-OE1 2.75Å
285S25.6Very low27.4Very low97 Ų97138.3 Ų138.368%0.67874%0.735SS**  cis-162.7161.61.3-88.40000113.6
286T25.2Very low27.2Very low122 Ų122135.4 Ų135.475%0.74874%0.74SS**  trans52.3117153520000121.5
287N26.7Very low27.8Very low157 Ų157137 Ų13784%0.8476%0.758SS**  -169.7157.2103.2-95.4-25.5000114.5
288S25.1Very low27.8Very low108 Ų108136.3 Ų136.376%0.75577%0.769SS**  trans-30.9155.8167.951.10000118
289S24.5Very low28.2Very low104 Ų104133.9 Ų133.973%0.72778%0.775SS**  cis-173.3145.9-3.61680000108.4
290L27.1Very low28.7Very low162 Ų162131.9 Ų131.985%0.84878%0.783SS**  trans172.6170.9140.4-96.2160.7000112
291S28.1Very low29.2Very low89 Ų89133 Ų13362%0.62279%0.789SS**  trans-47.3137.4-179.151.70000116.8
292D26.6Very low29.5Very low155 Ų155129.6 Ų129.683%0.82979%0.786SS**  -179124106.8-87-13.1000111.3
293S26.2Very low30Very low123 Ų123124.5 Ų124.586%0.8679%0.787SS**  trans-110.181.9177.562.40000111.3
294L30.6Very low30.5Very low167 Ų167125.3 Ų125.387%0.87479%0.791SS**  trans-67.8136.6171-16672.3000109.9G296L294-G296 PolarHBondContact O-N 3.31Å
295P34.3Very low30.8Very low125 Ų125124.1 Ų124.181%0.81280%0.795SS**  trans-73.5118-175.427.8-33.6000111.9
296G27.6Very low31.2Very low73 Ų73127.8 Ų127.875%0.75380%0.799SS**  trans-119.3139.517800000112.5L294 A298L294-G296 PolarHBondContact O-N 3.31Å; G296-A298 PolarHBondContact O-N 3.49Å
297M40.8Very low31.3Very low202 Ų202126.9 Ų126.9100%0.99580%0.803SS**  trans-43.5125.6-173.9-66.4173.6165.600116.2
298A29.8Very low31.4Very low88 Ų88124.9 Ų124.973%0.72780%0.802SS**  trans-158.1153.1152.500000111.7G296G296-A298 PolarHBondContact O-N 3.49Å
299V35.8Very low31.7Very low133 Ų133125.8 Ų125.881%0.80680%0.802SS**  trans59.761.6166.7-156.10000116.9L301V299-L301 PolarHBondContact O-N 3.17Å
300G38.5Very low32Very low80 Ų80126.4 Ų126.483%0.82581%0.805SS**  trans-82.497.5147.200000110
301L36.6Very low32.4Very low164 Ų164126.5 Ų126.586%0.85981%0.806SS**  trans-166.650.5166.4-110.3-177.3000112.1V299V299-L301 PolarHBondContact O-N 3.17Å
302A35.4Very low32.4Very low103 Ų103129.6 Ų129.685%0.85182%0.815SS**  trans-142.241.1-175.600000113.5
303A34.5Very low32.4Very low93 Ų93129.1 Ų129.177%0.76982%0.818SS**  trans-145.673.8-178.100000112.4
304L35.5Very low32.5Very low155 Ų155126 Ų12681%0.81281%0.805SS**  trans-131.8127.4167-71.2176.3000109.4F306L304-F306 PolarHBondContact O-N 3.29Å
305P32.7Very low32.6Very low107 Ų107125 Ų12570%0.69580%0.801SS**SBendtrans-81.727.7-166.234.1-38000114.8
306F33.8Very low32.4Very low174 Ų174126.2 Ų126.276%0.76380%0.8SS**  trans-133.360.1-176.2-70.1-70.9000112.8L304L304-F306 PolarHBondContact O-N 3.29Å
307A27.5Very low32.4Very low102 Ų102128.5 Ų128.584%0.84380%0.8SS**  trans-122.870.8168.500000110
308S29.4Very low32Very low116 Ų116124.1 Ų124.181%0.81179%0.789SS**  trans-94.3147175.4-165.30000111.9
309V31Very low32.1Very low126 Ų126129.3 Ų129.376%0.76480%0.798SS**  trans-60.9127.5-172178.70000112.8
310C31Very low31.8Very low117 Ų117128.9 Ų128.979%0.79180%0.801SS**  trans-160.2121.9150.8-960000107.6
311N34.1Very low31.5Very low164 Ų164129.9 Ų129.988%0.87780%0.801SS**  trans-95.9159.1-165.5-120.1-28.7000114.6
312L27.8Very low31.5Very low154 Ų154131.1 Ų131.181%0.80681%0.808SS**  trans-83.4147.4-175.4-167.574.2000112.3
313T27Very low31.6Very low146 Ų146130 Ų13090%0.89681%0.806SS**  trans-140.3124.2166.7-59.60000111.4
314G29.5Very low31.4Very low57 Ų57131.2 Ų131.259%0.58881%0.809SS**  trans88.4127.3179.400000113.5
315N31.7Very low31.6Very low147 Ų147129.5 Ų129.579%0.78681%0.809SS**  cis-157.3135.72.8-148.418000110.8
316L29.7Very low31.9Very low149 Ų149133 Ų13378%0.7882%0.821SS**  trans38.3129.7166-81.879.3000119.1
317T28.6Very low33Very low122 Ų122130 Ų13075%0.74881%0.813SS**  cis-150.1169.140.148.20000114.5
318S32Very low34.4Very low110 Ų110132.9 Ų132.977%0.76981%0.809SS**  trans75.177.4154.6-57.80000120.8
319Q33.1Very low35.5Very low197 Ų197129.9 Ų129.992%0.92179%0.791SS**  trans35106.4138.1-61-177.32.400120.4
320S27.9Very low36.8Very low123 Ų123127.7 Ų127.786%0.8678%0.778SS**  -170.1167.2129.6480000111.2
321A32.7Very low37.9Very low102 Ų102129 Ų12984%0.84377%0.77SS**  trans62113.3174.800000118.4
322L37.4Very low38.9Very low189 Ų189126.7 Ų126.799%0.9975%0.754SS**  trans-83134.4162.5-83149.7000109.6
323G36.4Very low40Very low80 Ų80125.1 Ų125.183%0.82574%0.743SS**  trans174.761.218000000114.6
324S31.8Very low41.4Very low118 Ų118121.8 Ų121.883%0.82572%0.719SS**  trans-156.2113175.2-177.70000112.5
325C38.1Very low42.5Very low120 Ų120123.5 Ų123.581%0.81171%0.714SS**  trans178.986.1141.456.30000111.7
326L39.9Very low43.4Very low179 Ų179123.3 Ų123.394%0.93771%0.709SS**  trans-131.6136.8150-75.6178.7000106.8
327D56.5Low44.3Very low112 Ų112121.9 Ų121.960%0.59970%0.701SS**  trans-94.4141-162.5-172.421.5000112.8A329 V330D327-A329 PolarHBondContact O-N 3.28Å; D327-A329 VanDerWaalsContact O-N 3.17Å; D327-A329 WeakPolarHBondContact OD2-CB 3.32Å; D327-V330 PolarHBondContact O-N 3.35Å; D327-V330 VanDerWaalsContact O-N 3.07Å
328E56.1Low45.1Very low162 Ų162118.4 Ų118.476%0.75769%0.69SS**Hα-helixtrans-55.5-34.5-179.5-164.481.5-179.300111.2V330 F331 E332E328-V330 PolarHBondContact O-N 3.11Å; E328-V330 VanDerWaalsContact O-N 3.15Å; E328-F331 PolarHBondContact O-N 3.48Å; E328-E332 PolarHBondContact O-N 3.01Å
329A52.3Low45.7Very low54 Ų54119.2 Ų119.245%0.44669%0.685SS.*Hα-helixtrans-56.8-29178.800000113.8D327 F331 Q333D327-A329 PolarHBondContact O-N 3.28Å; D327-A329 VanDerWaalsContact O-N 3.17Å; D327-A329 WeakPolarHBondContact OD2-CB 3.32Å; A329-F331 VanDerWaalsContact C-N 3.35Å; A329-Q333 WeakPolarHBondContact O-CB 3.47Å; A329-Q333 PolarHBondContact O-N 2.88Å
330V58.8Low46.3Very low80 Ų80110.9 Ų110.949%0.48565%0.652SS.*Hα-helixtrans-69.1-36.1177.9-176.60000111D327 E328 Q333 I334D327-V330 PolarHBondContact O-N 3.35Å; D327-V330 VanDerWaalsContact O-N 3.07Å; E328-V330 PolarHBondContact O-N 3.11Å; E328-V330 VanDerWaalsContact O-N 3.15Å; V330-Q333 PolarHBondContact O-N 2.98Å; V330-I334 HydrophobicContact CG1-CD1 4.19Å; V330-I334 WeakPolarHBondContact O-CG1 3.21Å; V330-I334 PolarHBondContact O-N 3.11Å
331F53.8Low47.4Very low143 Ų143112 Ų11263%0.62765%0.648SS**Hα-helixtrans-74.8-40.5-179.2-154.9-96.2000111.7E328 A329 Q333 I334 N335E328-F331 PolarHBondContact O-N 3.48Å; A329-F331 VanDerWaalsContact C-N 3.35Å; F331-Q333 VanDerWaalsContact C-N 3.3Å; F331-Q333 PolarHBondContact O-N 3.16Å; F331-I334 PolarHBondContact O-N 2.7Å; F331-N335 PolarHBondContact O-N 2.95Å
332E56.2Low48.3Very low116 Ų116115 Ų11554%0.54264%0.644SS.*Hα-helixtrans-56.6-43.7169.3-17572.1-13500111E328 N335 Q336E328-E332 PolarHBondContact O-N 3.01Å; E332-N335 PolarHBondContact O-N 3.49Å; E332-Q336 WeakPolarHBondContact O-CG 3.43Å; E332-Q336 PolarHBondContact O-N 2.91Å; E332-Q336 PolarHBondContact OE1-NE2 2.92Å
333Q51Low48.8Very low121 Ų121108.5 Ų108.557%0.56562%0.618SS**Hα-helixtrans-67.8-37.1179.1-166172.625.300113.3A329 V330 F331 N335 Q336 L337A329-Q333 WeakPolarHBondContact O-CB 3.47Å; A329-Q333 PolarHBondContact O-N 2.88Å; V330-Q333 PolarHBondContact O-N 2.98Å; F331-Q333 VanDerWaalsContact C-N 3.3Å; F331-Q333 PolarHBondContact O-N 3.16Å; Q333-N335 VanDerWaalsContact C-N 3.34Å; Q333-N335 PolarHBondContact O-N 3.48Å; Q333-Q336 PolarHBondContact O-N 3.3Å; Q333-L337 WeakPolarHBondContact O-CG 3.27Å; Q333-L337 PolarHBondContact O-N 2.86Å
334I55.2Low49.4Very low77 Ų77109.1 Ų109.140%0.39560%0.601SS.*Hα-helixtrans-63.6-39.5175-71163.7000111.3V330 F331 L337V330-I334 HydrophobicContact CG1-CD1 4.19Å; V330-I334 WeakPolarHBondContact O-CG1 3.21Å; V330-I334 PolarHBondContact O-N 3.11Å; F331-I334 PolarHBondContact O-N 2.7Å; I334-L337 PolarHBondContact O-N 2.97Å
335N52.4Low50.3Low92 Ų92109.2 Ų109.249%0.49259%0.593SS.*Hα-helixtrans-65.7-41.2173.7-77.2-30.6000112F331 E332 Q333 L337 G338F331-N335 PolarHBondContact O-N 2.95Å; E332-N335 PolarHBondContact O-N 3.49Å; Q333-N335 VanDerWaalsContact C-N 3.34Å; Q333-N335 PolarHBondContact O-N 3.48Å; N335-L337 PolarHBondContact O-N 2.98Å; N335-G338 PolarHBondContact O-N 3.05Å; N335-G338 VanDerWaalsContact O-N 3.09Å
336Q52.1Low50.7Low144 Ų144108.9 Ų108.967%0.67358%0.583SS**Hα-helixtrans-67.2-21176.9-69.717928.500113.6E332 Q333 G338E332-Q336 WeakPolarHBondContact O-CG 3.43Å; E332-Q336 PolarHBondContact O-N 2.91Å; E332-Q336 PolarHBondContact OE1-NE2 2.92Å; Q333-Q336 PolarHBondContact O-N 3.3Å; Q336-G338 VanDerWaalsContact C-N 3.28Å; Q336-G338 PolarHBondContact O-N 2.93Å
337L47.5Very low50.7Low118 Ų118107.6 Ų107.662%0.61857%0.572SS**THydrogen-bonded Turntrans-81.10172.5-71.5168.4000113.9Q333 I334 N335 L339Q333-L337 WeakPolarHBondContact O-CG 3.27Å; Q333-L337 PolarHBondContact O-N 2.86Å; I334-L337 PolarHBondContact O-N 2.97Å; N335-L337 PolarHBondContact O-N 2.98Å; L337-L339 VanDerWaalsContact C-N 3.28Å; L337-L339 HydrophobicContact CB-CG 4.47Å; L337-L339 PolarHBondContact O-N 3.47Å
338G45.2Very low50.3Low50 Ų50107.1 Ų107.152%0.51557%0.569SS.*THydrogen-bonded Turntrans75.310.117500000115.2N335 Q336 G340N335-G338 PolarHBondContact O-N 3.05Å; N335-G338 VanDerWaalsContact O-N 3.09Å; Q336-G338 VanDerWaalsContact C-N 3.28Å; Q336-G338 PolarHBondContact O-N 2.93Å; G338-G340 PolarHBondContact O-N 3.31Å
339L44.7Very low49.4Very low126 Ų126104.7 Ų104.766%0.6656%0.561SS**  trans-85.624.6-178.3-61.8177.1000113.6L337L337-L339 VanDerWaalsContact C-N 3.28Å; L337-L339 HydrophobicContact CB-CG 4.47Å; L337-L339 PolarHBondContact O-N 3.47Å
340G46.7Very low48.7Very low23 Ų23111.2 Ų111.224%0.23758%0.575CS.*  trans-66.6151.8175.700000112.3G338 E342 A343G338-G340 PolarHBondContact O-N 3.31Å; G340-E342 PolarHBondContact O-N 3.24Å; G340-A343 PolarHBondContact O-N 3.06Å
341L50.8Low47.7Very low146 Ų146113.3 Ų113.376%0.76458%0.583SS**Hα-helixtrans-49.3-34.5179.6-100.371.7000113.2A343 I344 D345L341-A343 PolarHBondContact O-N 3.1Å; L341-I344 WeakPolarHBondContact O-CB 3.23Å; L341-I344 PolarHBondContact O-N 3.17Å; L341-D345 PolarHBondContact O-N 3.46Å; L341-D345 VanDerWaalsContact O-N 3.15Å
342E50.8Low47.1Very low165 Ų165113 Ų11377%0.77158%0.584SS**Hα-helixtrans-63.1-22.8-177-54.5-179.2-115.100113G340 N346G340-E342 PolarHBondContact O-N 3.24Å; E342-N346 PolarHBondContact O-ND2 3.32Å
343A47.7Very low46.1Very low52 Ų52112.5 Ų112.543%0.4359%0.592SS.*Hα-helixtrans-78.4-31.117200000112.7G340 L341G340-A343 PolarHBondContact O-N 3.06Å; L341-A343 PolarHBondContact O-N 3.1Å
344I50.7Low45.6Very low93 Ų93113.1 Ų113.148%0.47760%0.599SS.*Hα-helixtrans-76.8-39.3-178-56.9175.2000110.5L341 N346 Q347 L348L341-I344 WeakPolarHBondContact O-CB 3.23Å; L341-I344 PolarHBondContact O-N 3.17Å; I344-N346 VanDerWaalsContact C-N 3.26Å; I344-N346 PolarHBondContact O-N 2.98Å; I344-Q347 PolarHBondContact O-N 3.3Å; I344-L348 HydrophobicContact CG2-CD1 4.15Å; I344-L348 HydrophobicContact CG2-CG 4.48Å; I344-L348 PolarHBondContact O-N 2.94Å
345D48.9Very low44.9Very low121 Ų121115.6 Ų115.665%0.64761%0.613SS**Hα-helixtrans-55.3-41.8176.6-128.732.5000111.6L341 Q347 L348 N349L341-D345 PolarHBondContact O-N 3.46Å; L341-D345 VanDerWaalsContact O-N 3.15Å; D345-Q347 PolarHBondContact O-N 3.46Å; D345-L348 PolarHBondContact O-N 3.4Å; D345-N349 PolarHBondContact O-N 2.93Å
346N46.9Very low44.1Very low113 Ų113116.2 Ų116.260%0.60462%0.624SS**Hα-helixtrans-70.2-26.7177.9-77.6-75000113.9E342 I344E342-N346 PolarHBondContact O-ND2 3.32Å; I344-N346 VanDerWaalsContact C-N 3.26Å; I344-N346 PolarHBondContact O-N 2.98Å
347Q40.8Very low43.2Very low152 Ų152120.7 Ų120.771%0.7164%0.635SS**Hα-helixtrans-78.7-38.8174.1-74.5-168.8-11.100112.2I344 D345 Y350 L351I344-Q347 PolarHBondContact O-N 3.3Å; D345-Q347 PolarHBondContact O-N 3.46Å; Q347-Y350 PolarHBondContact O-N 3.22Å; Q347-L351 PolarHBondContact O-N 3.37Å
348L47.8Very low42.7Very low101 Ų101118.7 Ų118.753%0.52964%0.636SS.*Hα-helixtrans-63.9-44.9179.2-72169.7000111.8I344 D345 Y350 L351 E352I344-L348 HydrophobicContact CG2-CD1 4.15Å; I344-L348 HydrophobicContact CG2-CG 4.48Å; I344-L348 PolarHBondContact O-N 2.94Å; D345-L348 PolarHBondContact O-N 3.4Å; L348-Y350 PolarHBondContact O-N 3.07Å; L348-L351 PolarHBondContact O-N 3.07Å; L348-E352 PolarHBondContact O-N 3.13Å
349N37.3Very low42.2Very low111 Ų111125.4 Ų125.459%0.59465%0.651SS**Hα-helixtrans-60.3-26.8178-167.924.2000113.3D345D345-N349 PolarHBondContact O-N 2.93Å
350Y37.1Very low42.1Very low191 Ų191128.6 Ų128.675%0.74966%0.662SS**Hα-helixtrans-80.3-25.6174.8-118.7-82.1000113.4Q347 L348Q347-Y350 PolarHBondContact O-N 3.22Å; L348-Y350 PolarHBondContact O-N 3.07Å
351L38.7Very low41.7Very low124 Ų124135 Ų13565%0.64969%0.691SS**Hα-helixtrans-83-38.4179.6-150.872000111.2Q347 L348 C353 L354Q347-L351 PolarHBondContact O-N 3.37Å; L348-L351 PolarHBondContact O-N 3.07Å; L351-C353 PolarHBondContact O-N 2.79Å; L351-L354 PolarHBondContact O-N 3.11Å; L351-L354 VanDerWaalsContact O-N 3.12Å
352E41.1Very low41.3Very low138 Ų138136.7 Ų136.765%0.64570%0.7SS**Hα-helixtrans-60-26.8176.7-168.2162.2-160.300112.7L348 L354L348-E352 PolarHBondContact O-N 3.13Å; E352-L354 VanDerWaalsContact C-N 3.34Å; E352-L354 PolarHBondContact O-N 2.9Å
353C34.4Very low40.3Very low105 Ų105136.8 Ų136.871%0.70971%0.706SS**Hα-helixtrans-74.6-15.7177.7-169.30000114.7L351L351-C353 PolarHBondContact O-N 2.79Å
354L40.2Very low39.9Very low134 Ų134140.2 Ų140.270%0.70273%0.727SS**Hα-helixtrans-96.2-29-176-80.7163.9000114.2L351 E352L351-L354 PolarHBondContact O-N 3.11Å; L351-L354 VanDerWaalsContact O-N 3.12Å; E352-L354 VanDerWaalsContact C-N 3.34Å; E352-L354 PolarHBondContact O-N 2.9Å
355D40.8Very low39.3Very low129 Ų129143.6 Ų143.669%0.6975%0.746SS**Hα-helixtrans-77.2-33.4-174.4-114.9-5.4000112.9R357D355-R357 PolarHBondContact O-N 3.15Å
356S35.6Very low38.9Very low105 Ų105143.7 Ų143.773%0.73476%0.756SS**THydrogen-bonded Turntrans-75.125.3-172.9-460000115.6
