A0A3Q0KTE1_SCHMA Loading...

Amiloride-sensitive sodium channel,putative AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KTE1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 885 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
1M37.8Very low42.4Very low202 Ų202134.6 Ų134.6100%0.99568%0.683SS**  06.90-164.8161.4169.700113.7I3M1-I3 PolarHBondContact O-N 3.19Å
2C35.3Very low43.7Very low126 Ų126131.3 Ų131.385%0.85167%0.666SS**THydrogen-bonded Turntrans-75.811.6-162.1-47.80000117.2
3I40.9Very low44.5Very low152 Ų152132.2 Ų132.278%0.77967%0.669SS**THydrogen-bonded Turntrans-91.1-20.7-173.9-66.5175.5000112.7M1 V5M1-I3 PolarHBondContact O-N 3.19Å; I3-V5 VanDerWaalsContact C-N 3.34Å; I3-V5 PolarHBondContact O-N 2.85Å
4K37.5Very low45Very low152 Ų152133.4 Ų133.466%0.66167%0.668SS**THydrogen-bonded Turntrans-70-18.1-172.5-84.1-169.8170.8-175.30116.2Q7K4-Q7 PolarHBondContact O-N 3.05Å
5V42.4Very low45.3Very low96 Ų96129.4 Ų129.458%0.58266%0.656SS**Hα-helixtrans-67-42.6-175.2-175.10000112.2I3 Q7 T8I3-V5 VanDerWaalsContact C-N 3.34Å; I3-V5 PolarHBondContact O-N 2.85Å; V5-Q7 PolarHBondContact O-N 3.11Å; V5-T8 PolarHBondContact O-N 3.35Å; V5-T8 PolarHBondContact O-OG1 3.18Å
6K37.6Very low46Very low176 Ų176129.1 Ų129.177%0.76565%0.65SS**Hα-helixtrans-65.1-1.1-178.5-78-173.8173.61790115.5
7Q40.5Very low46.5Very low142 Ų142125.4 Ų125.466%0.66464%0.639SS**Hα-helixtrans-102.2-26.9179.9-121.7167.3-13.500113.1K4 V5K4-Q7 PolarHBondContact O-N 3.05Å; V5-Q7 PolarHBondContact O-N 3.11Å
8T47.9Very low47Very low76 Ų76121.4 Ų121.447%0.46662%0.624SS.*Hα-helixtrans-67.7-42.7171.838.80000111.2V5 K10 L11 I12V5-T8 PolarHBondContact O-N 3.35Å; V5-T8 PolarHBondContact O-OG1 3.18Å; T8-K10 VanDerWaalsContact C-N 3.28Å; T8-K10 PolarHBondContact O-N 2.91Å; T8-L11 WeakPolarHBondContact O-CA 3.27Å; T8-L11 WeakPolarHBondContact O-CB 3.48Å; T8-L11 PolarHBondContact O-N 3.39Å; T8-I12 WeakPolarHBondContact O-CG1 3.42Å; T8-I12 PolarHBondContact O-N 3.11Å
9D50.5Low47.5Very low77 Ų77119.3 Ų119.341%0.41262%0.617SS.*Hα-helixtrans-59.5-39.2-176-42.6-22.8000111.8L11 M13D9-L11 VanDerWaalsContact C-N 3.34Å; D9-M13 WeakPolarHBondContact O-CB 3.41Å; D9-M13 WeakPolarHBondContact O-CG 3.25Å; D9-M13 PolarHBondContact O-N 2.76Å
10K47.8Very low47.9Very low156 Ų156117 Ų11768%0.67860%0.602SS**Hα-helixtrans-70.7-26.4175.8-78.1-173173.2-177.50113.6T8 K14T8-K10 VanDerWaalsContact C-N 3.28Å; T8-K10 PolarHBondContact O-N 2.91Å; K10-K14 WeakPolarHBondContact O-CB 3.25Å; K10-K14 WeakPolarHBondContact O-CG 3.42Å; K10-K14 PolarHBondContact O-N 2.85Å
11L48.1Very low48.2Very low126 Ų126113.6 Ų113.666%0.6659%0.589SS**Hα-helixtrans-80.3-43176.9-123.8168.5000110.4T8 D9 K14 C15T8-L11 WeakPolarHBondContact O-CA 3.27Å; T8-L11 WeakPolarHBondContact O-CB 3.48Å; T8-L11 PolarHBondContact O-N 3.39Å; D9-L11 VanDerWaalsContact C-N 3.34Å; L11-K14 PolarHBondContact O-N 3.14Å; L11-C15 PolarHBondContact O-N 2.88Å
12I57.7Low49.1Very low94 Ų94111.8 Ų111.848%0.48258%0.578SS.*Hα-helixtrans-62.1-50.1173.5-64.4168.2000110.1T8 K14 C15 F16T8-I12 WeakPolarHBondContact O-CG1 3.42Å; T8-I12 PolarHBondContact O-N 3.11Å; I12-K14 VanDerWaalsContact C-N 3.27Å; I12-K14 PolarHBondContact O-N 3.38Å; I12-C15 PolarHBondContact O-N 3.34Å; I12-C15 VanDerWaalsContact O-N 3.15Å; I12-F16 HydrophobicContact CG2-CD2 3.79Å; I12-F16 HydrophobicContact CG2-CE2 3.8Å; I12-F16 WeakPolarHBondContact O-CB 3.44Å; I12-F16 WeakPolarHBondContact O-CD2 3.49Å; I12-F16 PolarHBondContact O-N 3.47Å
13M54.6Low50.4Low143 Ų143106.7 Ų106.770%0.70454%0.543SS*.Hα-helixtrans-57.4-37.6175.2-82.4-163.1-179.600113D9 S17D9-M13 WeakPolarHBondContact O-CB 3.41Å; D9-M13 WeakPolarHBondContact O-CG 3.25Å; D9-M13 PolarHBondContact O-N 2.76Å; M13-S17 WeakPolarHBondContact O-CB 3.3Å; M13-S17 PolarHBondContact O-N 3.23Å; M13-S17 PolarHBondContact O-OG 3.24Å
14K51.2Low51.5Low150 Ų150101.1 Ų101.165%0.65252%0.518SS*.Hα-helixtrans-65.8-47.8175.2-85.5-174.3171.7-164.80111.6K10 L11 I12 F16 S17 S18K10-K14 WeakPolarHBondContact O-CB 3.25Å; K10-K14 WeakPolarHBondContact O-CG 3.42Å; K10-K14 PolarHBondContact O-N 2.85Å; L11-K14 PolarHBondContact O-N 3.14Å; I12-K14 VanDerWaalsContact C-N 3.27Å; I12-K14 PolarHBondContact O-N 3.38Å; K14-F16 PolarHBondContact O-N 3.41Å; K14-S17 WeakPolarHBondContact CA-OG 3.21Å; K14-S17 PolarHBondContact O-N 2.97Å; K14-S17 VanDerWaalsContact O-N 3.1Å; K14-S17 PolarHBondContact O-OG 3Å; K14-S18 PolarHBondContact O-N 3.16Å; K14-S18 PolarHBondContact O-OG 3.17Å
15C50.1Low53.2Low73 Ų7394.9 Ų94.949%0.49349%0.492SS..Hα-helixtrans-61.4-44.7179.1-158.40000111.6L11 I12 S17 S18 V19L11-C15 PolarHBondContact O-N 2.88Å; I12-C15 PolarHBondContact O-N 3.34Å; I12-C15 VanDerWaalsContact O-N 3.15Å; C15-S17 PolarHBondContact O-N 3.04Å; C15-S18 WeakPolarHBondContact CA-OG 3.3Å; C15-S18 PolarHBondContact O-N 3.33Å; C15-S18 PolarHBondContact O-OG 3Å; C15-V19 WeakPolarHBondContact O-CG2 3.27Å; C15-V19 PolarHBondContact O-N 2.93Å
16F55.7Low54.8Low125 Ų12594 Ų9455%0.54849%0.487SS..Hα-helixtrans-56.6-47.7170.2-89.5-120.4000111.1I12 K14 S18 V19 F20I12-F16 HydrophobicContact CG2-CD2 3.79Å; I12-F16 HydrophobicContact CG2-CE2 3.8Å; I12-F16 WeakPolarHBondContact O-CB 3.44Å; I12-F16 WeakPolarHBondContact O-CD2 3.49Å; I12-F16 PolarHBondContact O-N 3.47Å; K14-F16 PolarHBondContact O-N 3.41Å; F16-S18 VanDerWaalsContact C-N 3.34Å; F16-S18 PolarHBondContact O-N 3.48Å; F16-V19 PolarHBondContact O-N 3.15Å; F16-F20 HydrophobicContact CB-CD2 4.3Å; F16-F20 HydrophobicContact CD1-CD2 4.12Å; F16-F20 AromaticContact CD1-CE2 3.61Å; F16-F20 HydrophobicContact CD1-CE2 3.61Å; F16-F20 HydrophobicContact CE1-CE2 4.07Å; F16-F20 HydrophobicContact CG-CE2 4.31Å; F16-F20 WeakPolarHBondContact O-CB 3.06Å; F16-F20 VanDerWaalsContact O-CD2 3.25Å; F16-F20 WeakPolarHBondContact O-CD2 3.32Å; F16-F20 PolarHBondContact O-N 3.37Å
17S54.3Low56.7Low66 Ų6687 Ų8746%0.46246%0.459SS..Hα-helixtrans-63.1-35.9-179.7710000113.4M13 K14 C15 S21M13-S17 WeakPolarHBondContact O-CB 3.3Å; M13-S17 PolarHBondContact O-N 3.23Å; M13-S17 PolarHBondContact O-OG 3.24Å; K14-S17 WeakPolarHBondContact CA-OG 3.21Å; K14-S17 PolarHBondContact O-N 2.97Å; K14-S17 VanDerWaalsContact O-N 3.1Å; K14-S17 PolarHBondContact O-OG 3Å; C15-S17 PolarHBondContact O-N 3.04Å; S17-S21 WeakPolarHBondContact O-CB 3.47Å; S17-S21 PolarHBondContact O-N 3.24Å; S17-S21 PolarHBondContact O-OG 3.29Å
18S56.7Low58.5Low53 Ų5383.3 Ų83.337%0.37144%0.444SS..Hα-helixtrans-67.9-49.417438.30000111.8K14 C15 F16 F20 S21 Q22K14-S18 PolarHBondContact O-N 3.16Å; K14-S18 PolarHBondContact O-OG 3.17Å; C15-S18 WeakPolarHBondContact CA-OG 3.3Å; C15-S18 PolarHBondContact O-N 3.33Å; C15-S18 PolarHBondContact O-OG 3Å; F16-S18 VanDerWaalsContact C-N 3.34Å; F16-S18 PolarHBondContact O-N 3.48Å; S18-F20 PolarHBondContact O-N 3Å; S18-S21 PolarHBondContact O-N 3.2Å; S18-S21 VanDerWaalsContact O-N 3.17Å; S18-S21 PolarHBondContact O-OG 2.94Å; S18-Q22 PolarHBondContact O-N 3.02Å
19V56.4Low59.9Low82 Ų8280.6 Ų80.650%0.49743%0.428SS..Hα-helixtrans-61.9-45-179.6173.30000111.1C15 F16 S21 Q22 S23C15-V19 WeakPolarHBondContact O-CG2 3.27Å; C15-V19 PolarHBondContact O-N 2.93Å; F16-V19 PolarHBondContact O-N 3.15Å; V19-S21 VanDerWaalsContact C-N 3.35Å; V19-S21 PolarHBondContact O-N 2.61Å; V19-Q22 PolarHBondContact O-N 2.94Å; V19-S23 PolarHBondContact O-N 3.05Å; V19-S23 PolarHBondContact O-OG 3.49Å
20F55Low61.4Low72 Ų7281.8 Ų81.832%0.31643%0.43SS..Hα-helixtrans-75.8-16.7177.3-71.2-63.7000114.5F16 S18 Q22 S23 L28 A29F16-F20 HydrophobicContact CB-CD2 4.3Å; F16-F20 HydrophobicContact CD1-CD2 4.12Å; F16-F20 AromaticContact CD1-CE2 3.61Å; F16-F20 HydrophobicContact CD1-CE2 3.61Å; F16-F20 HydrophobicContact CE1-CE2 4.07Å; F16-F20 HydrophobicContact CG-CE2 4.31Å; F16-F20 WeakPolarHBondContact O-CB 3.06Å; F16-F20 VanDerWaalsContact O-CD2 3.25Å; F16-F20 WeakPolarHBondContact O-CD2 3.32Å; F16-F20 PolarHBondContact O-N 3.37Å; S18-F20 PolarHBondContact O-N 3Å; F20-Q22 VanDerWaalsContact C-N 3.35Å; F20-S23 WeakPolarHBondContact CA-OG 3.36Å; F20-L28 HydrophobicContact CD1-CB 4.13Å; F20-L28 HydrophobicContact CD1-CD1 3.73Å; F20-L28 HydrophobicContact CE1-CD1 3.62Å; F20-A29 WeakPolarHBondContact O-CA 3.21Å
21S53.7Low63.2Low46 Ų4676.5 Ų76.532%0.32241%0.409SS..Hα-helixtrans-75.6-23.3169.173.30000113.6S17 S18 V19S17-S21 WeakPolarHBondContact O-CB 3.47Å; S17-S21 PolarHBondContact O-N 3.24Å; S17-S21 PolarHBondContact O-OG 3.29Å; S18-S21 PolarHBondContact O-N 3.2Å; S18-S21 VanDerWaalsContact O-N 3.17Å; S18-S21 PolarHBondContact O-OG 2.94Å; V19-S21 VanDerWaalsContact C-N 3.35Å; V19-S21 PolarHBondContact O-N 2.61Å
22Q58.2Low64.7Low165 Ų16571.9 Ų71.977%0.77139%0.389SS*.Hα-helixtrans-104.4-10.3178.8-69-176.4-47.300113.4S18 V19 F20 S24S18-Q22 PolarHBondContact O-N 3.02Å; V19-Q22 PolarHBondContact O-N 2.94Å; F20-Q22 VanDerWaalsContact C-N 3.35Å; Q22-S24 PolarHBondContact O-N 3.34Å
23S61.6Low65.8Low18 Ų1872.4 Ų72.413%0.12639%0.392CS..  trans-60.3128179.9-67.50000111.5V19 F20 L25V19-S23 PolarHBondContact O-N 3.05Å; V19-S23 PolarHBondContact O-OG 3.49Å; F20-S23 WeakPolarHBondContact CA-OG 3.36Å; S23-L25 PolarHBondContact O-N 3.46Å; S23-L25 VanDerWaalsContact O-N 3.07Å
24S65.1Low67.2Low35 Ų3565.8 Ų65.825%0.24536%0.361CS..SBendtrans-61.5-13.9174.155.50000113.6Q22 V26 F551 E554Q22-S24 PolarHBondContact O-N 3.34Å; S24-V26 VanDerWaalsContact C-N 3.27Å; S24-V26 PolarHBondContact O-N 3.42Å; S24-F551 WeakPolarHBondContact OG-CD2 3.36Å; S24-E554 WeakPolarHBondContact CB-OE2 3.23Å; S24-E554 PolarHBondContact OG-OE2 3.21Å
25L73Confident68.7Low22 Ų2264.4 Ų64.412%0.11537%0.367CS..  trans-63.480.9165.1-56.3178000111.4S23 P27 L28 A29 I545 F547 F551S23-L25 PolarHBondContact O-N 3.46Å; S23-L25 VanDerWaalsContact O-N 3.07Å; L25-P27 VanDerWaalsContact C-N 3.27Å; L25-P27 WeakPolarHBondContact O-CD 3.39Å; L25-L28 HydrophobicContact CB-CB 4.49Å; L25-L28 HydrophobicContact CB-CD1 4.22Å; L25-L28 HydrophobicContact CB-CG 4.43Å; L25-L28 HydrophobicContact CD1-CD1 3.82Å; L25-L28 PolarHBondContact O-N 2.82Å; L25-A29 PolarHBondContact O-N 3.39Å; L25-I545 HydrophobicContact CD2-CG2 3.64Å; L25-F547 HydrophobicContact CD2-CD2 4.16Å; L25-F551 HydrophobicContact CD1-CD2 4.38Å; L25-F551 HydrophobicContact CD1-CE2 3.66Å; L25-F551 HydrophobicContact CD1-CZ 3.75Å; L25-F551 HydrophobicContact CD2-CD2 4.15Å; L25-F551 HydrophobicContact CD2-CE2 4.22Å; L25-F551 HydrophobicContact CD2-CG 4.31Å; L25-F551 HydrophobicContact CD2-CZ 4.46Å; L25-F551 HydrophobicContact CG-CD2 3.91Å; L25-F551 HydrophobicContact CG-CE2 3.68Å; L25-F551 HydrophobicContact CG-CZ 4.17Å
26V75.6Confident70.5Confident78 Ų7863.2 Ų63.247%0.47336%0.359SS..Hα-helixtrans-40.3-44.5179.1-174.50000114S24 L28 A29 K30S24-V26 VanDerWaalsContact C-N 3.27Å; S24-V26 PolarHBondContact O-N 3.42Å; V26-L28 VanDerWaalsContact C-N 3.34Å; V26-L28 PolarHBondContact O-N 3Å; V26-A29 PolarHBondContact O-N 2.71Å; V26-K30 HydrophobicContact CG1-CG 4.31Å; V26-K30 VanDerWaalsContact O-CG 3.32Å; V26-K30 WeakPolarHBondContact O-CG 3.01Å; V26-K30 PolarHBondContact O-N 2.76Å
27P77.5Confident72Confident29 Ų2967.6 Ų67.619%0.18837%0.373CS..Hα-helixtrans-62.3-39.2-177.7-20.232.8000112.7L25 I31 T47 I545L25-P27 VanDerWaalsContact C-N 3.27Å; L25-P27 WeakPolarHBondContact O-CD 3.39Å; P27-I31 WeakPolarHBondContact O-CG1 3.42Å; P27-I31 PolarHBondContact O-N 3.35Å; P27-T47 HydrophobicContact CB-CG2 3.39Å; P27-I545 WeakPolarHBondContact CD-O 3.41Å; P27-I545 WeakPolarHBondContact CG-O 3.36Å
28L76.9Confident73.6Confident64 Ų6468.7 Ų68.734%0.33538%0.38SS..Hα-helixtrans-73.7-39.6178.1-61.8179.5000111.6F20 L25 V26 K30 I31 A32F20-L28 HydrophobicContact CD1-CB 4.13Å; F20-L28 HydrophobicContact CD1-CD1 3.73Å; F20-L28 HydrophobicContact CE1-CD1 3.62Å; L25-L28 HydrophobicContact CB-CB 4.49Å; L25-L28 HydrophobicContact CB-CD1 4.22Å; L25-L28 HydrophobicContact CB-CG 4.43Å; L25-L28 HydrophobicContact CD1-CD1 3.82Å; L25-L28 PolarHBondContact O-N 2.82Å; V26-L28 VanDerWaalsContact C-N 3.34Å; V26-L28 PolarHBondContact O-N 3Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.44Å; L28-I31 HydrophobicContact CD2-CD1 4.46Å; L28-I31 PolarHBondContact O-N 3.15Å; L28-I31 VanDerWaalsContact O-N 3.16Å; L28-A32 PolarHBondContact O-N 3.37Å
29A77.2Confident75Confident18 Ų1869 Ų6915%0.14938%0.377CS..Hα-helixtrans-61-36.7174.600000112.2F20 L25 V26 N33F20-A29 WeakPolarHBondContact O-CA 3.21Å; L25-A29 PolarHBondContact O-N 3.39Å; V26-A29 PolarHBondContact O-N 2.71Å; A29-N33 VanDerWaalsContact O-CB 3.31Å; A29-N33 WeakPolarHBondContact O-CB 3.35Å; A29-N33 PolarHBondContact O-N 3.34Å; A29-N33 PolarHBondContact O-ND2 3.06Å
30K83Confident76.5Confident102 Ų10270.4 Ų70.444%0.44337%0.374SS..Hα-helixtrans-66.2-40.7173.3-66.5-67.6-179.1-1770112.4V26 L28 A34 W43V26-K30 HydrophobicContact CG1-CG 4.31Å; V26-K30 VanDerWaalsContact O-CG 3.32Å; V26-K30 WeakPolarHBondContact O-CG 3.01Å; V26-K30 PolarHBondContact O-N 2.76Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.44Å; K30-A34 WeakPolarHBondContact O-CB 3.47Å; K30-A34 PolarHBondContact O-N 2.82Å; K30-A34 VanDerWaalsContact O-N 3.16Å; K30-W43 HydrophobicContact CB-CD2 3.76Å; K30-W43 HydrophobicContact CB-CE3 4.05Å; K30-W43 HydrophobicContact CB-CG 4.03Å; K30-W43 HydrophobicContact CB-CZ2 4.48Å; K30-W43 HydrophobicContact CD-CH2 4.38Å; K30-W43 HydrophobicContact CD-CZ2 4.1Å; K30-W43 HydrophobicContact CG-CD2 4.36Å; K30-W43 HydrophobicContact CG-CE3 4.35Å; K30-W43 HydrophobicContact CG-CH2 4.33Å; K30-W43 HydrophobicContact CG-CZ2 4.32Å; K30-W43 HydrophobicContact CG-CZ3 4.33Å
31I85.2Confident78.2Confident45 Ų4572 Ų7223%0.23138%0.384CS..Hα-helixtrans-64.8-44.7175.3-66167000111P27 L28 W43 A44 T47P27-I31 WeakPolarHBondContact O-CG1 3.42Å; P27-I31 PolarHBondContact O-N 3.35Å; L28-I31 HydrophobicContact CD2-CD1 4.46Å; L28-I31 PolarHBondContact O-N 3.15Å; L28-I31 VanDerWaalsContact O-N 3.16Å; I31-W43 HydrophobicContact CG1-CB 3.77Å; I31-A44 HydrophobicContact CD1-CB 4.36Å; I31-T47 HydrophobicContact CD1-CG2 3.75Å; I31-T47 HydrophobicContact CG1-CG2 4.34Å
32A80Confident79.9Confident29 Ų2974.2 Ų74.224%0.2439%0.392CS..Hα-helixtrans-62.5-47-179.400000112.1L28 R40L28-A32 PolarHBondContact O-N 3.37Å; A32-R40 PolarHBondContact O-NH2 2.81Å; A32-R40 VanDerWaalsContact O-NH2 3.13Å
33N81.8Confident81.4Confident105 Ų10570.1 Ų70.156%0.56137%0.369SS*.Hα-helixtrans-86.7-7.3-172.1-65.9-30.8000114.6A29A29-N33 VanDerWaalsContact O-CB 3.31Å; A29-N33 WeakPolarHBondContact O-CB 3.35Å; A29-N33 PolarHBondContact O-N 3.34Å; A29-N33 PolarHBondContact O-ND2 3.06Å
34A83.9Confident82.7Confident5 Ų571.1 Ų71.14%0.04138%0.379CS..  trans-66.7127.6179.400000112.3K30 L39 R40K30-A34 WeakPolarHBondContact O-CB 3.47Å; K30-A34 PolarHBondContact O-N 2.82Å; K30-A34 VanDerWaalsContact O-N 3.16Å; A34-L39 HydrophobicContact CB-CB 4.31Å; A34-L39 HydrophobicContact CB-CD2 4.06Å; A34-L39 HydrophobicContact CB-CG 4.02Å; A34-R40 HydrophobicContact CB-CG 3.73Å; A34-R40 VanDerWaalsContact O-CZ 3.26Å; A34-R40 PolarHBondContact O-NE 3.17Å; A34-R40 PolarHBondContact O-NH2 3.16Å