357R34.7Very low38.2Very low237 Ų237142 Ų14289%0.89477%0.765SS**THydrogen-bonded Turntrans-144.218.1-175.5-144.7175.8-173.3156.45.2115.6D355D355-R357 PolarHBondContact O-N 3.15Å
358A36.5Very low37.9Very low77 Ų77143.1 Ų143.164%0.63678%0.775SS**SBendtrans-133.65-173.800000115.3
359F33.7Very low37.2Very low191 Ų191144.2 Ų144.284%0.83879%0.791SS**SBendtrans-135.311.8-168.7-96-75.2000116.6
360E43Very low37Very low192 Ų192147.2 Ų147.290%0.89781%0.806SS**SBendtrans-117.372.8172.2-72.2-173.8127.100111.1
361D38.7Very low36.7Very low159 Ų159146.5 Ų146.585%0.8581%0.81SS**  trans170110.5147.9-101.8-18.6000108.7
362L41.5Very low36.4Very low181 Ų181144.1 Ų144.195%0.94880%0.804SS**  trans171.567.2152-98.2167.2000111.2
363D31.1Very low36Very low167 Ų167142.8 Ų142.889%0.89381%0.81SS**  trans-132.192.8167.1-134.8-8.5000108.6
364S38Very low35.8Very low124 Ų124148.2 Ų148.287%0.86782%0.816SS**  trans-165.2120.2179.4-79.70000111.6
365D38.4Very low35.4Very low163 Ų163145.6 Ų145.687%0.87282%0.822SS**  trans-63.2139.6172.9-88.5-55.3000112.9
366S40Very low34.7Very low124 Ų124145.3 Ų145.387%0.86783%0.829SS**  trans-173.2128.1137.4-90.30000115.7
367G33.8Very low35.2Very low77 Ų77145.5 Ų145.579%0.79483%0.828SS**  74.6106.8116.200000119.5
368L34.5Very low35Very low176 Ų176140.1 Ų140.192%0.92182%0.821SS**  trans-59.5139.7161.9-59.9166.8000112.1
369S32.3Very low34.7Very low123 Ų123141.7 Ų141.786%0.8683%0.827SS**  trans-168.7146.4138.9-84.30000112.9
370L32.9Very low35.3Very low174 Ų174138.9 Ų138.991%0.91183%0.828SS**  trans-98.3139.1166.4-63.6164.7000108.7
371E31.7Very low34.6Very low176 Ų176133.4 Ų133.482%0.82282%0.823SS**  trans-165.3161.7135.7-163.643.8-92.300111.1
372S30.5Very low34.2Very low75 Ų75131.7 Ų131.752%0.52482%0.823SS.*  trans-99151.1-170.5-36.70000112.7
373S33Very low33.9Very low110 Ų110128 Ų12877%0.76981%0.812SS**  trans-169.7112.1137-89.10000116.6
374Y31.6Very low33.9Very low218 Ų218128 Ų12886%0.85581%0.808SS**  trans18.1132.7136.5-49.3-78.7000122.4
375G30.3Very low33.6Very low80 Ų80129.9 Ų129.983%0.82580%0.804SS**  trans176.574.6162.400000118.4
376C26.8Very low33.2Very low122 Ų122127.4 Ų127.482%0.82480%0.8SS**  trans-7.2168.5161-100.30000123.1
377P45.9Very low32.7Very low110 Ų110127.3 Ų127.371%0.71480%0.799SS**  cis-141.2151.3-1.134.8-13.3000119
378V29.7Very low32.4Very low124 Ų124128.7 Ų128.775%0.75280%0.803SS**  trans47.499.9136.7-169.90000122
379S30.5Very low32.1Very low109 Ų109127.4 Ų127.476%0.76280%0.803SS**  50.6167.7117.9-43.10000123.3
380P47.1Very low31.9Very low133 Ų133126.9 Ų126.986%0.86480%0.799SS**  cis-131171.3-7.440.6-25000116.2
381G28.3Very low31.6Very low76 Ų76124 Ų12478%0.78479%0.793SS**  trans165.2102.2160.300000117.8
382S30.2Very low31.5Very low123 Ų123122.6 Ų122.686%0.8678%0.781SS**  trans-3.1146.2155.9510000120.8
383S35.1Very low31.8Very low103 Ų103128.1 Ų128.172%0.7279%0.792SS**  cis-160.7150.113.649.60000114.5
384E32Very low32.3Very low169 Ų169129 Ų12979%0.7978%0.784SS**  trans18.1142.6130.6-54.5179162.900119.4
385M30.3Very low32.6Very low163 Ų163126.3 Ų126.380%0.80378%0.779SS**  cis-146.8150.244.1-173.765.669.200113.5
386S30.3Very low33Very low111 Ų111131.3 Ų131.378%0.77678%0.781SS**  trans-90.2153.1179.6-58.30000114.3
387S29.1Very low33.4Very low122 Ų122129.3 Ų129.385%0.85378%0.782SS**  trans-69.6153.5159.7-55.30000111.6
388A28Very low32.9Very low105 Ų105128 Ų12887%0.86879%0.787SS**  trans-141.1132.9167.400000111
389T29.1Very low33.1Very low150 Ų150126.2 Ų126.292%0.9279%0.786SS**  trans-121.2125.2178.7-620000109.4
390S26.7Very low33.5Very low112 Ų112128.2 Ų128.278%0.78379%0.794SS**  trans-175.8141.4173.8-1730000108.4
391S28.3Very low33Very low112 Ų112125.2 Ų125.278%0.78379%0.787SS**  cis-157.5175.9-16.954.10000108.5
392Y28Very low33.2Very low148 Ų148132.5 Ų132.558%0.5879%0.792SS**  trans-100.9145.6178.8137.2-95.1000111.1E394Y392-E394 HydrophobicContact CE2-CG 4.47Å
393Y37.5Very low33.6Very low191 Ų191131.7 Ų131.775%0.74979%0.787SS**  trans-177.9116.9134.5-104.8-73.4000112.5
394E44.4Very low33.6Very low128 Ų128131 Ų13160%0.59878%0.782SS**  trans57.3138.3145.5-68.5-65.6-171.800129.3Y392Y392-E394 HydrophobicContact CE2-CG 4.47Å
395E36.9Very low33.7Very low162 Ų162131.3 Ų131.376%0.75778%0.783SS**  trans65.6153.4135.6-147.9152.5-138.200125.7
396E38.8Very low34Very low184 Ų184129.7 Ų129.786%0.8678%0.783SS**  trans-10.9148.6-177.8-67.8-166.6123.700123.2
397G36.3Very low34.1Very low81 Ų81131.7 Ų131.784%0.83578%0.784SS**  trans152.1110.2149.500000115.8
398G34.4Very low34.3Very low81 Ų81131 Ų13184%0.83578%0.78SS**  trans-82.4169.6-170.300000118.9
399A33.9Very low34.6Very low88 Ų88135.4 Ų135.473%0.72778%0.779SS**  trans67.4119.6150.700000121.6
400T39.8Very low35.5Very low150 Ų150133.8 Ų133.892%0.9277%0.771SS**  trans63.3147.7151.360.60000118.8
401G35.2Very low36.3Very low70 Ų70133.7 Ų133.772%0.72277%0.768SS**  cis159.1151.4-7.300000112.3
402Y33.2Very low36.6Very low229 Ų229138.1 Ų138.190%0.89877%0.773SS**  trans71.5138.2167.9-110.9-107000120.6
403S37.6Very low36.8Very low106 Ų106134.7 Ų134.774%0.74178%0.783SS**  trans65.1157.9152.7-75.60000120.6
404S36.8Very low36.5Very low89 Ų89134 Ų13462%0.62279%0.791SS**  cis-170.4127.7-21.7179.60000111.8
405E33.3Very low36.1Very low175 Ų175134.1 Ų134.182%0.81880%0.795SS**  trans53.9169.3149.2-62.8-175.7-175.400123
406V35.6Very low35.8Very low130 Ų130132.7 Ų132.779%0.78879%0.792SS**  trans66.494.9165.4-56.70000122.5
407D33Very low35.4Very low152 Ų152131.3 Ų131.381%0.81379%0.785SS**  61.9165114.3-156.624.4000122.5
408S34.4Very low35Very low108 Ų108138.2 Ų138.276%0.75579%0.786SS**  trans103.7135.1170.2-50.10000117
409K33Very low35Very low198 Ų198138.3 Ų138.386%0.86178%0.779SS**  trans-107.2159.6-174.8-75.4176.2179.3172.60112.6
410P48.3Very low34.9Very low116 Ų116142.1 Ų142.175%0.75378%0.784SS**  trans-92.9161.2-168.436.7-37.8000115.2
411P44.2Very low34.5Very low110 Ų110146.1 Ų146.171%0.71478%0.782SS**  trans-90.8138.3149.727.2-12.8000110.1
412K34.6Very low34.7Very low204 Ų204147.7 Ų147.789%0.88778%0.78SS**  49.6105.476-60.7177.9-179.3177.50111.3
413G31.6Very low34.9Very low77 Ų77142.9 Ų142.979%0.79478%0.777SS**  cis108.2106.214.900000110.4
414I31.4Very low34.9Very low177 Ų177144 Ų14491%0.90878%0.779SS**  trans-144.9147173.2-94.5163.7000107
415L35.5Very low34.8Very low130 Ų130145.9 Ų145.968%0.68178%0.782SS**  trans-110.2145.2-177.2-166.273.1000109.6
416D30.2Very low35.3Very low132 Ų132145.5 Ų145.571%0.70679%0.785SS**  166.1107.8125.9-84.5-2.7000114
417H30.7Very low35.8Very low154 Ų154143.8 Ų143.871%0.71378%0.779SS**  trans30.8126.6137-47-66.1000121.9
418R28.7Very low35.9Very low226 Ų226145.7 Ų145.785%0.85378%0.782SS**  151.5106.292.9-174.6177.1-176.3169.91.7115.8
419A33.8Very low36.3Very low84 Ų84144.9 Ų144.969%0.69478%0.777SS**  trans-177.692.6147.500000108.9
420M32.4Very low36.8Very low168 Ų168141.1 Ų141.183%0.82877%0.77SS**  59.392.877.9-166.368.68600113.9
421W31.5Very low36.5Very low233 Ų233146.4 Ų146.488%0.88378%0.775SS**  trans-133.5150.8161.1-76.783.2000108.3
422P38.4Very low36.2Very low103 Ų103148.6 Ų148.667%0.66978%0.776SS**  trans-81.2157.9-170.633.1-36.2000113.5
423P37.9Very low36.3Very low128 Ų128145 Ų14583%0.83177%0.766SS**  trans-78150.9174.433.2-34.1000112
424V37.6Very low36.9Very low129 Ų129149.2 Ų149.278%0.78277%0.765SS**  trans-119.8145.9169.11770000108.2
425D34.5Very low37.3Very low129 Ų129145.5 Ų145.569%0.6975%0.754SS**  trans-70.1150.5-174.4-171.729.8000113.1S427D425-S427 PolarHBondContact OD2-OG 3.34Å
426L43.1Very low37.4Very low167 Ų167150.5 Ų150.587%0.87477%0.766SS**  trans-118.992.4173.5-87.188.8000109.8
427S48Very low37.9Very low95 Ų95150.2 Ų150.266%0.66477%0.774SS**  trans-141.655.9179.252.40000112.6D425D425-S427 PolarHBondContact OD2-OG 3.34Å
428E34.4Very low38.1Very low191 Ų191147.8 Ų147.889%0.89377%0.774SS**  trans-130103.4170.9-157.8163.6-132.300111.9
429S41.4Very low38.5Very low91 Ų91142.5 Ų142.564%0.63677%0.769SS**  trans-79.1119.8-178.8-57.20000111W431S429-W431 PolarHBondContact O-N 2.94Å
430V44.3Very low38.9Very low119 Ų119143.9 Ų143.972%0.72177%0.772SS**  trans-7789178.1-1750000110.6H432V430-H432 PolarHBondContact O-N 3.44Å; V430-H432 PolarHBondContact O-ND1 3.32Å
431W41.3Very low39Very low228 Ų228144.1 Ų144.186%0.86478%0.775SS**  trans-64.3122.2173.3-64.491000110.9S429S429-W431 PolarHBondContact O-N 2.94Å
432H39.3Very low39.2Very low156 Ų156141.1 Ų141.172%0.72278%0.775SS**  trans-97.386.4175.9-72.864.5000109.6V430V430-H432 PolarHBondContact O-N 3.44Å; V430-H432 PolarHBondContact O-ND1 3.32Å
433D36.9Very low38.7Very low128 Ų128141.1 Ų141.168%0.68478%0.778SS**  trans-98.5108.2178.2-166.6-6.9000110.8
434H42.8Very low38.5Very low165 Ų165143.1 Ų143.176%0.76478%0.778SS**  trans-132.261.5-176.2-72.3-5.3000110.9
435S40.1Very low38.3Very low99 Ų99142.1 Ų142.169%0.69278%0.775SS**PPolyproline II helixtrans-58.5134.9167.1-71.60000111.7S437S435-S437 PolarHBondContact O-N 3.27Å
436Y38.8Very low38.6Very low236 Ų236141.8 Ų141.893%0.92578%0.78SS**PPolyproline II helixtrans-63.6132.9172.7-94-106.5000110.5S438Y436-S438 PolarHBondContact O-N 3.43Å
437S39.1Very low38.2Very low126 Ų126142.3 Ų142.388%0.88178%0.782SS**PPolyproline II helixtrans-67.6119.9-174-46.20000113.1S435S435-S437 PolarHBondContact O-N 3.27Å
438S35.3Very low37.6Very low102 Ų102149.2 Ų149.271%0.71379%0.794SS**PPolyproline II helixtrans-94.5158.5162.353.50000111Y436Y436-S438 PolarHBondContact O-N 3.43Å
439P38.5Very low37.6Very low115 Ų115148.2 Ų148.275%0.74779%0.794SS**PPolyproline II helixtrans-74.9141.3-175.9-15.331.1000112.8L441P439-L441 PolarHBondContact O-N 3.02Å
440P41.7Very low37.5Very low114 Ų114149.2 Ų149.274%0.7480%0.798SS**  trans-77.3111.2-179.530.2-33.9000112.4L442P440-L442 PolarHBondContact O-N 3.32Å
441L34.1Very low36.6Very low173 Ų173150 Ų15091%0.90681%0.807SS**  trans-79.2109.9164.9-67.9176.5000109.7P439P439-L441 PolarHBondContact O-N 3.02Å
442L35.7Very low36.2Very low169 Ų169148.2 Ų148.289%0.88581%0.805SS**  trans-79.5129.8-179-69.3174.8000112.4P440P440-L442 PolarHBondContact O-N 3.32Å
443S28.6Very low35.8Very low103 Ų103147.6 Ų147.672%0.7281%0.813SS**  trans-144.788.9174.1-169.90000112.7
444M33.3Very low35.8Very low170 Ų170149.7 Ų149.784%0.83782%0.819SS**  trans65.7165.7157.2-53.2-57.8153.600118.5
445P32.6Very low35.7Very low109 Ų109149.3 Ų149.371%0.70882%0.817SS**  cis-121.8165.8-33.632.2-16.6000112.5
446P41.6Very low35.9Very low122 Ų122150.4 Ų150.479%0.79282%0.822SS**PPolyproline II helixtrans-83.1131.2-176.332-34.6000114.1
447L34.8Very low36.5Very low178 Ų178147.5 Ų147.593%0.93282%0.817SS**PPolyproline II helixtrans-98.4121.6164.7-67.5178.8000110.5
448R35Very low37Very low239 Ų239151 Ų15190%0.90282%0.819SS**PPolyproline II helixtrans-88.7150.4173.6-71.4176.2165.9165.6-5.7111.1
449L34.5Very low37.4Very low171 Ų171151.2 Ų151.290%0.89581%0.812SS**  trans-168.1162.1140.2-95.5162.6000107.3
450P38.9Very low37.6Very low112 Ų112149.3 Ų149.373%0.72781%0.813SS**  trans-132.5161.8-13140.8-25.2000116.7
451C25.8Very low37.6Very low135 Ų135154.3 Ų154.391%0.91282%0.817SS**  trans-144.4162142.8-141.30000111
452K33.1Very low38.4Very low190 Ų190148.3 Ų148.383%0.82679%0.79SS**  trans-105.9137.9-174.6-60.5178.9179.1-175.90111.8
453T29.9Very low39.1Very low143 Ų143146.9 Ų146.988%0.87778%0.778SS**  trans-153.6151.9138-68.30000106
454E37.8Very low40.2Very low173 Ų173148.2 Ų148.281%0.80878%0.777SS**  trans-97.2131.5-164.3-59.3174.7167.600111.9
455E40.7Very low41.2Very low157 Ų157147 Ų14773%0.73477%0.769SS**  trans43.3152.7145.2-57-49.5129.600122.2
456P44.8Very low42.3Very low121 Ų121145.6 Ų145.679%0.78675%0.753SS**  cis-121164.210.740.7-28.2000116
457E50.8Low42.9Very low176 Ų176147.4 Ų147.482%0.82275%0.751SS**  trans-75.5132.4171.3-56.1-163142.500113.6
458E48.8Very low44.8Very low198 Ų198147.7 Ų147.793%0.92575%0.748SS**  trans-17664.9135.9-104.4-156.3158.100112.7
459D43.9Very low47.1Very low108 Ų108138.5 Ų138.558%0.57872%0.716SS**  trans-158.717.1160.6-144.5-13.2000115.6R461 S462D459-R461 PolarHBondContact O-N 3.48Å; D459-R461 VanDerWaalsContact O-N 3.08Å; D459-S462 PolarHBondContact O-OG 2.78Å; D459-S462 VanDerWaalsContact O-OG 3.14Å; D459-S462 WeakPolarHBondContact OD1-CB 3.34Å; D459-S462 PolarHBondContact OD1-OG 3.39Å
460G42.8Very low49.6Very low74 Ų74133.5 Ų133.576%0.76370%0.695SS**THydrogen-bonded Turntrans-72.7-1.4-168.500000117
461R43.1Very low52.2Low220 Ų220135.1 Ų135.183%0.8369%0.687SS**THydrogen-bonded Turntrans-109.4-27.2-174.8-74.5-173.5175.1-1280.7114.6D459D459-R461 PolarHBondContact O-N 3.48Å; D459-R461 VanDerWaalsContact O-N 3.08Å
462S50.8Low55.5Low46 Ų46129.3 Ų129.332%0.32265%0.647SS.*Hα-helixtrans-63.5-46.1-176.552.70000112.2D459 L464 E465 E466D459-S462 PolarHBondContact O-OG 2.78Å; D459-S462 VanDerWaalsContact O-OG 3.14Å; D459-S462 WeakPolarHBondContact OD1-CB 3.34Å; D459-S462 PolarHBondContact OD1-OG 3.39Å; S462-L464 VanDerWaalsContact C-N 3.33Å; S462-L464 PolarHBondContact O-N 3.35Å; S462-E465 PolarHBondContact O-N 2.95Å; S462-E466 WeakPolarHBondContact O-CG 3.29Å; S462-E466 PolarHBondContact O-N 3.01Å
463Q50.4Low58.5Low139 Ų139121.7 Ų121.765%0.6561%0.614SS**Hα-helixtrans-64.8-30.8-170.6-59.6179.715.100114.1Q467Q463-Q467 PolarHBondContact O-N 3.05Å
464L51.3Low61.6Low132 Ų132118.1 Ų118.169%0.69159%0.589SS**Hα-helixtrans-74.3-33.8177.8-76.1170.1000112.4S462 Q467S462-L464 VanDerWaalsContact C-N 3.33Å; S462-L464 PolarHBondContact O-N 3.35Å; L464-Q467 WeakPolarHBondContact O-CB 3.37Å; L464-Q467 PolarHBondContact O-N 2.84Å
465E54.3Low64.3Low144 Ų144115.8 Ų115.867%0.67357%0.573SS**Hα-helixtrans-73.5-29173.9-67.4-174.5-177.700111.9S462 Q467 L469S462-E465 PolarHBondContact O-N 2.95Å; E465-Q467 VanDerWaalsContact C-N 3.31Å; E465-L469 WeakPolarHBondContact O-CG 3.44Å
466E54.5Low66.9Low80 Ų80108.3 Ų108.337%0.37454%0.539SS..Hα-helixtrans-72.3-23.9174.8-61.2-136.4123.400113.4S462 E468 L469 L474 R477S462-E466 WeakPolarHBondContact O-CG 3.29Å; S462-E466 PolarHBondContact O-N 3.01Å; E466-E468 VanDerWaalsContact C-N 3.26Å; E466-E468 PolarHBondContact O-N 3.21Å; E466-L469 HydrophobicContact CB-CD1 4.29Å; E466-L469 HydrophobicContact CG-CD1 4.25Å; E466-L469 PolarHBondContact O-N 3.3Å; E466-L474 HydrophobicContact CB-CD2 4.18Å; E466-R477 WeakPolarHBondContact OE1-CD 3.41Å; E466-R477 IonicContact OE1-CZ 3.92Å; E466-R477 IonicContact OE1-NH1 2.95Å; E466-R477 PolarHBondContact OE1-NH1 3.27Å
467Q55.5Low69.2Low159 Ų159107.8 Ų107.874%0.74352%0.521SS*.THydrogen-bonded Turntrans-61.6-28.9-176.5-163.971.889.300113.6Q463 L464 E465Q463-Q467 PolarHBondContact O-N 3.05Å; L464-Q467 WeakPolarHBondContact O-CB 3.37Å; L464-Q467 PolarHBondContact O-N 2.84Å; E465-Q467 VanDerWaalsContact C-N 3.31Å
468E74.2Confident71.3Confident185 Ų185103.4 Ų103.486%0.86452%0.515SS*.THydrogen-bonded Turntrans-97.9-3-178.4-60.2-164.7155.300114E466E466-E468 VanDerWaalsContact C-N 3.26Å; E466-E468 PolarHBondContact O-N 3.21Å
469L82.6Confident73.5Confident46 Ų4697.5 Ų97.524%0.24149%0.488CS..  trans-74.3144.2-171.8-59.7-179000112.8E465 E466 R471 E473 L474E465-L469 WeakPolarHBondContact O-CG 3.44Å; E466-L469 HydrophobicContact CB-CD1 4.29Å; E466-L469 HydrophobicContact CG-CD1 4.25Å; E466-L469 PolarHBondContact O-N 3.3Å; L469-R471 PolarHBondContact O-N 2.96Å; L469-E473 HydrophobicContact CB-CB 4.28Å; L469-E473 HydrophobicContact CB-CG 4.18Å; L469-E473 HydrophobicContact CD1-CG 4.18Å; L469-E473 HydrophobicContact CD2-CG 4.22Å; L469-E473 HydrophobicContact CG-CG 4.42Å; L469-L474 HydrophobicContact CB-CD2 4Å; L469-L474 HydrophobicContact CB-CG 3.93Å; L469-L474 HydrophobicContact CD1-CD2 3.96Å
470S87.7Confident75.8Confident65 Ų6597.5 Ų97.546%0.45550%0.495SS..  trans-54140.6170.2176.50000110.6D472 E473 L474S470-D472 PolarHBondContact O-N 2.89Å; S470-D472 PolarHBondContact OG-N 3.44Å; S470-E473 WeakPolarHBondContact O-CA 3.35Å; S470-E473 VanDerWaalsContact O-CB 3.28Å; S470-E473 WeakPolarHBondContact O-CB 3.32Å; S470-E473 PolarHBondContact O-N 3.04Å; S470-L474 PolarHBondContact O-N 3.2Å
471R94.1Very high78.2Confident146 Ų14694.7 Ų94.755%0.55146%0.462SS*.Hα-helixtrans-50.9-32.5172.8-172-161.867.7-164.7-4.7112.9L469 R475L469-R471 PolarHBondContact O-N 2.96Å; R471-R475 WeakPolarHBondContact O-CB 3.3Å; R471-R475 WeakPolarHBondContact O-CD 3.25Å; R471-R475 WeakPolarHBondContact O-CG 3.42Å; R471-R475 PolarHBondContact O-N 3.49Å
472D94.7Very high80.6Confident14 Ų1488.3 Ų88.38%0.07545%0.45CS..Hα-helixtrans-78.3-23.6177.1-78-18.6000113S470 A476 V485 I516 R519S470-D472 PolarHBondContact O-N 2.89Å; S470-D472 PolarHBondContact OG-N 3.44Å; D472-A476 WeakPolarHBondContact O-CB 3.41Å; D472-A476 PolarHBondContact O-N 3.47Å; D472-V485 VanDerWaalsContact C-CG2 3.43Å; D472-V485 HydrophobicContact CB-CG2 3.93Å; D472-I516 HydrophobicContact CB-CD1 4.38Å; D472-I516 HydrophobicContact CB-CG1 3.99Å; D472-I516 WeakPolarHBondContact O-CD1 3.45Å; D472-R519 IonicContact OD1-CZ 2.82Å; D472-R519 IonicContact OD1-NE 3.58Å; D472-R519 PolarHBondContact OD1-NE 3.03Å; D472-R519 IonicContact OD1-NH2 3.18Å; D472-R519 PolarHBondContact OD1-NH2 3.24Å; D472-R519 IonicContact OD2-CZ 3.37Å; D472-R519 IonicContact OD2-NE 3.75Å; D472-R519 PolarHBondContact OD2-NE 3.34Å; D472-R519 IonicContact OD2-NH2 2.72Å; D472-R519 PolarHBondContact OD2-NH2 2.81Å
473E95.3Very high82.7Confident30 Ų3087.9 Ų87.914%0.1444%0.442CS..Hα-helixtrans-77.4-46.8175.7-177.971.1-153.100110.3L469 S470 R475 A476 R477 V485L469-E473 HydrophobicContact CB-CB 4.28Å; L469-E473 HydrophobicContact CB-CG 4.18Å; L469-E473 HydrophobicContact CD1-CG 4.18Å; L469-E473 HydrophobicContact CD2-CG 4.22Å; L469-E473 HydrophobicContact CG-CG 4.42Å; S470-E473 WeakPolarHBondContact O-CA 3.35Å; S470-E473 VanDerWaalsContact O-CB 3.28Å; S470-E473 WeakPolarHBondContact O-CB 3.32Å; S470-E473 PolarHBondContact O-N 3.04Å; E473-R475 PolarHBondContact O-N 2.96Å; E473-A476 WeakPolarHBondContact O-CB 3.27Å; E473-A476 PolarHBondContact O-N 3Å; E473-R477 WeakPolarHBondContact O-CG 3.48Å; E473-R477 PolarHBondContact O-N 3.32Å; E473-R477 IonicContact OE1-NE 3.76Å; E473-V485 HydrophobicContact CB-CG2 3.86Å; E473-V485 WeakPolarHBondContact OE2-CB 3.49Å; E473-V485 WeakPolarHBondContact OE2-CG2 3.26Å; E473-V485 PolarHBondContact OE2-N 3.13Å
474L94.5Very high84.8Confident67 Ų6782.9 Ų82.935%0.35142%0.422SS..Hα-helixtrans-55.6-39.8170.8-66.8170.7000111.5E466 L469 S470 A478E466-L474 HydrophobicContact CB-CD2 4.18Å; L469-L474 HydrophobicContact CB-CD2 4Å; L469-L474 HydrophobicContact CB-CG 3.93Å; L469-L474 HydrophobicContact CD1-CD2 3.96Å; S470-L474 PolarHBondContact O-N 3.2Å; L474-A478 VanDerWaalsContact O-CB 3.25Å; L474-A478 WeakPolarHBondContact O-CB 3.39Å; L474-A478 PolarHBondContact O-N 3.39Å
475R94.9Very high87Confident124 Ų12477.7 Ų77.747%0.46840%0.396SS..Hα-helixtrans-68.3-37.5174.8-75.5171.2176.6-155.6-6.1113.2R471 E473 M479 L512R471-R475 WeakPolarHBondContact O-CB 3.3Å; R471-R475 WeakPolarHBondContact O-CD 3.25Å; R471-R475 WeakPolarHBondContact O-CG 3.42Å; R471-R475 PolarHBondContact O-N 3.49Å; E473-R475 PolarHBondContact O-N 2.96Å; R475-M479 PolarHBondContact O-N 3.15Å; R475-M479 VanDerWaalsContact O-N 3.16Å; R475-L512 HydrophobicContact CB-CD1 4.36Å; R475-L512 HydrophobicContact CB-CD2 4.16Å
476A95.1Very high88.9Confident1 Ų176.6 Ų76.61%0.00839%0.394CS..Hα-helixtrans-64.7-46.5175.500000111.2D472 E473 M479 C480 I481 I516D472-A476 WeakPolarHBondContact O-CB 3.41Å; D472-A476 PolarHBondContact O-N 3.47Å; E473-A476 WeakPolarHBondContact O-CB 3.27Å; E473-A476 PolarHBondContact O-N 3Å; A476-M479 CarbonylContact O-C 3.5Å; A476-M479 PolarHBondContact O-N 3.49Å; A476-C480 PolarHBondContact O-N 3.11Å; A476-I481 HydrophobicContact CB-CB 4.25Å; A476-I481 HydrophobicContact CB-CD1 4.46Å; A476-I481 WeakPolarHBondContact O-CB 3.28Å; A476-I481 PolarHBondContact O-N 3.26Å; A476-I516 HydrophobicContact CB-CD1 4.1Å
477R94.2Very high91Very high109 Ų10977.7 Ų77.741%0.41140%0.399SS..Hα-helixtrans-60.2-46.2174.5-69179.5176.7-152-1.3112.5E466 E473 M479 C480E466-R477 WeakPolarHBondContact OE1-CD 3.41Å; E466-R477 IonicContact OE1-CZ 3.92Å; E466-R477 IonicContact OE1-NH1 2.95Å; E466-R477 PolarHBondContact OE1-NH1 3.27Å; E473-R477 WeakPolarHBondContact O-CG 3.48Å; E473-R477 PolarHBondContact O-N 3.32Å; E473-R477 IonicContact OE1-NE 3.76Å; R477-M479 PolarHBondContact O-N 3.31Å; R477-C480 WeakPolarHBondContact O-CA 3.46Å; R477-C480 PolarHBondContact O-N 3.06Å
478A95.2Very high92.9Very high84 Ų8470.2 Ų70.269%0.69436%0.364SS*.Hα-helixtrans-64.6-22178.300000114L474L474-A478 VanDerWaalsContact O-CB 3.25Å; L474-A478 WeakPolarHBondContact O-CB 3.39Å; L474-A478 PolarHBondContact O-N 3.39Å
479M93.5Very high94Very high75 Ų7561.8 Ų61.837%0.36933%0.325SS..THydrogen-bonded Turntrans-97.513.5169.5-69.9-160179.500113.3R475 A476 R477 I481 D508 Q509 L512R475-M479 PolarHBondContact O-N 3.15Å; R475-M479 VanDerWaalsContact O-N 3.16Å; A476-M479 CarbonylContact O-C 3.5Å; A476-M479 PolarHBondContact O-N 3.49Å; R477-M479 PolarHBondContact O-N 3.31Å; M479-I481 HydrophobicContact CB-CD1 4.22Å; M479-I481 HydrophobicContact CB-CG1 4.07Å; M479-I481 PolarHBondContact O-N 3.09Å; M479-D508 HydrophobicContact CE-CB 4.48Å; M479-Q509 HydrophobicContact CB-CG 4.15Å; M479-Q509 PolarHBondContact O-NE2 3.22Å; M479-Q509 HydrophobicContact SD-CG 4.14Å; M479-L512 HydrophobicContact CB-CD2 4.24Å; M479-L512 HydrophobicContact CE-CD2 4.22Å; M479-L512 HydrophobicContact CG-CD2 3.93Å; M479-L512 HydrophobicContact SD-CB 4.12Å; M479-L512 HydrophobicContact SD-CD2 3.46Å; M479-L512 WeakPolarHBondContact SD-CD2 3.46Å; M479-L512 HydrophobicContact SD-CG 4.41Å
480C93.4Very high94.7Very high108 Ų10863.9 Ų63.973%0.7334%0.337SS*.THydrogen-bonded Turntrans50.836.3-178.8-56.30000114.1A476 R477A476-C480 PolarHBondContact O-N 3.11Å; R477-C480 WeakPolarHBondContact O-CA 3.46Å; R477-C480 PolarHBondContact O-N 3.06Å
481I93.7Very high95.1Very high14 Ų1461.5 Ų61.57%0.07232%0.319CS..  trans-74.6124.7178.6-65.4178.6000109A476 M479 F483 I488 Q509 L512 L513A476-I481 HydrophobicContact CB-CB 4.25Å; A476-I481 HydrophobicContact CB-CD1 4.46Å; A476-I481 WeakPolarHBondContact O-CB 3.28Å; A476-I481 PolarHBondContact O-N 3.26Å; M479-I481 HydrophobicContact CB-CD1 4.22Å; M479-I481 HydrophobicContact CB-CG1 4.07Å; M479-I481 PolarHBondContact O-N 3.09Å; I481-F483 HydrophobicContact CG2-CB 4.24Å; I481-F483 HydrophobicContact CG2-CD2 4.19Å; I481-F483 PolarHBondContact O-N 3.2Å; I481-I488 HydrophobicContact CG2-CD1 4.27Å; I481-Q509 HydrophobicContact CG1-CG 4.39Å; I481-L512 HydrophobicContact CD1-CD2 3.84Å; I481-L512 HydrophobicContact CD1-CG 4.26Å; I481-L513 HydrophobicContact CD1-CD2 4.3Å; I481-L513 HydrophobicContact CD1-CG 4.11Å; I481-L513 HydrophobicContact CG2-CD2 3.75Å; I481-L513 HydrophobicContact CG2-CG 4.47Å
482P93.2Very high95.3Very high86 Ų8657.6 Ų57.656%0.55831%0.313SS*.SBendtrans-79.226.1-17534.4-37.3000113.8F505P482-F505 HydrophobicContact CG-CZ 4.25Å
483F93.6Very high95.3Very high38 Ų3860.9 Ų60.917%0.16733%0.333CS..SBendtrans-141132.7-177.5-55.6-73.5000110.1I481 I488 M491 V499 H503 F505I481-F483 HydrophobicContact CG2-CB 4.24Å; I481-F483 HydrophobicContact CG2-CD2 4.19Å; I481-F483 PolarHBondContact O-N 3.2Å; F483-I488 HydrophobicContact CB-CD1 4.1Å; F483-I488 HydrophobicContact CB-CG1 3.76Å; F483-I488 WeakPolarHBondContact O-CD1 3.39Å; F483-M491 HydrophobicContact CD1-CE 4.2Å; F483-M491 HydrophobicContact CE1-CE 4.18Å; F483-V499 HydrophobicContact CD2-CG1 4.21Å; F483-V499 HydrophobicContact CE2-CG1 3.39Å; F483-V499 HydrophobicContact CE2-CG2 4.45Å; F483-V499 HydrophobicContact CZ-CG1 3.72Å; F483-V499 HydrophobicContact CZ-CG2 3.92Å; F483-H503 AromaticContact CZ-NE2 3.84Å; F483-F505 HydrophobicContact CD2-CZ 4.3Å; F483-F505 HydrophobicContact CE2-CE2 4.31Å; F483-F505 AromaticContact CE2-CZ 3.94Å; F483-F505 HydrophobicContact CE2-CZ 3.94Å
484S95.8Very high95.4Very high33 Ų3365.2 Ų65.223%0.23135%0.353CS..  trans-70.2157.617264.80000111.9L486 Q487 I488S484-L486 PolarHBondContact O-N 3.19Å; S484-Q487 PolarHBondContact O-N 3.43Å; S484-Q487 VanDerWaalsContact O-N 3.12Å; S484-Q487 WeakPolarHBondContact OG-CG 3.32Å; S484-Q487 PolarHBondContact OG-N 3.02Å; S484-Q487 PolarHBondContact OG-OE1 2.87Å; S484-I488 WeakPolarHBondContact O-CD1 3.48Å; S484-I488 VanDerWaalsContact O-CG1 3.29Å; S484-I488 WeakPolarHBondContact O-CG1 3.44Å; S484-I488 PolarHBondContact O-N 3.34Å
485V96.7Very high95.5Very high24 Ų2466.4 Ų66.415%0.14536%0.357CS..Hα-helixtrans-54.1-38.8173.4169.40000111.4D472 E473 I488 V489 I516D472-V485 VanDerWaalsContact C-CG2 3.43Å; D472-V485 HydrophobicContact CB-CG2 3.93Å; E473-V485 HydrophobicContact CB-CG2 3.86Å; E473-V485 WeakPolarHBondContact OE2-CB 3.49Å; E473-V485 WeakPolarHBondContact OE2-CG2 3.26Å; E473-V485 PolarHBondContact OE2-N 3.13Å; V485-I488 PolarHBondContact O-N 3.19Å; V485-V489 HydrophobicContact CG1-CG2 4.16Å; V485-V489 VanDerWaalsContact O-CB 3.29Å; V485-V489 WeakPolarHBondContact O-CB 3.41Å; V485-V489 WeakPolarHBondContact O-CG2 3.42Å; V485-V489 PolarHBondContact O-N 3.3Å; V485-I516 HydrophobicContact CB-CG2 4.15Å; V485-I516 HydrophobicContact CG1-CG2 3.87Å; V485-I516 HydrophobicContact CG2-CD1 4.41Å; V485-I516 HydrophobicContact CG2-CG2 3.81Å
486L95.6Very high95.5Very high121 Ų12161 Ų6163%0.63434%0.337SS*.Hα-helixtrans-65.5-42.1-179.7-172.463.2000111.5S484 N490S484-L486 PolarHBondContact O-N 3.19Å; L486-N490 WeakPolarHBondContact CD1-ND2 3.48Å; L486-N490 VanDerWaalsContact O-CB 3.28Å; L486-N490 WeakPolarHBondContact O-CB 3.31Å; L486-N490 PolarHBondContact O-N 2.98Å
487Q96.9Very high95.6Very high103 Ų10364.8 Ų64.848%0.48136%0.355SS..Hα-helixtrans-63.9-53.2173.2-72.3159.6-50.500110.7S484 V489 N490 M491S484-Q487 PolarHBondContact O-N 3.43Å; S484-Q487 VanDerWaalsContact O-N 3.12Å; S484-Q487 WeakPolarHBondContact OG-CG 3.32Å; S484-Q487 PolarHBondContact OG-N 3.02Å; S484-Q487 PolarHBondContact OG-OE1 2.87Å; Q487-V489 PolarHBondContact O-N 2.88Å; Q487-V489 VanDerWaalsContact O-N 3.09Å; Q487-N490 PolarHBondContact O-N 2.98Å; Q487-M491 WeakPolarHBondContact O-CB 3.44Å; Q487-M491 PolarHBondContact O-N 3.31Å
488I96.5Very high95.6Very high1 Ų166 Ų661%0.00537%0.366CS..Hα-helixtrans-52.5-36.7179.3-67.3160.5000112I481 F483 S484 V485 F496 L513 I516 R517I481-I488 HydrophobicContact CG2-CD1 4.27Å; F483-I488 HydrophobicContact CB-CD1 4.1Å; F483-I488 HydrophobicContact CB-CG1 3.76Å; F483-I488 WeakPolarHBondContact O-CD1 3.39Å; S484-I488 WeakPolarHBondContact O-CD1 3.48Å; S484-I488 VanDerWaalsContact O-CG1 3.29Å; S484-I488 WeakPolarHBondContact O-CG1 3.44Å; S484-I488 PolarHBondContact O-N 3.34Å; V485-I488 PolarHBondContact O-N 3.19Å; I488-F496 HydrophobicContact CG2-CE2 4.18Å; I488-L513 HydrophobicContact CD1-CD2 3.64Å; I488-L513 HydrophobicContact CG1-CD2 3.76Å; I488-L513 HydrophobicContact CG2-CD2 4.34Å; I488-I516 HydrophobicContact CB-CG2 4.16Å; I488-I516 HydrophobicContact CD1-CD1 4.41Å; I488-I516 HydrophobicContact CD1-CG2 4.26Å; I488-I516 HydrophobicContact CG2-CB 4.11Å; I488-I516 HydrophobicContact CG2-CG2 3.7Å; I488-R517 HydrophobicContact CG2-CB 3.86Å; I488-R517 WeakPolarHBondContact O-CG 3.39Å; I488-R517 PolarHBondContact O-NH1 3.41Å
489V97.3Very high95.5Very high8 Ų862.6 Ų62.65%0.04834%0.336CS..Hα-helixtrans-82.4-33.3-179.7172.90000112.8V485 Q487 I516 K521 L524V485-V489 HydrophobicContact CG1-CG2 4.16Å; V485-V489 VanDerWaalsContact O-CB 3.29Å; V485-V489 WeakPolarHBondContact O-CB 3.41Å; V485-V489 WeakPolarHBondContact O-CG2 3.42Å; V485-V489 PolarHBondContact O-N 3.3Å; Q487-V489 PolarHBondContact O-N 2.88Å; Q487-V489 VanDerWaalsContact O-N 3.09Å; V489-I516 HydrophobicContact CG2-CG2 4.42Å; V489-K521 HydrophobicContact CG1-CD 4.47Å; V489-K521 WeakPolarHBondContact O-CD 3.44Å; V489-K521 WeakPolarHBondContact O-CE 3.43Å; V489-K521 PolarHBondContact O-NZ 2.95Å; V489-L524 HydrophobicContact CG1-CD1 3.76Å