35P82.2Confident84Confident120 Ų12074 Ų7478%0.77939%0.391SS*.SBendtrans-76.5-32.6-174.327.1-35.7000114.7
36S88Confident84.8Confident48 Ų4875.6 Ų75.634%0.33640%0.401SS..SBendtrans-102.1150.5-177.270.60000112.8S38 L39 R40S36-S38 VanDerWaalsContact C-N 3.34Å; S36-S38 PolarHBondContact O-N 3.12Å; S36-S38 PolarHBondContact OG-OG 2.98Å; S36-L39 PolarHBondContact O-N 3.34Å; S36-L39 WeakPolarHBondContact OG-CB 3.26Å; S36-L39 PolarHBondContact OG-N 3.48Å; S36-R40 WeakPolarHBondContact O-CG 3.38Å; S36-R40 PolarHBondContact O-N 2.96Å; S36-R40 VanDerWaalsContact O-N 3.07Å
37R86.3Confident85.5Confident218 Ų21873.3 Ų73.382%0.82339%0.387SS*.Hα-helixtrans-62-39.8176.7-72.7-175.1177.3-178.4-1.1112.4R40 I41R37-R40 PolarHBondContact O-N 2.9Å; R37-I41 WeakPolarHBondContact O-CG1 3.43Å; R37-I41 PolarHBondContact O-N 2.65Å
38S87.5Confident86.1Confident88 Ų8874.1 Ų74.162%0.61540%0.397SS*.Hα-helixtrans-62.4-42.2176.646.50000112.1S36 I41 L42S36-S38 VanDerWaalsContact C-N 3.34Å; S36-S38 PolarHBondContact O-N 3.12Å; S36-S38 PolarHBondContact OG-OG 2.98Å; S38-I41 PolarHBondContact O-N 2.99Å; S38-L42 WeakPolarHBondContact O-CB 3.29Å; S38-L42 PolarHBondContact O-N 3.18Å
39L86.7Confident86.9Confident59 Ų5976.1 Ų76.131%0.30941%0.407SS..Hα-helixtrans-69.8-33.8177.8-172.162.9000112.3A34 S36 L42 W43A34-L39 HydrophobicContact CB-CB 4.31Å; A34-L39 HydrophobicContact CB-CD2 4.06Å; A34-L39 HydrophobicContact CB-CG 4.02Å; S36-L39 PolarHBondContact O-N 3.34Å; S36-L39 WeakPolarHBondContact OG-CB 3.26Å; S36-L39 PolarHBondContact OG-N 3.48Å; L39-L42 PolarHBondContact O-N 3.04Å; L39-W43 PolarHBondContact O-N 3.24Å
40R89.1Confident87.6Confident113 Ų11379.3 Ų79.343%0.42642%0.42SS..Hα-helixtrans-61.9-42.5170.8-71.3176.6-172.8-130.5-15.7112.1A32 A34 S36 R37 A44A32-R40 PolarHBondContact O-NH2 2.81Å; A32-R40 VanDerWaalsContact O-NH2 3.13Å; A34-R40 HydrophobicContact CB-CG 3.73Å; A34-R40 VanDerWaalsContact O-CZ 3.26Å; A34-R40 PolarHBondContact O-NE 3.17Å; A34-R40 PolarHBondContact O-NH2 3.16Å; S36-R40 WeakPolarHBondContact O-CG 3.38Å; S36-R40 PolarHBondContact O-N 2.96Å; S36-R40 VanDerWaalsContact O-N 3.07Å; R37-R40 PolarHBondContact O-N 2.9Å; R40-A44 VanDerWaalsContact O-CB 3.3Å; R40-A44 WeakPolarHBondContact O-CB 3.04Å; R40-A44 PolarHBondContact O-N 3.47Å
41I89.5Confident88Confident105 Ų10580.1 Ų80.154%0.53842%0.423SS..Hα-helixtrans-66.3-43.7176.4-67.7163.9000110.5R37 S38 A44 I45R37-I41 WeakPolarHBondContact O-CG1 3.43Å; R37-I41 PolarHBondContact O-N 2.65Å; S38-I41 PolarHBondContact O-N 2.99Å; I41-A44 PolarHBondContact O-N 2.98Å; I41-I45 HydrophobicContact CG2-CD1 3.8Å; I41-I45 HydrophobicContact CG2-CG1 4.46Å; I41-I45 WeakPolarHBondContact O-CG1 3.18Å; I41-I45 PolarHBondContact O-N 3.34Å
42L90.5Very high88.4Confident92 Ų9283.1 Ų83.148%0.48244%0.439SS..Hα-helixtrans-58.4-50.5176.1-174.7157.6000111.3S38 L39 A44 I45 V46S38-L42 WeakPolarHBondContact O-CB 3.29Å; S38-L42 PolarHBondContact O-N 3.18Å; L39-L42 PolarHBondContact O-N 3.04Å; L42-A44 PolarHBondContact O-N 3.29Å; L42-I45 PolarHBondContact O-N 3.38Å; L42-V46 HydrophobicContact CD2-CG2 4.22Å; L42-V46 WeakPolarHBondContact O-CG2 3.48Å; L42-V46 PolarHBondContact O-N 2.91Å
43W89Confident89.1Confident79 Ų7982.7 Ų82.730%0.29944%0.437SS..Hα-helixtrans-60.4-46.8175.5-76.1115.3000111.3K30 I31 L39 I45 V46 T47K30-W43 HydrophobicContact CB-CD2 3.76Å; K30-W43 HydrophobicContact CB-CE3 4.05Å; K30-W43 HydrophobicContact CB-CG 4.03Å; K30-W43 HydrophobicContact CB-CZ2 4.48Å; K30-W43 HydrophobicContact CD-CH2 4.38Å; K30-W43 HydrophobicContact CD-CZ2 4.1Å; K30-W43 HydrophobicContact CG-CD2 4.36Å; K30-W43 HydrophobicContact CG-CE3 4.35Å; K30-W43 HydrophobicContact CG-CH2 4.33Å; K30-W43 HydrophobicContact CG-CZ2 4.32Å; K30-W43 HydrophobicContact CG-CZ3 4.33Å; I31-W43 HydrophobicContact CG1-CB 3.77Å; L39-W43 PolarHBondContact O-N 3.24Å; W43-I45 VanDerWaalsContact C-N 3.28Å; W43-I45 PolarHBondContact O-N 3.08Å; W43-V46 CarbonylContact O-C 3.58Å; W43-V46 PolarHBondContact O-N 3.45Å; W43-T47 WeakPolarHBondContact O-CG2 3.01Å; W43-T47 PolarHBondContact O-N 3.2Å; W43-T47 PolarHBondContact O-OG1 3.17Å
44A88.6Confident89.7Confident40 Ų4078 Ų7833%0.33141%0.412SS..Hα-helixtrans-58.1-36.7178.800000113.6I31 R40 I41 L42 T47 A48I31-A44 HydrophobicContact CD1-CB 4.36Å; R40-A44 VanDerWaalsContact O-CB 3.3Å; R40-A44 WeakPolarHBondContact O-CB 3.04Å; R40-A44 PolarHBondContact O-N 3.47Å; I41-A44 PolarHBondContact O-N 2.98Å; L42-A44 PolarHBondContact O-N 3.29Å; A44-T47 WeakPolarHBondContact CA-OG1 3.03Å; A44-T47 PolarHBondContact O-OG1 3.5Å; A44-A48 VanDerWaalsContact O-CB 3.31Å; A44-A48 WeakPolarHBondContact O-CB 3.37Å; A44-A48 PolarHBondContact O-N 3.33Å
45I91.9Very high90.2Very high95 Ų9580.4 Ų80.449%0.48743%0.428SS..Hα-helixtrans-66.6-47.6173.3-69.2165.3000110.4I41 L42 W43 T47 A48 I49I41-I45 HydrophobicContact CG2-CD1 3.8Å; I41-I45 HydrophobicContact CG2-CG1 4.46Å; I41-I45 WeakPolarHBondContact O-CG1 3.18Å; I41-I45 PolarHBondContact O-N 3.34Å; L42-I45 PolarHBondContact O-N 3.38Å; W43-I45 VanDerWaalsContact C-N 3.28Å; W43-I45 PolarHBondContact O-N 3.08Å; I45-T47 VanDerWaalsContact C-N 3.34Å; I45-T47 PolarHBondContact O-N 3.43Å; I45-A48 PolarHBondContact O-N 3.39Å; I45-I49 HydrophobicContact CG2-CD1 3.81Å; I45-I49 WeakPolarHBondContact O-CG1 3.16Å; I45-I49 PolarHBondContact O-N 3.06Å
46V90.4Very high90.8Very high55 Ų5578.5 Ų78.533%0.33341%0.413SS..Hα-helixtrans-60.8-42.1176.9173.10000111.4L42 W43 A48 I49 M50L42-V46 HydrophobicContact CD2-CG2 4.22Å; L42-V46 WeakPolarHBondContact O-CG2 3.48Å; L42-V46 PolarHBondContact O-N 2.91Å; W43-V46 CarbonylContact O-C 3.58Å; W43-V46 PolarHBondContact O-N 3.45Å; V46-A48 PolarHBondContact O-N 2.03Å; V46-I49 PolarHBondContact O-N 2.97Å; V46-M50 WeakPolarHBondContact O-CG 3.26Å; V46-M50 PolarHBondContact O-N 3.26Å
47T89.8Confident91.2Very high30 Ų3078.1 Ų78.118%0.18441%0.41CS..Hα-helixtrans-66.8-36.9177.365.10000112.1P27 I31 W43 A44 I45 F51P27-T47 HydrophobicContact CB-CG2 3.39Å; I31-T47 HydrophobicContact CD1-CG2 3.75Å; I31-T47 HydrophobicContact CG1-CG2 4.34Å; W43-T47 WeakPolarHBondContact O-CG2 3.01Å; W43-T47 PolarHBondContact O-N 3.2Å; W43-T47 PolarHBondContact O-OG1 3.17Å; A44-T47 WeakPolarHBondContact CA-OG1 3.03Å; A44-T47 PolarHBondContact O-OG1 3.5Å; I45-T47 VanDerWaalsContact C-N 3.34Å; I45-T47 PolarHBondContact O-N 3.43Å; T47-F51 VanDerWaalsContact O-CB 3.24Å; T47-F51 WeakPolarHBondContact O-CB 3.42Å; T47-F51 PolarHBondContact O-N 2.85Å
48A91.2Very high91.6Very high47 Ų4769.8 Ų69.839%0.38838%0.382SS..Hα-helixtrans-66.8-42.817600000111.6A44 I45 V46 F51 I52A44-A48 VanDerWaalsContact O-CB 3.31Å; A44-A48 WeakPolarHBondContact O-CB 3.37Å; A44-A48 PolarHBondContact O-N 3.33Å; I45-A48 PolarHBondContact O-N 3.39Å; V46-A48 PolarHBondContact O-N 2.03Å; A48-F51 PolarHBondContact O-N 3.34Å; A48-I52 WeakPolarHBondContact O-CB 3.44Å; A48-I52 WeakPolarHBondContact O-CD1 3.48Å; A48-I52 VanDerWaalsContact O-CG1 3.24Å; A48-I52 WeakPolarHBondContact O-CG1 3.24Å; A48-I52 PolarHBondContact O-N 2.85Å
49I92.8Very high92Very high106 Ų10669 Ų6954%0.54438%0.376SS..Hα-helixtrans-61.5-46.5175.6-68.2165.6000110.8I45 V46 F51 I52 G53I45-I49 HydrophobicContact CG2-CD1 3.81Å; I45-I49 WeakPolarHBondContact O-CG1 3.16Å; I45-I49 PolarHBondContact O-N 3.06Å; V46-I49 PolarHBondContact O-N 2.97Å; I49-F51 PolarHBondContact O-N 2.85Å; I49-I52 PolarHBondContact O-N 2.77Å; I49-G53 PolarHBondContact O-N 3.28Å
50M91.9Very high92.3Very high85 Ų8571.1 Ų71.142%0.41939%0.387SS..Hα-helixtrans-66.8-35.5178.1-67.4-6117300112.6V46 G53 L54 F544V46-M50 WeakPolarHBondContact O-CG 3.26Å; V46-M50 PolarHBondContact O-N 3.26Å; M50-G53 PolarHBondContact O-N 2.89Å; M50-L54 WeakPolarHBondContact O-CB 3.41Å; M50-L54 PolarHBondContact O-N 3.39Å; M50-F544 HydrophobicContact CB-CD1 4.14Å; M50-F544 WeakPolarHBondContact O-CD1 3.07Å; M50-F544 HydrophobicContact SD-CD1 3.82Å; M50-F544 HydrophobicContact SD-CE1 4.13Å
51F91.2Very high92.6Very high118 Ų11866.5 Ų66.552%0.51837%0.372SS..Hα-helixtrans-67.6-42.3174.8-173.7-95.5000112.2T47 A48 I49 G53 L54 C55 I545T47-F51 VanDerWaalsContact O-CB 3.24Å; T47-F51 WeakPolarHBondContact O-CB 3.42Å; T47-F51 PolarHBondContact O-N 2.85Å; A48-F51 PolarHBondContact O-N 3.34Å; I49-F51 PolarHBondContact O-N 2.85Å; F51-G53 VanDerWaalsContact C-N 3.35Å; F51-L54 PolarHBondContact O-N 3.38Å; F51-C55 PolarHBondContact O-N 3.29Å; F51-C55 PolarHBondContact O-SG 3.06Å; F51-C55 VanDerWaalsContact O-SG 3.37Å; F51-I545 HydrophobicContact CD2-CD1 4.09Å
52I94.1Very high92.7Very high109 Ų10964 Ų6456%0.55936%0.361SS*.Hα-helixtrans-62.1-44.3173.8-69162.6000110.3A48 I49 L54 C55 V56A48-I52 WeakPolarHBondContact O-CB 3.44Å; A48-I52 WeakPolarHBondContact O-CD1 3.48Å; A48-I52 VanDerWaalsContact O-CG1 3.24Å; A48-I52 WeakPolarHBondContact O-CG1 3.24Å; A48-I52 PolarHBondContact O-N 2.85Å; I49-I52 PolarHBondContact O-N 2.77Å; I52-L54 PolarHBondContact O-N 3.48Å; I52-C55 PolarHBondContact O-N 3.43Å; I52-V56 WeakPolarHBondContact O-CG2 3.18Å; I52-V56 PolarHBondContact O-N 2.94Å
53G94.1Very high92.8Very high20 Ų2065.7 Ų65.721%0.20637%0.368CS..Hα-helixtrans-56.3-48.3173.900000112.4I49 M50 F51 C55 V56 C57I49-G53 PolarHBondContact O-N 3.28Å; M50-G53 PolarHBondContact O-N 2.89Å; F51-G53 VanDerWaalsContact C-N 3.35Å; G53-C55 PolarHBondContact O-N 3.04Å; G53-V56 PolarHBondContact O-N 3.34Å; G53-C57 WeakPolarHBondContact O-CB 3.44Å; G53-C57 PolarHBondContact O-N 2.86Å; G53-C57 PolarHBondContact O-SG 2.9Å; G53-C57 VanDerWaalsContact O-SG 3.35Å
54L94.4Very high92.8Very high7 Ų766.9 Ų66.94%0.03738%0.377CS..Hα-helixtrans-57.7-48.7175.2-179.661.4000112.3M50 F51 I52 V56 C57 I58 L540 F544 I545M50-L54 WeakPolarHBondContact O-CB 3.41Å; M50-L54 PolarHBondContact O-N 3.39Å; F51-L54 PolarHBondContact O-N 3.38Å; I52-L54 PolarHBondContact O-N 3.48Å; L54-V56 VanDerWaalsContact C-N 3.32Å; L54-V56 PolarHBondContact O-N 2.64Å; L54-C57 PolarHBondContact O-N 3Å; L54-I58 HydrophobicContact CD1-CD1 3.65Å; L54-I58 HydrophobicContact CD1-CG1 3.92Å; L54-I58 HydrophobicContact CD2-CD1 4.4Å; L54-I58 HydrophobicContact CG-CD1 3.77Å; L54-I58 HydrophobicContact CG-CG1 4.35Å; L54-I58 WeakPolarHBondContact O-CB 3.42Å; L54-I58 WeakPolarHBondContact O-CG1 3.32Å; L54-I58 PolarHBondContact O-N 3.44Å; L54-L540 HydrophobicContact CD1-CB 3.71Å; L54-F544 HydrophobicContact CB-CB 3.79Å; L54-F544 HydrophobicContact CB-CD1 4.47Å; L54-F544 HydrophobicContact CB-CD2 4Å; L54-F544 HydrophobicContact CB-CG 3.85Å; L54-F544 HydrophobicContact CD1-CB 4.16Å; L54-F544 HydrophobicContact CD1-CD2 3.82Å; L54-F544 HydrophobicContact CD1-CG 4.31Å; L54-F544 HydrophobicContact CD2-CB 4.39Å; L54-F544 HydrophobicContact CG-CB 4.33Å; L54-I545 HydrophobicContact CD2-CD1 3.36Å; L54-I545 HydrophobicContact CD2-CG1 3.88Å
55C94.6Very high92.8Very high54 Ų5467.9 Ų67.937%0.36537%0.373SS..Hα-helixtrans-60.8-40.3179.3-71.20000112.3F51 I52 G53 S59F51-C55 PolarHBondContact O-N 3.29Å; F51-C55 PolarHBondContact O-SG 3.06Å; F51-C55 VanDerWaalsContact O-SG 3.37Å; I52-C55 PolarHBondContact O-N 3.43Å; G53-C55 PolarHBondContact O-N 3.04Å; C55-S59 WeakPolarHBondContact O-CB 3.43Å; C55-S59 PolarHBondContact O-N 3.02Å; C55-S59 PolarHBondContact O-OG 3Å
56V96.1Very high92.7Very high80 Ų8068.3 Ų68.349%0.48538%0.375SS..Hα-helixtrans-66.1-47.9175.3172.30000110.8I52 G53 L54 S59 L60I52-V56 WeakPolarHBondContact O-CG2 3.18Å; I52-V56 PolarHBondContact O-N 2.94Å; G53-V56 PolarHBondContact O-N 3.34Å; L54-V56 VanDerWaalsContact C-N 3.32Å; L54-V56 PolarHBondContact O-N 2.64Å; V56-S59 PolarHBondContact O-N 2.92Å; V56-L60 HydrophobicContact CG1-CD1 4.11Å; V56-L60 WeakPolarHBondContact O-CG 3.46Å; V56-L60 PolarHBondContact O-N 3.3Å
57C95.8Very high92.5Very high40 Ų4071.3 Ų71.327%0.2738%0.384SS..Hα-helixtrans-62.1-44.8178.9-69.70000112.6G53 L54 S59 L60 V61 L540 F544G53-C57 WeakPolarHBondContact O-CB 3.44Å; G53-C57 PolarHBondContact O-N 2.86Å; G53-C57 PolarHBondContact O-SG 2.9Å; G53-C57 VanDerWaalsContact O-SG 3.35Å; L54-C57 PolarHBondContact O-N 3Å; C57-S59 VanDerWaalsContact C-N 3.33Å; C57-S59 PolarHBondContact O-N 3.07Å; C57-L60 PolarHBondContact O-N 2.84Å; C57-V61 WeakPolarHBondContact O-CG2 3.48Å; C57-V61 PolarHBondContact O-N 2.72Å; C57-L540 HydrophobicContact CB-CD1 3.85Å; C57-L540 HydrophobicContact CB-CD2 3.78Å; C57-L540 HydrophobicContact CB-CG 4.43Å; C57-F544 HydrophobicContact CB-CE2 4.23Å
58I95Very high92.1Very high44 Ų4474.2 Ų74.223%0.22640%0.395CS..Hα-helixtrans-61.1-43.4174.6-69.9175.3000110.4L54 L60 V61 V62 V537 L540L54-I58 HydrophobicContact CD1-CD1 3.65Å; L54-I58 HydrophobicContact CD1-CG1 3.92Å; L54-I58 HydrophobicContact CD2-CD1 4.4Å; L54-I58 HydrophobicContact CG-CD1 3.77Å; L54-I58 HydrophobicContact CG-CG1 4.35Å; L54-I58 WeakPolarHBondContact O-CB 3.42Å; L54-I58 WeakPolarHBondContact O-CG1 3.32Å; L54-I58 PolarHBondContact O-N 3.44Å; I58-L60 VanDerWaalsContact C-N 3.31Å; I58-L60 PolarHBondContact O-N 2.72Å; I58-V61 PolarHBondContact O-N 2.81Å; I58-V62 HydrophobicContact CG2-CG2 4.14Å; I58-V62 WeakPolarHBondContact O-CB 3.46Å; I58-V62 VanDerWaalsContact O-CG2 3.32Å; I58-V62 WeakPolarHBondContact O-CG2 3.45Å; I58-V62 PolarHBondContact O-N 3.41Å; I58-V537 HydrophobicContact CD1-CG1 4.24Å; I58-V537 HydrophobicContact CG1-CG1 4.41Å; I58-L540 HydrophobicContact CG1-CD1 4.19Å
59S95Very high91.9Very high70 Ų7076.1 Ų76.149%0.4940%0.396SS..Hα-helixtrans-61.3-40178.6-58.20000112C55 V56 C57 M63C55-S59 WeakPolarHBondContact O-CB 3.43Å; C55-S59 PolarHBondContact O-N 3.02Å; C55-S59 PolarHBondContact O-OG 3Å; V56-S59 PolarHBondContact O-N 2.92Å; C57-S59 VanDerWaalsContact C-N 3.33Å; C57-S59 PolarHBondContact O-N 3.07Å; S59-M63 WeakPolarHBondContact O-CB 3.4Å; S59-M63 WeakPolarHBondContact O-CG 3.27Å; S59-M63 PolarHBondContact O-N 3.2Å
60L94.4Very high91.6Very high105 Ų10573 Ų7355%0.5538%0.382SS..Hα-helixtrans-65.8-43.6176.1-70170.7000112.2V56 C57 I58 M63 Q64V56-L60 HydrophobicContact CG1-CD1 4.11Å; V56-L60 WeakPolarHBondContact O-CG 3.46Å; V56-L60 PolarHBondContact O-N 3.3Å; C57-L60 PolarHBondContact O-N 2.84Å; I58-L60 VanDerWaalsContact C-N 3.31Å; I58-L60 PolarHBondContact O-N 2.72Å; L60-M63 PolarHBondContact O-N 3.33Å; L60-Q64 WeakPolarHBondContact O-CG 3.39Å; L60-Q64 PolarHBondContact O-N 2.98Å
61V93.7Very high91.6Very high16 Ų1672.4 Ų72.410%0.09738%0.383CS..Hα-helixtrans-64.8-42.9176.9172.30000111.4C57 I58 M63 Q64 Y65 F528 L533 E536 V537 L540C57-V61 WeakPolarHBondContact O-CG2 3.48Å; C57-V61 PolarHBondContact O-N 2.72Å; I58-V61 PolarHBondContact O-N 2.81Å; V61-M63 VanDerWaalsContact C-N 3.35Å; V61-M63 PolarHBondContact O-N 3.19Å; V61-Q64 WeakPolarHBondContact O-CB 3.38Å; V61-Q64 PolarHBondContact O-N 3.11Å; V61-Q64 VanDerWaalsContact O-N 3.17Å; V61-Y65 PolarHBondContact O-N 3.26Å; V61-F528 HydrophobicContact CG1-CE1 3.99Å; V61-F528 HydrophobicContact CG1-CZ 3.58Å; V61-L533 HydrophobicContact CG1-CD1 3.92Å; V61-E536 HydrophobicContact CG1-CB 4.29Å; V61-V537 HydrophobicContact CG1-CG2 4.39Å; V61-L540 HydrophobicContact CG2-CD1 3.96Å