490N97.4Very high95.4Very high91 Ų9159.6 Ų59.649%0.48732%0.321SS..Hα-helixtrans-93.8-28.7-174.5-71-14.2000114.6L486 Q487L486-N490 WeakPolarHBondContact CD1-ND2 3.48Å; L486-N490 VanDerWaalsContact O-CB 3.28Å; L486-N490 WeakPolarHBondContact O-CB 3.31Å; L486-N490 PolarHBondContact O-N 2.98Å; Q487-N490 PolarHBondContact O-N 2.98Å
491M96.7Very high95.2Very high14 Ų1460.2 Ų60.27%0.06932%0.318CS..SBendtrans-42.7140.6176.4-178.7-178.3-82.100112.5F483 Q487 E495 F496 V499 R517F483-M491 HydrophobicContact CD1-CE 4.2Å; F483-M491 HydrophobicContact CE1-CE 4.18Å; Q487-M491 WeakPolarHBondContact O-CB 3.44Å; Q487-M491 PolarHBondContact O-N 3.31Å; M491-E495 HydrophobicContact CE-CG 4.36Å; M491-E495 WeakPolarHBondContact CE-OE1 3.15Å; M491-E495 HydrophobicContact CG-CB 3.85Å; M491-E495 HydrophobicContact CG-CG 3.8Å; M491-E495 HydrophobicContact SD-CG 4.19Å; M491-F496 HydrophobicContact CG-CB 4.04Å; M491-F496 VanDerWaalsContact SD-CA 3.5Å; M491-F496 HydrophobicContact SD-CB 3.73Å; M491-F496 HydrophobicContact SD-CD2 3.86Å; M491-F496 HydrophobicContact SD-CG 4.31Å; M491-V499 HydrophobicContact CE-CG2 4.14Å; M491-V499 HydrophobicContact SD-CG2 4.27Å; M491-R517 VanDerWaalsContact O-CZ 3.27Å; M491-R517 PolarHBondContact O-NH1 2.96Å; M491-R517 PolarHBondContact O-NH2 2.98Å
492P96.8Very high94.5Very high65 Ų6563.7 Ų63.742%0.42234%0.343SS..  trans-48.8165.7169.2-27.235.3000113.3E495 F496 R517P492-E495 HydrophobicContact CB-CB 4.12Å; P492-E495 WeakPolarHBondContact CD-OE2 3.38Å; P492-E495 HydrophobicContact CG-CB 4.26Å; P492-F496 WeakPolarHBondContact O-CB 3.42Å; P492-F496 PolarHBondContact O-N 2.92Å; P492-R517 VanDerWaalsContact C-NH2 3.3Å; P492-R517 PolarHBondContact O-NH2 3.33Å
493V96.2Very high93.4Very high82 Ų8263.4 Ų63.450%0.49733%0.334SS..Hα-helixtrans-80.7-30.3178.364.90000111.4M497V493-M497 WeakPolarHBondContact O-CB 3.47Å; V493-M497 VanDerWaalsContact O-CG 3.27Å; V493-M497 WeakPolarHBondContact O-CG 3.47Å; V493-M497 PolarHBondContact O-N 3.45Å
494E96.6Very high92.8Very high121 Ų12167.8 Ų67.857%0.56537%0.37SS*.Hα-helixtrans-62.3-64174.1-59.468.8-154.500109.7F496 M497 E498E494-F496 PolarHBondContact O-N 3.09Å; E494-M497 PolarHBondContact O-N 2.96Å; E494-E498 PolarHBondContact O-N 3.43Å
495E95.9Very high92.6Very high92 Ų9267.9 Ų67.943%0.4337%0.366SS..Hα-helixtrans-54-39175.8-171.7-171.415000112.2M491 P492 E498 V499M491-E495 HydrophobicContact CE-CG 4.36Å; M491-E495 WeakPolarHBondContact CE-OE1 3.15Å; M491-E495 HydrophobicContact CG-CB 3.85Å; M491-E495 HydrophobicContact CG-CG 3.8Å; M491-E495 HydrophobicContact SD-CG 4.19Å; P492-E495 HydrophobicContact CB-CB 4.12Å; P492-E495 WeakPolarHBondContact CD-OE2 3.38Å; P492-E495 HydrophobicContact CG-CB 4.26Å; E495-E498 PolarHBondContact O-N 2.97Å; E495-V499 WeakPolarHBondContact O-CB 3.48Å; E495-V499 VanDerWaalsContact O-CG2 3.27Å; E495-V499 WeakPolarHBondContact O-CG2 3.17Å; E495-V499 PolarHBondContact O-N 2.82Å
496F96.2Very high92.5Very high12 Ų1269.5 Ų69.55%0.05338%0.378CS..Hα-helixtrans-69.2-35.8177.5-178.7-100.2000113.3I488 M491 P492 E494 L500 L513 R514 R517I488-F496 HydrophobicContact CG2-CE2 4.18Å; M491-F496 HydrophobicContact CG-CB 4.04Å; M491-F496 VanDerWaalsContact SD-CA 3.5Å; M491-F496 HydrophobicContact SD-CB 3.73Å; M491-F496 HydrophobicContact SD-CD2 3.86Å; M491-F496 HydrophobicContact SD-CG 4.31Å; P492-F496 WeakPolarHBondContact O-CB 3.42Å; P492-F496 PolarHBondContact O-N 2.92Å; E494-F496 PolarHBondContact O-N 3.09Å; F496-L500 HydrophobicContact CD1-CD1 4.17Å; F496-L500 HydrophobicContact CE1-CD1 3.52Å; F496-L500 HydrophobicContact CE1-CG 4.09Å; F496-L500 HydrophobicContact CZ-CD1 3.86Å; F496-L500 HydrophobicContact CZ-CD2 4.31Å; F496-L500 HydrophobicContact CZ-CG 4.13Å; F496-L500 WeakPolarHBondContact O-CG 3.24Å; F496-L500 PolarHBondContact O-N 2.97Å; F496-L500 VanDerWaalsContact O-N 3.13Å; F496-L513 HydrophobicContact CE2-CB 4.24Å; F496-L513 HydrophobicContact CZ-CB 4.19Å; F496-R514 HydrophobicContact CE1-CG 4.29Å; F496-R514 HydrophobicContact CZ-CG 4.29Å; F496-R517 VanDerWaalsContact CD1-CD 3.43Å; F496-R517 HydrophobicContact CE2-CB 4.4Å; F496-R517 HydrophobicContact CZ-CB 4.22Å; F496-R517 VanDerWaalsContact CZ-CD 3.45Å
497M95.4Very high92.4Very high80 Ų8067.1 Ų67.139%0.39438%0.376SS..Hα-helixtrans-70.5-43.5173.3-73.7-60.7-54.900110.8V493 E494 V499 L500 D501V493-M497 WeakPolarHBondContact O-CB 3.47Å; V493-M497 VanDerWaalsContact O-CG 3.27Å; V493-M497 WeakPolarHBondContact O-CG 3.47Å; V493-M497 PolarHBondContact O-N 3.45Å; E494-M497 PolarHBondContact O-N 2.96Å; M497-V499 VanDerWaalsContact C-N 3.32Å; M497-V499 PolarHBondContact O-N 2.85Å; M497-L500 PolarHBondContact O-N 3.41Å; M497-D501 WeakPolarHBondContact O-CB 3.42Å; M497-D501 PolarHBondContact O-N 2.76Å
498E94.4Very high92.3Very high134 Ų13467.4 Ų67.463%0.62638%0.381SS*.Hα-helixtrans-57.1-43.8173.5-71.7175.6-16600111.6E494 E495 L500 D501 S502E494-E498 PolarHBondContact O-N 3.43Å; E495-E498 PolarHBondContact O-N 2.97Å; E498-L500 VanDerWaalsContact C-N 3.34Å; E498-L500 PolarHBondContact O-N 3.33Å; E498-D501 PolarHBondContact O-N 3.04Å; E498-S502 WeakPolarHBondContact O-CB 3.37Å; E498-S502 PolarHBondContact O-N 3.19Å; E498-S502 PolarHBondContact O-OG 3.34Å
499V93.1Very high92.2Very high13 Ų1369.3 Ų69.38%0.07939%0.39CS..Hα-helixtrans-61.8-38.5174.5163.60000112.2F483 M491 E495 M497 H503 F505F483-V499 HydrophobicContact CD2-CG1 4.21Å; F483-V499 HydrophobicContact CE2-CG1 3.39Å; F483-V499 HydrophobicContact CE2-CG2 4.45Å; F483-V499 HydrophobicContact CZ-CG1 3.72Å; F483-V499 HydrophobicContact CZ-CG2 3.92Å; M491-V499 HydrophobicContact CE-CG2 4.14Å; M491-V499 HydrophobicContact SD-CG2 4.27Å; E495-V499 WeakPolarHBondContact O-CB 3.48Å; E495-V499 VanDerWaalsContact O-CG2 3.27Å; E495-V499 WeakPolarHBondContact O-CG2 3.17Å; E495-V499 PolarHBondContact O-N 2.82Å; M497-V499 VanDerWaalsContact C-N 3.32Å; M497-V499 PolarHBondContact O-N 2.85Å; V499-H503 WeakPolarHBondContact O-CB 3.38Å; V499-H503 PolarHBondContact O-N 3.04Å; V499-H503 PolarHBondContact O-ND1 3.08Å; V499-F505 HydrophobicContact CG1-CE2 4.01Å
500L92.6Very high92.2Very high11 Ų1170 Ų706%0.05839%0.394CS..Hα-helixtrans-72-31.3176.9-72.5-173.4000113.8F496 M497 E498 V510 L513 R514F496-L500 HydrophobicContact CD1-CD1 4.17Å; F496-L500 HydrophobicContact CE1-CD1 3.52Å; F496-L500 HydrophobicContact CE1-CG 4.09Å; F496-L500 HydrophobicContact CZ-CD1 3.86Å; F496-L500 HydrophobicContact CZ-CD2 4.31Å; F496-L500 HydrophobicContact CZ-CG 4.13Å; F496-L500 WeakPolarHBondContact O-CG 3.24Å; F496-L500 PolarHBondContact O-N 2.97Å; F496-L500 VanDerWaalsContact O-N 3.13Å; M497-L500 PolarHBondContact O-N 3.41Å; E498-L500 VanDerWaalsContact C-N 3.34Å; E498-L500 PolarHBondContact O-N 3.33Å; L500-V510 HydrophobicContact CD1-CG1 4.46Å; L500-V510 HydrophobicContact CD2-CB 4.42Å; L500-V510 HydrophobicContact CD2-CG1 4.13Å; L500-V510 HydrophobicContact CD2-CG2 4.28Å; L500-L513 HydrophobicContact CD2-CB 4Å; L500-L513 HydrophobicContact CD2-CD1 3.59Å; L500-L513 HydrophobicContact CD2-CG 4.43Å; L500-R514 HydrophobicContact CD1-CG 3.89Å
501D89.1Confident92.1Very high122 Ų12269.7 Ų69.765%0.65240%0.396SS*.Hα-helixtrans-95.4-23.8-174.3-65.7-19.1000112.9M497 E498M497-D501 WeakPolarHBondContact O-CB 3.42Å; M497-D501 PolarHBondContact O-N 2.76Å; E498-D501 PolarHBondContact O-N 3.04Å
502S79Confident92.1Very high87 Ų8769.9 Ų69.961%0.60840%0.397SS*.Hα-helixtrans-93.9-30.9-179.363.90000114.7E498E498-S502 WeakPolarHBondContact O-CB 3.37Å; E498-S502 PolarHBondContact O-N 3.19Å; E498-S502 PolarHBondContact O-OG 3.34Å
503H69.3Low92.1Very high80 Ų8066.9 Ų66.937%0.3738%0.377SS..SBendtrans-90.4139.2-178.1-67.851.8000110.2F483 V499 F505F483-H503 AromaticContact CZ-NE2 3.84Å; V499-H503 WeakPolarHBondContact O-CB 3.38Å; V499-H503 PolarHBondContact O-N 3.04Å; V499-H503 PolarHBondContact O-ND1 3.08Å; H503-F505 HydrophobicContact CB-CD2 3.56Å; H503-F505 HydrophobicContact CB-CE2 3.39Å; H503-F505 HydrophobicContact CB-CG 4.34Å; H503-F505 HydrophobicContact CB-CZ 4.06Å; H503-F505 AromaticContact CG-CE2 3.92Å; H503-F505 PolarHBondContact O-N 3.03Å
504S81.8Confident92.1Very high130 Ų13068.9 Ų68.991%0.90938%0.376SS*.  trans-76.355.3-179.462.50000113
505F91.8Very high92.1Very high35 Ų3565.5 Ų65.515%0.15436%0.361CS..  trans-74.3143.1176.8-72.2-57.5000111.9P482 F483 V499 H503 Q509 V510 L513P482-F505 HydrophobicContact CG-CZ 4.25Å; F483-F505 HydrophobicContact CD2-CZ 4.3Å; F483-F505 HydrophobicContact CE2-CE2 4.31Å; F483-F505 AromaticContact CE2-CZ 3.94Å; F483-F505 HydrophobicContact CE2-CZ 3.94Å; V499-F505 HydrophobicContact CG1-CE2 4.01Å; H503-F505 HydrophobicContact CB-CD2 3.56Å; H503-F505 HydrophobicContact CB-CE2 3.39Å; H503-F505 HydrophobicContact CB-CG 4.34Å; H503-F505 HydrophobicContact CB-CZ 4.06Å; H503-F505 AromaticContact CG-CE2 3.92Å; H503-F505 PolarHBondContact O-N 3.03Å; F505-Q509 HydrophobicContact CB-CB 4.02Å; F505-Q509 HydrophobicContact CD1-CB 3.98Å; F505-Q509 HydrophobicContact CD1-CG 4.46Å; F505-Q509 HydrophobicContact CG-CB 4.3Å; F505-V510 HydrophobicContact CB-CG2 3.7Å; F505-L513 HydrophobicContact CD2-CD1 3.8Å; F505-L513 HydrophobicContact CE1-CD1 4.45Å; F505-L513 HydrophobicContact CE2-CD1 3.7Å; F505-L513 HydrophobicContact CG-CD1 4.22Å; F505-L513 HydrophobicContact CZ-CD1 4.05Å
506S93.3Very high92.2Very high57 Ų5761.1 Ų61.140%0.39934%0.341SS..  trans-61.5152.8165.11790000110.9D508 Q509 V510S506-D508 PolarHBondContact O-N 3.35Å; S506-D508 VanDerWaalsContact O-N 3.14Å; S506-D508 PolarHBondContact OG-N 2.99Å; S506-Q509 WeakPolarHBondContact O-CB 3.48Å; S506-Q509 PolarHBondContact O-N 3.23Å; S506-V510 WeakPolarHBondContact O-CG2 3.43Å; S506-V510 PolarHBondContact O-N 3.19Å
507A93.4Very high92.3Very high72 Ų7261.8 Ų61.860%0.59534%0.343SS*.Hα-helixtrans-53.8-32.9173.300000112.7T511A507-T511 VanDerWaalsContact O-CB 3.31Å; A507-T511 WeakPolarHBondContact O-CB 3.35Å; A507-T511 PolarHBondContact O-N 3.4Å; A507-T511 PolarHBondContact O-OG1 3.43Å
508D95.1Very high92.4Very high109 Ų10965.3 Ų65.358%0.58335%0.352SS*.Hα-helixtrans-70.7-39.2176.2-58.2-45.5000112.3M479 S506 T511 L512M479-D508 HydrophobicContact CE-CB 4.48Å; S506-D508 PolarHBondContact O-N 3.35Å; S506-D508 VanDerWaalsContact O-N 3.14Å; S506-D508 PolarHBondContact OG-N 2.99Å; D508-T511 PolarHBondContact O-N 3.11Å; D508-L512 WeakPolarHBondContact O-CB 3.37Å; D508-L512 PolarHBondContact O-N 2.78Å
509Q95.8Very high92.5Very high41 Ų4161.8 Ų61.819%0.19233%0.333CS..Hα-helixtrans-67.7-44.2174.6-74.5167-42.900111.1M479 I481 F505 S506 T511 L512 L513M479-Q509 HydrophobicContact CB-CG 4.15Å; M479-Q509 PolarHBondContact O-NE2 3.22Å; M479-Q509 HydrophobicContact SD-CG 4.14Å; I481-Q509 HydrophobicContact CG1-CG 4.39Å; F505-Q509 HydrophobicContact CB-CB 4.02Å; F505-Q509 HydrophobicContact CD1-CB 3.98Å; F505-Q509 HydrophobicContact CD1-CG 4.46Å; F505-Q509 HydrophobicContact CG-CB 4.3Å; S506-Q509 WeakPolarHBondContact O-CB 3.48Å; S506-Q509 PolarHBondContact O-N 3.23Å; Q509-T511 VanDerWaalsContact C-N 3.29Å; Q509-T511 PolarHBondContact O-N 2.9Å; Q509-L512 PolarHBondContact O-N 3.01Å; Q509-L513 WeakPolarHBondContact O-CB 3.18Å; Q509-L513 WeakPolarHBondContact O-CG 3.25Å; Q509-L513 PolarHBondContact O-N 3.12Å
510V95.6Very high92.7Very high21 Ų2161.8 Ų61.813%0.12734%0.335CS..Hα-helixtrans-59-41.7173.4170.90000111L500 F505 S506 R514L500-V510 HydrophobicContact CD1-CG1 4.46Å; L500-V510 HydrophobicContact CD2-CB 4.42Å; L500-V510 HydrophobicContact CD2-CG1 4.13Å; L500-V510 HydrophobicContact CD2-CG2 4.28Å; F505-V510 HydrophobicContact CB-CG2 3.7Å; S506-V510 WeakPolarHBondContact O-CG2 3.43Å; S506-V510 PolarHBondContact O-N 3.19Å; V510-R514 VanDerWaalsContact O-CG 3.31Å; V510-R514 WeakPolarHBondContact O-CG 3.36Å; V510-R514 PolarHBondContact O-N 3.44Å; V510-R514 VanDerWaalsContact O-N 3.15Å
511T95.9Very high93Very high86 Ų8665.6 Ų65.653%0.52835%0.352SS..Hα-helixtrans-63.7-49.4175.4-60.50000110.5A507 D508 Q509 L513 R514 D515A507-T511 VanDerWaalsContact O-CB 3.31Å; A507-T511 WeakPolarHBondContact O-CB 3.35Å; A507-T511 PolarHBondContact O-N 3.4Å; A507-T511 PolarHBondContact O-OG1 3.43Å; D508-T511 PolarHBondContact O-N 3.11Å; Q509-T511 VanDerWaalsContact C-N 3.29Å; Q509-T511 PolarHBondContact O-N 2.9Å; T511-L513 PolarHBondContact O-N 2.9Å; T511-R514 PolarHBondContact O-N 3.31Å; T511-D515 WeakPolarHBondContact O-CB 3.28Å; T511-D515 PolarHBondContact O-N 3.42Å
512L96.3Very high93.4Very high18 Ų1865.2 Ų65.29%0.09435%0.35CS..Hα-helixtrans-59.7-46.2178-179.360.5000112.1R475 M479 I481 D508 Q509 R514 D515 I516R475-L512 HydrophobicContact CB-CD1 4.36Å; R475-L512 HydrophobicContact CB-CD2 4.16Å; M479-L512 HydrophobicContact CB-CD2 4.24Å; M479-L512 HydrophobicContact CE-CD2 4.22Å; M479-L512 HydrophobicContact CG-CD2 3.93Å; M479-L512 HydrophobicContact SD-CB 4.12Å; M479-L512 HydrophobicContact SD-CD2 3.46Å; M479-L512 WeakPolarHBondContact SD-CD2 3.46Å; M479-L512 HydrophobicContact SD-CG 4.41Å; I481-L512 HydrophobicContact CD1-CD2 3.84Å; I481-L512 HydrophobicContact CD1-CG 4.26Å; D508-L512 WeakPolarHBondContact O-CB 3.37Å; D508-L512 PolarHBondContact O-N 2.78Å; Q509-L512 PolarHBondContact O-N 3.01Å; L512-R514 PolarHBondContact O-N 3.24Å; L512-D515 PolarHBondContact O-N 3.41Å; L512-D515 VanDerWaalsContact O-N 3.11Å; L512-I516 HydrophobicContact CD1-CD1 3.83Å; L512-I516 HydrophobicContact CD1-CG1 3.86Å; L512-I516 HydrophobicContact CD2-CD1 4.3Å; L512-I516 HydrophobicContact CG-CD1 3.71Å; L512-I516 HydrophobicContact CG-CG1 4.17Å; L512-I516 WeakPolarHBondContact O-CB 3.39Å; L512-I516 VanDerWaalsContact O-CG1 3.26Å; L512-I516 WeakPolarHBondContact O-CG1 3.44Å; L512-I516 PolarHBondContact O-N 2.74Å
513L96.6Very high94.2Very high1 Ų167.9 Ų67.91%0.00535%0.35CS..Hα-helixtrans-54.8-50.9176.8-79.8167.6000111.9I481 I488 F496 L500 F505 Q509 T511 D515 R517I481-L513 HydrophobicContact CD1-CD2 4.3Å; I481-L513 HydrophobicContact CD1-CG 4.11Å; I481-L513 HydrophobicContact CG2-CD2 3.75Å; I481-L513 HydrophobicContact CG2-CG 4.47Å; I488-L513 HydrophobicContact CD1-CD2 3.64Å; I488-L513 HydrophobicContact CG1-CD2 3.76Å; I488-L513 HydrophobicContact CG2-CD2 4.34Å; F496-L513 HydrophobicContact CE2-CB 4.24Å; F496-L513 HydrophobicContact CZ-CB 4.19Å; L500-L513 HydrophobicContact CD2-CB 4Å; L500-L513 HydrophobicContact CD2-CD1 3.59Å; L500-L513 HydrophobicContact CD2-CG 4.43Å; F505-L513 HydrophobicContact CD2-CD1 3.8Å; F505-L513 HydrophobicContact CE1-CD1 4.45Å; F505-L513 HydrophobicContact CE2-CD1 3.7Å; F505-L513 HydrophobicContact CG-CD1 4.22Å; F505-L513 HydrophobicContact CZ-CD1 4.05Å; Q509-L513 WeakPolarHBondContact O-CB 3.18Å; Q509-L513 WeakPolarHBondContact O-CG 3.25Å; Q509-L513 PolarHBondContact O-N 3.12Å; T511-L513 PolarHBondContact O-N 2.9Å; L513-D515 VanDerWaalsContact C-N 3.28Å; L513-D515 PolarHBondContact O-N 3.37Å; L513-R517 WeakPolarHBondContact O-CB 3.23Å; L513-R517 PolarHBondContact O-N 3.19Å
514R96.8Very high95.5Very high124 Ų12467.2 Ų67.247%0.46835%0.349SS..Hα-helixtrans-59.6-40.7176.6-71.9171177.4167.12.9111.2F496 L500 V510 T511 L512 R518F496-R514 HydrophobicContact CE1-CG 4.29Å; F496-R514 HydrophobicContact CZ-CG 4.29Å; L500-R514 HydrophobicContact CD1-CG 3.89Å; V510-R514 VanDerWaalsContact O-CG 3.31Å; V510-R514 WeakPolarHBondContact O-CG 3.36Å; V510-R514 PolarHBondContact O-N 3.44Å; V510-R514 VanDerWaalsContact O-N 3.15Å; T511-R514 PolarHBondContact O-N 3.31Å; L512-R514 PolarHBondContact O-N 3.24Å; R514-R518 WeakPolarHBondContact O-CB 3.39Å; R514-R518 PolarHBondContact O-N 2.9Å
515D97.6Very high96.3Very high50 Ų5063.8 Ų63.827%0.26733%0.328SS..Hα-helixtrans-75.3-36.9-175.5-131.831.8000113.4T511 L512 L513 R518 R519T511-D515 WeakPolarHBondContact O-CB 3.28Å; T511-D515 PolarHBondContact O-N 3.42Å; L512-D515 PolarHBondContact O-N 3.41Å; L512-D515 VanDerWaalsContact O-N 3.11Å; L513-D515 VanDerWaalsContact C-N 3.28Å; L513-D515 PolarHBondContact O-N 3.37Å; D515-R518 IonicContact OD1-CZ 3.28Å; D515-R518 IonicContact OD1-NE 3.04Å; D515-R518 PolarHBondContact OD1-NE 3.32Å; D515-R518 IonicContact OD1-NH2 3.47Å; D515-R518 PolarHBondContact OD1-NH2 3.4Å; D515-R518 IonicContact OD2-NH2 2.8Å; D515-R519 WeakPolarHBondContact O-CB 3.43Å; D515-R519 WeakPolarHBondContact O-CG 3.43Å; D515-R519 PolarHBondContact O-N 3.04Å; D515-R519 IonicContact OD2-CZ 3.43Å; D515-R519 IonicContact OD2-NH1 3.53Å; D515-R519 PolarHBondContact OD2-NH1 3.15Å
516I97.1Very high96.6Very high1 Ų164 Ų641%0.00534%0.337CS..Hα-helixtrans-60.4-52.8169.8-70.3176.9000109.7D472 A476 V485 I488 V489 L512 R518 R519 G520D472-I516 HydrophobicContact CB-CD1 4.38Å; D472-I516 HydrophobicContact CB-CG1 3.99Å; D472-I516 WeakPolarHBondContact O-CD1 3.45Å; A476-I516 HydrophobicContact CB-CD1 4.1Å; V485-I516 HydrophobicContact CB-CG2 4.15Å; V485-I516 HydrophobicContact CG1-CG2 3.87Å; V485-I516 HydrophobicContact CG2-CD1 4.41Å; V485-I516 HydrophobicContact CG2-CG2 3.81Å; I488-I516 HydrophobicContact CB-CG2 4.16Å; I488-I516 HydrophobicContact CD1-CD1 4.41Å; I488-I516 HydrophobicContact CD1-CG2 4.26Å; I488-I516 HydrophobicContact CG2-CB 4.11Å; I488-I516 HydrophobicContact CG2-CG2 3.7Å; V489-I516 HydrophobicContact CG2-CG2 4.42Å; L512-I516 HydrophobicContact CD1-CD1 3.83Å; L512-I516 HydrophobicContact CD1-CG1 3.86Å; L512-I516 HydrophobicContact CD2-CD1 4.3Å; L512-I516 HydrophobicContact CG-CD1 3.71Å; L512-I516 HydrophobicContact CG-CG1 4.17Å; L512-I516 WeakPolarHBondContact O-CB 3.39Å; L512-I516 VanDerWaalsContact O-CG1 3.26Å; L512-I516 WeakPolarHBondContact O-CG1 3.44Å; L512-I516 PolarHBondContact O-N 2.74Å; I516-R518 VanDerWaalsContact C-N 3.34Å; I516-R518 PolarHBondContact O-N 3.45Å; I516-R519 PolarHBondContact O-N 3.38Å; I516-G520 PolarHBondContact O-N 3.15Å
517R97.8Very high96.9Very high26 Ų2666.2 Ų66.210%0.09834%0.341CS..Hα-helixtrans-57.2-47.1178.6-174.6171.3177.286.4-10111.5I488 M491 P492 F496 L513 G520 K521I488-R517 HydrophobicContact CG2-CB 3.86Å; I488-R517 WeakPolarHBondContact O-CG 3.39Å; I488-R517 PolarHBondContact O-NH1 3.41Å; M491-R517 VanDerWaalsContact O-CZ 3.27Å; M491-R517 PolarHBondContact O-NH1 2.96Å; M491-R517 PolarHBondContact O-NH2 2.98Å; P492-R517 VanDerWaalsContact C-NH2 3.3Å; P492-R517 PolarHBondContact O-NH2 3.33Å; F496-R517 VanDerWaalsContact CD1-CD 3.43Å; F496-R517 HydrophobicContact CE2-CB 4.4Å; F496-R517 HydrophobicContact CZ-CB 4.22Å; F496-R517 VanDerWaalsContact CZ-CD 3.45Å; L513-R517 WeakPolarHBondContact O-CB 3.23Å; L513-R517 PolarHBondContact O-N 3.19Å; R517-G520 PolarHBondContact O-N 3.29Å; R517-K521 HydrophobicContact CG-CG 4.46Å; R517-K521 WeakPolarHBondContact O-CB 3.3Å; R517-K521 WeakPolarHBondContact O-CG 3.31Å; R517-K521 PolarHBondContact O-N 3.01Å
518R97.9Very high97.1Very high153 Ų15367 Ų6758%0.57734%0.335SS*.Hα-helixtrans-59.1-47.4177.1-176.2179.670.489-5.2112.1R514 D515 I516 N522R514-R518 WeakPolarHBondContact O-CB 3.39Å; R514-R518 PolarHBondContact O-N 2.9Å; D515-R518 IonicContact OD1-CZ 3.28Å; D515-R518 IonicContact OD1-NE 3.04Å; D515-R518 PolarHBondContact OD1-NE 3.32Å; D515-R518 IonicContact OD1-NH2 3.47Å; D515-R518 PolarHBondContact OD1-NH2 3.4Å; D515-R518 IonicContact OD2-NH2 2.8Å; I516-R518 VanDerWaalsContact C-N 3.34Å; I516-R518 PolarHBondContact O-N 3.45Å; R518-N522 WeakPolarHBondContact O-CB 3.21Å; R518-N522 PolarHBondContact O-N 3.15Å
519R97.7Very high97.3Very high61 Ų6166 Ų6623%0.2334%0.335CS..Hα-helixtrans-64.4-44.8177.1-78.2-168.3-70.3-82.92.7112.3D472 D515 I516 N522 K523D472-R519 IonicContact OD1-CZ 2.82Å; D472-R519 IonicContact OD1-NE 3.58Å; D472-R519 PolarHBondContact OD1-NE 3.03Å; D472-R519 IonicContact OD1-NH2 3.18Å; D472-R519 PolarHBondContact OD1-NH2 3.24Å; D472-R519 IonicContact OD2-CZ 3.37Å; D472-R519 IonicContact OD2-NE 3.75Å; D472-R519 PolarHBondContact OD2-NE 3.34Å; D472-R519 IonicContact OD2-NH2 2.72Å; D472-R519 PolarHBondContact OD2-NH2 2.81Å; D515-R519 WeakPolarHBondContact O-CB 3.43Å; D515-R519 WeakPolarHBondContact O-CG 3.43Å; D515-R519 PolarHBondContact O-N 3.04Å; D515-R519 IonicContact OD2-CZ 3.43Å; D515-R519 IonicContact OD2-NH1 3.53Å; D515-R519 PolarHBondContact OD2-NH1 3.15Å; I516-R519 PolarHBondContact O-N 3.38Å; R519-N522 PolarHBondContact O-N 3.31Å; R519-K523 PolarHBondContact O-N 3.28Å
520G97.1Very high97.4Very high12 Ų1272.7 Ų72.712%0.12436%0.359CS..Hα-helixtrans-66.5-45.5179.400000113.4I516 R517 N522 K523 L524I516-G520 PolarHBondContact O-N 3.15Å; R517-G520 PolarHBondContact O-N 3.29Å; G520-N522 VanDerWaalsContact C-N 3.27Å; G520-N522 PolarHBondContact O-N 2.91Å; G520-K523 WeakPolarHBondContact O-CB 3.12Å; G520-K523 PolarHBondContact O-N 2.9Å; G520-L524 WeakPolarHBondContact O-CG 3.25Å; G520-L524 PolarHBondContact O-N 3.5Å
521K97.3Very high97.6Very high92 Ų9277.5 Ų77.540%0.438%0.378SS..Hα-helixtrans-60.4-36.9173.2-67.1-63.2-160.9-161.50111.4V489 R517 L524 A525V489-K521 HydrophobicContact CG1-CD 4.47Å; V489-K521 WeakPolarHBondContact O-CD 3.44Å; V489-K521 WeakPolarHBondContact O-CE 3.43Å; V489-K521 PolarHBondContact O-NZ 2.95Å; R517-K521 HydrophobicContact CG-CG 4.46Å; R517-K521 WeakPolarHBondContact O-CB 3.3Å; R517-K521 WeakPolarHBondContact O-CG 3.31Å; R517-K521 PolarHBondContact O-N 3.01Å; K521-L524 PolarHBondContact O-N 3.49Å; K521-A525 WeakPolarHBondContact O-CB 3.4Å; K521-A525 PolarHBondContact O-N 2.93Å
522N98.1Very high97.7Very high114 Ų11482.4 Ų82.461%0.6139%0.387SS*.Hα-helixtrans-66.4-43.3173.9-174.3-84.3000112.6R518 R519 G520 L524 A525 A526R518-N522 WeakPolarHBondContact O-CB 3.21Å; R518-N522 PolarHBondContact O-N 3.15Å; R519-N522 PolarHBondContact O-N 3.31Å; G520-N522 VanDerWaalsContact C-N 3.27Å; G520-N522 PolarHBondContact O-N 2.91Å; N522-L524 VanDerWaalsContact C-N 3.34Å; N522-L524 PolarHBondContact O-N 3.5Å; N522-A525 PolarHBondContact O-N 3.18Å; N522-A526 WeakPolarHBondContact O-CB 3.42Å; N522-A526 PolarHBondContact O-N 3.44Å
523K96.9Very high97.8Very high143 Ų14388.7 Ų88.762%0.62241%0.414SS*.Hα-helixtrans-56.6-46.9173.7-175.6-178.8178.5-177.40111.4R519 G520 A526 Q527R519-K523 PolarHBondContact O-N 3.28Å; G520-K523 WeakPolarHBondContact O-CB 3.12Å; G520-K523 PolarHBondContact O-N 2.9Å; K523-A526 PolarHBondContact O-N 3.03Å; K523-Q527 WeakPolarHBondContact O-CG 3.46Å; K523-Q527 PolarHBondContact O-N 3.41Å
524L96.9Very high97.9Very high65 Ų6593.9 Ų93.934%0.3444%0.441SS..Hα-helixtrans-64.6-40.5175.9-67.9172.3000112.2V489 G520 K521 N522 Q527 N528V489-L524 HydrophobicContact CG1-CD1 3.76Å; G520-L524 WeakPolarHBondContact O-CG 3.25Å; G520-L524 PolarHBondContact O-N 3.5Å; K521-L524 PolarHBondContact O-N 3.49Å; N522-L524 VanDerWaalsContact C-N 3.34Å; N522-L524 PolarHBondContact O-N 3.5Å; L524-Q527 PolarHBondContact O-N 2.91Å; L524-N528 WeakPolarHBondContact O-CB 3.38Å; L524-N528 PolarHBondContact O-N 2.85Å; L524-N528 PolarHBondContact O-ND2 2.79Å
525A97.9Very high98Very high58 Ų5892 Ų9248%0.47944%0.44SS..Hα-helixtrans-64.2-41.1175.800000112.1K521 N522 N528 C529K521-A525 WeakPolarHBondContact O-CB 3.4Å; K521-A525 PolarHBondContact O-N 2.93Å; N522-A525 PolarHBondContact O-N 3.18Å; A525-N528 PolarHBondContact O-N 2.72Å; A525-C529 VanDerWaalsContact O-CB 3.25Å; A525-C529 WeakPolarHBondContact O-CB 3.23Å; A525-C529 PolarHBondContact O-N 2.71Å
526A98.6Very high98.1Very high40 Ų4092.1 Ų92.133%0.33145%0.448SS..Hα-helixtrans-65.9-41.1175.200000112.1N522 K523 C529 R530N522-A526 WeakPolarHBondContact O-CB 3.42Å; N522-A526 PolarHBondContact O-N 3.44Å; K523-A526 PolarHBondContact O-N 3.03Å; A526-C529 PolarHBondContact O-N 2.86Å; A526-R530 WeakPolarHBondContact O-CB 3.22Å; A526-R530 VanDerWaalsContact O-CG 3.29Å; A526-R530 WeakPolarHBondContact O-CG 3.36Å; A526-R530 PolarHBondContact O-N 2.89Å
527Q98.1Very high98.1Very high103 Ų10395.7 Ų95.748%0.48147%0.466SS..Hα-helixtrans-62.2-47.9173.1-75.7174.3-42.800111.6K523 L524 C529 R530 K531K523-Q527 WeakPolarHBondContact O-CG 3.46Å; K523-Q527 PolarHBondContact O-N 3.41Å; L524-Q527 PolarHBondContact O-N 2.91Å; Q527-C529 VanDerWaalsContact C-N 3.34Å; Q527-C529 PolarHBondContact O-N 3.09Å; Q527-R530 PolarHBondContact O-N 3.27Å; Q527-K531 WeakPolarHBondContact O-CB 3.49Å; Q527-K531 PolarHBondContact O-N 3.24Å
528N98.4Very high98.2Very high88 Ų8897.6 Ų97.647%0.47148%0.481SS..Hα-helixtrans-64.5-35.1177.2-77.7-40.4000112.9L524 A525 R532L524-N528 WeakPolarHBondContact O-CB 3.38Å; L524-N528 PolarHBondContact O-N 2.85Å; L524-N528 PolarHBondContact O-ND2 2.79Å; A525-N528 PolarHBondContact O-N 2.72Å; N528-R532 WeakPolarHBondContact O-CB 3.35Å; N528-R532 VanDerWaalsContact O-CG 3.29Å; N528-R532 WeakPolarHBondContact O-CG 3.43Å; N528-R532 PolarHBondContact O-N 3.35Å
529C98.7Very high98.2Very high88 Ų8892 Ų9260%0.59547%0.471SS*.Hα-helixtrans-66.7-44.1174.2-173.90000111.7A525 A526 Q527 K533A525-C529 VanDerWaalsContact O-CB 3.25Å; A525-C529 WeakPolarHBondContact O-CB 3.23Å; A525-C529 PolarHBondContact O-N 2.71Å; A526-C529 PolarHBondContact O-N 2.86Å; Q527-C529 VanDerWaalsContact C-N 3.34Å; Q527-C529 PolarHBondContact O-N 3.09Å; C529-K533 WeakPolarHBondContact O-CB 3.29Å; C529-K533 PolarHBondContact O-N 2.97Å
530R98.7Very high98.3Very high182 Ų18294.6 Ų94.669%0.68749%0.488SS*.Hα-helixtrans-62.4-46.6173.8-71.8171.2-175.3-172.60.6111.4A526 Q527 K533 L534A526-R530 WeakPolarHBondContact O-CB 3.22Å; A526-R530 VanDerWaalsContact O-CG 3.29Å; A526-R530 WeakPolarHBondContact O-CG 3.36Å; A526-R530 PolarHBondContact O-N 2.89Å; Q527-R530 PolarHBondContact O-N 3.27Å; R530-K533 PolarHBondContact O-N 3.02Å; R530-L534 WeakPolarHBondContact O-CG 3.21Å; R530-L534 PolarHBondContact O-N 3.16Å
531K98.5Very high98.4Very high122 Ų12298.9 Ų98.953%0.5351%0.505SS..Hα-helixtrans-56.6-57.6175.9178.6174.2175.5177.10110.8Q527 K533 L534 D535Q527-K531 WeakPolarHBondContact O-CB 3.49Å; Q527-K531 PolarHBondContact O-N 3.24Å; K531-K533 PolarHBondContact O-N 3.06Å; K531-K533 VanDerWaalsContact O-N 3.12Å; K531-L534 CarbonylContact O-C 3.59Å; K531-L534 WeakPolarHBondContact O-CA 3.47Å; K531-L534 WeakPolarHBondContact O-CB 3.25Å; K531-L534 PolarHBondContact O-N 3.24Å; K531-D535 VanDerWaalsContact CE-OD1 3.23Å; K531-D535 WeakPolarHBondContact CE-OD1 3.49Å; K531-D535 WeakPolarHBondContact CE-OD2 3.45Å; K531-D535 WeakPolarHBondContact CG-OD1 3.47Å; K531-D535 WeakPolarHBondContact CG-OD2 3.48Å; K531-D535 PolarHBondContact O-N 3.46Å
532R98.8Very high98.4Very high190 Ų190100.3 Ų100.372%0.71751%0.513SS*.Hα-helixtrans-55.7-33.8179.1-72.4175.5-173.71801.6113.3N528 A536N528-R532 WeakPolarHBondContact O-CB 3.35Å; N528-R532 VanDerWaalsContact O-CG 3.29Å; N528-R532 WeakPolarHBondContact O-CG 3.43Å; N528-R532 PolarHBondContact O-N 3.35Å; R532-A536 WeakPolarHBondContact O-CB 3.44Å; R532-A536 PolarHBondContact O-N 2.97Å
533K98.8Very high98.5Very high150 Ų15098.6 Ų98.665%0.65250%0.502SS*.Hα-helixtrans-69.6-39.4174.7-173.6177.7178.1-1760112.1C529 R530 K531 I537C529-K533 WeakPolarHBondContact O-CB 3.29Å; C529-K533 PolarHBondContact O-N 2.97Å; R530-K533 PolarHBondContact O-N 3.02Å; K531-K533 PolarHBondContact O-N 3.06Å; K531-K533 VanDerWaalsContact O-N 3.12Å; K533-I537 HydrophobicContact CG-CD1 4.11Å; K533-I537 WeakPolarHBondContact O-CD1 3.27Å; K533-I537 VanDerWaalsContact O-CG1 3.23Å; K533-I537 WeakPolarHBondContact O-CG1 3.34Å; K533-I537 PolarHBondContact O-N 3.22Å; K533-I537 VanDerWaalsContact O-N 3.08Å
534L98.8Very high98.6Very high110 Ų11095.3 Ų95.358%0.57649%0.493SS*.Hα-helixtrans-68.8-49.9174.6-68.2170.3000111R530 K531 A536 I537 T538R530-L534 WeakPolarHBondContact O-CG 3.21Å; R530-L534 PolarHBondContact O-N 3.16Å; K531-L534 CarbonylContact O-C 3.59Å; K531-L534 WeakPolarHBondContact O-CA 3.47Å; K531-L534 WeakPolarHBondContact O-CB 3.25Å; K531-L534 PolarHBondContact O-N 3.24Å; L534-A536 PolarHBondContact O-N 3.13Å; L534-I537 WeakPolarHBondContact O-CA 3.23Å; L534-I537 PolarHBondContact O-N 2.93Å; L534-T538 PolarHBondContact O-N 3.12Å; L534-T538 PolarHBondContact O-OG1 2.93Å