62V92.8Very high91.5Very high52 Ų5271.4 Ų71.432%0.31538%0.378SS..Hα-helixtrans-63.9-39.3175.31710000111.3I58 Q64 Y65 L66 L533I58-V62 HydrophobicContact CG2-CG2 4.14Å; I58-V62 WeakPolarHBondContact O-CB 3.46Å; I58-V62 VanDerWaalsContact O-CG2 3.32Å; I58-V62 WeakPolarHBondContact O-CG2 3.45Å; I58-V62 PolarHBondContact O-N 3.41Å; V62-Q64 VanDerWaalsContact C-N 3.31Å; V62-Q64 PolarHBondContact O-N 2.89Å; V62-Y65 PolarHBondContact O-N 3.48Å; V62-L66 HydrophobicContact CG1-CD1 3.84Å; V62-L66 HydrophobicContact CG1-CG 4.29Å; V62-L66 WeakPolarHBondContact O-CB 3.15Å; V62-L66 VanDerWaalsContact O-CG 3.3Å; V62-L66 WeakPolarHBondContact O-CG 3.42Å; V62-L66 PolarHBondContact O-N 3.24Å; V62-L533 HydrophobicContact CG2-CD1 4.36Å
63M91.6Very high91.4Very high128 Ų12870.3 Ų70.363%0.63137%0.371SS*.Hα-helixtrans-67.8-27.3174.3-73.6-65.2-65.400113.4S59 L60 V61 K67S59-M63 WeakPolarHBondContact O-CB 3.4Å; S59-M63 WeakPolarHBondContact O-CG 3.27Å; S59-M63 PolarHBondContact O-N 3.2Å; L60-M63 PolarHBondContact O-N 3.33Å; V61-M63 VanDerWaalsContact C-N 3.35Å; V61-M63 PolarHBondContact O-N 3.19Å; M63-K67 PolarHBondContact O-N 3.07Å
64Q89Confident91.2Very high104 Ų10474.9 Ų74.949%0.48639%0.39SS..Hα-helixtrans-72.5-42.2171.3-73.4178.32.900111.7L60 V61 V62 K67L60-Q64 WeakPolarHBondContact O-CG 3.39Å; L60-Q64 PolarHBondContact O-N 2.98Å; V61-Q64 WeakPolarHBondContact O-CB 3.38Å; V61-Q64 PolarHBondContact O-N 3.11Å; V61-Q64 VanDerWaalsContact O-N 3.17Å; V62-Q64 VanDerWaalsContact C-N 3.31Å; V62-Q64 PolarHBondContact O-N 2.89Å; Q64-K67 WeakPolarHBondContact O-CB 3.1Å; Q64-K67 PolarHBondContact O-N 3.36Å
65Y89.5Confident90.9Very high61 Ų6177.5 Ų77.524%0.23940%0.404CS..Hα-helixtrans-58.8-52.7173.4175.1-124.1000111.9V61 V62 K67 H68 F528 L533V61-Y65 PolarHBondContact O-N 3.26Å; V62-Y65 PolarHBondContact O-N 3.48Å; Y65-K67 PolarHBondContact O-N 2.81Å; Y65-H68 PolarHBondContact O-N 3.26Å; Y65-H68 VanDerWaalsContact O-N 3.11Å; Y65-F528 AromaticContact CD2-CD1 3.92Å; Y65-F528 HydrophobicContact CD2-CD1 3.92Å; Y65-F528 WeakPolarHBondContact CD2-O 3.3Å; Y65-F528 HydrophobicContact CG-CD1 4.22Å; Y65-L533 HydrophobicContact CD1-CD2 3.67Å; Y65-L533 HydrophobicContact CE1-CD2 3.81Å; Y65-L533 HydrophobicContact CG-CD2 4.06Å
66L88.7Confident90.5Very high103 Ų10382.4 Ų82.454%0.53942%0.416SS..THydrogen-bonded Turntrans-63.6-8.5179.8-68.2173.4000114.6V62 H68V62-L66 HydrophobicContact CG1-CD1 3.84Å; V62-L66 HydrophobicContact CG1-CG 4.29Å; V62-L66 WeakPolarHBondContact O-CB 3.15Å; V62-L66 VanDerWaalsContact O-CG 3.3Å; V62-L66 WeakPolarHBondContact O-CG 3.42Å; V62-L66 PolarHBondContact O-N 3.24Å; L66-H68 VanDerWaalsContact C-N 3.35Å
67K85.9Confident89.7Confident118 Ų11880 Ų8051%0.51340%0.403SS..THydrogen-bonded Turntrans-82.1-12.7176.6-167.1175.8165.5-158.90112.9M63 Q64 Y65 Q69M63-K67 PolarHBondContact O-N 3.07Å; Q64-K67 WeakPolarHBondContact O-CB 3.1Å; Q64-K67 PolarHBondContact O-N 3.36Å; Y65-K67 PolarHBondContact O-N 2.81Å; K67-Q69 VanDerWaalsContact C-N 3.34Å; K67-Q69 HydrophobicContact CB-CG 4.17Å; K67-Q69 HydrophobicContact CD-CG 3.83Å; K67-Q69 HydrophobicContact CG-CG 3.78Å; K67-Q69 VanDerWaalsContact NZ-CD 3.3Å; K67-Q69 PolarHBondContact O-N 2.85Å
68H82.7Confident88.6Confident91 Ų9180.1 Ų80.142%0.42141%0.411SS..  trans44.954.6-178.7-67.5-80.9000112.8Y65 L66 E526Y65-H68 PolarHBondContact O-N 3.26Å; Y65-H68 VanDerWaalsContact O-N 3.11Å; L66-H68 VanDerWaalsContact C-N 3.35Å; H68-E526 IonicContact CE1-OE1 3.69Å; H68-E526 IonicContact CG-OE1 3.8Å; H68-E526 IonicContact ND1-OE1 2.78Å; H68-E526 PolarHBondContact ND1-OE1 3.48Å
69Q85.8Confident86.9Confident88 Ų8882.2 Ų82.241%0.41142%0.416SS..  trans-79.3123176.5-60.5-160.4-121.100110.4K67 I527K67-Q69 VanDerWaalsContact C-N 3.34Å; K67-Q69 HydrophobicContact CB-CG 4.17Å; K67-Q69 HydrophobicContact CD-CG 3.83Å; K67-Q69 HydrophobicContact CG-CG 3.78Å; K67-Q69 VanDerWaalsContact NZ-CD 3.3Å; K67-Q69 PolarHBondContact O-N 2.85Å; Q69-I527 HydrophobicContact CB-CD1 3.92Å; Q69-I527 WeakPolarHBondContact O-CB 3.31Å; Q69-I527 WeakPolarHBondContact O-CG1 3.22Å; Q69-I527 PolarHBondContact O-N 3.09Å
70T87.5Confident85.2Confident41 Ų4186.9 Ų86.925%0.25243%0.43SS..EExtended strand (participates in β ladder)trans-97.7160.1174.953.30000112.6L280 E524 E525 I527T70-L280 HydrophobicContact CG2-CD2 4.23Å; T70-E524 VanDerWaalsContact CB-OE1 3.27Å; T70-E524 WeakPolarHBondContact CB-OE1 3.47Å; T70-E524 HydrophobicContact CG2-CG 3.91Å; T70-E524 PolarHBondContact OG1-OE1 2.9Å; T70-E525 CarbonylContact C-O 3.49Å; T70-E525 WeakPolarHBondContact CA-O 3.39Å; T70-I527 WeakPolarHBondContact O-CD1 3.41Å
71V90.9Very high83.6Confident72 Ų7284 Ų8444%0.43642%0.416SS..EExtended strand (participates in β ladder)trans-139.1146.8172.962.90000109.5E524 E525 I527V71-E524 WeakPolarHBondContact O-CA 3.24Å; V71-E525 PolarHBondContact N-O 3.15Å; V71-E525 PolarHBondContact O-N 2.91Å; V71-I527 HydrophobicContact CB-CD1 3.99Å; V71-I527 HydrophobicContact CB-CG1 3.64Å; V71-I527 HydrophobicContact CG1-CD1 4.49Å; V71-I527 HydrophobicContact CG1-CG1 3.61Å
72F90.4Very high82.3Confident96 Ų9686.1 Ų86.142%0.42143%0.429SS..EExtended strand (participates in β ladder)trans-90.3113.6171.1-71-85.5000110.4T277 R279 M523 E524F72-T277 HydrophobicContact CD1-CG2 4.34Å; F72-T277 HydrophobicContact CE1-CG2 3.79Å; F72-R279 HydrophobicContact CE1-CG 4.39Å; F72-R279 HydrophobicContact CZ-CG 4.5Å; F72-M523 CarbonylContact C-O 3.5Å; F72-M523 WeakPolarHBondContact CA-O 3.36Å; F72-E524 HydrophobicContact CD1-CB 4.02Å; F72-E524 HydrophobicContact CE1-CB 3.62Å; F72-E524 HydrophobicContact CE1-CG 4.14Å; F72-E524 HydrophobicContact CE2-CG 4.39Å; F72-E524 HydrophobicContact CZ-CB 4Å; F72-E524 HydrophobicContact CZ-CG 4Å
73Q90.8Very high81.3Confident87 Ų8785.3 Ų85.341%0.40742%0.421SS..EExtended strand (participates in β ladder)trans-80.3137.9164.5-176.9165.4-71.900109.3D75 A522 M523Q73-D75 PolarHBondContact NE2-OD2 3.2Å; Q73-A522 CarbonylContact O-C 3.53Å; Q73-A522 VanDerWaalsContact O-CA 3.29Å; Q73-A522 WeakPolarHBondContact O-CA 3.36Å; Q73-M523 PolarHBondContact N-O 3.23Å; Q73-M523 PolarHBondContact O-N 3.16Å
74L90.8Very high80.5Confident116 Ų11680.1 Ų80.161%0.60740%0.396SS*.EExtended strand (participates in β ladder)trans-111.299.2179.4-70.9173000110.3A522L74-A522 HydrophobicContact CD2-CB 3.61Å
75D88.5Confident80.1Confident62 Ų6277.2 Ų77.233%0.33238%0.382SS..EExtended strand (participates in β ladder)trans-102.1152.7177.1-72.7-44.4000111.8Q73 V521 M523Q73-D75 PolarHBondContact NE2-OD2 3.2Å; D75-V521 PolarHBondContact N-O 3.45Å; D75-V521 PolarHBondContact O-N 2.91Å; D75-M523 WeakPolarHBondContact OD2-CE 3.45Å
76Y86Confident80Confident156 Ų15675 Ų7561%0.61238%0.375SS*.EExtended strand (participates in β ladder)trans-111.1108.4177-71.1-97.3000109.9Q520Y76-Q520 HydrophobicContact CD1-CG 4.14Å; Y76-Q520 HydrophobicContact CE1-CG 3.76Å
77S79.1Confident80.2Confident30 Ų3070.1 Ų70.121%0.2135%0.35CS..EExtended strand (participates in β ladder)trans-89.1134.1179.1-81.10000111.7S518 V519 V521S77-S518 CarbonylContact O-C 3.51Å; S77-S518 VanDerWaalsContact O-CA 3.23Å; S77-S518 WeakPolarHBondContact O-CA 3.44Å; S77-V519 PolarHBondContact N-O 3.18Å; S77-V519 PolarHBondContact O-N 3.14Å; S77-V521 WeakPolarHBondContact OG-CG2 3.25Å
78G72.3Confident80.5Confident42 Ų4264.5 Ų64.543%0.43333%0.325SS..EExtended strand (participates in β ladder)trans-79.3174.7175.900000114.2H80 T81G78-H80 PolarHBondContact O-N 3.29Å; G78-T81 PolarHBondContact O-N 2.99Å; G78-T81 PolarHBondContact O-OG1 2.77Å
79R60.6Low81.1Confident88 Ų8860.2 Ų60.233%0.33231%0.305SS..THydrogen-bonded Turntrans-53.9-12.6-177.9-63.2-170.6169.1110.5-0117D84 S217 E517R79-D84 WeakPolarHBondContact CA-OD2 3.43Å; R79-D84 VanDerWaalsContact O-OD2 3.08Å; R79-S217 PolarHBondContact O-OG 3.43Å; R79-S217 VanDerWaalsContact O-OG 3.11Å; R79-E517 WeakPolarHBondContact CG-O 3.34Å; R79-E517 IonicContact CZ-OE1 3.18Å; R79-E517 IonicContact NH1-OE1 2.73Å; R79-E517 PolarHBondContact NH1-OE1 3.05Å; R79-E517 VanDerWaalsContact NH2-CG 3.34Å; R79-E517 IonicContact NH2-OE1 2.78Å; R79-E517 PolarHBondContact NH2-OE1 3.33Å
80H57.8Low81.5Confident168 Ų16856 Ų5678%0.77829%0.285SS*.THydrogen-bonded Turntrans-101.835.1178.6-60.7-65.3000112.6G78G78-H80 PolarHBondContact O-N 3.29Å
81T60.5Low81.9Confident44 Ų4454.2 Ų54.227%0.2727%0.274SS..SBendtrans-111147.5175.452.40000111.5G78 Y83 D84G78-T81 PolarHBondContact O-N 2.99Å; G78-T81 PolarHBondContact O-OG1 2.77Å; T81-Y83 PolarHBondContact O-N 3.38Å; T81-D84 WeakPolarHBondContact O-CB 3.33Å; T81-D84 PolarHBondContact O-N 3.16Å
82V67.6Low82Confident61 Ų6150.8 Ų50.837%0.3725%0.253SS..THydrogen-bonded Turntrans-53.3-23.5-175.1174.40000113.7A293 K294 A297V82-A293 HydrophobicContact CG1-CB 3.91Å; V82-A293 WeakPolarHBondContact CG1-O 3.24Å; V82-K294 HydrophobicContact CG1-CB 4.04Å; V82-A297 HydrophobicContact CG1-CB 4.35Å
83Y72Confident82.1Confident35 Ų3547.2 Ų47.214%0.13724%0.24CC..THydrogen-bonded Turntrans-83.1-7.7179.9-55.6-62.4000114.7T81 Q85 K274 V276 D292 A293 I485T81-Y83 PolarHBondContact O-N 3.38Å; Y83-Q85 PolarHBondContact O-N 2.88Å; Y83-K274 WeakPolarHBondContact O-CE 3.48Å; Y83-K274 PolarHBondContact O-NZ 2.78Å; Y83-V276 HydrophobicContact CD1-CG1 4.24Å; Y83-V276 HydrophobicContact CD1-CG2 4.41Å; Y83-V276 HydrophobicContact CD2-CG1 4.49Å; Y83-V276 HydrophobicContact CD2-CG2 4.47Å; Y83-V276 HydrophobicContact CE1-CG1 4.28Å; Y83-V276 HydrophobicContact CG-CG1 4.37Å; Y83-V276 HydrophobicContact CG-CG2 4.04Å; Y83-D292 PolarHBondContact OH-OD2 3.48Å; Y83-A293 HydrophobicContact CD1-CB 3.72Å; Y83-A293 HydrophobicContact CE1-CB 4.02Å; Y83-I485 HydrophobicContact CE1-CG2 4.36Å
84D74.9Confident82.1Confident20 Ų2046.1 Ų46.111%0.10724%0.235CC..  trans-78.339.1-177.7-159.231.1000114R79 T81 S217 R515R79-D84 WeakPolarHBondContact CA-OD2 3.43Å; R79-D84 VanDerWaalsContact O-OD2 3.08Å; T81-D84 WeakPolarHBondContact O-CB 3.33Å; T81-D84 PolarHBondContact O-N 3.16Å; D84-S217 VanDerWaalsContact OD2-CB 3.29Å; D84-S217 WeakPolarHBondContact OD2-CB 3.4Å; D84-S217 PolarHBondContact OD2-OG 3.05Å; D84-R515 IonicContact OD1-CZ 3.79Å; D84-R515 IonicContact OD1-NH1 2.76Å; D84-R515 PolarHBondContact OD1-NH1 2.68Å; D84-R515 IonicContact OD1-NH2 2.61Å; D84-R515 IonicContact OD2-CZ 3.43Å; D84-R515 IonicContact OD2-NH1 3.2Å; D84-R515 PolarHBondContact OD2-NH1 3Å; D84-R515 IonicContact OD2-NH2 2.91Å; D84-R515 PolarHBondContact OD2-NH2 3.39Å
85Q80.3Confident82Confident43 Ų4343 Ų4320%0.20122%0.222CC..PPolyproline II helixtrans-75.7155.8176.7-57.3-166.115.100112Y83Y83-Q85 PolarHBondContact O-N 2.88Å
86V87.6Confident81.9Confident13 Ų1346.5 Ų46.58%0.07924%0.237CC..PPolyproline II helixtrans-64.6134.4170.6-165.70000109.1Y188 L209 W218 L221V86-Y188 HydrophobicContact CG2-CE1 3.73Å; V86-L209 HydrophobicContact CB-CB 4.46Å; V86-L209 HydrophobicContact CG1-CB 4.18Å; V86-L209 HydrophobicContact CG2-CB 4.47Å; V86-W218 HydrophobicContact CG2-CG 4.14Å; V86-L221 HydrophobicContact CG1-CD2 3.93Å
87P92Very high82Confident2 Ų240.6 Ų40.61%0.01322%0.215CC..PPolyproline II helixtrans-62.6152.7172.626.1-34.9000112I89 H244 F489P87-I89 HydrophobicContact CB-CD1 4.5Å; P87-I89 HydrophobicContact CG-CD1 4.16Å; P87-H244 CarbonylContact C-O 3.48Å; P87-H244 WeakPolarHBondContact CA-O 3.48Å; P87-H244 WeakPolarHBondContact CB-O 3.33Å; P87-F489 HydrophobicContact CB-CE1 3.89Å; P87-F489 HydrophobicContact CB-CZ 3.96Å
88G92.9Very high82.4Confident0 Ų039.4 Ų39.40%021%0.207CC..EExtended strand (participates in β ladder)trans-69.2138.1160.800000110T243 H244G88-T243 WeakPolarHBondContact O-CA 3.34Å; G88-H244 PolarHBondContact N-O 3.33Å; G88-H244 PolarHBondContact O-CD2 2.92Å; G88-H244 PolarHBondContact O-N 2.04Å; G88-H244 PolarHBondContact O-NE2 3Å
89I95.3Very high83.1Confident0 Ų040.6 Ų40.60%020%0.2CC..EExtended strand (participates in β ladder)trans-116.8109.2-179.5-56.5-59.5000108P87 I91 F177 T206 F207 I223 I241 T243 L513P87-I89 HydrophobicContact CB-CD1 4.5Å; P87-I89 HydrophobicContact CG-CD1 4.16Å; I89-I91 HydrophobicContact CG2-CD1 4.48Å; I89-I91 HydrophobicContact CG2-CG1 4.12Å; I89-F177 HydrophobicContact CB-CE1 4.36Å; I89-F177 HydrophobicContact CG1-CE1 4.36Å; I89-F177 HydrophobicContact CG2-CE1 4.3Å; I89-T206 WeakPolarHBondContact O-CA 3.38Å; I89-F207 HydrophobicContact CB-CB 4.41Å; I89-F207 PolarHBondContact N-O 3.49Å; I89-F207 PolarHBondContact O-N 3.37Å; I89-I223 HydrophobicContact CD1-CD1 4.24Å; I89-I223 HydrophobicContact CG1-CD1 4.2Å; I89-I223 HydrophobicContact CG2-CD1 3.83Å; I89-I241 HydrophobicContact CG2-CG2 3.73Å; I89-T243 HydrophobicContact CD1-CG2 3.82Å; I89-L513 HydrophobicContact CD1-CD1 3.66Å
90T94.9Very high84.4Confident0 Ų040.2 Ų40.20%020%0.198CC..EExtended strand (participates in β ladder)trans-102122.8174.1-640000110.5C204 T205 T206 I241 I242 H244 P250 F251T90-C204 HydrophobicContact CG2-CB 3.65Å; T90-T205 WeakPolarHBondContact CA-O 3.45Å; T90-T206 WeakPolarHBondContact OG1-CB 3.34Å; T90-T206 VanDerWaalsContact OG1-CG2 3.32Å; T90-T206 WeakPolarHBondContact OG1-CG2 3.32Å; T90-T206 PolarHBondContact OG1-OG1 2.95Å; T90-I241 CarbonylContact O-C 3.1Å; T90-I241 WeakPolarHBondContact O-CA 3.09Å; T90-I242 PolarHBondContact N-O 3.32Å; T90-I242 PolarHBondContact O-N 2.99Å; T90-H244 PolarHBondContact OG1-NE2 2.75Å; T90-P250 HydrophobicContact CG2-CB 4.09Å; T90-P250 HydrophobicContact CG2-CG 4.18Å; T90-P250 WeakPolarHBondContact OG1-CB 3.25Å; T90-F251 HydrophobicContact CG2-CE1 4.14Å; T90-F251 HydrophobicContact CG2-CZ 4.36Å
91I94.8Very high85.7Confident3 Ų332.5 Ų32.52%0.01516%0.163CC..EExtended strand (participates in β ladder)trans-107.4124.8178.8-54.1-176.4000108.4I89 V175 C204 T205 F207 I223 I225 F239 I241I89-I91 HydrophobicContact CG2-CD1 4.48Å; I89-I91 HydrophobicContact CG2-CG1 4.12Å; I91-V175 HydrophobicContact CD1-CG1 3.69Å; I91-V175 HydrophobicContact CD1-CG2 4.01Å; I91-C204 CarbonylContact O-C 3.51Å; I91-C204 WeakPolarHBondContact O-CA 3.41Å; I91-C204 WeakPolarHBondContact O-CB 3.17Å; I91-T205 PolarHBondContact N-O 2.89Å; I91-T205 PolarHBondContact O-N 3.3Å; I91-F207 HydrophobicContact CB-CE2 4.28Å; I91-F207 HydrophobicContact CD1-CD2 4.07Å; I91-F207 HydrophobicContact CD1-CE2 3.75Å; I91-F207 HydrophobicContact CG1-CD2 4.14Å; I91-F207 HydrophobicContact CG1-CE2 3.99Å; I91-I223 HydrophobicContact CD1-CG2 4.4Å; I91-I225 HydrophobicContact CD1-CD1 4.06Å; I91-I225 HydrophobicContact CD1-CG1 4.47Å; I91-I225 HydrophobicContact CG2-CD1 3.93Å; I91-F239 HydrophobicContact CG2-CB 4.23Å; I91-F239 HydrophobicContact CG2-CD1 3.6Å; I91-F239 HydrophobicContact CG2-CE1 4.24Å; I91-F239 HydrophobicContact CG2-CG 4.14Å; I91-I241 HydrophobicContact CG1-CG1 4.29Å