535D98.7Very high98.6Very high83 Ų8398 Ų9844%0.44450%0.504SS..Hα-helixtrans-50.7-43.5175.2-57.2-15.5000111K531 G539K531-D535 VanDerWaalsContact CE-OD1 3.23Å; K531-D535 WeakPolarHBondContact CE-OD1 3.49Å; K531-D535 WeakPolarHBondContact CE-OD2 3.45Å; K531-D535 WeakPolarHBondContact CG-OD1 3.47Å; K531-D535 WeakPolarHBondContact CG-OD2 3.48Å; K531-D535 PolarHBondContact O-N 3.46Å; D535-G539 PolarHBondContact O-N 3.29Å
536A98.8Very high98.7Very high54 Ų54100.6 Ų100.645%0.44650%0.502SS..Hα-helixtrans-73.1-29.1177.600000114.2R532 L534 L540R532-A536 WeakPolarHBondContact O-CB 3.44Å; R532-A536 PolarHBondContact O-N 2.97Å; L534-A536 PolarHBondContact O-N 3.13Å; A536-L540 WeakPolarHBondContact O-CB 3.37Å; A536-L540 WeakPolarHBondContact O-CD1 3.34Å; A536-L540 WeakPolarHBondContact O-CG 3.31Å; A536-L540 PolarHBondContact O-N 3.36Å
537I98.7Very high98.7Very high75 Ų75102.6 Ų102.639%0.38551%0.506SS..Hα-helixtrans-70.4-48172.9-73.9163.2000109.4K533 L534 L540 Q541K533-I537 HydrophobicContact CG-CD1 4.11Å; K533-I537 WeakPolarHBondContact O-CD1 3.27Å; K533-I537 VanDerWaalsContact O-CG1 3.23Å; K533-I537 WeakPolarHBondContact O-CG1 3.34Å; K533-I537 PolarHBondContact O-N 3.22Å; K533-I537 VanDerWaalsContact O-N 3.08Å; L534-I537 WeakPolarHBondContact O-CA 3.23Å; L534-I537 PolarHBondContact O-N 2.93Å; I537-L540 PolarHBondContact O-N 3.26Å; I537-L540 VanDerWaalsContact O-N 3.16Å; I537-Q541 WeakPolarHBondContact O-CG 3.47Å; I537-Q541 PolarHBondContact O-N 2.9Å
538T98.7Very high98.7Very high67 Ų67103 Ų10341%0.41151%0.508SS..Hα-helixtrans-61.1-47.6179-56.90000111.8L534 L540 Q541 E542L534-T538 PolarHBondContact O-N 3.12Å; L534-T538 PolarHBondContact O-OG1 2.93Å; T538-L540 PolarHBondContact O-N 3.05Å; T538-Q541 WeakPolarHBondContact O-CB 3.17Å; T538-Q541 PolarHBondContact O-N 2.94Å; T538-E542 WeakPolarHBondContact O-CG 3.39Å; T538-E542 PolarHBondContact O-N 3.2Å
539G98.8Very high98.8Very high34 Ų34101.7 Ų101.735%0.35151%0.51SS..Hα-helixtrans-63.3-26.4176.100000114.4D535 E543D535-G539 PolarHBondContact O-N 3.29Å; G539-E543 WeakPolarHBondContact O-CB 3.02Å; G539-E543 PolarHBondContact O-N 2.8Å
540L98.8Very high98.8Very high116 Ų116101.7 Ų101.761%0.60750%0.501SS*.Hα-helixtrans-77.3-31.4171.5-75.9171.2000112.6A536 I537 T538 V544A536-L540 WeakPolarHBondContact O-CB 3.37Å; A536-L540 WeakPolarHBondContact O-CD1 3.34Å; A536-L540 WeakPolarHBondContact O-CG 3.31Å; A536-L540 PolarHBondContact O-N 3.36Å; I537-L540 PolarHBondContact O-N 3.26Å; I537-L540 VanDerWaalsContact O-N 3.16Å; T538-L540 PolarHBondContact O-N 3.05Å; L540-V544 WeakPolarHBondContact O-CB 3.47Å; L540-V544 VanDerWaalsContact O-CG2 3.25Å; L540-V544 WeakPolarHBondContact O-CG2 3.29Å; L540-V544 PolarHBondContact O-N 3.05Å
541Q98.8Very high98.8Very high103 Ų103100.4 Ų100.448%0.48150%0.497SS..Hα-helixtrans-66.8-49.4173.2-67.9170.9-7900110.4I537 T538 E543 V544 E545I537-Q541 WeakPolarHBondContact O-CG 3.47Å; I537-Q541 PolarHBondContact O-N 2.9Å; T538-Q541 WeakPolarHBondContact O-CB 3.17Å; T538-Q541 PolarHBondContact O-N 2.94Å; Q541-E543 VanDerWaalsContact C-N 3.33Å; Q541-E543 PolarHBondContact O-N 3.08Å; Q541-V544 PolarHBondContact O-N 2.97Å; Q541-V544 VanDerWaalsContact O-N 3.13Å; Q541-E545 WeakPolarHBondContact O-CG 3.38Å; Q541-E545 PolarHBondContact O-N 3.44Å
542E98.8Very high98.8Very high121 Ų12197.9 Ų97.957%0.56549%0.489SS*.Hα-helixtrans-55-45.2175.6-69170.8-168.300112.2T538 E545 R546T538-E542 WeakPolarHBondContact O-CG 3.39Å; T538-E542 PolarHBondContact O-N 3.2Å; E542-E545 PolarHBondContact O-N 2.93Å; E542-R546 VanDerWaalsContact O-CB 3.3Å; E542-R546 WeakPolarHBondContact O-CB 3.34Å; E542-R546 PolarHBondContact O-N 2.87Å
543E98.8Very high98.8Very high78 Ų7895.4 Ų95.436%0.36448%0.479SS..Hα-helixtrans-67.8-36.6178176.660.3-171.500112.6G539 Q541 R546 L547G539-E543 WeakPolarHBondContact O-CB 3.02Å; G539-E543 PolarHBondContact O-N 2.8Å; Q541-E543 VanDerWaalsContact C-N 3.33Å; Q541-E543 PolarHBondContact O-N 3.08Å; E543-R546 VanDerWaalsContact CD-NH2 3.3Å; E543-R546 PolarHBondContact O-N 3.3Å; E543-R546 IonicContact OE1-CZ 3.53Å; E543-R546 IonicContact OE1-NE 3.31Å; E543-R546 IonicContact OE1-NH2 2.67Å; E543-R546 PolarHBondContact OE1-NH2 2.86Å; E543-R546 IonicContact OE2-CZ 2.81Å; E543-R546 IonicContact OE2-NE 2.63Å; E543-R546 PolarHBondContact OE2-NE 3.45Å; E543-R546 IonicContact OE2-NH2 3.74Å; E543-R546 PolarHBondContact OE2-NH2 3.28Å; E543-L547 HydrophobicContact CG-CD1 4.06Å; E543-L547 WeakPolarHBondContact O-CB 3.45Å; E543-L547 VanDerWaalsContact O-CG 3.23Å; E543-L547 WeakPolarHBondContact O-CG 3.46Å; E543-L547 PolarHBondContact O-N 3.01Å
544V98.9Very high98.8Very high74 Ų7492.4 Ų92.445%0.44847%0.47SS..Hα-helixtrans-65.7-45.2174.7165.10000111.1L540 Q541 L547 Q548L540-V544 WeakPolarHBondContact O-CB 3.47Å; L540-V544 VanDerWaalsContact O-CG2 3.25Å; L540-V544 WeakPolarHBondContact O-CG2 3.29Å; L540-V544 PolarHBondContact O-N 3.05Å; Q541-V544 PolarHBondContact O-N 2.97Å; Q541-V544 VanDerWaalsContact O-N 3.13Å; V544-L547 PolarHBondContact O-N 3.43Å; V544-Q548 HydrophobicContact CG1-CG 4.48Å; V544-Q548 VanDerWaalsContact O-CG 3.28Å; V544-Q548 WeakPolarHBondContact O-CG 3.42Å; V544-Q548 PolarHBondContact O-N 2.99Å
545E98.8Very high98.8Very high121 Ų12190 Ų9057%0.56546%0.458SS*.Hα-helixtrans-61.4-44.1176-71.2170.3-157.900111.2Q541 E542 L547 Q548 A549Q541-E545 WeakPolarHBondContact O-CG 3.38Å; Q541-E545 PolarHBondContact O-N 3.44Å; E542-E545 PolarHBondContact O-N 2.93Å; E545-L547 PolarHBondContact O-N 2.83Å; E545-Q548 PolarHBondContact O-N 3.17Å; E545-A549 PolarHBondContact O-N 3.06Å
546R98.8Very high98.8Very high113 Ų11393.5 Ų93.543%0.42647%0.465SS..Hα-helixtrans-60.1-42.7175.3-166-161.464.964.61112.2E542 E543 Q550E542-R546 VanDerWaalsContact O-CB 3.3Å; E542-R546 WeakPolarHBondContact O-CB 3.34Å; E542-R546 PolarHBondContact O-N 2.87Å; E543-R546 VanDerWaalsContact CD-NH2 3.3Å; E543-R546 PolarHBondContact O-N 3.3Å; E543-R546 IonicContact OE1-CZ 3.53Å; E543-R546 IonicContact OE1-NE 3.31Å; E543-R546 IonicContact OE1-NH2 2.67Å; E543-R546 PolarHBondContact OE1-NH2 2.86Å; E543-R546 IonicContact OE2-CZ 2.81Å; E543-R546 IonicContact OE2-NE 2.63Å; E543-R546 PolarHBondContact OE2-NE 3.45Å; E543-R546 IonicContact OE2-NH2 3.74Å; E543-R546 PolarHBondContact OE2-NH2 3.28Å; R546-Q550 WeakPolarHBondContact O-CB 3.49Å; R546-Q550 PolarHBondContact O-N 3.4Å
547L98.8Very high98.8Very high82 Ų8295.3 Ų95.343%0.42946%0.464SS..Hα-helixtrans-69.1-37177.2-75.1169.4000112.5E543 V544 E545 Q550 R551E543-L547 HydrophobicContact CG-CD1 4.06Å; E543-L547 WeakPolarHBondContact O-CB 3.45Å; E543-L547 VanDerWaalsContact O-CG 3.23Å; E543-L547 WeakPolarHBondContact O-CG 3.46Å; E543-L547 PolarHBondContact O-N 3.01Å; V544-L547 PolarHBondContact O-N 3.43Å; E545-L547 PolarHBondContact O-N 2.83Å; L547-Q550 PolarHBondContact O-N 2.91Å; L547-R551 WeakPolarHBondContact O-CB 3.27Å; L547-R551 PolarHBondContact O-N 3.35Å
548Q98.8Very high98.8Very high111 Ų11198.8 Ų98.852%0.51948%0.476SS..Hα-helixtrans-63.3-49.5173.7-73.41724.900111.1V544 E545 Q550 R551 D552V544-Q548 HydrophobicContact CG1-CG 4.48Å; V544-Q548 VanDerWaalsContact O-CG 3.28Å; V544-Q548 WeakPolarHBondContact O-CG 3.42Å; V544-Q548 PolarHBondContact O-N 2.99Å; E545-Q548 PolarHBondContact O-N 3.17Å; Q548-Q550 VanDerWaalsContact C-N 3.28Å; Q548-Q550 PolarHBondContact O-N 2.97Å; Q548-R551 WeakPolarHBondContact O-CB 3.19Å; Q548-R551 PolarHBondContact O-N 2.9Å; Q548-R551 VanDerWaalsContact O-N 3.11Å; Q548-D552 PolarHBondContact O-N 2.81Å
549A98.8Very high98.8Very high62 Ų62103.9 Ų103.951%0.51249%0.488SS..Hα-helixtrans-59-38.5175.800000112.5E545 D552 R553E545-A549 PolarHBondContact O-N 3.06Å; A549-D552 PolarHBondContact O-N 3.38Å; A549-R553 WeakPolarHBondContact O-CB 3.31Å; A549-R553 PolarHBondContact O-N 2.96Å
550Q98.8Very high98.7Very high88 Ų88107.5 Ų107.541%0.41150%0.499SS..Hα-helixtrans-65.5-43.6174.1-175.6175-7.200112.2R546 L547 Q548 D552 R553 L554R546-Q550 WeakPolarHBondContact O-CB 3.49Å; R546-Q550 PolarHBondContact O-N 3.4Å; L547-Q550 PolarHBondContact O-N 2.91Å; Q548-Q550 VanDerWaalsContact C-N 3.28Å; Q548-Q550 PolarHBondContact O-N 2.97Å; Q550-D552 PolarHBondContact O-N 2.86Å; Q550-R553 PolarHBondContact O-N 2.9Å; Q550-L554 HydrophobicContact CG-CD1 4.22Å; Q550-L554 WeakPolarHBondContact O-CG 3.19Å; Q550-L554 PolarHBondContact O-N 3.31Å
551R98.8Very high98.7Very high155 Ų155105.3 Ų105.359%0.58549%0.49SS*.Hα-helixtrans-59.6-44174.7173.5-85.6-164.6176.42.1111.5L547 Q548 L554 L555L547-R551 WeakPolarHBondContact O-CB 3.27Å; L547-R551 PolarHBondContact O-N 3.35Å; Q548-R551 WeakPolarHBondContact O-CB 3.19Å; Q548-R551 PolarHBondContact O-N 2.9Å; Q548-R551 VanDerWaalsContact O-N 3.11Å; R551-L554 PolarHBondContact O-N 3.5Å; R551-L555 VanDerWaalsContact CZ-CD1 3.44Å; R551-L555 WeakPolarHBondContact O-CG 3.5Å; R551-L555 PolarHBondContact O-N 3.19Å
552D98.8Very high98.7Very high68 Ų68103.4 Ų103.436%0.36449%0.492SS..Hα-helixtrans-74.5-29.6-178.8-70.7-19.3000113.1Q548 A549 Q550 R556Q548-D552 PolarHBondContact O-N 2.81Å; A549-D552 PolarHBondContact O-N 3.38Å; Q550-D552 PolarHBondContact O-N 2.86Å; D552-R556 WeakPolarHBondContact O-CG 3.39Å; D552-R556 PolarHBondContact O-N 3.19Å; D552-R556 PolarHBondContact O-NE 3.44Å
553R98.8Very high98.7Very high138 Ų138105.3 Ų105.352%0.52150%0.498SS..Hα-helixtrans-61.9-51.1166.3-175.9-174.9172-71-4.3110.8A549 Q550 L555 R556 E557A549-R553 WeakPolarHBondContact O-CB 3.31Å; A549-R553 PolarHBondContact O-N 2.96Å; Q550-R553 PolarHBondContact O-N 2.9Å; R553-L555 PolarHBondContact O-N 3.4Å; R553-R556 PolarHBondContact O-N 2.91Å; R553-E557 IonicContact CZ-OE2 3.86Å; R553-E557 IonicContact NH1-OE2 3.15Å; R553-E557 PolarHBondContact NH1-OE2 3.07Å; R553-E557 IonicContact NH2-OE2 3.51Å; R553-E557 WeakPolarHBondContact O-CB 3.35Å; R553-E557 PolarHBondContact O-N 2.96Å
554L98.8Very high98.7Very high87 Ų87105.1 Ų105.146%0.45550%0.502SS..Hα-helixtrans-66.2-32.6-178.5-70.1170.3000113.2Q550 R551 K558Q550-L554 HydrophobicContact CG-CD1 4.22Å; Q550-L554 WeakPolarHBondContact O-CG 3.19Å; Q550-L554 PolarHBondContact O-N 3.31Å; R551-L554 PolarHBondContact O-N 3.5Å; L554-K558 WeakPolarHBondContact O-CB 3.39Å; L554-K558 PolarHBondContact O-N 2.89Å
555L98.8Very high98.6Very high61 Ų61107.8 Ų107.832%0.31951%0.512SS..Hα-helixtrans-70.2-37.1173.2-75.8-178000112.9R551 R553 R559R551-L555 VanDerWaalsContact CZ-CD1 3.44Å; R551-L555 WeakPolarHBondContact O-CG 3.5Å; R551-L555 PolarHBondContact O-N 3.19Å; R553-L555 PolarHBondContact O-N 3.4Å; L555-R559 WeakPolarHBondContact O-CB 3.41Å; L555-R559 VanDerWaalsContact O-CG 3.25Å; L555-R559 WeakPolarHBondContact O-CG 3.48Å; L555-R559 PolarHBondContact O-N 2.92Å
556R98.7Very high98.6Very high156 Ų156104 Ų10459%0.58951%0.505SS*.Hα-helixtrans-65-42.9172-74.4176.7-69138.9-10.8111.3D552 R553 R559 L560D552-R556 WeakPolarHBondContact O-CG 3.39Å; D552-R556 PolarHBondContact O-N 3.19Å; D552-R556 PolarHBondContact O-NE 3.44Å; R553-R556 PolarHBondContact O-N 2.91Å; R556-R559 PolarHBondContact O-N 3Å; R556-L560 PolarHBondContact O-N 3.25Å
557E98.6Very high98.5Very high92 Ų92101.1 Ų101.143%0.4351%0.505SS..Hα-helixtrans-58.6-51.8174.5-162.3174148.400111R553 R559 L560 T561R553-E557 IonicContact CZ-OE2 3.86Å; R553-E557 IonicContact NH1-OE2 3.15Å; R553-E557 PolarHBondContact NH1-OE2 3.07Å; R553-E557 IonicContact NH2-OE2 3.51Å; R553-E557 WeakPolarHBondContact O-CB 3.35Å; R553-E557 PolarHBondContact O-N 2.96Å; E557-R559 VanDerWaalsContact C-N 3.34Å; E557-R559 PolarHBondContact O-N 3.13Å; E557-L560 WeakPolarHBondContact O-CB 3.36Å; E557-L560 PolarHBondContact O-N 2.88Å; E557-L560 VanDerWaalsContact O-N 3.09Å; E557-T561 PolarHBondContact O-N 3.45Å; E557-T561 PolarHBondContact O-OG1 2.83Å; E557-T561 VanDerWaalsContact O-OG1 3.11Å
558K98.6Very high98.5Very high148 Ų148100.4 Ų100.464%0.64350%0.504SS*.Hα-helixtrans-56.2-43.3175.2-177.7-177.1176.2-175.70112.8L554 L560 T561 A562L554-K558 WeakPolarHBondContact O-CB 3.39Å; L554-K558 PolarHBondContact O-N 2.89Å; K558-L560 VanDerWaalsContact C-N 3.35Å; K558-T561 PolarHBondContact O-N 3.38Å; K558-A562 WeakPolarHBondContact O-CB 3.13Å; K558-A562 PolarHBondContact O-N 2.83Å
559R98.6Very high98.3Very high174 Ų17497.1 Ų97.166%0.65750%0.496SS*.Hα-helixtrans-62.8-40.5176.9-76.4168.9175.3176.8-2.1111.5L555 R556 E557 K563L555-R559 WeakPolarHBondContact O-CB 3.41Å; L555-R559 VanDerWaalsContact O-CG 3.25Å; L555-R559 WeakPolarHBondContact O-CG 3.48Å; L555-R559 PolarHBondContact O-N 2.92Å; R556-R559 PolarHBondContact O-N 3Å; E557-R559 VanDerWaalsContact C-N 3.34Å; E557-R559 PolarHBondContact O-N 3.13Å; R559-K563 WeakPolarHBondContact O-CG 3.39Å; R559-K563 PolarHBondContact O-N 2.87Å; R559-K563 VanDerWaalsContact O-N 3.1Å
560L98.4Very high98.2Very high110 Ų11099.9 Ų99.958%0.57650%0.498SS*.Hα-helixtrans-66-47.3176.2-176.761.8000111.3R556 E557 K558 A562 K563 T564R556-L560 PolarHBondContact O-N 3.25Å; E557-L560 WeakPolarHBondContact O-CB 3.36Å; E557-L560 PolarHBondContact O-N 2.88Å; E557-L560 VanDerWaalsContact O-N 3.09Å; K558-L560 VanDerWaalsContact C-N 3.35Å; L560-A562 VanDerWaalsContact C-N 3.32Å; L560-A562 PolarHBondContact O-N 2.78Å; L560-K563 PolarHBondContact O-N 2.69Å; L560-T564 HydrophobicContact CD1-CG2 4.48Å; L560-T564 PolarHBondContact O-N 2.85Å; L560-T564 PolarHBondContact O-OG1 2.63Å
561T98.4Very high98.1Very high69 Ų69101.7 Ų101.742%0.42351%0.507SS..Hα-helixtrans-60.2-39.8176-500000112.2E557 K558 T564 M565E557-T561 PolarHBondContact O-N 3.45Å; E557-T561 PolarHBondContact O-OG1 2.83Å; E557-T561 VanDerWaalsContact O-OG1 3.11Å; K558-T561 PolarHBondContact O-N 3.38Å; T561-T564 PolarHBondContact O-N 3.2Å; T561-T564 PolarHBondContact O-OG1 2.67Å; T561-M565 HydrophobicContact CG2-CG 4.32Å; T561-M565 HydrophobicContact CG2-SD 4.11Å; T561-M565 VanDerWaalsContact O-CB 3.32Å; T561-M565 WeakPolarHBondContact O-CB 3.29Å; T561-M565 VanDerWaalsContact O-CG 3.29Å; T561-M565 WeakPolarHBondContact O-CG 3.35Å; T561-M565 PolarHBondContact O-N 3.31Å
562A98.4Very high97.8Very high63 Ų6398.7 Ų98.752%0.52150%0.498SS..Hα-helixtrans-62.9-42.9175.200000112K558 L560 G566K558-A562 WeakPolarHBondContact O-CB 3.13Å; K558-A562 PolarHBondContact O-N 2.83Å; L560-A562 VanDerWaalsContact C-N 3.32Å; L560-A562 PolarHBondContact O-N 2.78Å; A562-G566 PolarHBondContact O-N 2.81Å
563K98.4Very high97.5Very high162 Ų162102.5 Ų102.570%0.70451%0.511SS*.Hα-helixtrans-62.3-46.9175-74.3-178.6176.4-169.20112.1R559 L560 G566 A567R559-K563 WeakPolarHBondContact O-CG 3.39Å; R559-K563 PolarHBondContact O-N 2.87Å; R559-K563 VanDerWaalsContact O-N 3.1Å; L560-K563 PolarHBondContact O-N 2.69Å; K563-G566 PolarHBondContact O-N 2.75Å; K563-A567 PolarHBondContact O-N 2.93Å
564T98.3Very high97.2Very high73 Ų73100.4 Ų100.445%0.44851%0.507SS..Hα-helixtrans-68.8-40.1-179.657.30000112.2L560 T561 G566 A567 V568L560-T564 HydrophobicContact CD1-CG2 4.48Å; L560-T564 PolarHBondContact O-N 2.85Å; L560-T564 PolarHBondContact O-OG1 2.63Å; T561-T564 PolarHBondContact O-N 3.2Å; T561-T564 PolarHBondContact O-OG1 2.67Å; T564-G566 VanDerWaalsContact C-N 3.33Å; T564-G566 PolarHBondContact O-N 2.72Å; T564-A567 PolarHBondContact O-N 3.42Å; T564-V568 WeakPolarHBondContact O-CG2 3.36Å; T564-V568 PolarHBondContact O-N 3.15Å
565M98.3Very high97Very high131 Ų131101.4 Ų101.465%0.64551%0.513SS*.Hα-helixtrans-61.2-40.6171.6-74.3-175.670.600112.1T561 A569T561-M565 HydrophobicContact CG2-CG 4.32Å; T561-M565 HydrophobicContact CG2-SD 4.11Å; T561-M565 VanDerWaalsContact O-CB 3.32Å; T561-M565 WeakPolarHBondContact O-CB 3.29Å; T561-M565 VanDerWaalsContact O-CG 3.29Å; T561-M565 WeakPolarHBondContact O-CG 3.35Å; T561-M565 PolarHBondContact O-N 3.31Å; M565-A569 WeakPolarHBondContact O-CB 3.19Å; M565-A569 PolarHBondContact O-N 3.11Å
566G97.6Very high96.6Very high42 Ų4299.1 Ų99.143%0.43350%0.501SS..Hα-helixtrans-60.9-45.7174.500000112.8A562 K563 T564 A569 H570A562-G566 PolarHBondContact O-N 2.81Å; K563-G566 PolarHBondContact O-N 2.75Å; T564-G566 VanDerWaalsContact C-N 3.33Å; T564-G566 PolarHBondContact O-N 2.72Å; G566-A569 PolarHBondContact O-N 3.39Å; G566-H570 PolarHBondContact O-N 3.4Å
567A97.9Very high96.3Very high52 Ų5298.1 Ų98.143%0.4350%0.498SS..Hα-helixtrans-63-47.3176.700000112.4K563 T564 A569 H570 Q571K563-A567 PolarHBondContact O-N 2.93Å; T564-A567 PolarHBondContact O-N 3.42Å; A567-A569 VanDerWaalsContact C-N 3.35Å; A567-A569 PolarHBondContact O-N 3.36Å; A567-H570 WeakPolarHBondContact O-CB 3.36Å; A567-H570 PolarHBondContact O-N 3.45Å; A567-Q571 WeakPolarHBondContact O-CG 3.14Å; A567-Q571 PolarHBondContact O-N 2.94Å
568V97.4Very high95.9Very high66 Ų6695.9 Ų95.940%0.449%0.488SS..Hα-helixtrans-63.4-39.7176.6172.10000111.2T564 H570 Q571 F572T564-V568 WeakPolarHBondContact O-CG2 3.36Å; T564-V568 PolarHBondContact O-N 3.15Å; V568-H570 VanDerWaalsContact C-N 3.33Å; V568-H570 PolarHBondContact O-N 3.47Å; V568-Q571 PolarHBondContact O-N 2.98Å; V568-F572 WeakPolarHBondContact O-CB 3.38Å; V568-F572 PolarHBondContact O-N 2.83Å
569A95.7Very high95.6Very high43 Ų4391.4 Ų91.436%0.35547%0.473SS..Hα-helixtrans-65.1-34.8174.900000112.4M565 G566 A567 K573M565-A569 WeakPolarHBondContact O-CB 3.19Å; M565-A569 PolarHBondContact O-N 3.11Å; G566-A569 PolarHBondContact O-N 3.39Å; A567-A569 VanDerWaalsContact C-N 3.35Å; A567-A569 PolarHBondContact O-N 3.36Å; A569-K573 WeakPolarHBondContact O-CB 3.46Å; A569-K573 WeakPolarHBondContact O-CD 3.26Å; A569-K573 WeakPolarHBondContact O-CG 3.46Å; A569-K573 PolarHBondContact O-N 3.03Å
570H96.6Very high95.3Very high120 Ų12083.1 Ų83.156%0.55644%0.442SS*.Hα-helixtrans-67.2-48.8172.4-176.5-89.5000111.7G566 A567 V568 F572 K573 Q574G566-H570 PolarHBondContact O-N 3.4Å; A567-H570 WeakPolarHBondContact O-CB 3.36Å; A567-H570 PolarHBondContact O-N 3.45Å; V568-H570 VanDerWaalsContact C-N 3.33Å; V568-H570 PolarHBondContact O-N 3.47Å; H570-F572 VanDerWaalsContact C-N 3.31Å; H570-F572 PolarHBondContact O-N 3.26Å; H570-K573 PolarHBondContact O-N 2.95Å; H570-Q574 PolarHBondContact O-N 3.41Å
571Q96.4Very high94.8Very high126 Ų12680.5 Ų80.559%0.58943%0.433SS*.Hα-helixtrans-56.5-43.7175.4-71.9175.3-12.100111.8A567 V568 Q574 L575A567-Q571 WeakPolarHBondContact O-CG 3.14Å; A567-Q571 PolarHBondContact O-N 2.94Å; V568-Q571 PolarHBondContact O-N 2.98Å; Q571-Q574 PolarHBondContact O-N 2.84Å; Q571-L575 WeakPolarHBondContact O-CB 3.28Å; Q571-L575 PolarHBondContact O-N 2.89Å
572F93Very high94.4Very high91 Ų9186.7 Ų86.740%0.39945%0.449SS..Hα-helixtrans-64.7-40.5176.9-176.9-95.9000112.7V568 H570 T576V568-F572 WeakPolarHBondContact O-CB 3.38Å; V568-F572 PolarHBondContact O-N 2.83Å; H570-F572 VanDerWaalsContact C-N 3.31Å; H570-F572 PolarHBondContact O-N 3.26Å; F572-T576 WeakPolarHBondContact CE1-OG1 3.4Å; F572-T576 VanDerWaalsContact O-CB 3.22Å; F572-T576 WeakPolarHBondContact O-CB 3.45Å; F572-T576 PolarHBondContact O-N 3.4Å; F572-T576 PolarHBondContact O-OG1 3.45Å
573K91.1Very high94Very high149 Ų14986.4 Ų86.465%0.64844%0.44SS*.Hα-helixtrans-62-44.3173.7-75.1166.8-177176.60111.5A569 H570 T576 R577A569-K573 WeakPolarHBondContact O-CB 3.46Å; A569-K573 WeakPolarHBondContact O-CD 3.26Å; A569-K573 WeakPolarHBondContact O-CG 3.46Å; A569-K573 PolarHBondContact O-N 3.03Å; H570-K573 PolarHBondContact O-N 2.95Å; K573-T576 PolarHBondContact O-N 3.45Å; K573-R577 WeakPolarHBondContact O-CB 3.32Å; K573-R577 PolarHBondContact O-N 3.45Å
574Q94.3Very high93.5Very high93 Ų9385 Ų8544%0.43543%0.43SS..Hα-helixtrans-63-50.3176.9-177.9175-10.800111.6H570 Q571 T576 R577 D578H570-Q574 PolarHBondContact O-N 3.41Å; Q571-Q574 PolarHBondContact O-N 2.84Å; Q574-T576 VanDerWaalsContact C-N 3.32Å; Q574-T576 PolarHBondContact O-N 3.31Å; Q574-R577 WeakPolarHBondContact O-CB 3.47Å; Q574-R577 PolarHBondContact O-N 3.09Å; Q574-D578 WeakPolarHBondContact O-CB 3.38Å; Q574-D578 VanDerWaalsContact O-CG 3.23Å; Q574-D578 PolarHBondContact O-N 2.92Å
575L92.8Very high92.9Very high108 Ų10883.6 Ų83.657%0.56542%0.42SS*.Hα-helixtrans-59.5-41.8176.7-179.462.2000111.8Q571 D578 V579Q571-L575 WeakPolarHBondContact O-CB 3.28Å; Q571-L575 PolarHBondContact O-N 2.89Å; L575-D578 PolarHBondContact O-N 3.04Å; L575-V579 HydrophobicContact CD1-CG2 4.01Å; L575-V579 HydrophobicContact CG-CG2 4.35Å; L575-V579 WeakPolarHBondContact O-CB 3.37Å; L575-V579 VanDerWaalsContact O-CG2 3.29Å; L575-V579 WeakPolarHBondContact O-CG2 3.39Å; L575-V579 PolarHBondContact O-N 2.58Å
576T90.9Very high92.3Very high13 Ų1383 Ų838%0.0844%0.437CS..Hα-helixtrans-60-48176.4-65.80000111.5F572 K573 Q574 D578 L580 L598F572-T576 WeakPolarHBondContact CE1-OG1 3.4Å; F572-T576 VanDerWaalsContact O-CB 3.22Å; F572-T576 WeakPolarHBondContact O-CB 3.45Å; F572-T576 PolarHBondContact O-N 3.4Å; F572-T576 PolarHBondContact O-OG1 3.45Å; K573-T576 PolarHBondContact O-N 3.45Å; Q574-T576 VanDerWaalsContact C-N 3.32Å; Q574-T576 PolarHBondContact O-N 3.31Å; T576-D578 VanDerWaalsContact C-N 3.34Å; T576-D578 PolarHBondContact O-N 3Å; T576-L580 HydrophobicContact CG2-CD1 3.91Å; T576-L580 WeakPolarHBondContact O-CB 3.29Å; T576-L580 VanDerWaalsContact O-CG 3.27Å; T576-L580 WeakPolarHBondContact O-CG 3.42Å; T576-L580 PolarHBondContact O-N 3.47Å; T576-L598 HydrophobicContact CG2-CB 4.26Å; T576-L598 HydrophobicContact CG2-CD1 4.23Å; T576-L598 HydrophobicContact CG2-CG 4.06Å
577R91.9Very high91.7Very high136 Ų13684.6 Ų84.651%0.51344%0.441SS..Hα-helixtrans-58.2-46.7175.2-171.7-159.470.1169.1-2.6111.2K573 Q574 L580 S581 P593K573-R577 WeakPolarHBondContact O-CB 3.32Å; K573-R577 PolarHBondContact O-N 3.45Å; Q574-R577 WeakPolarHBondContact O-CB 3.47Å; Q574-R577 PolarHBondContact O-N 3.09Å; R577-L580 PolarHBondContact O-N 3.14Å; R577-S581 WeakPolarHBondContact O-CB 3.37Å; R577-S581 PolarHBondContact O-N 2.84Å; R577-P593 HydrophobicContact CG-CB 4.19Å; R577-P593 HydrophobicContact CG-CG 3.92Å
578D91.5Very high91.1Very high44 Ų4484.7 Ų84.724%0.23545%0.447CS..Hα-helixtrans-73-35.9-173.3-67.7-0.9000111.8Q574 L575 T576 S581 R582Q574-D578 WeakPolarHBondContact O-CB 3.38Å; Q574-D578 VanDerWaalsContact O-CG 3.23Å; Q574-D578 PolarHBondContact O-N 2.92Å; L575-D578 PolarHBondContact O-N 3.04Å; T576-D578 VanDerWaalsContact C-N 3.34Å; T576-D578 PolarHBondContact O-N 3Å; D578-S581 PolarHBondContact O-N 3.24Å; D578-S581 PolarHBondContact O-OG 3.38Å; D578-R582 WeakPolarHBondContact O-CG 3.49Å; D578-R582 PolarHBondContact O-N 2.91Å
579V92.6Very high90.4Very high54 Ų5489 Ų8933%0.32746%0.456SS..Hα-helixtrans-65.1-48.1170.7169.30000111.1L575 S581 R582 V583 L598L575-V579 HydrophobicContact CD1-CG2 4.01Å; L575-V579 HydrophobicContact CG-CG2 4.35Å; L575-V579 WeakPolarHBondContact O-CB 3.37Å; L575-V579 VanDerWaalsContact O-CG2 3.29Å; L575-V579 WeakPolarHBondContact O-CG2 3.39Å; L575-V579 PolarHBondContact O-N 2.58Å; V579-S581 VanDerWaalsContact C-N 3.26Å; V579-S581 PolarHBondContact O-N 2.8Å; V579-R582 WeakPolarHBondContact O-CA 3.2Å; V579-R582 PolarHBondContact O-N 2.83Å; V579-V583 HydrophobicContact CG1-CG2 4.15Å; V579-V583 WeakPolarHBondContact O-CG2 3.49Å; V579-V583 PolarHBondContact O-N 2.97Å; V579-L598 HydrophobicContact CB-CD1 3.96Å; V579-L598 HydrophobicContact CG1-CD1 3.73Å
580L91.4Very high89.9Confident0 Ų090.5 Ų90.50%046%0.462CS..Hα-helixtrans-62.7-34.3178.7-69.6169.3000112.1T576 R577 R582 L591 P593 F596 L598 V608T576-L580 HydrophobicContact CG2-CD1 3.91Å; T576-L580 WeakPolarHBondContact O-CB 3.29Å; T576-L580 VanDerWaalsContact O-CG 3.27Å; T576-L580 WeakPolarHBondContact O-CG 3.42Å; T576-L580 PolarHBondContact O-N 3.47Å; R577-L580 PolarHBondContact O-N 3.14Å; L580-R582 PolarHBondContact O-N 2.99Å; L580-L591 CarbonylContact C-O 3.51Å; L580-L591 HydrophobicContact CB-CB 4.29Å; L580-L591 HydrophobicContact CD2-CB 4.08Å; L580-L591 HydrophobicContact CD2-CD1 3.82Å; L580-L591 PolarHBondContact O-N 3.47Å; L580-P593 HydrophobicContact CD1-CB 4.12Å; L580-F596 WeakPolarHBondContact CD1-O 3.43Å; L580-F596 HydrophobicContact CD2-CB 4.27Å; L580-L598 HydrophobicContact CD2-CD2 3.89Å; L580-L598 HydrophobicContact CD2-CG 4.3Å; L580-L598 HydrophobicContact CG-CD2 4.37Å; L580-L598 HydrophobicContact CG-CG 4.28Å; L580-V608 HydrophobicContact CD2-CG1 4.31Å; L580-V608 HydrophobicContact CD2-CG2 4.44Å
581S88.6Confident89.4Confident56 Ų5685.8 Ų85.839%0.39244%0.441SS..Hα-helixtrans-63.7-20.6172.485.50000114.2R577 D578 V579 R584R577-S581 WeakPolarHBondContact O-CB 3.37Å; R577-S581 PolarHBondContact O-N 2.84Å; D578-S581 PolarHBondContact O-N 3.24Å; D578-S581 PolarHBondContact O-OG 3.38Å; V579-S581 VanDerWaalsContact C-N 3.26Å; V579-S581 PolarHBondContact O-N 2.8Å; S581-R584 PolarHBondContact O-NH1 3.47Å
582R89.2Confident88.8Confident199 Ų19982.6 Ų82.675%0.75143%0.428SS*.Hα-helixtrans-98.9-35.8179-67.5175.6-172-156.33.9112.9D578 V579 L580 R584D578-R582 WeakPolarHBondContact O-CG 3.49Å; D578-R582 PolarHBondContact O-N 2.91Å; V579-R582 WeakPolarHBondContact O-CA 3.2Å; V579-R582 PolarHBondContact O-N 2.83Å; L580-R582 PolarHBondContact O-N 2.99Å; R582-R584 VanDerWaalsContact C-NH1 3.29Å; R582-R584 PolarHBondContact O-NH1 2.8Å
583V89.4Confident88.3Confident57 Ų5780.9 Ų80.935%0.34543%0.426SS..SBendtrans-61.7149.9172179.30000109.9V579 P590 L591V579-V583 HydrophobicContact CG1-CG2 4.15Å; V579-V583 WeakPolarHBondContact O-CG2 3.49Å; V579-V583 PolarHBondContact O-N 2.97Å; V583-P590 WeakPolarHBondContact O-CA 3.47Å; V583-L591 HydrophobicContact CB-CD1 3.95Å; V583-L591 HydrophobicContact CB-CG 4.38Å; V583-L591 HydrophobicContact CG1-CD1 3.47Å; V583-L591 VanDerWaalsContact CG1-CD1 3.47Å; V583-L591 HydrophobicContact CG1-CG 4.07Å; V583-L591 PolarHBondContact O-N 2.79Å
584R89.3Confident88Confident131 Ų13180.3 Ų80.349%0.49443%0.426SS..BIsolated β-bridgetrans-122.2142.7-179-63.5-65.5179.6-99.48.4111.7S581 R582 G588 R589S581-R584 PolarHBondContact O-NH1 3.47Å; R582-R584 VanDerWaalsContact C-NH1 3.29Å; R582-R584 PolarHBondContact O-NH1 2.8Å; R584-G588 WeakPolarHBondContact CD-O 3.39Å; R584-R589 CarbonylContact C-O 3.56Å; R584-R589 VanDerWaalsContact CA-O 3.26Å; R584-R589 WeakPolarHBondContact CA-O 3.45Å; R584-R589 VanDerWaalsContact CD-C 3.46Å
585D85.6Confident87.6Confident44 Ų4483.9 Ų83.924%0.23544%0.435CS..  trans-74.517116977.76.6000111.5S587 G588 R589 L591D585-S587 PolarHBondContact O-N 3.12Å; D585-S587 VanDerWaalsContact OD1-CA 3.25Å; D585-S587 WeakPolarHBondContact OD1-CA 3.41Å; D585-S587 WeakPolarHBondContact OD1-CB 3.28Å; D585-S587 PolarHBondContact OD1-N 3.31Å; D585-S587 PolarHBondContact OD1-OG 3.27Å; D585-S587 PolarHBondContact OD2-OG 3.38Å; D585-G588 PolarHBondContact O-N 3.22Å; D585-G588 PolarHBondContact OD1-N 2.7Å; D585-R589 PolarHBondContact N-O 3.29Å; D585-R589 PolarHBondContact OD1-N 2.92Å; D585-R589 IonicContact OD1-NE 3.43Å; D585-R589 IonicContact OD2-CZ 3.66Å; D585-R589 IonicContact OD2-NE 3.8Å; D585-R589 PolarHBondContact OD2-NE 3.5Å; D585-R589 VanDerWaalsContact OD2-NE 3.12Å; D585-R589 IonicContact OD2-NH2 2.71Å; D585-R589 PolarHBondContact OD2-NH2 3.16Å; D585-L591 HydrophobicContact CB-CD2 4.12Å
586A85.2Confident87.3Confident120 Ų12081.7 Ų81.799%0.99242%0.421SS*.THydrogen-bonded Turntrans-65.2-3.8178.300000114.4
587S85.3Confident87.3Confident75 Ų7583.4 Ų83.452%0.52443%0.431SS..THydrogen-bonded Turntrans-106.410.7171.266.40000113.2D585 R589D585-S587 PolarHBondContact O-N 3.12Å; D585-S587 VanDerWaalsContact OD1-CA 3.25Å; D585-S587 WeakPolarHBondContact OD1-CA 3.41Å; D585-S587 WeakPolarHBondContact OD1-CB 3.28Å; D585-S587 PolarHBondContact OD1-N 3.31Å; D585-S587 PolarHBondContact OD1-OG 3.27Å; D585-S587 PolarHBondContact OD2-OG 3.38Å; S587-R589 VanDerWaalsContact OG-CZ 3.32Å; S587-R589 PolarHBondContact OG-NE 3.03Å; S587-R589 PolarHBondContact OG-NH2 3.03Å