92C93.6Very high87Confident0 Ų030.4 Ų30.40%015%0.15CC..EExtended strand (participates in β ladder)trans-128.2143.6177.5-55.50000109.5N201 C204 F239 I240C92-N201 HydrophobicContact CB-CB 3.84Å; C92-N201 VanDerWaalsContact CB-ND2 3.31Å; C92-N201 WeakPolarHBondContact CB-ND2 3.48Å; C92-C204 HydrophobicContact CB-CB 4.04Å; C92-C204 WeakPolarHBondContact CB-SG 3.17Å; C92-C204 WeakPolarHBondContact SG-CB 3.39Å; C92-C204 CovalentContact SG-SG 2.03Å; C92-C204 PolarHBondContact SG-SG 3.16Å; C92-F239 CarbonylContact O-C 3.48Å; C92-F239 WeakPolarHBondContact O-CA 3.41Å; C92-I240 PolarHBondContact N-O 3.24Å; C92-I240 PolarHBondContact O-N 3.18Å
93P91.9Very high87.9Confident21 Ų2130.2 Ų30.214%0.13615%0.147CC..EExtended strand (participates in β ladder)trans-61.5145.3158.9-15.830.3000109.7E97 L101 N201 L203 V237 F239P93-E97 HydrophobicContact CB-CB 4.49Å; P93-L101 HydrophobicContact CB-CD1 4.37Å; P93-N201 WeakPolarHBondContact O-CB 3.47Å; P93-L203 WeakPolarHBondContact CD-O 3.02Å; P93-V237 HydrophobicContact CB-CG1 4.33Å; P93-F239 HydrophobicContact CG-CE1 4.31Å
94Q91Very high88.5Confident65 Ų6530.7 Ų30.730%0.30415%0.152SC..  trans-60.8147.2172.9177.5170.7-15.200110.7Q96 E97 S98 T238 I240Q94-Q96 PolarHBondContact O-N 3.44Å; Q94-Q96 VanDerWaalsContact O-N 3.07Å; Q94-E97 HydrophobicContact CB-CG 4.41Å; Q94-E97 CarbonylContact O-C 3.14Å; Q94-E97 WeakPolarHBondContact O-CA 3.38Å; Q94-E97 WeakPolarHBondContact O-CB 3.35Å; Q94-E97 PolarHBondContact O-N 3.31Å; Q94-S98 PolarHBondContact O-N 3.19Å; Q94-T238 PolarHBondContact N-O 2.81Å; Q94-T238 VanDerWaalsContact OE1-CG2 3.26Å; Q94-I240 HydrophobicContact CB-CD1 4.19Å; Q94-I240 HydrophobicContact CB-CG1 4.12Å; Q94-I240 HydrophobicContact CG-CD1 4.23Å
95S87.9Confident89Confident49 Ų4929.9 Ų29.934%0.34315%0.148SC..Hα-helixtrans-54.4-32.6-173.158.60000115.8S98 K99 R200 N201S95-S98 WeakPolarHBondContact CA-OG 3.33Å; S95-S98 PolarHBondContact O-OG 3.23Å; S95-S98 VanDerWaalsContact O-OG 3.07Å; S95-K99 WeakPolarHBondContact O-CB 3.07Å; S95-K99 PolarHBondContact O-N 3.47Å; S95-R200 WeakPolarHBondContact CA-O 3.48Å; S95-R200 WeakPolarHBondContact CB-O 3.26Å; S95-N201 PolarHBondContact N-OD1 2.59Å
96Q88Confident89.3Confident136 Ų13627.9 Ų27.964%0.63614%0.139SC*.Hα-helixtrans-65.7-46.7172.3-169.887.8-10.200110.9Q94 K99 R100Q94-Q96 PolarHBondContact O-N 3.44Å; Q94-Q96 VanDerWaalsContact O-N 3.07Å; Q96-K99 PolarHBondContact O-N 3.04Å; Q96-R100 PolarHBondContact O-N 3.17Å
97E87.3Confident89.3Confident32 Ų3234.9 Ų34.915%0.1517%0.168CC..Hα-helixtrans-70.5-41.4-179.9-62-52.1110.400112.1P93 Q94 K99 R100 L101 V237P93-E97 HydrophobicContact CB-CB 4.49Å; Q94-E97 HydrophobicContact CB-CG 4.41Å; Q94-E97 CarbonylContact O-C 3.14Å; Q94-E97 WeakPolarHBondContact O-CA 3.38Å; Q94-E97 WeakPolarHBondContact O-CB 3.35Å; Q94-E97 PolarHBondContact O-N 3.31Å; E97-K99 VanDerWaalsContact C-N 3.27Å; E97-K99 PolarHBondContact O-N 2.88Å; E97-R100 PolarHBondContact O-N 2.85Å; E97-R100 VanDerWaalsContact O-N 3.12Å; E97-R100 IonicContact OE1-NE 2.75Å; E97-R100 IonicContact OE2-CZ 2.65Å; E97-R100 IonicContact OE2-NE 3.9Å; E97-R100 PolarHBondContact OE2-NE 3.11Å; E97-R100 IonicContact OE2-NH2 2.98Å; E97-R100 PolarHBondContact OE2-NH2 3.45Å; E97-L101 WeakPolarHBondContact O-CB 3.45Å; E97-L101 VanDerWaalsContact O-CG 3.22Å; E97-L101 WeakPolarHBondContact O-CG 3.45Å; E97-L101 PolarHBondContact O-N 3.15Å; E97-V237 HydrophobicContact CB-CG1 4.15Å; E97-V237 HydrophobicContact CG-CG1 4.45Å
98S88Confident88.9Confident5 Ų541.2 Ų41.24%0.03519%0.191CC..Hα-helixtrans-60.4-39.2174.5640000111.2Q94 S95 F102 W120 R200 N201Q94-S98 PolarHBondContact O-N 3.19Å; S95-S98 WeakPolarHBondContact CA-OG 3.33Å; S95-S98 PolarHBondContact O-OG 3.23Å; S95-S98 VanDerWaalsContact O-OG 3.07Å; S98-F102 WeakPolarHBondContact O-CB 3.38Å; S98-F102 PolarHBondContact O-N 3.48Å; S98-W120 VanDerWaalsContact OG-CH2 3.27Å; S98-W120 WeakPolarHBondContact OG-CH2 3.34Å; S98-R200 PolarHBondContact OG-O 3.02Å; S98-N201 VanDerWaalsContact CB-O 3.31Å; S98-N201 WeakPolarHBondContact CB-O 3.43Å
99K87Confident88.5Confident68 Ų6843.1 Ų43.130%0.29620%0.201SC..Hα-helixtrans-62.2-46.6171.6-176.8174.1-177.5168.20112S95 Q96 E97 L103 P117 W120S95-K99 WeakPolarHBondContact O-CB 3.07Å; S95-K99 PolarHBondContact O-N 3.47Å; Q96-K99 PolarHBondContact O-N 3.04Å; E97-K99 VanDerWaalsContact C-N 3.27Å; E97-K99 PolarHBondContact O-N 2.88Å; K99-L103 HydrophobicContact CG-CD1 3.89Å; K99-L103 HydrophobicContact CG-CG 4.48Å; K99-L103 WeakPolarHBondContact O-CB 3.34Å; K99-L103 VanDerWaalsContact O-CG 3.25Å; K99-L103 WeakPolarHBondContact O-CG 3.47Å; K99-L103 PolarHBondContact O-N 3.16Å; K99-P117 WeakPolarHBondContact CD-O 3.17Å; K99-P117 WeakPolarHBondContact CE-O 3.44Å; K99-P117 PolarHBondContact NZ-O 3.23Å; K99-W120 HydrophobicContact CB-CH2 4.26Å; K99-W120 HydrophobicContact CB-CZ3 4.33Å
100R86.6Confident87.9Confident79 Ų7950.1 Ų50.130%0.29824%0.239SC..Hα-helixtrans-61.9-52.3179.6-171.1-179.566.481.7-12.7112.1Q96 E97 F102 L103 D104 S234 R236Q96-R100 PolarHBondContact O-N 3.17Å; E97-R100 PolarHBondContact O-N 2.85Å; E97-R100 VanDerWaalsContact O-N 3.12Å; E97-R100 IonicContact OE1-NE 2.75Å; E97-R100 IonicContact OE2-CZ 2.65Å; E97-R100 IonicContact OE2-NE 3.9Å; E97-R100 PolarHBondContact OE2-NE 3.11Å; E97-R100 IonicContact OE2-NH2 2.98Å; E97-R100 PolarHBondContact OE2-NH2 3.45Å; R100-F102 PolarHBondContact O-N 2.94Å; R100-L103 PolarHBondContact O-N 3.44Å; R100-D104 PolarHBondContact O-N 3.26Å; R100-S234 PolarHBondContact NH1-O 2.87Å; R100-S234 PolarHBondContact NH2-O 2.81Å; R100-R236 PolarHBondContact NH2-O 3.43Å
101L86.4Confident87.2Confident7 Ų750.9 Ų50.94%0.03724%0.243CC..Hα-helixtrans-61.8-41.3178.4-64.6169.3000111.7P93 E97 A105 L171 V237P93-L101 HydrophobicContact CB-CD1 4.37Å; E97-L101 WeakPolarHBondContact O-CB 3.45Å; E97-L101 VanDerWaalsContact O-CG 3.22Å; E97-L101 WeakPolarHBondContact O-CG 3.45Å; E97-L101 PolarHBondContact O-N 3.15Å; L101-A105 VanDerWaalsContact O-CB 3.26Å; L101-A105 WeakPolarHBondContact O-CB 3.45Å; L101-A105 PolarHBondContact O-N 3.03Å; L101-L171 HydrophobicContact CD1-CB 4.25Å; L101-L171 HydrophobicContact CD1-CD2 4.21Å; L101-L171 HydrophobicContact CD2-CB 4.33Å; L101-L171 HydrophobicContact CD2-CD1 4.38Å; L101-V237 HydrophobicContact CD1-CG1 4.21Å; L101-V237 HydrophobicContact CD1-CG2 3.87Å; L101-V237 HydrophobicContact CD2-CG2 3.9Å; L101-V237 HydrophobicContact CG-CG2 4.23Å
102F86.9Confident86.3Confident0 Ų058 Ų580%028%0.279CS..Hα-helixtrans-63.8-46.8176.5-174.8-82.2000111.7S98 R100 A105 M106 P119 W120 V125 M126 L129 L170 F202S98-F102 WeakPolarHBondContact O-CB 3.38Å; S98-F102 PolarHBondContact O-N 3.48Å; R100-F102 PolarHBondContact O-N 2.94Å; F102-A105 PolarHBondContact O-N 3Å; F102-M106 HydrophobicContact CD1-CE 4.16Å; F102-M106 HydrophobicContact CD1-CG 3.8Å; F102-M106 HydrophobicContact CD2-CE 4.05Å; F102-M106 HydrophobicContact CE1-CE 3.99Å; F102-M106 HydrophobicContact CE1-CG 3.49Å; F102-M106 VanDerWaalsContact CE1-CG 3.49Å; F102-M106 HydrophobicContact CE1-SD 3.93Å; F102-M106 HydrophobicContact CE2-CE 3.87Å; F102-M106 HydrophobicContact CG-CE 4.19Å; F102-M106 HydrophobicContact CZ-CE 3.85Å; F102-M106 HydrophobicContact CZ-CG 4.14Å; F102-M106 HydrophobicContact CZ-SD 3.95Å; F102-M106 WeakPolarHBondContact O-CE 3.49Å; F102-M106 VanDerWaalsContact O-CG 3.3Å; F102-M106 WeakPolarHBondContact O-CG 3.39Å; F102-M106 PolarHBondContact O-N 2.7Å; F102-P119 HydrophobicContact CD1-CB 3.91Å; F102-P119 HydrophobicContact CD1-CG 3.45Å; F102-P119 VanDerWaalsContact CD1-CG 3.45Å; F102-P119 HydrophobicContact CE1-CB 3.77Å; F102-P119 HydrophobicContact CE1-CG 3.84Å; F102-P119 HydrophobicContact CG-CG 4.23Å; F102-W120 HydrophobicContact CB-CE3 4.12Å; F102-W120 HydrophobicContact CB-CZ3 4.11Å; F102-W120 HydrophobicContact CD1-CE3 4.42Å; F102-W120 HydrophobicContact CD2-CB 4.46Å; F102-W120 AromaticContact CD2-CE3 3.97Å; F102-W120 HydrophobicContact CD2-CE3 3.97Å; F102-W120 HydrophobicContact CE2-CB 3.92Å; F102-W120 AromaticContact CG-CE3 3.92Å; F102-W120 HydrophobicContact CG-CE3 3.92Å; F102-W120 HydrophobicContact CG-CZ3 4.4Å; F102-W120 HydrophobicContact CZ-CB 4.11Å; F102-V125 HydrophobicContact CE1-CG1 3.73Å; F102-V125 HydrophobicContact CZ-CG1 3.81Å; F102-M126 HydrophobicContact CE2-SD 3.88Å; F102-M126 HydrophobicContact CZ-SD 4.01Å; F102-L129 HydrophobicContact CE2-CD2 3.93Å; F102-L129 HydrophobicContact CZ-CD2 4.49Å; F102-L170 HydrophobicContact CB-CD2 4.45Å; F102-F202 AromaticContact CD2-CD1 3.82Å; F102-F202 HydrophobicContact CD2-CD1 3.82Å; F102-F202 AromaticContact CD2-CE1 3.52Å; F102-F202 HydrophobicContact CD2-CE1 3.52Å; F102-F202 HydrophobicContact CD2-CE2 4.25Å; F102-F202 HydrophobicContact CD2-CG 4.32Å; F102-F202 AromaticContact CD2-CZ 3.76Å; F102-F202 HydrophobicContact CD2-CZ 3.76Å; F102-F202 HydrophobicContact CE2-CD1 4.45Å; F102-F202 AromaticContact CE2-CE1 3.85Å; F102-F202 HydrophobicContact CE2-CE1 3.85Å; F102-F202 AromaticContact CE2-CE2 3.95Å; F102-F202 HydrophobicContact CE2-CE2 3.95Å; F102-F202 AromaticContact CE2-CZ 3.57Å; F102-F202 HydrophobicContact CE2-CZ 3.57Å
103L86.7Confident85.3Confident56 Ų5660 Ų6029%0.29329%0.292SS..Hα-helixtrans-65.7-38.8180-71.3172.3000112.2K99 R100 M106 K107 T113 P119K99-L103 HydrophobicContact CG-CD1 3.89Å; K99-L103 HydrophobicContact CG-CG 4.48Å; K99-L103 WeakPolarHBondContact O-CB 3.34Å; K99-L103 VanDerWaalsContact O-CG 3.25Å; K99-L103 WeakPolarHBondContact O-CG 3.47Å; K99-L103 PolarHBondContact O-N 3.16Å; R100-L103 PolarHBondContact O-N 3.44Å; L103-M106 PolarHBondContact O-N 3.13Å; L103-K107 WeakPolarHBondContact O-CB 3.31Å; L103-K107 PolarHBondContact O-N 3.4Å; L103-T113 HydrophobicContact CD2-CG2 4.14Å; L103-T113 WeakPolarHBondContact CD2-OG1 3.36Å; L103-P119 HydrophobicContact CD2-CB 4.16Å; L103-P119 HydrophobicContact CD2-CG 4.07Å; L103-P119 HydrophobicContact CG-CG 4.27Å
104D84.9Confident84Confident45 Ų4565.5 Ų65.524%0.24132%0.316CS..Hα-helixtrans-68.3-42.3174.6-17230.7000111.8R100 M106 K107 R108R100-D104 PolarHBondContact O-N 3.26Å; D104-M106 VanDerWaalsContact C-N 3.33Å; D104-M106 PolarHBondContact O-N 3.36Å; D104-K107 WeakPolarHBondContact O-CB 3.41Å; D104-K107 PolarHBondContact O-N 3.49Å; D104-K107 VanDerWaalsContact O-N 3.14Å; D104-R108 VanDerWaalsContact O-CG 3.25Å; D104-R108 WeakPolarHBondContact O-CG 3.48Å; D104-R108 PolarHBondContact O-N 3.01Å; D104-R108 IonicContact OD1-NE 3.78Å; D104-R108 PolarHBondContact OD1-NE 3.41Å; D104-R108 IonicContact OD2-CZ 3.47Å; D104-R108 IonicContact OD2-NE 2.71Å; D104-R108 PolarHBondContact OD2-NE 3Å; D104-R108 IonicContact OD2-NH2 2.61Å; D104-R108 PolarHBondContact OD2-NH2 2.87Å
105A85.8Confident82.9Confident4 Ų469 Ų693%0.03334%0.344CS..Hα-helixtrans-58.7-41.8171.400000112.2L101 F102 R108 L109 L170L101-A105 VanDerWaalsContact O-CB 3.26Å; L101-A105 WeakPolarHBondContact O-CB 3.45Å; L101-A105 PolarHBondContact O-N 3.03Å; F102-A105 PolarHBondContact O-N 3Å; A105-R108 PolarHBondContact O-N 3.46Å; A105-L109 WeakPolarHBondContact O-CB 3.18Å; A105-L109 VanDerWaalsContact O-CG 3.27Å; A105-L109 WeakPolarHBondContact O-CG 3.28Å; A105-L109 PolarHBondContact O-N 3.12Å; A105-L170 HydrophobicContact CB-CD2 3.92Å
106M86.5Confident82Confident1 Ų169 Ų691%0.00534%0.34CS..Hα-helixtrans-64.2-41174.7-67.1-38101.200111.5F102 L103 D104 L109 N110 I111 T113 V125 L129F102-M106 HydrophobicContact CD1-CE 4.16Å; F102-M106 HydrophobicContact CD1-CG 3.8Å; F102-M106 HydrophobicContact CD2-CE 4.05Å; F102-M106 HydrophobicContact CE1-CE 3.99Å; F102-M106 HydrophobicContact CE1-CG 3.49Å; F102-M106 VanDerWaalsContact CE1-CG 3.49Å; F102-M106 HydrophobicContact CE1-SD 3.93Å; F102-M106 HydrophobicContact CE2-CE 3.87Å; F102-M106 HydrophobicContact CG-CE 4.19Å; F102-M106 HydrophobicContact CZ-CE 3.85Å; F102-M106 HydrophobicContact CZ-CG 4.14Å; F102-M106 HydrophobicContact CZ-SD 3.95Å; F102-M106 WeakPolarHBondContact O-CE 3.49Å; F102-M106 VanDerWaalsContact O-CG 3.3Å; F102-M106 WeakPolarHBondContact O-CG 3.39Å; F102-M106 PolarHBondContact O-N 2.7Å; L103-M106 PolarHBondContact O-N 3.13Å; D104-M106 VanDerWaalsContact C-N 3.33Å; D104-M106 PolarHBondContact O-N 3.36Å; M106-L109 CarbonylContact O-C 3.46Å; M106-L109 PolarHBondContact O-N 3.02Å; M106-N110 PolarHBondContact O-N 3.41Å; M106-N110 VanDerWaalsContact O-N 3.11Å; M106-I111 HydrophobicContact CB-CB 3.99Å; M106-I111 HydrophobicContact CB-CG2 4.08Å; M106-I111 HydrophobicContact CG-CB 4.43Å; M106-I111 HydrophobicContact CG-CG2 4.1Å; M106-I111 PolarHBondContact O-N 3.03Å; M106-I111 HydrophobicContact SD-CB 4.27Å; M106-I111 HydrophobicContact SD-CD1 3.83Å; M106-I111 HydrophobicContact SD-CG2 4.01Å; M106-T113 HydrophobicContact CB-CG2 3.81Å; M106-T113 HydrophobicContact CG-CG2 3.69Å; M106-V125 HydrophobicContact CG-CG1 4.01Å; M106-V125 HydrophobicContact SD-CG1 3.96Å; M106-L129 HydrophobicContact CE-CD1 3.98Å; M106-L129 HydrophobicContact CE-CD2 4Å; M106-L129 HydrophobicContact CE-CG 4.4Å; M106-L129 HydrophobicContact SD-CB 4.36Å
107K86.3Confident81.1Confident159 Ų15966.6 Ų66.669%0.69134%0.336SS*.Hα-helixtrans-60.4-47.1175.7-174.6-174.8177.6-171.90111.3L103 D104 L109 N110L103-K107 WeakPolarHBondContact O-CB 3.31Å; L103-K107 PolarHBondContact O-N 3.4Å; D104-K107 WeakPolarHBondContact O-CB 3.41Å; D104-K107 PolarHBondContact O-N 3.49Å; D104-K107 VanDerWaalsContact O-N 3.14Å; K107-L109 VanDerWaalsContact C-N 3.25Å; K107-L109 PolarHBondContact O-N 3.29Å; K107-N110 PolarHBondContact O-N 2.75Å
108R83.7Confident80.6Confident135 Ų13567.2 Ų67.251%0.50934%0.34SS..Hα-helixtrans-60.1-32.7174.5-66167.5-171.1-159.80.9112.4D104 A105 N110D104-R108 VanDerWaalsContact O-CG 3.25Å; D104-R108 WeakPolarHBondContact O-CG 3.48Å; D104-R108 PolarHBondContact O-N 3.01Å; D104-R108 IonicContact OD1-NE 3.78Å; D104-R108 PolarHBondContact OD1-NE 3.41Å; D104-R108 IonicContact OD2-CZ 3.47Å; D104-R108 IonicContact OD2-NE 2.71Å; D104-R108 PolarHBondContact OD2-NE 3Å; D104-R108 IonicContact OD2-NH2 2.61Å; D104-R108 PolarHBondContact OD2-NH2 2.87Å; A105-R108 PolarHBondContact O-N 3.46Å; R108-N110 VanDerWaalsContact C-N 3.35Å
109L84.1Confident80.1Confident40 Ų4067.1 Ų67.121%0.20934%0.339CS..THydrogen-bonded Turntrans-84.91.8175.5-67.7173.3000114.4A105 M106 K107 I111 L129 K132 M169A105-L109 WeakPolarHBondContact O-CB 3.18Å; A105-L109 VanDerWaalsContact O-CG 3.27Å; A105-L109 WeakPolarHBondContact O-CG 3.28Å; A105-L109 PolarHBondContact O-N 3.12Å; M106-L109 CarbonylContact O-C 3.46Å; M106-L109 PolarHBondContact O-N 3.02Å; K107-L109 VanDerWaalsContact C-N 3.25Å; K107-L109 PolarHBondContact O-N 3.29Å; L109-I111 HydrophobicContact CB-CD1 3.85Å; L109-I111 HydrophobicContact CB-CG1 4.06Å; L109-I111 HydrophobicContact CD1-CD1 4.07Å; L109-I111 PolarHBondContact O-N 2.99Å; L109-L129 HydrophobicContact CD1-CD1 3.89Å; L109-K132 HydrophobicContact CD1-CB 4.39Å; L109-K132 HydrophobicContact CD2-CB 4.26Å; L109-K132 HydrophobicContact CD2-CD 4.28Å; L109-K132 HydrophobicContact CD2-CG 4.33Å; L109-M169 HydrophobicContact CD1-SD 4.36Å