588G84.2Confident87.2Confident53 Ų5378 Ų7855%0.54641%0.413SS..SBendtrans78.314.1176.100000115.1R584 D585R584-G588 WeakPolarHBondContact CD-O 3.39Å; D585-G588 PolarHBondContact O-N 3.22Å; D585-G588 PolarHBondContact OD1-N 2.7Å
589R83.6Confident87.1Confident156 Ų15680.8 Ų80.859%0.58942%0.424SS*.PPolyproline II helixtrans-99.8149.7-179.1-58.8177.3-57.5-167.9-1.3111.6R584 D585 S587R584-R589 CarbonylContact C-O 3.56Å; R584-R589 VanDerWaalsContact CA-O 3.26Å; R584-R589 WeakPolarHBondContact CA-O 3.45Å; R584-R589 VanDerWaalsContact CD-C 3.46Å; D585-R589 PolarHBondContact N-O 3.29Å; D585-R589 PolarHBondContact OD1-N 2.92Å; D585-R589 IonicContact OD1-NE 3.43Å; D585-R589 IonicContact OD2-CZ 3.66Å; D585-R589 IonicContact OD2-NE 3.8Å; D585-R589 PolarHBondContact OD2-NE 3.5Å; D585-R589 VanDerWaalsContact OD2-NE 3.12Å; D585-R589 IonicContact OD2-NH2 2.71Å; D585-R589 PolarHBondContact OD2-NH2 3.16Å; S587-R589 VanDerWaalsContact OG-CZ 3.32Å; S587-R589 PolarHBondContact OG-NE 3.03Å; S587-R589 PolarHBondContact OG-NH2 3.03Å
590P84.5Confident86.8Confident76 Ų7681.8 Ų81.849%0.49443%0.433SS..BIsolated β-bridgetrans-58.8147.4173.425.2-34.5000112.2V583V583-P590 WeakPolarHBondContact O-CA 3.47Å
591L86.3Confident86.6Confident20 Ų2083.3 Ų83.311%0.10545%0.449CS..PPolyproline II helixtrans-73.5133.5171.3-65.9179.4000109.9L580 V583 D585 F596 V608L580-L591 CarbonylContact C-O 3.51Å; L580-L591 HydrophobicContact CB-CB 4.29Å; L580-L591 HydrophobicContact CD2-CB 4.08Å; L580-L591 HydrophobicContact CD2-CD1 3.82Å; L580-L591 PolarHBondContact O-N 3.47Å; V583-L591 HydrophobicContact CB-CD1 3.95Å; V583-L591 HydrophobicContact CB-CG 4.38Å; V583-L591 HydrophobicContact CG1-CD1 3.47Å; V583-L591 VanDerWaalsContact CG1-CD1 3.47Å; V583-L591 HydrophobicContact CG1-CG 4.07Å; V583-L591 PolarHBondContact O-N 2.79Å; D585-L591 HydrophobicContact CB-CD2 4.12Å; L591-F596 HydrophobicContact CB-CD2 4.28Å; L591-F596 HydrophobicContact CD2-CD2 4.14Å; L591-F596 HydrophobicContact CD2-CE2 4.07Å; L591-F596 HydrophobicContact CD2-CZ 4.45Å; L591-V608 HydrophobicContact CD1-CG1 3.79Å; L591-V608 HydrophobicContact CD1-CG2 4.15Å
592N83.8Confident86.6Confident60 Ų6085.7 Ų85.732%0.32147%0.472SS..PPolyproline II helixtrans-82.5121.4178.7-178.7-29.1000110.2E594 R595 F596N592-E594 PolarHBondContact O-N 3.03Å; N592-E594 VanDerWaalsContact OD1-CB 3.28Å; N592-E594 WeakPolarHBondContact OD1-CB 3.47Å; N592-E594 WeakPolarHBondContact OD1-CG 3.25Å; N592-E594 PolarHBondContact OD1-N 3.31Å; N592-R595 HydrophobicContact CB-CG 4.48Å; N592-R595 PolarHBondContact O-N 2.79Å; N592-F596 PolarHBondContact O-N 3.17Å
593P83.7Confident86.7Confident55 Ų5582.4 Ų82.436%0.35747%0.469SS..THydrogen-bonded Turntrans-68.7-12.4-178.630-36.8000115.1R577 L580 R595 I611R577-P593 HydrophobicContact CG-CB 4.19Å; R577-P593 HydrophobicContact CG-CG 3.92Å; L580-P593 HydrophobicContact CD1-CB 4.12Å; P593-R595 VanDerWaalsContact C-N 3.3Å; P593-I611 VanDerWaalsContact O-CD1 3.31Å; P593-I611 WeakPolarHBondContact O-CD1 3.39Å
594E84.5Confident86.6Confident136 Ų13682.7 Ų82.764%0.63648%0.484SS*.THydrogen-bonded Turntrans-80-14.1170.8-55.8173.9154.600112.6N592N592-E594 PolarHBondContact O-N 3.03Å; N592-E594 VanDerWaalsContact OD1-CB 3.28Å; N592-E594 WeakPolarHBondContact OD1-CB 3.47Å; N592-E594 WeakPolarHBondContact OD1-CG 3.25Å; N592-E594 PolarHBondContact OD1-N 3.31Å
595R85.3Confident86.6Confident168 Ų16884.7 Ų84.763%0.63449%0.491SS*.THydrogen-bonded Turntrans-116.9-19.2-176.1-62-171.7-179.3-160.1-1.4113.7N592 P593 P610 I611N592-R595 HydrophobicContact CB-CG 4.48Å; N592-R595 PolarHBondContact O-N 2.79Å; P593-R595 VanDerWaalsContact C-N 3.3Å; R595-P610 CarbonylContact O-C 3.58Å; R595-P610 WeakPolarHBondContact O-CA 3.37Å; R595-I611 PolarHBondContact O-N 2.95Å
596F87.6Confident86.8Confident63 Ų6386.5 Ų86.528%0.27650%0.504SS..EExtended strand (participates in β ladder)trans-134.1145.3-179.5-61.4-82.4000110.1L580 L591 N592 V608 Q609 P610L580-F596 WeakPolarHBondContact CD1-O 3.43Å; L580-F596 HydrophobicContact CD2-CB 4.27Å; L591-F596 HydrophobicContact CB-CD2 4.28Å; L591-F596 HydrophobicContact CD2-CD2 4.14Å; L591-F596 HydrophobicContact CD2-CE2 4.07Å; L591-F596 HydrophobicContact CD2-CZ 4.45Å; N592-F596 PolarHBondContact O-N 3.17Å; F596-V608 HydrophobicContact CB-CG1 3.99Å; F596-V608 HydrophobicContact CD1-CG1 3.85Å; F596-V608 HydrophobicContact CG-CG1 4.19Å; F596-Q609 CarbonylContact C-O 3.56Å; F596-Q609 WeakPolarHBondContact CA-O 3.47Å; F596-P610 HydrophobicContact CD1-CB 4.42Å; F596-P610 HydrophobicContact CD1-CG 4.31Å; F596-P610 HydrophobicContact CE1-CB 4.41Å; F596-P610 HydrophobicContact CE1-CG 4.1Å
597T90.6Very high87Confident48 Ų4883.3 Ų83.329%0.29447%0.472SS..EExtended strand (participates in β ladder)trans-127.6165.8172.7-170.80000109.8Q609 I611T597-Q609 HydrophobicContact CG2-CB 4.4Å; T597-Q609 PolarHBondContact N-O 3.24Å; T597-Q609 PolarHBondContact O-N 2.87Å; T597-I611 HydrophobicContact CG2-CG1 4.06Å
598L90.3Very high87.3Confident22 Ų2282.9 Ų82.912%0.11547%0.466CS..EExtended strand (participates in β ladder)trans-100.6123.6172.5-61.8177.3000109.1T576 V579 L580 V606 V608T576-L598 HydrophobicContact CG2-CB 4.26Å; T576-L598 HydrophobicContact CG2-CD1 4.23Å; T576-L598 HydrophobicContact CG2-CG 4.06Å; V579-L598 HydrophobicContact CB-CD1 3.96Å; V579-L598 HydrophobicContact CG1-CD1 3.73Å; L580-L598 HydrophobicContact CD2-CD2 3.89Å; L580-L598 HydrophobicContact CD2-CG 4.3Å; L580-L598 HydrophobicContact CG-CD2 4.37Å; L580-L598 HydrophobicContact CG-CG 4.28Å; L598-V606 HydrophobicContact CB-CG1 4.03Å; L598-V606 HydrophobicContact CD2-CG1 4.13Å; L598-V606 HydrophobicContact CG-CG1 4.46Å; L598-V608 HydrophobicContact CD2-CG2 3.86Å
599Q88.4Confident87.5Confident103 Ų10383.3 Ų83.348%0.48145%0.454SS..EExtended strand (participates in β ladder)trans-105.8121.3171.9-174.1-177.740.700108.7V606 V607Q599-V606 CarbonylContact O-C 3.57Å; Q599-V606 WeakPolarHBondContact O-CA 3.37Å; Q599-V607 HydrophobicContact CB-CG2 3.95Å; Q599-V607 PolarHBondContact N-O 2.92Å; Q599-V607 PolarHBondContact O-N 2.98Å
600C86.7Confident87.7Confident75 Ų7579.7 Ų79.751%0.50745%0.45SS..EExtended strand (participates in β ladder)trans-92.3118.1171.3-60.40000109
601G87.7Confident87.7Confident32 Ų3279.2 Ų79.233%0.3344%0.443SS..  trans-75.7157.6170.600000112.1N603 G604 R605G601-N603 PolarHBondContact O-N 2.96Å; G601-G604 PolarHBondContact O-N 3.23Å; G601-R605 PolarHBondContact N-O 3.05Å
602A87.8Confident87.2Confident106 Ų10688.7 Ų88.788%0.87648%0.477SS*.THydrogen-bonded Turntrans-60.3-14.8177.700000114.3G604A602-G604 VanDerWaalsContact C-N 3.29Å
603N90.8Very high86Confident130 Ų13092.6 Ų92.670%0.69549%0.494SS*.THydrogen-bonded Turntrans-87.715.1171.463.7-5.6000113.7G601 R605G601-N603 PolarHBondContact O-N 2.96Å; N603-R605 PolarHBondContact O-N 3.25Å; N603-R605 VanDerWaalsContact O-N 3.16Å; N603-R605 VanDerWaalsContact OD1-CB 3.26Å; N603-R605 WeakPolarHBondContact OD1-CB 3.44Å; N603-R605 PolarHBondContact OD1-N 2.92Å; N603-R605 VanDerWaalsContact OD1-N 3.17Å
604G86.9Confident84.5Confident64 Ų6495.4 Ų95.466%0.6651%0.512SS*.SBendtrans71.9-1-176.800000115G601 A602 V606G601-G604 PolarHBondContact O-N 3.23Å; A602-G604 VanDerWaalsContact C-N 3.29Å; G604-V606 PolarHBondContact O-N 2.76Å
605R89.7Confident82.5Confident173 Ų17393.8 Ų93.865%0.65352%0.522SS*.  trans-77.5116.1-178.8-171-178.6-177.9-178.52.1110.5G601 N603 V607G601-R605 PolarHBondContact N-O 3.05Å; N603-R605 PolarHBondContact O-N 3.25Å; N603-R605 VanDerWaalsContact O-N 3.16Å; N603-R605 VanDerWaalsContact OD1-CB 3.26Å; N603-R605 WeakPolarHBondContact OD1-CB 3.44Å; N603-R605 PolarHBondContact OD1-N 2.92Å; N603-R605 VanDerWaalsContact OD1-N 3.17Å; R605-V607 HydrophobicContact CG-CG1 4.26Å
606V89.6Confident80.7Confident81 Ų8191.4 Ų91.449%0.49153%0.526SS..EExtended strand (participates in β ladder)trans-80.7132.7169.4-166.80000109.9L598 Q599 G604L598-V606 HydrophobicContact CB-CG1 4.03Å; L598-V606 HydrophobicContact CD2-CG1 4.13Å; L598-V606 HydrophobicContact CG-CG1 4.46Å; Q599-V606 CarbonylContact O-C 3.57Å; Q599-V606 WeakPolarHBondContact O-CA 3.37Å; G604-V606 PolarHBondContact O-N 2.76Å
607V90.3Very high78.4Confident53 Ų5392.8 Ų92.832%0.32155%0.549SS..EExtended strand (participates in β ladder)trans-128.6144.6172-61.30000111.1Q599 R605Q599-V607 HydrophobicContact CB-CG2 3.95Å; Q599-V607 PolarHBondContact N-O 2.92Å; Q599-V607 PolarHBondContact O-N 2.98Å; R605-V607 HydrophobicContact CG-CG1 4.26Å
608V90.8Very high76.2Confident66 Ų6696.3 Ų96.340%0.457%0.57SS.*EExtended strand (participates in β ladder)trans-83122.7172.1178.80000108.5L580 L591 F596 L598L580-V608 HydrophobicContact CD2-CG1 4.31Å; L580-V608 HydrophobicContact CD2-CG2 4.44Å; L591-V608 HydrophobicContact CD1-CG1 3.79Å; L591-V608 HydrophobicContact CD1-CG2 4.15Å; F596-V608 HydrophobicContact CB-CG1 3.99Å; F596-V608 HydrophobicContact CD1-CG1 3.85Å; F596-V608 HydrophobicContact CG-CG1 4.19Å; L598-V608 HydrophobicContact CD2-CG2 3.86Å
609Q88.6Confident73.9Confident62 Ų62100.9 Ų100.929%0.2960%0.604SS.*EExtended strand (participates in β ladder)trans-120.6137.6177.9-166178.523.700110.8F596 T597 I611F596-Q609 CarbonylContact C-O 3.56Å; F596-Q609 WeakPolarHBondContact CA-O 3.47Å; T597-Q609 HydrophobicContact CG2-CB 4.4Å; T597-Q609 PolarHBondContact N-O 3.24Å; T597-Q609 PolarHBondContact O-N 2.87Å; Q609-I611 PolarHBondContact O-N 3.23Å
610P87.3Confident71.8Confident80 Ų80100.4 Ų100.452%0.51962%0.618SS.*EExtended strand (participates in β ladder)trans-62.2135169.7-20.532.4000111.4R595 F596 R612R595-P610 CarbonylContact O-C 3.58Å; R595-P610 WeakPolarHBondContact O-CA 3.37Å; F596-P610 HydrophobicContact CD1-CB 4.42Å; F596-P610 HydrophobicContact CD1-CG 4.31Å; F596-P610 HydrophobicContact CE1-CB 4.41Å; F596-P610 HydrophobicContact CE1-CG 4.1Å; P610-R612 PolarHBondContact O-N 3.24Å
611I85.8Confident69.4Low67 Ų67100.4 Ų100.434%0.34463%0.63SS.*  trans-69.8117.3175.5-67172.1000108.6P593 R595 T597 Q609 Q613P593-I611 VanDerWaalsContact O-CD1 3.31Å; P593-I611 WeakPolarHBondContact O-CD1 3.39Å; R595-I611 PolarHBondContact O-N 2.95Å; T597-I611 HydrophobicContact CG2-CG1 4.06Å; Q609-I611 PolarHBondContact O-N 3.23Å; I611-Q613 VanDerWaalsContact C-N 3.33Å; I611-Q613 HydrophobicContact CG2-CG 4.25Å; I611-Q613 PolarHBondContact O-N 3.3Å
612R75.4Confident67.5Low218 Ų218108.2 Ų108.282%0.82366%0.655SS**  trans-76.284.1173.8-68.1-179.9179.2159.9-1.6109.6P610P610-R612 PolarHBondContact O-N 3.24Å
613Q59.4Low65.2Low142 Ų142112.1 Ų112.166%0.66465%0.652SS**  trans-62.9127.9169.5-65.2-176.2-5.500109.3I611 A615I611-Q613 VanDerWaalsContact C-N 3.33Å; I611-Q613 HydrophobicContact CG2-CG 4.25Å; I611-Q613 PolarHBondContact O-N 3.3Å; Q613-A615 PolarHBondContact O-N 2.77Å
614P50.6Low62.9Low114 Ų114111.7 Ų111.774%0.7466%0.655SS**  trans-63.2132.717026.9-32.8000109V616P614-V616 PolarHBondContact O-N 3.18Å
615A43.3Very low60.8Low102 Ų102116.2 Ų116.284%0.84366%0.664SS**  trans-74.686.8-169.900000112.1Q613 A617Q613-A615 PolarHBondContact O-N 2.77Å; A615-A617 PolarHBondContact O-N 3.2Å
616V47.7Very low58.7Low119 Ų119117.5 Ų117.572%0.72167%0.674SS**  trans-64.999.3171-178.30000109.2P614 T618P614-V616 PolarHBondContact O-N 3.18Å; V616-T618 HydrophobicContact CG1-CG2 4.27Å; V616-T618 PolarHBondContact O-N 3.28Å
617A39Very low56.4Low92 Ų92125.1 Ų125.176%0.7669%0.694SS**  trans-69.788178.600000110.7A615 S619A615-A617 PolarHBondContact O-N 3.2Å; A617-S619 PolarHBondContact O-N 3.46Å
618T44.9Very low54.2Low121 Ų121132.4 Ų132.474%0.74272%0.722SS**  trans-7188.4178.843.20000111.3V616 A620V616-T618 HydrophobicContact CG1-CG2 4.27Å; V616-T618 PolarHBondContact O-N 3.28Å; T618-A620 PolarHBondContact O-N 3.3Å
619S41.1Very low51.9Low119 Ų119138.8 Ų138.883%0.83274%0.744SS**  trans-7171.7174.550.10000111.7A617 G621A617-S619 PolarHBondContact O-N 3.46Å; S619-G621 PolarHBondContact O-N 3.42Å
620A44Very low49.7Very low92 Ų92144.2 Ų144.276%0.7677%0.769SS**  trans-68.268.517900000112.8T618 K622T618-A620 PolarHBondContact O-N 3.3Å; A620-K622 PolarHBondContact O-N 2.6Å
621G37.7Very low47.7Very low75 Ų75149.9 Ų149.977%0.77379%0.786SS**  trans-72.285.9-174.400000113.9S619 K623S619-G621 PolarHBondContact O-N 3.42Å; G621-K623 PolarHBondContact O-N 3.14Å
622K46.3Very low45.5Very low196 Ų196155.6 Ų155.685%0.85281%0.808SS**  trans-59.5117.1170.6-62.8174.8-179.3175.60111.7A620A620-K622 PolarHBondContact O-N 2.6Å
623K39.6Very low43.7Very low188 Ų188157.2 Ų157.282%0.81783%0.825SS**  trans-171.9102.4148.1-103.8146.7-172176.30111.8G621G621-K623 PolarHBondContact O-N 3.14Å
624T42.8Very low42.9Very low122 Ų122158 Ų15875%0.74883%0.833SS**  95.4122.890.748.80000113.6
625D43.8Very low42.5Very low158 Ų158160.3 Ų160.385%0.84584%0.838SS**  trans-46.2144.6167.9-74.6-90.2000114.6
626K44.3Very low42.4Very low201 Ų201163.5 Ų163.587%0.87484%0.838SS**  trans-126.1116.5153.7-75.9-171.1176.4177.90110
627R42.2Very low42.1Very low241 Ų241166.1 Ų166.191%0.90984%0.844SS**  trans-57.9137-175.8-77.7174.8163.7172.1-7.4112.6K629R627-K629 PolarHBondContact O-N 3.08Å
628K44.8Very low42.3Very low206 Ų206170.8 Ų170.890%0.89685%0.85SS**  trans-42.8126.3155.6-171.3178.8-172.9178.50110.1
629K41.6Very low42.2Very low199 Ų199174.1 Ų174.187%0.86586%0.857SS**  trans-115.2127166.6-173.4175.3179.9-179.80108.6R627R627-K629 PolarHBondContact O-N 3.08Å
630E41.7Very low42.2Very low177 Ų177178 Ų17883%0.82786%0.858SS**  trans-65.3148.6176.5-57.6172.212100110.9
631K45.1Very low42.1Very low199 Ų199184.6 Ų184.687%0.86587%0.866SS**  trans-114.6127.5153-164.8-179.3178-168.80107.9
632K39.6Very low42.5Very low187 Ų187193.8 Ų193.881%0.81387%0.874SS**  trans-121.5144.4179.2-172.9178-175.2176.70106.7
633Q38Very low42.1Very low251 Ų251193.5 Ų193.5100%1.17388%0.876SS**  trans70.60-161.7-51.3-178.1-71.200112.4

Retrieved 633 of 633 residues in 76 ms (Link to these results)