110N83.3Confident79.6Confident147 Ų14763.9 Ų63.979%0.78633%0.325SS*.THydrogen-bonded Turntrans56.929.8-172.4-62-73.9000114.4M106 K107 R108M106-N110 PolarHBondContact O-N 3.41Å; M106-N110 VanDerWaalsContact O-N 3.11Å; K107-N110 PolarHBondContact O-N 2.75Å; R108-N110 VanDerWaalsContact C-N 3.35Å
111I81Confident79Confident16 Ų1661.3 Ų61.38%0.08232%0.316CS..  trans-87.6116.7177.6-71.8170.6000109.7M106 L109 T113 V125 Q128M106-I111 HydrophobicContact CB-CB 3.99Å; M106-I111 HydrophobicContact CB-CG2 4.08Å; M106-I111 HydrophobicContact CG-CB 4.43Å; M106-I111 HydrophobicContact CG-CG2 4.1Å; M106-I111 PolarHBondContact O-N 3.03Å; M106-I111 HydrophobicContact SD-CB 4.27Å; M106-I111 HydrophobicContact SD-CD1 3.83Å; M106-I111 HydrophobicContact SD-CG2 4.01Å; L109-I111 HydrophobicContact CB-CD1 3.85Å; L109-I111 HydrophobicContact CB-CG1 4.06Å; L109-I111 HydrophobicContact CD1-CD1 4.07Å; L109-I111 PolarHBondContact O-N 2.99Å; I111-T113 HydrophobicContact CG2-CG2 4.33Å; I111-T113 PolarHBondContact O-N 3.43Å; I111-V125 HydrophobicContact CG2-CG1 4.01Å; I111-Q128 HydrophobicContact CD1-CB 3.86Å; I111-Q128 HydrophobicContact CG1-CB 4.12Å
112I75.5Confident78.4Confident153 Ų15362 Ų6279%0.78532%0.322SS*.  trans-72.4109.9177-58.3175.5000109
113T71.6Confident77.8Confident43 Ų4364 Ų6426%0.26433%0.331SS..  trans-96.5139.8173.249.40000110.8L103 M106 I111 V125L103-T113 HydrophobicContact CD2-CG2 4.14Å; L103-T113 WeakPolarHBondContact CD2-OG1 3.36Å; M106-T113 HydrophobicContact CB-CG2 3.81Å; M106-T113 HydrophobicContact CG-CG2 3.69Å; I111-T113 HydrophobicContact CG2-CG2 4.33Å; I111-T113 PolarHBondContact O-N 3.43Å; T113-V125 HydrophobicContact CG2-CG1 3.83Å; T113-V125 HydrophobicContact CG2-CG2 4.18Å
114Q66.2Low77.4Confident135 Ų13565.8 Ų65.863%0.63134%0.343SS*.  trans-83.4154.3166.9-72.8-179.7-12.500109.8I116Q114-I116 HydrophobicContact CB-CD1 4.16Å; Q114-I116 HydrophobicContact CB-CG1 4.09Å; Q114-I116 PolarHBondContact O-N 3.39Å
115P66.6Low77.2Confident140 Ų14063.8 Ų63.891%0.90933%0.333SS*.  trans-7174.7176.730.6-36000111.4
116I68.9Low76.9Confident47 Ų4763.8 Ų63.824%0.24133%0.332CS..  trans-97142.7176.9-63170.9000107.8Q114 L118Q114-I116 HydrophobicContact CB-CD1 4.16Å; Q114-I116 HydrophobicContact CB-CG1 4.09Å; Q114-I116 PolarHBondContact O-N 3.39Å; I116-L118 PolarHBondContact O-N 3.39Å
117P70.9Confident76.6Confident86 Ų8665.3 Ų65.356%0.55834%0.34SS*.SBendtrans-53-40.7-178.6-30.736.7000113.7K99K99-P117 WeakPolarHBondContact CD-O 3.17Å; K99-P117 WeakPolarHBondContact CE-O 3.44Å; K99-P117 PolarHBondContact NZ-O 3.23Å
118L76.6Confident76.5Confident45 Ų4562.1 Ų62.124%0.23633%0.328CS..SBendtrans-134.699.2-179.3-62.3170.9000108.1I116 W120 F121I116-L118 PolarHBondContact O-N 3.39Å; L118-W120 HydrophobicContact CB-CZ2 4.26Å; L118-W120 HydrophobicContact CD2-CH2 4.22Å; L118-W120 HydrophobicContact CD2-CZ2 3.73Å; L118-W120 PolarHBondContact O-N 2.99Å; L118-F121 HydrophobicContact CB-CD2 3.52Å; L118-F121 HydrophobicContact CB-CE2 3.8Å; L118-F121 HydrophobicContact CD1-CD2 4.26Å; L118-F121 HydrophobicContact CD1-CE2 3.81Å; L118-F121 HydrophobicContact CG-CE2 4.44Å; L118-F121 PolarHBondContact O-N 2.73Å
119P75.9Confident76.5Confident3 Ų355.9 Ų55.92%0.01931%0.305CS..G310 helixtrans-70.5-26.6-161.626-35.6000114.9F102 L103 F121 S122F102-P119 HydrophobicContact CD1-CB 3.91Å; F102-P119 HydrophobicContact CD1-CG 3.45Å; F102-P119 VanDerWaalsContact CD1-CG 3.45Å; F102-P119 HydrophobicContact CE1-CB 3.77Å; F102-P119 HydrophobicContact CE1-CG 3.84Å; F102-P119 HydrophobicContact CG-CG 4.23Å; L103-P119 HydrophobicContact CD2-CB 4.16Å; L103-P119 HydrophobicContact CD2-CG 4.07Å; L103-P119 HydrophobicContact CG-CG 4.27Å; P119-F121 PolarHBondContact O-N 3.15Å; P119-S122 WeakPolarHBondContact O-CB 3.38Å; P119-S122 PolarHBondContact O-N 3.42Å
120W77.2Confident76.3Confident0 Ų054.6 Ų54.60%030%0.297CS..G310 helixtrans-67.5-717649.182.4000114.9S98 K99 F102 L118 S122 M126 I199 R200 F202 L452S98-W120 VanDerWaalsContact OG-CH2 3.27Å; S98-W120 WeakPolarHBondContact OG-CH2 3.34Å; K99-W120 HydrophobicContact CB-CH2 4.26Å; K99-W120 HydrophobicContact CB-CZ3 4.33Å; F102-W120 HydrophobicContact CB-CE3 4.12Å; F102-W120 HydrophobicContact CB-CZ3 4.11Å; F102-W120 HydrophobicContact CD1-CE3 4.42Å; F102-W120 HydrophobicContact CD2-CB 4.46Å; F102-W120 AromaticContact CD2-CE3 3.97Å; F102-W120 HydrophobicContact CD2-CE3 3.97Å; F102-W120 HydrophobicContact CE2-CB 3.92Å; F102-W120 AromaticContact CG-CE3 3.92Å; F102-W120 HydrophobicContact CG-CE3 3.92Å; F102-W120 HydrophobicContact CG-CZ3 4.4Å; F102-W120 HydrophobicContact CZ-CB 4.11Å; L118-W120 HydrophobicContact CB-CZ2 4.26Å; L118-W120 HydrophobicContact CD2-CH2 4.22Å; L118-W120 HydrophobicContact CD2-CZ2 3.73Å; L118-W120 PolarHBondContact O-N 2.99Å; W120-S122 VanDerWaalsContact C-N 3.31Å; W120-M126 HydrophobicContact CB-CG 4.36Å; W120-M126 HydrophobicContact CB-SD 3.73Å; W120-M126 WeakPolarHBondContact O-CG 3.01Å; W120-I199 PolarHBondContact NE1-O 3.47Å; W120-R200 WeakPolarHBondContact CZ2-O 3.47Å; W120-F202 HydrophobicContact CB-CD2 3.42Å; W120-F202 VanDerWaalsContact CB-CD2 3.42Å; W120-F202 HydrophobicContact CB-CE2 3.54Å; W120-F202 HydrophobicContact CB-CG 4.35Å; W120-F202 HydrophobicContact CD2-CB 3.69Å; W120-F202 AromaticContact CD2-CD2 3.73Å; W120-F202 HydrophobicContact CD2-CD2 3.73Å; W120-F202 AromaticContact CD2-CG 3.9Å; W120-F202 HydrophobicContact CD2-CG 3.9Å; W120-F202 HydrophobicContact CE3-CB 3.7Å; W120-F202 HydrophobicContact CE3-CD2 4.07Å; W120-F202 AromaticContact CE3-CG 3.87Å; W120-F202 HydrophobicContact CE3-CG 3.87Å; W120-F202 HydrophobicContact CG-CB 4.28Å; W120-F202 AromaticContact CG-CD2 3.44Å; W120-F202 HydrophobicContact CG-CD2 3.44Å; W120-F202 VanDerWaalsContact CG-CD2 3.44Å; W120-F202 HydrophobicContact CG-CE2 4.1Å; W120-F202 HydrophobicContact CG-CG 4.13Å; W120-F202 HydrophobicContact CH2-CB 4.09Å; W120-F202 HydrophobicContact CZ2-CB 4.06Å; W120-F202 HydrophobicContact CZ3-CB 3.89Å; W120-F202 HydrophobicContact CZ3-CG 4.46Å; W120-L452 HydrophobicContact CB-CD2 4.1Å; W120-L452 HydrophobicContact CG-CD2 4.29Å
121F73.4Confident76.4Confident26 Ų2653.8 Ų53.811%0.11429%0.29CS..G310 helixtrans-81.1-12.1168.9-73-72000113.4L118 P119 K123 I199 F463L118-F121 HydrophobicContact CB-CD2 3.52Å; L118-F121 HydrophobicContact CB-CE2 3.8Å; L118-F121 HydrophobicContact CD1-CD2 4.26Å; L118-F121 HydrophobicContact CD1-CE2 3.81Å; L118-F121 HydrophobicContact CG-CE2 4.44Å; L118-F121 PolarHBondContact O-N 2.73Å; P119-F121 PolarHBondContact O-N 3.15Å; F121-K123 PolarHBondContact O-N 3.03Å; F121-I199 HydrophobicContact CE2-CG2 4.39Å; F121-I199 WeakPolarHBondContact CE2-O 3.45Å; F121-I199 HydrophobicContact CZ-CB 4.28Å; F121-I199 HydrophobicContact CZ-CG2 3.85Å; F121-F463 HydrophobicContact CB-CE1 4.23Å; F121-F463 HydrophobicContact CB-CZ 3.77Å; F121-F463 AromaticContact CD1-CE1 3.53Å; F121-F463 HydrophobicContact CD1-CE1 3.53Å; F121-F463 AromaticContact CD1-CZ 3.72Å; F121-F463 HydrophobicContact CD1-CZ 3.72Å; F121-F463 HydrophobicContact CE1-CE1 4.16Å; F121-F463 AromaticContact CG-CE1 3.99Å; F121-F463 HydrophobicContact CG-CE1 3.99Å; F121-F463 HydrophobicContact CG-CZ 4.01Å
122S75.5Confident76.5Confident21 Ų2156.4 Ų56.415%0.14730%0.301CS..  trans-76.1112.5173.4-173.40000110.7P119 W120 T124 V125 M126P119-S122 WeakPolarHBondContact O-CB 3.38Å; P119-S122 PolarHBondContact O-N 3.42Å; W120-S122 VanDerWaalsContact C-N 3.31Å; S122-T124 PolarHBondContact O-N 2.91Å; S122-T124 PolarHBondContact OG-OG1 2.73Å; S122-T124 VanDerWaalsContact OG-OG1 3.11Å; S122-V125 PolarHBondContact O-N 3.15Å; S122-V125 VanDerWaalsContact O-N 3.16Å; S122-M126 PolarHBondContact O-N 3.1Å
123K73.2Confident76.9Confident43 Ų4349.1 Ų49.119%0.18726%0.264CS..Hα-helixtrans-55.3-38.7180-156.3-108.3177.2-159.50112.3F121 D127 N455 R456 A458F121-K123 PolarHBondContact O-N 3.03Å; K123-D127 WeakPolarHBondContact CD-OD2 3Å; K123-D127 WeakPolarHBondContact CE-OD2 3.29Å; K123-D127 IonicContact NZ-OD1 2.87Å; K123-D127 IonicContact NZ-OD2 3.82Å; K123-D127 PolarHBondContact NZ-OD2 3.06Å; K123-D127 WeakPolarHBondContact O-CB 3.48Å; K123-D127 PolarHBondContact O-N 2.93Å; K123-N455 PolarHBondContact NZ-OD1 2.9Å; K123-R456 VanDerWaalsContact CE-C 3.47Å; K123-R456 WeakPolarHBondContact CE-O 3.22Å; K123-A458 HydrophobicContact CB-CB 4.23Å; K123-A458 HydrophobicContact CG-CB 4.29Å
124T77.7Confident77.5Confident92 Ų9250.5 Ų50.556%0.56427%0.268SS*.Hα-helixtrans-67.1-41.5179.953.30000112.5S122 Q128S122-T124 PolarHBondContact O-N 2.91Å; S122-T124 PolarHBondContact OG-OG1 2.73Å; S122-T124 VanDerWaalsContact OG-OG1 3.11Å; T124-Q128 WeakPolarHBondContact O-CB 3.28Å; T124-Q128 VanDerWaalsContact O-CG 3.27Å; T124-Q128 WeakPolarHBondContact O-CG 3.32Å; T124-Q128 PolarHBondContact O-N 2.65Å
125V82Confident78.4Confident4 Ų450.3 Ų50.32%0.02427%0.268CS..Hα-helixtrans-69.7-44.3179-178.70000110.3F102 M106 I111 T113 S122 D127 Q128 L129F102-V125 HydrophobicContact CE1-CG1 3.73Å; F102-V125 HydrophobicContact CZ-CG1 3.81Å; M106-V125 HydrophobicContact CG-CG1 4.01Å; M106-V125 HydrophobicContact SD-CG1 3.96Å; I111-V125 HydrophobicContact CG2-CG1 4.01Å; T113-V125 HydrophobicContact CG2-CG1 3.83Å; T113-V125 HydrophobicContact CG2-CG2 4.18Å; S122-V125 PolarHBondContact O-N 3.15Å; S122-V125 VanDerWaalsContact O-N 3.16Å; V125-D127 PolarHBondContact O-N 3.47Å; V125-Q128 PolarHBondContact O-N 3.38Å; V125-L129 WeakPolarHBondContact O-CB 3.19Å; V125-L129 PolarHBondContact O-N 3.1Å
126M79.9Confident79.2Confident4 Ų448.8 Ų48.82%0.0225%0.251CS..Hα-helixtrans-65-36.9176.2-74.8-56.5-62.500112.9F102 W120 S122 L129 R130 F202 L452F102-M126 HydrophobicContact CE2-SD 3.88Å; F102-M126 HydrophobicContact CZ-SD 4.01Å; W120-M126 HydrophobicContact CB-CG 4.36Å; W120-M126 HydrophobicContact CB-SD 3.73Å; W120-M126 WeakPolarHBondContact O-CG 3.01Å; S122-M126 PolarHBondContact O-N 3.1Å; M126-L129 HydrophobicContact CE-CD2 4.31Å; M126-L129 PolarHBondContact O-N 2.93Å; M126-L129 HydrophobicContact SD-CD2 4.19Å; M126-R130 WeakPolarHBondContact O-CB 3.08Å; M126-R130 WeakPolarHBondContact O-CD 3.4Å; M126-R130 WeakPolarHBondContact O-CG 3.49Å; M126-R130 PolarHBondContact O-N 2.04Å; M126-F202 HydrophobicContact CE-CE2 3.78Å; M126-F202 HydrophobicContact CE-CZ 4.06Å; M126-F202 HydrophobicContact SD-CE2 3.77Å; M126-F202 HydrophobicContact SD-CZ 4.11Å; M126-L452 HydrophobicContact CE-CD2 4.37Å
127D79.6Confident79.8Confident32 Ų3250.5 Ų50.517%0.17126%0.258CS..Hα-helixtrans-70.5-35.9175.6-71.4-11.5000112.5K123 V125 R130 M131K123-D127 WeakPolarHBondContact CD-OD2 3Å; K123-D127 WeakPolarHBondContact CE-OD2 3.29Å; K123-D127 IonicContact NZ-OD1 2.87Å; K123-D127 IonicContact NZ-OD2 3.82Å; K123-D127 PolarHBondContact NZ-OD2 3.06Å; K123-D127 WeakPolarHBondContact O-CB 3.48Å; K123-D127 PolarHBondContact O-N 2.93Å; V125-D127 PolarHBondContact O-N 3.47Å; D127-R130 PolarHBondContact O-N 3.01Å; D127-R130 IonicContact OD1-CZ 2.76Å; D127-R130 IonicContact OD1-NH1 3.12Å; D127-R130 PolarHBondContact OD1-NH1 3.48Å; D127-M131 WeakPolarHBondContact O-CG 3.34Å; D127-M131 PolarHBondContact O-N 2.77Å
128Q83.5Confident80.3Confident93 Ų9350.9 Ų50.944%0.43526%0.26SS..Hα-helixtrans-64.9-42172.3-74.9171.2-13.600111.7I111 T124 V125 M131 K132I111-Q128 HydrophobicContact CD1-CB 3.86Å; I111-Q128 HydrophobicContact CG1-CB 4.12Å; T124-Q128 WeakPolarHBondContact O-CB 3.28Å; T124-Q128 VanDerWaalsContact O-CG 3.27Å; T124-Q128 WeakPolarHBondContact O-CG 3.32Å; T124-Q128 PolarHBondContact O-N 2.65Å; V125-Q128 PolarHBondContact O-N 3.38Å; Q128-M131 PolarHBondContact O-N 3.46Å; Q128-K132 PolarHBondContact O-N 3.28Å
129L83.7Confident80.2Confident3 Ų355 Ų552%0.01628%0.282CS..Hα-helixtrans-60.7-45.9171.3176.758.9000111.5F102 M106 L109 V125 M126 M131 K132 V133 M169 F202F102-L129 HydrophobicContact CE2-CD2 3.93Å; F102-L129 HydrophobicContact CZ-CD2 4.49Å; M106-L129 HydrophobicContact CE-CD1 3.98Å; M106-L129 HydrophobicContact CE-CD2 4Å; M106-L129 HydrophobicContact CE-CG 4.4Å; M106-L129 HydrophobicContact SD-CB 4.36Å; L109-L129 HydrophobicContact CD1-CD1 3.89Å; V125-L129 WeakPolarHBondContact O-CB 3.19Å; V125-L129 PolarHBondContact O-N 3.1Å; M126-L129 HydrophobicContact CE-CD2 4.31Å; M126-L129 PolarHBondContact O-N 2.93Å; M126-L129 HydrophobicContact SD-CD2 4.19Å; L129-M131 PolarHBondContact O-N 3.17Å; L129-K132 PolarHBondContact O-N 3.06Å; L129-V133 HydrophobicContact CD1-CG2 3.91Å; L129-V133 HydrophobicContact CG-CG2 4.33Å; L129-V133 WeakPolarHBondContact O-CB 3.2Å; L129-V133 VanDerWaalsContact O-CG2 3.26Å; L129-V133 WeakPolarHBondContact O-CG2 2.99Å; L129-V133 PolarHBondContact O-N 3.14Å; L129-M169 HydrophobicContact CD1-SD 3.98Å; L129-F202 HydrophobicContact CD2-CZ 4.14Å
130R81.1Confident80Confident14 Ų1455.6 Ų55.65%0.05329%0.286CS..Hα-helixtrans-56.4-47.7176.3-75.6160.1178.3155.70.4111.8M126 D127 K132 V133 I134 F142 L451 L452 I454M126-R130 WeakPolarHBondContact O-CB 3.08Å; M126-R130 WeakPolarHBondContact O-CD 3.4Å; M126-R130 WeakPolarHBondContact O-CG 3.49Å; M126-R130 PolarHBondContact O-N 2.04Å; D127-R130 PolarHBondContact O-N 3.01Å; D127-R130 IonicContact OD1-CZ 2.76Å; D127-R130 IonicContact OD1-NH1 3.12Å; D127-R130 PolarHBondContact OD1-NH1 3.48Å; R130-K132 PolarHBondContact O-N 2.79Å; R130-V133 PolarHBondContact O-N 3.27Å; R130-I134 WeakPolarHBondContact O-CB 3.45Å; R130-I134 WeakPolarHBondContact O-CD1 3.4Å; R130-I134 VanDerWaalsContact O-CG1 3.24Å; R130-I134 WeakPolarHBondContact O-CG1 3.29Å; R130-I134 PolarHBondContact O-N 2.91Å; R130-F142 HydrophobicContact CB-CE2 3.99Å; R130-F142 HydrophobicContact CB-CZ 4.04Å; R130-F142 HydrophobicContact CG-CD1 3.96Å; R130-F142 HydrophobicContact CG-CD2 3.98Å; R130-F142 HydrophobicContact CG-CE1 3.7Å; R130-F142 HydrophobicContact CG-CE2 3.72Å; R130-F142 HydrophobicContact CG-CG 4.09Å; R130-F142 HydrophobicContact CG-CZ 3.58Å; R130-L451 PolarHBondContact NH2-O 2.85Å; R130-L452 PolarHBondContact NH2-O 3.31Å; R130-I454 PolarHBondContact NH1-O 3.36Å; R130-I454 PolarHBondContact NH2-O 2.04Å
131M83.5Confident79.6Confident129 Ų12960.2 Ų60.264%0.63531%0.305SS*.Hα-helixtrans-59.6-46.5176.3-70.2-58.3-57.800111.9D127 Q128 L129 V133 I134 E135D127-M131 WeakPolarHBondContact O-CG 3.34Å; D127-M131 PolarHBondContact O-N 2.77Å; Q128-M131 PolarHBondContact O-N 3.46Å; L129-M131 PolarHBondContact O-N 3.17Å; M131-V133 VanDerWaalsContact C-N 3.29Å; M131-V133 PolarHBondContact O-N 2.86Å; M131-I134 PolarHBondContact O-N 3.27Å; M131-E135 WeakPolarHBondContact O-CB 3.2Å; M131-E135 PolarHBondContact O-N 2.79Å
132K84.6Confident79.5Confident72 Ų7260.7 Ų60.731%0.31331%0.308SS..Hα-helixtrans-67.4-25.9178.8-82.8-73.8160.6-158.90114.4L109 Q128 L129 R130 E135L109-K132 HydrophobicContact CD1-CB 4.39Å; L109-K132 HydrophobicContact CD2-CB 4.26Å; L109-K132 HydrophobicContact CD2-CD 4.28Å; L109-K132 HydrophobicContact CD2-CG 4.33Å; Q128-K132 PolarHBondContact O-N 3.28Å; L129-K132 PolarHBondContact O-N 3.06Å; R130-K132 PolarHBondContact O-N 2.79Å; K132-E135 WeakPolarHBondContact CD-OE2 3.26Å; K132-E135 VanDerWaalsContact CE-OE2 3.23Å; K132-E135 WeakPolarHBondContact CE-OE2 3.32Å; K132-E135 IonicContact NZ-OE1 3.87Å; K132-E135 PolarHBondContact NZ-OE1 2.64Å; K132-E135 IonicContact NZ-OE2 3.24Å; K132-E135 PolarHBondContact NZ-OE2 3.5Å
133V84.1Confident79.3Confident0 Ų060.3 Ų60.30%031%0.307CS..Hα-helixtrans-77.7-44.2174166.20000111.6L129 R130 M131 E135 I136 Q137 L140 F142 P165 I166 M169L129-V133 HydrophobicContact CD1-CG2 3.91Å; L129-V133 HydrophobicContact CG-CG2 4.33Å; L129-V133 WeakPolarHBondContact O-CB 3.2Å; L129-V133 VanDerWaalsContact O-CG2 3.26Å; L129-V133 WeakPolarHBondContact O-CG2 2.99Å; L129-V133 PolarHBondContact O-N 3.14Å; R130-V133 PolarHBondContact O-N 3.27Å; M131-V133 VanDerWaalsContact C-N 3.29Å; M131-V133 PolarHBondContact O-N 2.86Å; V133-E135 PolarHBondContact O-N 3.24Å; V133-I136 PolarHBondContact O-N 2.81Å; V133-Q137 PolarHBondContact O-N 3.35Å; V133-L140 HydrophobicContact CG1-CD2 3.24Å; V133-F142 HydrophobicContact CB-CE2 4.07Å; V133-F142 HydrophobicContact CB-CZ 3.69Å; V133-F142 HydrophobicContact CG1-CE2 3.75Å; V133-F142 HydrophobicContact CG1-CZ 3.58Å; V133-F142 HydrophobicContact CG2-CZ 4.01Å; V133-P165 HydrophobicContact CG1-CG 3.96Å; V133-I166 HydrophobicContact CG1-CG1 4.35Å; V133-I166 HydrophobicContact CG2-CG1 4.08Å; V133-M169 HydrophobicContact CB-CE 4.31Å; V133-M169 HydrophobicContact CG2-CE 3.53Å; V133-M169 HydrophobicContact CG2-SD 3.54Å; V133-M169 VanDerWaalsContact CG2-SD 3.54Å
134I83.5Confident79.6Confident71 Ų7159.3 Ų59.336%0.36430%0.303SS..Hα-helixtrans-64.6-31.8176.9-67.2163.4000111R130 M131 I136 Q137 P138 F142R130-I134 WeakPolarHBondContact O-CB 3.45Å; R130-I134 WeakPolarHBondContact O-CD1 3.4Å; R130-I134 VanDerWaalsContact O-CG1 3.24Å; R130-I134 WeakPolarHBondContact O-CG1 3.29Å; R130-I134 PolarHBondContact O-N 2.91Å; M131-I134 PolarHBondContact O-N 3.27Å; I134-I136 PolarHBondContact O-N 2.82Å; I134-Q137 CarbonylContact O-C 3.4Å; I134-P138 VanDerWaalsContact O-CA 3.32Å; I134-P138 WeakPolarHBondContact O-CA 2.94Å; I134-F142 HydrophobicContact CG1-CE2 4.39Å
135E85.4Confident79.9Confident131 Ų13156.3 Ų56.361%0.61228%0.283SS*.THydrogen-bonded Turntrans-62.1-26.2171.9-173.6179.815500113.5M131 K132 V133M131-E135 WeakPolarHBondContact O-CB 3.2Å; M131-E135 PolarHBondContact O-N 2.79Å; K132-E135 WeakPolarHBondContact CD-OE2 3.26Å; K132-E135 VanDerWaalsContact CE-OE2 3.23Å; K132-E135 WeakPolarHBondContact CE-OE2 3.32Å; K132-E135 IonicContact NZ-OE1 3.87Å; K132-E135 PolarHBondContact NZ-OE1 2.64Å; K132-E135 IonicContact NZ-OE2 3.24Å; K132-E135 PolarHBondContact NZ-OE2 3.5Å; V133-E135 PolarHBondContact O-N 3.24Å
136I82.3Confident80Confident109 Ų10956.6 Ų56.656%0.55929%0.285SS*.THydrogen-bonded Turntrans-96.9-38.5178.2-71.4176.3000112V133 I134 M169V133-I136 PolarHBondContact O-N 2.81Å; I134-I136 PolarHBondContact O-N 2.82Å; I136-M169 HydrophobicContact CD1-CE 3.68Å
137Q83.1Confident80.4Confident83 Ų8357 Ų5739%0.38829%0.287SS..  trans-135.194.3177.6-17268.548.400109.6V133 I134 D139 L140 P165V133-Q137 PolarHBondContact O-N 3.35Å; I134-Q137 CarbonylContact O-C 3.4Å; Q137-D139 VanDerWaalsContact C-N 3.26Å; Q137-D139 PolarHBondContact O-N 2.87Å; Q137-L140 HydrophobicContact CB-CB 4.14Å; Q137-L140 HydrophobicContact CG-CB 4.01Å; Q137-L140 WeakPolarHBondContact O-CB 3.3Å; Q137-L140 PolarHBondContact O-N 2.81Å; Q137-L140 VanDerWaalsContact O-N 3.13Å; Q137-P165 HydrophobicContact CB-CG 4.14Å
138P80Confident80.7Confident93 Ų9356.8 Ų56.860%0.60428%0.284SS*.THydrogen-bonded Turntrans-64.8-29.3-172.624.7-34.2000113.2I134 L140I134-P138 VanDerWaalsContact O-CA 3.32Å; I134-P138 WeakPolarHBondContact O-CA 2.94Å; P138-L140 VanDerWaalsContact C-N 3.27Å; P138-L140 PolarHBondContact O-N 2.76Å
139D74.8Confident81Confident132 Ų13252.8 Ų52.871%0.70627%0.265SS*.THydrogen-bonded Turntrans-80.5-1.3179.4-49.6-68.5000114Q137 K141Q137-D139 VanDerWaalsContact C-N 3.26Å; Q137-D139 PolarHBondContact O-N 2.87Å; D139-K141 PolarHBondContact O-N 3.01Å
140L72.8Confident81.1Confident16 Ų1655.9 Ų55.98%0.08429%0.286CS..PPolyproline II helixtrans-73.5116.5-175.4-168.781.8000112.1V133 Q137 P138 F142 I145 P165V133-L140 HydrophobicContact CG1-CD2 3.24Å; Q137-L140 HydrophobicContact CB-CB 4.14Å; Q137-L140 HydrophobicContact CG-CB 4.01Å; Q137-L140 WeakPolarHBondContact O-CB 3.3Å; Q137-L140 PolarHBondContact O-N 2.81Å; Q137-L140 VanDerWaalsContact O-N 3.13Å; P138-L140 VanDerWaalsContact C-N 3.27Å; P138-L140 PolarHBondContact O-N 2.76Å; L140-F142 HydrophobicContact CD2-CE2 4.32Å; L140-I145 HydrophobicContact CD1-CD1 3.63Å; L140-P165 HydrophobicContact CD2-CG 3.92Å
141K67.3Low81.2Confident96 Ų9659 Ų5942%0.41730%0.3SS..PPolyproline II helixtrans-81.1133.5165-61.9177.9-175171.30110.4D139 T385 F386D139-K141 PolarHBondContact O-N 3.01Å; K141-T385 PolarHBondContact NZ-O 2.79Å; K141-F386 VanDerWaalsContact NZ-CD1 3.29Å
142F71.5Confident81.1Confident37 Ų3754.1 Ų54.116%0.16228%0.282CS..SBendtrans-82.1136.3168.5-83-96.9000110.7R130 V133 I134 L140 I166R130-F142 HydrophobicContact CB-CE2 3.99Å; R130-F142 HydrophobicContact CB-CZ 4.04Å; R130-F142 HydrophobicContact CG-CD1 3.96Å; R130-F142 HydrophobicContact CG-CD2 3.98Å; R130-F142 HydrophobicContact CG-CE1 3.7Å; R130-F142 HydrophobicContact CG-CE2 3.72Å; R130-F142 HydrophobicContact CG-CG 4.09Å; R130-F142 HydrophobicContact CG-CZ 3.58Å; V133-F142 HydrophobicContact CB-CE2 4.07Å; V133-F142 HydrophobicContact CB-CZ 3.69Å; V133-F142 HydrophobicContact CG1-CE2 3.75Å; V133-F142 HydrophobicContact CG1-CZ 3.58Å; V133-F142 HydrophobicContact CG2-CZ 4.01Å; I134-F142 HydrophobicContact CG1-CE2 4.39Å; L140-F142 HydrophobicContact CD2-CE2 4.32Å; F142-I166 HydrophobicContact CD1-CD1 4.12Å; F142-I166 HydrophobicContact CE1-CD1 3.51Å; F142-I166 HydrophobicContact CE1-CG1 4.46Å; F142-I166 HydrophobicContact CZ-CD1 4.09Å
143G72.6Confident81.3Confident12 Ų1254.2 Ų54.212%0.12428%0.284CS..SBendtrans123.2-178.5-167.800000111.1I145 Q195G143-I145 PolarHBondContact O-N 2.92Å; G143-Q195 WeakPolarHBondContact O-CB 3.17Å
144I78.5Confident81.6Confident22 Ų2254.9 Ų54.911%0.11329%0.287CS..  trans-70.3122-173.9-63.9-175000111V146 M193 E194 V196 F419 T421 F423I144-V146 HydrophobicContact CG2-CG2 4Å; I144-M193 HydrophobicContact CG2-CB 3.97Å; I144-E194 VanDerWaalsContact CA-O 3.31Å; I144-E194 WeakPolarHBondContact CA-O 3.46Å; I144-V196 HydrophobicContact CD1-CB 4.36Å; I144-V196 HydrophobicContact CD1-CG1 4.19Å; I144-V196 HydrophobicContact CD1-CG2 4.16Å; I144-F419 HydrophobicContact CD1-CB 3.87Å; I144-F419 HydrophobicContact CD1-CD2 3.54Å; I144-F419 HydrophobicContact CD1-CG 4.1Å; I144-F419 HydrophobicContact CG1-CB 3.99Å; I144-F419 HydrophobicContact CG1-CD2 4.47Å; I144-T421 HydrophobicContact CB-CG2 4.21Å; I144-T421 HydrophobicContact CD1-CG2 3.93Å; I144-T421 HydrophobicContact CG2-CG2 4.15Å; I144-F423 HydrophobicContact CD1-CE2 4.42Å; I144-F423 HydrophobicContact CD1-CZ 3.96Å
145I83.7Confident82Confident29 Ų2954.9 Ų54.915%0.14929%0.288CS..EExtended strand (participates in β ladder)trans-98.6107.5173.7-58.1-178.6000108.4L140 G143 I163 E194 Q195L140-I145 HydrophobicContact CD1-CD1 3.63Å; G143-I145 PolarHBondContact O-N 2.92Å; I145-I163 HydrophobicContact CD1-CG2 4.16Å; I145-I163 HydrophobicContact CG2-CB 4.19Å; I145-I163 HydrophobicContact CG2-CD1 4.12Å; I145-I163 HydrophobicContact CG2-CG2 4.1Å; I145-E194 HydrophobicContact CB-CB 4.28Å; I145-E194 PolarHBondContact N-O 2.87Å; I145-E194 PolarHBondContact O-N 2.71Å; I145-Q195 VanDerWaalsContact CD1-NE2 3.28Å
146V85.3Confident82.4Confident11 Ų1148.7 Ų48.77%0.06726%0.259CS..EExtended strand (participates in β ladder)trans-90.1126.6173.6-171.60000109.8I144 T191 V192 M193 K382I144-V146 HydrophobicContact CG2-CG2 4Å; V146-T191 HydrophobicContact CG1-CG2 4.05Å; V146-V192 CarbonylContact C-O 3.6Å; V146-V192 WeakPolarHBondContact CA-O 3.31Å; V146-M193 HydrophobicContact CG1-CG 4.21Å; V146-M193 HydrophobicContact CG2-CG 4.02Å; V146-M193 HydrophobicContact CG2-SD 4.24Å; V146-K382 WeakPolarHBondContact O-CE 3.26Å; V146-K382 PolarHBondContact O-NZ 3.11Å
147H86.7Confident82.9Confident13 Ų1345.3 Ų45.36%0.0624%0.242CC..EExtended strand (participates in β ladder)trans-144.1174.8170.670.997.2000111.9T161 I163 T191 V192 E194H147-T161 PolarHBondContact CE1-O 3.26Å; H147-I163 HydrophobicContact CB-CD1 3.71Å; H147-T191 WeakPolarHBondContact O-CA 3.22Å; H147-T191 WeakPolarHBondContact O-CG2 3.36Å; H147-V192 PolarHBondContact N-O 2.7Å; H147-V192 PolarHBondContact O-N 3.37Å; H147-E194 IonicContact CD2-OE1 2.84Å; H147-E194 IonicContact CE1-OE1 3.7Å; H147-E194 IonicContact NE2-OE1 2.81Å; H147-E194 PolarHBondContact NE2-OE1 2.6Å
148R87.2Confident83.2Confident27 Ų2741.3 Ų41.310%0.10222%0.223CC..EExtended strand (participates in β ladder)trans-133.5136.3177.1-65.7-171.2-164.412117.3109.2L190 T191 D375 M379R148-L190 VanDerWaalsContact CA-O 3.31Å; R148-L190 WeakPolarHBondContact CA-O 3.46Å; R148-T191 HydrophobicContact CG-CG2 3.95Å; R148-T191 WeakPolarHBondContact CG-OG1 3.49Å; R148-T191 PolarHBondContact NE-OG1 2.9Å; R148-D375 IonicContact CZ-OD1 2.77Å; R148-D375 IonicContact NE-OD1 3.76Å; R148-D375 PolarHBondContact NE-OD1 3.29Å; R148-D375 VanDerWaalsContact NH2-CB 3.27Å; R148-D375 PolarHBondContact NH2-O 3.3Å; R148-D375 IonicContact NH2-OD1 2.72Å; R148-D375 PolarHBondContact NH2-OD1 3.04Å; R148-M379 HydrophobicContact CB-CE 4.2Å; R148-M379 HydrophobicContact CG-CE 3.64Å; R148-M379 VanDerWaalsContact CZ-CE 3.45Å; R148-M379 PolarHBondContact NH1-SD 3.08Å
149L89Confident83.5Confident8 Ų839.3 Ų39.34%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-72.2165.7167.8-58.4-171.9000110.3E153 L155 T161 R189 L190L149-E153 HydrophobicContact CB-CB 4.32Å; L149-E153 WeakPolarHBondContact CB-O 3.4Å; L149-E153 HydrophobicContact CD1-CG 4.32Å; L149-E153 VanDerWaalsContact CD1-O 3.32Å; L149-E153 WeakPolarHBondContact CD1-O 3.3Å; L149-L155 WeakPolarHBondContact CD1-O 3.34Å; L149-T161 HydrophobicContact CD2-CG2 4.31Å; L149-R189 WeakPolarHBondContact O-CG 3.32Å; L149-R189 PolarHBondContact O-NE 2.7Å; L149-L190 HydrophobicContact CB-CB 4.41Å; L149-L190 HydrophobicContact CD1-CB 4.33Å; L149-L190 HydrophobicContact CD1-CD2 3.75Å; L149-L190 HydrophobicContact CG-CB 4.42Å; L149-L190 HydrophobicContact CG-CD2 4.44Å; L149-L190 PolarHBondContact N-O 3.06Å
150P86.8Confident84.1Confident69 Ų6941.4 Ų41.445%0.44821%0.214SC..EExtended strand (participates in β ladder)trans-51165.8161.9-28.737.2000113.7E153P150-E153 HydrophobicContact CB-CB 4.09Å; P150-E153 VanDerWaalsContact CD-OE2 3.22Å; P150-E153 WeakPolarHBondContact CD-OE2 3.33Å; P150-E153 HydrophobicContact CG-CB 4.46Å; P150-E153 VanDerWaalsContact CG-OE2 3.32Å; P150-E153 WeakPolarHBondContact CG-OE2 3.48Å; P150-E153 PolarHBondContact O-N 2.85Å
151K82.6Confident84.8Confident79 Ų7942.2 Ų42.234%0.34322%0.22SC..EExtended strand (participates in β ladder)trans-72.7134177.7-58.7157-170.71700108.2E153 E306 W369K151-E153 PolarHBondContact O-N 3Å; K151-E153 VanDerWaalsContact O-N 3.17Å; K151-E306 WeakPolarHBondContact CE-OE2 3.35Å; K151-E306 IonicContact NZ-OE1 2.9Å; K151-E306 IonicContact NZ-OE2 2.74Å; K151-E306 PolarHBondContact NZ-OE2 2.68Å; K151-W369 HydrophobicContact CB-CZ2 4.3Å; K151-W369 HydrophobicContact CD-CZ2 3.9Å; K151-W369 HydrophobicContact CG-CH2 4.26Å; K151-W369 HydrophobicContact CG-CZ2 3.69Å
152G82.1Confident85.8Confident26 Ų2637.8 Ų37.827%0.26820%0.201SC..SBendtrans74.9-17.5-172.600000115.9L154 Y188G152-L154 PolarHBondContact O-N 3.4Å; G152-Y188 PolarHBondContact N-O 3.11Å
153E87.7Confident86.6Confident75 Ų7539.9 Ų39.935%0.3521%0.213SC..  trans-77.792.6173.6-168.5174.3-179.200110.1L149 P150 K151L149-E153 HydrophobicContact CB-CB 4.32Å; L149-E153 WeakPolarHBondContact CB-O 3.4Å; L149-E153 HydrophobicContact CD1-CG 4.32Å; L149-E153 VanDerWaalsContact CD1-O 3.32Å; L149-E153 WeakPolarHBondContact CD1-O 3.3Å; P150-E153 HydrophobicContact CB-CB 4.09Å; P150-E153 VanDerWaalsContact CD-OE2 3.22Å; P150-E153 WeakPolarHBondContact CD-OE2 3.33Å; P150-E153 HydrophobicContact CG-CB 4.46Å; P150-E153 VanDerWaalsContact CG-OE2 3.32Å; P150-E153 WeakPolarHBondContact CG-OE2 3.48Å; P150-E153 PolarHBondContact O-N 2.85Å; K151-E153 PolarHBondContact O-N 3Å; K151-E153 VanDerWaalsContact O-N 3.17Å
154L90.5Very high87.2Confident13 Ų1339.3 Ų39.37%0.06821%0.207CC..  trans-101.221.2-178.4-59.7-177.2000113.2G152 F177 I179 A185 L190G152-L154 PolarHBondContact O-N 3.4Å; L154-F177 HydrophobicContact CB-CB 4.23Å; L154-F177 VanDerWaalsContact CB-O 3.29Å; L154-F177 WeakPolarHBondContact CB-O 3.49Å; L154-F177 WeakPolarHBondContact CD1-O 3.42Å; L154-F177 PolarHBondContact O-N 2.9Å; L154-I179 HydrophobicContact CD1-CD1 3.71Å; L154-I179 HydrophobicContact CD1-CG1 3.97Å; L154-A185 HydrophobicContact CD1-CB 4.13Å; L154-L190 HydrophobicContact CD2-CB 4.19Å
155L93.1Very high87.5Confident72 Ų7238.9 Ų38.938%0.37721%0.206SC..EExtended strand (participates in β ladder)trans-114110.5179.1177.865.6000110.8L149 E176L149-L155 WeakPolarHBondContact CD1-O 3.34Å; L155-E176 HydrophobicContact CD1-CB 3.92Å; L155-E176 HydrophobicContact CD1-CG 4.36Å
156W93.6Very high87.5Confident0 Ų037.7 Ų37.70%020%0.2CC..EExtended strand (participates in β ladder)trans-97.8133.7168.7-178.987.4000110.3T161 A162 Y167 F173 S174 V175 L190 V192 E194 T205 F207W156-T161 WeakPolarHBondContact CA-OG1 3.43Å; W156-A162 HydrophobicContact CH2-CB 4.22Å; W156-A162 HydrophobicContact CZ2-CB 3.41Å; W156-A162 VanDerWaalsContact CZ2-CB 3.41Å; W156-Y167 HydrophobicContact CH2-CD1 4.24Å; W156-Y167 HydrophobicContact CH2-CD2 4.28Å; W156-Y167 HydrophobicContact CH2-CE1 4.41Å; W156-Y167 HydrophobicContact CH2-CE2 4.48Å; W156-Y167 HydrophobicContact CH2-CG 4.17Å; W156-Y167 HydrophobicContact CZ2-CD2 4.24Å; W156-Y167 HydrophobicContact CZ2-CE2 4.3Å; W156-F173 HydrophobicContact CH2-CE2 4.5Å; W156-F173 HydrophobicContact CH2-CZ 4.08Å; W156-F173 HydrophobicContact CZ3-CD2 4.28Å; W156-F173 HydrophobicContact CZ3-CE1 4.33Å; W156-F173 AromaticContact CZ3-CE2 3.68Å; W156-F173 HydrophobicContact CZ3-CE2 3.68Å; W156-F173 AromaticContact CZ3-CZ 3.7Å; W156-F173 HydrophobicContact CZ3-CZ 3.7Å; W156-S174 CarbonylContact O-C 3.55Å; W156-S174 VanDerWaalsContact O-CA 3.27Å; W156-S174 WeakPolarHBondContact O-CA 3.22Å; W156-S174 WeakPolarHBondContact O-CB 3.05Å; W156-V175 HydrophobicContact CE3-CB 4.49Å; W156-V175 HydrophobicContact CE3-CG2 4.08Å; W156-V175 HydrophobicContact CZ3-CG2 4.45Å; W156-V175 PolarHBondContact N-O 3.43Å; W156-V175 PolarHBondContact O-N 3.2Å; W156-L190 HydrophobicContact CB-CD2 4.41Å; W156-V192 HydrophobicContact CG-CG1 4.5Å; W156-E194 HydrophobicContact CZ2-CG 4.03Å; W156-E194 PolarHBondContact NE1-OE1 2.9Å; W156-T205 HydrophobicContact CH2-CG2 4.48Å; W156-T205 HydrophobicContact CZ2-CG2 4.22Å; W156-F207 HydrophobicContact CB-CE1 3.75Å; W156-F207 HydrophobicContact CB-CZ 4.43Å; W156-F207 AromaticContact CD2-CE1 3.98Å; W156-F207 HydrophobicContact CD2-CE1 3.98Å; W156-F207 HydrophobicContact CD2-CZ 4Å; W156-F207 HydrophobicContact CE3-CE1 4.27Å; W156-F207 AromaticContact CE3-CZ 3.87Å; W156-F207 HydrophobicContact CE3-CZ 3.87Å; W156-F207 AromaticContact CG-CE1 3.79Å; W156-F207 HydrophobicContact CG-CE1 3.79Å; W156-F207 HydrophobicContact CG-CZ 4.3Å; W156-F207 HydrophobicContact CZ3-CZ 4.43Å
157N92.2Very high87.5Confident38 Ų3837.6 Ų37.620%0.20320%0.198CC..EExtended strand (participates in β ladder)trans-139.5124.1-175.9-177.5-46.9000110.5S159 K160 T161 A162N157-S159 PolarHBondContact O-N 2.79Å; N157-S159 PolarHBondContact OD1-N 3.02Å; N157-K160 HydrophobicContact CB-CB 4.39Å; N157-K160 PolarHBondContact O-N 2.71Å; N157-T161 PolarHBondContact N-OG1 2.8Å; N157-T161 PolarHBondContact O-N 3.24Å; N157-A162 PolarHBondContact O-N 3.23Å
158T89.8Confident87.4Confident0 Ų042.7 Ų42.70%022%0.217CC..THydrogen-bonded Turntrans-46.5-38.1179.1-65.20000113.5R168 F173T158-R168 HydrophobicContact CG2-CB 4.28Å; T158-R168 HydrophobicContact CG2-CG 3.63Å; T158-R168 VanDerWaalsContact O-CG 3.28Å; T158-R168 WeakPolarHBondContact O-CG 3.33Å; T158-R168 PolarHBondContact O-NE 3.04Å; T158-F173 VanDerWaalsContact CB-O 3.22Å; T158-F173 WeakPolarHBondContact CB-O 3.38Å; T158-F173 PolarHBondContact N-O 2.9Å; T158-F173 PolarHBondContact OG1-N 3.05Å; T158-F173 PolarHBondContact OG1-O 3.02Å
159S85.6Confident87.1Confident51 Ų5142.8 Ų42.836%0.35722%0.219SC..THydrogen-bonded Turntrans-91.4-13.2-174.4-55.80000114.4N157N157-S159 PolarHBondContact O-N 2.79Å; N157-S159 PolarHBondContact OD1-N 3.02Å
160K87.1Confident86.9Confident175 Ų17543.6 Ų43.676%0.76122%0.223SC*.THydrogen-bonded Turntrans-123.4-55.5-174.5-66.4-170.5178.1-176.90114.4N157N157-K160 HydrophobicContact CB-CB 4.39Å; N157-K160 PolarHBondContact O-N 2.71Å
161T88.1Confident86.8Confident33 Ų3340.7 Ų40.720%0.20220%0.204CC..THydrogen-bonded Turntrans-107.1-10.4-171.557.60000113.5H147 L149 W156 N157H147-T161 PolarHBondContact CE1-O 3.26Å; L149-T161 HydrophobicContact CD2-CG2 4.31Å; W156-T161 WeakPolarHBondContact CA-OG1 3.43Å; N157-T161 PolarHBondContact N-OG1 2.8Å; N157-T161 PolarHBondContact O-N 3.24Å
162A88.8Confident87.1Confident3 Ų339 Ų393%0.02520%0.198CC..  trans-74131.2170.900000111.8W156 N157 R168 E194W156-A162 HydrophobicContact CH2-CB 4.22Å; W156-A162 HydrophobicContact CZ2-CB 3.41Å; W156-A162 VanDerWaalsContact CZ2-CB 3.41Å; N157-A162 PolarHBondContact O-N 3.23Å; A162-R168 PolarHBondContact O-NH2 2.88Å; A162-E194 VanDerWaalsContact CA-OE1 3.26Å; A162-E194 WeakPolarHBondContact CA-OE1 3.2Å
163I87.5Confident87.5Confident81 Ų8138.3 Ų38.342%0.41519%0.188SC..  trans-85.6-35.8-178.1-60.4-178.5000110.6I145 H147 P165 E194I145-I163 HydrophobicContact CD1-CG2 4.16Å; I145-I163 HydrophobicContact CG2-CB 4.19Å; I145-I163 HydrophobicContact CG2-CD1 4.12Å; I145-I163 HydrophobicContact CG2-CG2 4.1Å; H147-I163 HydrophobicContact CB-CD1 3.71Å; I163-P165 WeakPolarHBondContact O-CD 3.35Å; I163-E194 PolarHBondContact N-OE1 3.22Å; I163-E194 PolarHBondContact N-OE2 3.43Å
164S85.4Confident87.8Confident0 Ų035.4 Ų35.40%018%0.176CC..  trans-78.5116.8178.1-168.40000111.6I166 E194 Q195S164-I166 PolarHBondContact O-N 3.3Å; S164-I166 WeakPolarHBondContact OG-CG1 3.31Å; S164-E194 WeakPolarHBondContact CB-OE2 3.3Å; S164-E194 PolarHBondContact N-OE2 3.31Å; S164-Q195 WeakPolarHBondContact OG-CG 3.4Å; S164-Q195 PolarHBondContact OG-NE2 3.16Å
165P84.2Confident88Confident14 Ų1434.8 Ų34.89%0.09117%0.173CC..Hα-helixtrans-68-11.6175.431.5-38.3000112.8V133 Q137 L140 I163 Y167 R168 M169V133-P165 HydrophobicContact CG1-CG 3.96Å; Q137-P165 HydrophobicContact CB-CG 4.14Å; L140-P165 HydrophobicContact CD2-CG 3.92Å; I163-P165 WeakPolarHBondContact O-CD 3.35Å; P165-Y167 PolarHBondContact O-N 2.73Å; P165-R168 WeakPolarHBondContact O-CB 3.43Å; P165-R168 PolarHBondContact O-N 2.81Å; P165-M169 PolarHBondContact O-N 2.97Å
166I84.3Confident88.1Confident3 Ų333.9 Ų33.92%0.01517%0.167CC..Hα-helixtrans-59.5-37.8-179.9-53.8173.5000110.7V133 F142 S164 R168 M169 L170 Q195 L203V133-I166 HydrophobicContact CG1-CG1 4.35Å; V133-I166 HydrophobicContact CG2-CG1 4.08Å; F142-I166 HydrophobicContact CD1-CD1 4.12Å; F142-I166 HydrophobicContact CE1-CD1 3.51Å; F142-I166 HydrophobicContact CE1-CG1 4.46Å; F142-I166 HydrophobicContact CZ-CD1 4.09Å; S164-I166 PolarHBondContact O-N 3.3Å; S164-I166 WeakPolarHBondContact OG-CG1 3.31Å; I166-R168 VanDerWaalsContact C-N 3.34Å; I166-R168 PolarHBondContact O-N 2.77Å; I166-M169 WeakPolarHBondContact O-CB 3.45Å; I166-M169 PolarHBondContact O-N 2.92Å; I166-M169 VanDerWaalsContact O-N 3.16Å; I166-L170 HydrophobicContact CG2-CD1 3.91Å; I166-L170 HydrophobicContact CG2-CG 4.37Å; I166-L170 WeakPolarHBondContact O-CG 3.35Å; I166-L170 PolarHBondContact O-N 2.9Å; I166-L170 VanDerWaalsContact O-N 3.15Å; I166-Q195 HydrophobicContact CD1-CG 4.29Å; I166-L203 HydrophobicContact CB-CD1 4.45Å; I166-L203 HydrophobicContact CD1-CD1 4.36Å; I166-L203 HydrophobicContact CG2-CD1 3.68Å
167Y85.8Confident88.1Confident10 Ų1034.1 Ų34.14%0.03917%0.168CC..Hα-helixtrans-61-42.9175.2-62.7-78000111.4W156 P165 M169 L170 L171 F173 E194 Q195 C204 T205W156-Y167 HydrophobicContact CH2-CD1 4.24Å; W156-Y167 HydrophobicContact CH2-CD2 4.28Å; W156-Y167 HydrophobicContact CH2-CE1 4.41Å; W156-Y167 HydrophobicContact CH2-CE2 4.48Å; W156-Y167 HydrophobicContact CH2-CG 4.17Å; W156-Y167 HydrophobicContact CZ2-CD2 4.24Å; W156-Y167 HydrophobicContact CZ2-CE2 4.3Å; P165-Y167 PolarHBondContact O-N 2.73Å; Y167-M169 PolarHBondContact O-N 2.91Å; Y167-L170 PolarHBondContact O-N 2.03Å; Y167-L170 VanDerWaalsContact O-N 3.09Å; Y167-L171 CarbonylContact O-C 3.53Å; Y167-L171 PolarHBondContact O-N 2.87Å; Y167-F173 HydrophobicContact CD1-CE1 4.19Å; Y167-E194 HydrophobicContact CE2-CB 3.95Å; Y167-E194 HydrophobicContact CE2-CG 3.87Å; Y167-Q195 PolarHBondContact OH-N 2.99Å; Y167-C204 PolarHBondContact OH-O 3.12Å; Y167-T205 WeakPolarHBondContact CE1-OG1 3.06Å; Y167-T205 VanDerWaalsContact CZ-OG1 3.25Å; Y167-T205 PolarHBondContact OH-OG1 2.88Å
168R83.3Confident88.1Confident120 Ų12035.2 Ų35.245%0.45317%0.172SC..Hα-helixtrans-64-23.9177.2-57.5176.8-164.4-178.17.3113.1T158 A162 P165 I166T158-R168 HydrophobicContact CG2-CB 4.28Å; T158-R168 HydrophobicContact CG2-CG 3.63Å; T158-R168 VanDerWaalsContact O-CG 3.28Å; T158-R168 WeakPolarHBondContact O-CG 3.33Å; T158-R168 PolarHBondContact O-NE 3.04Å; A162-R168 PolarHBondContact O-NH2 2.88Å; P165-R168 WeakPolarHBondContact O-CB 3.43Å; P165-R168 PolarHBondContact O-N 2.81Å; I166-R168 VanDerWaalsContact C-N 3.34Å; I166-R168 PolarHBondContact O-N 2.77Å
169M82.8Confident88Confident28 Ų2835.6 Ų35.614%0.13817%0.174CC..Hα-helixtrans-79.6-33.7173.8-63.4-179.5171.100113.1L109 L129 V133 I136 P165 I166 Y167L109-M169 HydrophobicContact CD1-SD 4.36Å; L129-M169 HydrophobicContact CD1-SD 3.98Å; V133-M169 HydrophobicContact CB-CE 4.31Å; V133-M169 HydrophobicContact CG2-CE 3.53Å; V133-M169 HydrophobicContact CG2-SD 3.54Å; V133-M169 VanDerWaalsContact CG2-SD 3.54Å; I136-M169 HydrophobicContact CD1-CE 3.68Å; P165-M169 PolarHBondContact O-N 2.97Å; I166-M169 WeakPolarHBondContact O-CB 3.45Å; I166-M169 PolarHBondContact O-N 2.92Å; I166-M169 VanDerWaalsContact O-N 3.16Å; Y167-M169 PolarHBondContact O-N 2.91Å
170L83.4Confident88Confident25 Ų2537.6 Ų37.613%0.13118%0.177CC..Hα-helixtrans-88.7-55.5-175.3-65.3168.8000112.2F102 A105 I166 Y167 F202F102-L170 HydrophobicContact CB-CD2 4.45Å; A105-L170 HydrophobicContact CB-CD2 3.92Å; I166-L170 HydrophobicContact CG2-CD1 3.91Å; I166-L170 HydrophobicContact CG2-CG 4.37Å; I166-L170 WeakPolarHBondContact O-CG 3.35Å; I166-L170 PolarHBondContact O-N 2.9Å; I166-L170 VanDerWaalsContact O-N 3.15Å; Y167-L170 PolarHBondContact O-N 2.03Å; Y167-L170 VanDerWaalsContact O-N 3.09Å; L170-F202 HydrophobicContact CD1-CD1 4.18Å; L170-F202 HydrophobicContact CD1-CE1 3.99Å; L170-F202 HydrophobicContact CD2-CE1 4.5Å
171L84.9Confident87.9Confident8 Ų831.4 Ų31.44%0.04216%0.155CC..  trans-165.3122.5-170179.770.1000110.6L101 Y167 F173 V237 F239L101-L171 HydrophobicContact CD1-CB 4.25Å; L101-L171 HydrophobicContact CD1-CD2 4.21Å; L101-L171 HydrophobicContact CD2-CB 4.33Å; L101-L171 HydrophobicContact CD2-CD1 4.38Å; Y167-L171 CarbonylContact O-C 3.53Å; Y167-L171 PolarHBondContact O-N 2.87Å; L171-F173 HydrophobicContact CB-CD1 4.5Å; L171-F173 HydrophobicContact CD2-CD1 3.96Å; L171-F173 HydrophobicContact CG-CD1 4.13Å; L171-F173 WeakPolarHBondContact O-CD1 3.17Å; L171-F173 PolarHBondContact O-N 2.85Å; L171-V237 HydrophobicContact CD1-CG2 4.07Å; L171-V237 HydrophobicContact CD2-CB 3.95Å; L171-V237 HydrophobicContact CD2-CG1 3.97Å; L171-V237 HydrophobicContact CD2-CG2 3.88Å; L171-F239 HydrophobicContact CD2-CE1 4.42Å; L171-F239 HydrophobicContact CD2-CE2 4.34Å; L171-F239 HydrophobicContact CD2-CZ 3.63Å
172N88.7Confident87.6Confident43 Ų4334.4 Ų34.423%0.2318%0.177CC..  trans-78.7114.4168-75.9-7.6000110.4E228N172-E228 HydrophobicContact CB-CB 3.96Å; N172-E228 WeakPolarHBondContact CB-OE2 3.49Å; N172-E228 PolarHBondContact ND2-OE2 2.85Å; N172-E228 PolarHBondContact O-N 2.85Å; N172-E228 VanDerWaalsContact O-N 3.15Å
173F91.5Very high87.3Confident12 Ų1241.5 Ų41.55%0.05321%0.205CC..EExtended strand (participates in β ladder)trans-141.2163169.370.2-77.4000111.9W156 T158 Y167 L171 V175 I225 N226 F239W156-F173 HydrophobicContact CH2-CE2 4.5Å; W156-F173 HydrophobicContact CH2-CZ 4.08Å; W156-F173 HydrophobicContact CZ3-CD2 4.28Å; W156-F173 HydrophobicContact CZ3-CE1 4.33Å; W156-F173 AromaticContact CZ3-CE2 3.68Å; W156-F173 HydrophobicContact CZ3-CE2 3.68Å; W156-F173 AromaticContact CZ3-CZ 3.7Å; W156-F173 HydrophobicContact CZ3-CZ 3.7Å; T158-F173 VanDerWaalsContact CB-O 3.22Å; T158-F173 WeakPolarHBondContact CB-O 3.38Å; T158-F173 PolarHBondContact N-O 2.9Å; T158-F173 PolarHBondContact OG1-N 3.05Å; T158-F173 PolarHBondContact OG1-O 3.02Å; Y167-F173 HydrophobicContact CD1-CE1 4.19Å; L171-F173 HydrophobicContact CB-CD1 4.5Å; L171-F173 HydrophobicContact CD2-CD1 3.96Å; L171-F173 HydrophobicContact CG-CD1 4.13Å; L171-F173 WeakPolarHBondContact O-CD1 3.17Å; L171-F173 PolarHBondContact O-N 2.85Å; F173-V175 HydrophobicContact CD2-CG2 3.86Å; F173-V175 HydrophobicContact CE2-CG2 3.7Å; F173-I225 HydrophobicContact CD2-CG2 4.05Å; F173-N226 CarbonylContact C-O 3.6Å; F173-N226 WeakPolarHBondContact CA-O 3.26Å; F173-F239 HydrophobicContact CB-CZ 4.47Å; F173-F239 HydrophobicContact CD1-CZ 4.13Å; F173-F239 HydrophobicContact CD2-CE1 4.34Å; F173-F239 AromaticContact CD2-CZ 3.99Å; F173-F239 HydrophobicContact CD2-CZ 3.99Å; F173-F239 HydrophobicContact CE1-CE1 4.3Å; F173-F239 HydrophobicContact CE1-CZ 4.35Å; F173-F239 HydrophobicContact CE2-CE1 4.07Å; F173-F239 HydrophobicContact CE2-CZ 4.19Å; F173-F239 AromaticContact CG-CZ 3.95Å; F173-F239 HydrophobicContact CG-CZ 3.95Å; F173-F239 HydrophobicContact CZ-CE1 4.06Å; F173-F239 HydrophobicContact CZ-CZ 4.38Å
174S93.3Very high87Confident14 Ų1437.8 Ų37.810%0.09819%0.186CC..EExtended strand (participates in β ladder)trans-128.3153.5171.556.80000111.3W156 I225 N226W156-S174 CarbonylContact O-C 3.55Å; W156-S174 VanDerWaalsContact O-CA 3.27Å; W156-S174 WeakPolarHBondContact O-CA 3.22Å; W156-S174 WeakPolarHBondContact O-CB 3.05Å; S174-I225 CarbonylContact O-C 3.55Å; S174-I225 WeakPolarHBondContact O-CA 3.42Å; S174-N226 PolarHBondContact N-O 2.94Å; S174-N226 PolarHBondContact O-N 3.38Å
175V94.7Very high86.8Confident0 Ų038.9 Ų38.90%019%0.194CC..EExtended strand (participates in β ladder)trans-128.9116.8-178.3-172.70000108.1I91 W156 F173 F177 F207 I223 R224I91-V175 HydrophobicContact CD1-CG1 3.69Å; I91-V175 HydrophobicContact CD1-CG2 4.01Å; W156-V175 HydrophobicContact CE3-CB 4.49Å; W156-V175 HydrophobicContact CE3-CG2 4.08Å; W156-V175 HydrophobicContact CZ3-CG2 4.45Å; W156-V175 PolarHBondContact N-O 3.43Å; W156-V175 PolarHBondContact O-N 3.2Å; F173-V175 HydrophobicContact CD2-CG2 3.86Å; F173-V175 HydrophobicContact CE2-CG2 3.7Å; V175-F177 HydrophobicContact CB-CE2 4.35Å; V175-F177 HydrophobicContact CG1-CD2 4.2Å; V175-F177 HydrophobicContact CG1-CE2 3.48Å; V175-F177 VanDerWaalsContact CG1-CE2 3.48Å; V175-F177 HydrophobicContact CG1-CZ 3.7Å; V175-F207 HydrophobicContact CB-CZ 4.19Å; V175-F207 HydrophobicContact CG1-CE2 4.45Å; V175-F207 HydrophobicContact CG1-CZ 4.42Å; V175-F207 HydrophobicContact CG2-CE2 4.37Å; V175-F207 HydrophobicContact CG2-CZ 4.07Å; V175-I223 HydrophobicContact CG1-CG2 3.89Å; V175-R224 CarbonylContact C-O 3.6Å; V175-R224 WeakPolarHBondContact CA-O 3.44Å
176E94.4Very high86.7Confident54 Ų5444 Ų4425%0.25222%0.221SC..EExtended strand (participates in β ladder)trans-109.4129.8178.6-172.8-166.4174.300109.3L155 Q178 I223 R224L155-E176 HydrophobicContact CD1-CB 3.92Å; L155-E176 HydrophobicContact CD1-CG 4.36Å; E176-Q178 HydrophobicContact CG-CG 4.38Å; E176-Q178 PolarHBondContact OE1-NE2 2.91Å; E176-I223 WeakPolarHBondContact O-CA 3.13Å; E176-R224 HydrophobicContact CB-CB 4.27Å; E176-R224 PolarHBondContact N-O 3Å; E176-R224 PolarHBondContact O-N 2.95Å; E176-R224 WeakPolarHBondContact OE2-CD 3.32Å
177F94Very high86.6Confident4 Ų445 Ų452%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-108.1119.1175.1-63.9-95.3000110.7I89 L154 V175 L190 F207 L209 L221 E222 I223I89-F177 HydrophobicContact CB-CE1 4.36Å; I89-F177 HydrophobicContact CG1-CE1 4.36Å; I89-F177 HydrophobicContact CG2-CE1 4.3Å; L154-F177 HydrophobicContact CB-CB 4.23Å; L154-F177 VanDerWaalsContact CB-O 3.29Å; L154-F177 WeakPolarHBondContact CB-O 3.49Å; L154-F177 WeakPolarHBondContact CD1-O 3.42Å; L154-F177 PolarHBondContact O-N 2.9Å; V175-F177 HydrophobicContact CB-CE2 4.35Å; V175-F177 HydrophobicContact CG1-CD2 4.2Å; V175-F177 HydrophobicContact CG1-CE2 3.48Å; V175-F177 VanDerWaalsContact CG1-CE2 3.48Å; V175-F177 HydrophobicContact CG1-CZ 3.7Å; F177-L190 HydrophobicContact CD2-CD1 4.07Å; F177-L190 HydrophobicContact CD2-CD2 4.1Å; F177-L190 HydrophobicContact CE2-CD1 4.08Å; F177-L190 HydrophobicContact CE2-CD2 4.14Å; F177-F207 HydrophobicContact CE1-CB 4.28Å; F177-F207 HydrophobicContact CE2-CB 4.02Å; F177-F207 AromaticContact CE2-CD1 3.68Å; F177-F207 HydrophobicContact CE2-CD1 3.68Å; F177-F207 HydrophobicContact CE2-CD2 4.32Å; F177-F207 HydrophobicContact CE2-CE1 4.19Å; F177-F207 AromaticContact CE2-CG 3.75Å; F177-F207 HydrophobicContact CE2-CG 3.75Å; F177-F207 HydrophobicContact CZ-CB 3.5Å; F177-F207 VanDerWaalsContact CZ-CB 3.5Å; F177-F207 AromaticContact CZ-CD1 3.93Å; F177-F207 HydrophobicContact CZ-CD1 3.93Å; F177-F207 AromaticContact CZ-CD2 3.82Å; F177-F207 HydrophobicContact CZ-CD2 3.82Å; F177-F207 AromaticContact CZ-CG 3.47Å; F177-F207 HydrophobicContact CZ-CG 3.47Å; F177-F207 VanDerWaalsContact CZ-CG 3.47Å; F177-L209 HydrophobicContact CB-CD2 4.02Å; F177-L209 HydrophobicContact CD1-CD1 3.85Å; F177-L209 HydrophobicContact CD1-CD2 4.3Å; F177-L209 HydrophobicContact CE1-CD1 3.99Å; F177-L209 HydrophobicContact CG-CD1 4.3Å; F177-L209 HydrophobicContact CG-CD2 4.27Å; F177-L221 HydrophobicContact CB-CD1 4.38Å; F177-L221 HydrophobicContact CD1-CD1 4.25Å; F177-E222 WeakPolarHBondContact CA-O 3.49Å; F177-I223 HydrophobicContact CD1-CG1 3.79Å; F177-I223 HydrophobicContact CD1-CG2 4.45Å; F177-I223 HydrophobicContact CE1-CD1 4.16Å; F177-I223 HydrophobicContact CE1-CG1 3.79Å; F177-I223 HydrophobicContact CE1-CG2 4.1Å; F177-I223 HydrophobicContact CZ-CG2 4.45Å
178Q91.7Very high86.6Confident62 Ų6244.9 Ų44.929%0.2923%0.228SC..EExtended strand (participates in β ladder)trans-110.2119.6175.7-63.1-172.4-800109.7E176 E222 R224E176-Q178 HydrophobicContact CG-CG 4.38Å; E176-Q178 PolarHBondContact OE1-NE2 2.91Å; Q178-E222 HydrophobicContact CB-CB 4.22Å; Q178-E222 PolarHBondContact N-O 3.02Å; Q178-E222 PolarHBondContact O-N 2.88Å; Q178-R224 VanDerWaalsContact NE2-CZ 3.33Å; Q178-R224 VanDerWaalsContact NE2-NH1 3.16Å; Q178-R224 VanDerWaalsContact OE1-CZ 3.31Å
179I89.7Confident86.8Confident8 Ų840.7 Ų40.74%0.04121%0.212CC..EExtended strand (participates in β ladder)trans-102.7137.3-176.7-47.9175.9000108.9L154 P181 S182 Y188 L209 W218 L221L154-I179 HydrophobicContact CD1-CD1 3.71Å; L154-I179 HydrophobicContact CD1-CG1 3.97Å; I179-P181 CarbonylContact O-C 3.53Å; I179-S182 WeakPolarHBondContact O-CA 3.33Å; I179-Y188 HydrophobicContact CD1-CD1 3.8Å; I179-Y188 HydrophobicContact CD1-CD2 3.31Å; I179-Y188 HydrophobicContact CD1-CE1 4.27Å; I179-Y188 HydrophobicContact CD1-CE2 3.84Å; I179-Y188 HydrophobicContact CD1-CG 3.3Å; I179-Y188 HydrophobicContact CG2-CE2 4.19Å; I179-L209 HydrophobicContact CD1-CD2 3.85Å; I179-L209 HydrophobicContact CG1-CD2 4.21Å; I179-W218 HydrophobicContact CG2-CB 3.87Å; I179-L221 HydrophobicContact CG1-CD1 4.04Å
180Q85.4Confident87.1Confident92 Ų9239.4 Ų39.443%0.4321%0.206SC..EExtended strand (participates in β ladder)trans-112.4140.4169.3-66.8-176.14.600111.5S219 Y220Q180-S219 PolarHBondContact O-N 2.88Å; Q180-S219 PolarHBondContact O-OG 2.75Å; Q180-S219 VanDerWaalsContact O-OG 3.1Å; Q180-Y220 HydrophobicContact CB-CD1 3.99Å; Q180-Y220 HydrophobicContact CB-CG 4.49Å; Q180-Y220 VanDerWaalsContact CD-CD1 3.45Å; Q180-Y220 HydrophobicContact CG-CD1 3.69Å; Q180-Y220 HydrophobicContact CG-CE1 4.2Å; Q180-Y220 PolarHBondContact N-O 2.81Å
181P84.7Confident87.5Confident46 Ų4638.2 Ų38.230%0.29920%0.2SC..SBendcis-62.8144.6-6.2-25.336.4000114.7I179 Y183 L184I179-P181 CarbonylContact O-C 3.53Å; P181-Y183 VanDerWaalsContact C-N 3.32Å; P181-Y183 HydrophobicContact CB-CD1 3.67Å; P181-Y183 HydrophobicContact CB-CE1 3.28Å; P181-Y183 HydrophobicContact CG-CE1 3.97Å; P181-Y183 PolarHBondContact O-N 3.24Å; P181-L184 VanDerWaalsContact O-CB 3.31Å; P181-L184 WeakPolarHBondContact O-CB 3.41Å; P181-L184 WeakPolarHBondContact O-CG 3.27Å; P181-L184 PolarHBondContact O-N 3.06Å
182S82Confident87.8Confident95 Ų9537.9 Ų37.966%0.66420%0.198SC*.G310 helixtrans-61.5-33.7-170.751.10000114.4I179 L184 A185I179-S182 WeakPolarHBondContact O-CA 3.33Å; S182-L184 PolarHBondContact O-N 2.93Å; S182-A185 WeakPolarHBondContact O-CB 3.47Å; S182-A185 PolarHBondContact O-N 3.14Å
183Y81.8Confident87.9Confident152 Ų15235.9 Ų35.960%0.59619%0.187SC*.G310 helixtrans-61.3-9.8175.670.7-102.7000113.9P181P181-Y183 VanDerWaalsContact C-N 3.32Å; P181-Y183 HydrophobicContact CB-CD1 3.67Å; P181-Y183 HydrophobicContact CB-CE1 3.28Å; P181-Y183 HydrophobicContact CG-CE1 3.97Å; P181-Y183 PolarHBondContact O-N 3.24Å
184L81.3Confident87.7Confident4 Ų435.3 Ų35.32%0.02119%0.185CC..G310 helixtrans-80.9-23.7173.4-62.6-179.3000113.1P181 S182 D186 S187 Y188 K216P181-L184 VanDerWaalsContact O-CB 3.31Å; P181-L184 WeakPolarHBondContact O-CB 3.41Å; P181-L184 WeakPolarHBondContact O-CG 3.27Å; P181-L184 PolarHBondContact O-N 3.06Å; S182-L184 PolarHBondContact O-N 2.93Å; L184-D186 VanDerWaalsContact C-N 3.33Å; L184-D186 PolarHBondContact O-N 3.03Å; L184-S187 WeakPolarHBondContact O-CA 3.14Å; L184-S187 WeakPolarHBondContact O-CB 3.43Å; L184-S187 PolarHBondContact O-N 2.91Å; L184-S187 PolarHBondContact O-OG 3.34Å; L184-Y188 HydrophobicContact CB-CD2 4.28Å; L184-Y188 HydrophobicContact CB-CE2 3.98Å; L184-Y188 WeakPolarHBondContact O-CD2 3.26Å; L184-K216 HydrophobicContact CD2-CB 3.85Å; L184-K216 HydrophobicContact CD2-CD 3.89Å; L184-K216 HydrophobicContact CD2-CG 4.48Å
185A81.4Confident87.3Confident22 Ų2235 Ų3518%0.18218%0.181CC..G310 helixtrans-53-46.2-168.700000113.1L154 S182 S187 Y188L154-A185 HydrophobicContact CD1-CB 4.13Å; S182-A185 WeakPolarHBondContact O-CB 3.47Å; S182-A185 PolarHBondContact O-N 3.14Å; A185-S187 PolarHBondContact O-N 3.33Å; A185-S187 VanDerWaalsContact O-N 3.15Å; A185-Y188 PolarHBondContact O-N 3.02Å
186D81.3Confident86.9Confident123 Ų12335 Ų3566%0.65818%0.181SC*.G310 helixtrans-61.3-24.2178.6-48.9-35.1000113.4L184L184-D186 VanDerWaalsContact C-N 3.33Å; L184-D186 PolarHBondContact O-N 3.03Å
187S81.7Confident86.2Confident24 Ų2432.6 Ų32.617%0.16817%0.171CC..G310 helixtrans-87.1-4.6177.479.30000114.2L184 A185 S211 N212 W369L184-S187 WeakPolarHBondContact O-CA 3.14Å; L184-S187 WeakPolarHBondContact O-CB 3.43Å; L184-S187 PolarHBondContact O-N 2.91Å; L184-S187 PolarHBondContact O-OG 3.34Å; A185-S187 PolarHBondContact O-N 3.33Å; A185-S187 VanDerWaalsContact O-N 3.15Å; S187-S211 WeakPolarHBondContact O-CA 3.37Å; S187-N212 PolarHBondContact O-N 3.1Å; S187-W369 WeakPolarHBondContact O-CH2 3.35Å
188Y86Confident85.6Confident7 Ų733.3 Ų33.33%0.02718%0.175CC..EExtended strand (participates in β ladder)trans-98148.7174.2-80.4-95.2000111.7V86 G152 I179 L184 A185 L209 R210V86-Y188 HydrophobicContact CG2-CE1 3.73Å; G152-Y188 PolarHBondContact N-O 3.11Å; I179-Y188 HydrophobicContact CD1-CD1 3.8Å; I179-Y188 HydrophobicContact CD1-CD2 3.31Å; I179-Y188 HydrophobicContact CD1-CE1 4.27Å; I179-Y188 HydrophobicContact CD1-CE2 3.84Å; I179-Y188 HydrophobicContact CD1-CG 3.3Å; I179-Y188 HydrophobicContact CG2-CE2 4.19Å; L184-Y188 HydrophobicContact CB-CD2 4.28Å; L184-Y188 HydrophobicContact CB-CE2 3.98Å; L184-Y188 WeakPolarHBondContact O-CD2 3.26Å; A185-Y188 PolarHBondContact O-N 3.02Å; Y188-L209 HydrophobicContact CD1-CB 4.14Å; Y188-R210 CarbonylContact C-O 3.51Å; Y188-R210 VanDerWaalsContact CA-O 3.3Å; Y188-R210 WeakPolarHBondContact CA-O 3.34Å; Y188-R210 VanDerWaalsContact CD1-C 3.42Å
189R87.3Confident85Confident32 Ų3231.9 Ų31.912%0.12117%0.169CC..EExtended strand (participates in β ladder)trans-124134.4170.6-166.1175.4-168.3159.57.9108.8L149 R210 E306 W369L149-R189 WeakPolarHBondContact O-CG 3.32Å; L149-R189 PolarHBondContact O-NE 2.7Å; R189-R210 PolarHBondContact N-O 3.12Å; R189-R210 PolarHBondContact O-N 3.44Å; R189-E306 IonicContact CZ-OE1 2.77Å; R189-E306 IonicContact NH1-OE1 3.76Å; R189-E306 PolarHBondContact NH1-OE1 2.95Å; R189-E306 IonicContact NH2-OE1 3.45Å; R189-E306 PolarHBondContact NH2-OE1 3.02Å; R189-W369 HydrophobicContact CB-CH2 3.82Å; R189-W369 HydrophobicContact CB-CZ3 3.75Å
190L90.9Very high84.5Confident0 Ų037.4 Ų37.40%019%0.189CC..EExtended strand (participates in β ladder)trans-90.4120.7177.1-16967.9000110R148 L149 L154 W156 F177 V192 F207 L209R148-L190 VanDerWaalsContact CA-O 3.31Å; R148-L190 WeakPolarHBondContact CA-O 3.46Å; L149-L190 HydrophobicContact CB-CB 4.41Å; L149-L190 HydrophobicContact CD1-CB 4.33Å; L149-L190 HydrophobicContact CD1-CD2 3.75Å; L149-L190 HydrophobicContact CG-CB 4.42Å; L149-L190 HydrophobicContact CG-CD2 4.44Å; L149-L190 PolarHBondContact N-O 3.06Å; L154-L190 HydrophobicContact CD2-CB 4.19Å; W156-L190 HydrophobicContact CB-CD2 4.41Å; F177-L190 HydrophobicContact CD2-CD1 4.07Å; F177-L190 HydrophobicContact CD2-CD2 4.1Å; F177-L190 HydrophobicContact CE2-CD1 4.08Å; F177-L190 HydrophobicContact CE2-CD2 4.14Å; L190-V192 HydrophobicContact CD2-CG2 3.95Å; L190-V192 HydrophobicContact CG-CG2 3.96Å; L190-F207 HydrophobicContact CD1-CB 4.17Å; L190-F207 HydrophobicContact CD1-CD1 4.28Å; L190-F207 HydrophobicContact CD2-CD1 4.04Å; L190-F207 HydrophobicContact CG-CD1 4.38Å; L190-L209 HydrophobicContact CD1-CD1 3.71Å; L190-L209 HydrophobicContact CD1-CD2 4.5Å; L190-L209 HydrophobicContact CD1-CG 3.67Å
191T90.2Very high84.3Confident1 Ų133.7 Ų33.71%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-96.8129.2165.3-53.60000108.3V146 H147 R148 E208V146-T191 HydrophobicContact CG1-CG2 4.05Å; H147-T191 WeakPolarHBondContact O-CA 3.22Å; H147-T191 WeakPolarHBondContact O-CG2 3.36Å; R148-T191 HydrophobicContact CG-CG2 3.95Å; R148-T191 WeakPolarHBondContact CG-OG1 3.49Å; R148-T191 PolarHBondContact NE-OG1 2.9Å; T191-E208 PolarHBondContact N-O 2.66Å; T191-E208 PolarHBondContact O-N 2.9Å
192V91.9Very high84Confident0 Ų031.7 Ų31.70%016%0.159CC..EExtended strand (participates in β ladder)trans-117.5131.1-178-168.50000109V146 H147 W156 L190 E194 T205 F207V146-V192 CarbonylContact C-O 3.6Å; V146-V192 WeakPolarHBondContact CA-O 3.31Å; H147-V192 PolarHBondContact N-O 2.7Å; H147-V192 PolarHBondContact O-N 3.37Å; W156-V192 HydrophobicContact CG-CG1 4.5Å; L190-V192 HydrophobicContact CD2-CG2 3.95Å; L190-V192 HydrophobicContact CG-CG2 3.96Å; V192-E194 HydrophobicContact CG1-CG 4.09Å; V192-T205 HydrophobicContact CG1-CG2 3.54Å; V192-F207 HydrophobicContact CG1-CD1 4.02Å; V192-F207 HydrophobicContact CG1-CE1 3.76Å; V192-F207 HydrophobicContact CG1-CZ 4.49Å; V192-F207 HydrophobicContact CG2-CD1 4Å; V192-F207 HydrophobicContact CG2-CE1 4.13Å
193M89.9Confident84.1Confident1 Ų127.8 Ų27.81%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-112.7106.9169.9-56-167.2-76.200107.8I144 V146 V196 T205 T206 E208 F423I144-M193 HydrophobicContact CG2-CB 3.97Å; V146-M193 HydrophobicContact CG1-CG 4.21Å; V146-M193 HydrophobicContact CG2-CG 4.02Å; V146-M193 HydrophobicContact CG2-SD 4.24Å; M193-V196 HydrophobicContact CB-CG2 4.01Å; M193-V196 WeakPolarHBondContact O-CG2 3.48Å; M193-T205 WeakPolarHBondContact O-CA 3.4Å; M193-T206 HydrophobicContact CE-CG2 3.62Å; M193-T206 PolarHBondContact N-O 2.67Å; M193-T206 PolarHBondContact O-N 2.67Å; M193-E208 HydrophobicContact CE-CG 4.48Å; M193-E208 WeakPolarHBondContact CE-OE1 3.4Å; M193-F423 HydrophobicContact CE-CE1 4.35Å
194E89.1Confident84.6Confident0 Ų020.6 Ų20.60%010%0.102CC..EExtended strand (participates in β ladder)trans-90.6157.8177.7-77.6174.5-151.300111.4I144 I145 H147 W156 A162 I163 S164 Y167 V192 V196 T205I144-E194 VanDerWaalsContact CA-O 3.31Å; I144-E194 WeakPolarHBondContact CA-O 3.46Å; I145-E194 HydrophobicContact CB-CB 4.28Å; I145-E194 PolarHBondContact N-O 2.87Å; I145-E194 PolarHBondContact O-N 2.71Å; H147-E194 IonicContact CD2-OE1 2.84Å; H147-E194 IonicContact CE1-OE1 3.7Å; H147-E194 IonicContact NE2-OE1 2.81Å; H147-E194 PolarHBondContact NE2-OE1 2.6Å; W156-E194 HydrophobicContact CZ2-CG 4.03Å; W156-E194 PolarHBondContact NE1-OE1 2.9Å; A162-E194 VanDerWaalsContact CA-OE1 3.26Å; A162-E194 WeakPolarHBondContact CA-OE1 3.2Å; I163-E194 PolarHBondContact N-OE1 3.22Å; I163-E194 PolarHBondContact N-OE2 3.43Å; S164-E194 WeakPolarHBondContact CB-OE2 3.3Å; S164-E194 PolarHBondContact N-OE2 3.31Å; Y167-E194 HydrophobicContact CE2-CB 3.95Å; Y167-E194 HydrophobicContact CE2-CG 3.87Å; V192-E194 HydrophobicContact CG1-CG 4.09Å; E194-V196 VanDerWaalsContact C-N 3.33Å; E194-V196 PolarHBondContact O-N 2.94Å; E194-T205 HydrophobicContact CG-CG2 4.15Å
195Q83.7Confident85.2Confident7 Ų720.5 Ų20.53%0.03310%0.102CC..EExtended strand (participates in β ladder)trans58.435.1-179.2-58179.866.200114.5G143 I145 S164 I166 Y167 P197 L203G143-Q195 WeakPolarHBondContact O-CB 3.17Å; I145-Q195 VanDerWaalsContact CD1-NE2 3.28Å; S164-Q195 WeakPolarHBondContact OG-CG 3.4Å; S164-Q195 PolarHBondContact OG-NE2 3.16Å; I166-Q195 HydrophobicContact CD1-CG 4.29Å; Y167-Q195 PolarHBondContact OH-N 2.99Å; Q195-P197 VanDerWaalsContact O-CD 3.29Å; Q195-P197 WeakPolarHBondContact O-CD 3.4Å; Q195-L203 HydrophobicContact CB-CD2 4.17Å
196V86.1Confident85.8Confident0 Ų019.4 Ų19.40%09%0.093CC..EExtended strand (participates in β ladder)trans-67.4114176.5-173.60000108.7I144 M193 E194 C204 P250 F251I144-V196 HydrophobicContact CD1-CB 4.36Å; I144-V196 HydrophobicContact CD1-CG1 4.19Å; I144-V196 HydrophobicContact CD1-CG2 4.16Å; M193-V196 HydrophobicContact CB-CG2 4.01Å; M193-V196 WeakPolarHBondContact O-CG2 3.48Å; E194-V196 VanDerWaalsContact C-N 3.33Å; E194-V196 PolarHBondContact O-N 2.94Å; V196-C204 HydrophobicContact CB-CB 4.37Å; V196-C204 PolarHBondContact N-O 3.45Å; V196-C204 PolarHBondContact O-N 3.16Å; V196-P250 HydrophobicContact CG1-CG 4.23Å; V196-F251 HydrophobicContact CG1-CE2 3.92Å; V196-F251 HydrophobicContact CG1-CZ 4.04Å
197P79.5Confident86.4Confident4 Ų413.6 Ų13.63%0.0266%0.062CC..EExtended strand (participates in β ladder)trans-77.4130.4-165.829.3-33.1000111.2Q195 F251 F419 L452Q195-P197 VanDerWaalsContact O-CD 3.29Å; Q195-P197 WeakPolarHBondContact O-CD 3.4Å; P197-F251 VanDerWaalsContact O-CE2 3.26Å; P197-F251 WeakPolarHBondContact O-CE2 2.96Å; P197-F419 HydrophobicContact CG-CB 4.36Å; P197-F419 HydrophobicContact CG-CD1 3.61Å; P197-F419 HydrophobicContact CG-CD2 3.91Å; P197-F419 HydrophobicContact CG-CE1 3.83Å; P197-F419 HydrophobicContact CG-CE2 4.05Å; P197-F419 HydrophobicContact CG-CG 3.66Å; P197-F419 HydrophobicContact CG-CZ 4.02Å; P197-L452 HydrophobicContact CB-CB 4.05Å; P197-L452 HydrophobicContact CB-CD1 3.64Å; P197-L452 HydrophobicContact CB-CG 4.49Å
198N82.5Confident86.9Confident20 Ų2012.5 Ų12.511%0.1075%0.054CC..EExtended strand (participates in β ladder)trans-132.5128.3177.2-172.2-77.7000111.8R200 N201 F202 F251N198-R200 PolarHBondContact O-N 3.16Å; N198-R200 VanDerWaalsContact O-N 3.15Å; N198-R200 PolarHBondContact OD1-N 3.47Å; N198-N201 HydrophobicContact CB-CB 4.15Å; N198-N201 PolarHBondContact O-N 3.5Å; N198-N201 PolarHBondContact OD1-N 3.28Å; N198-F202 PolarHBondContact N-O 3.14Å; N198-F202 VanDerWaalsContact N-O 3.1Å; N198-F202 WeakPolarHBondContact O-CA 3.4Å; N198-F202 PolarHBondContact O-N 3.15Å; N198-F251 HydrophobicContact CB-CE1 4.34Å; N198-F251 HydrophobicContact CB-CE2 3.96Å; N198-F251 HydrophobicContact CB-CZ 3.78Å; N198-F251 WeakPolarHBondContact ND2-CD1 3.44Å; N198-F251 WeakPolarHBondContact ND2-CE1 3.49Å; N198-F251 WeakPolarHBondContact ND2-CG 3.05Å; N198-F251 WeakPolarHBondContact ND2-CZ 3.34Å
199I77.7Confident87.1Confident31 Ų3112.4 Ų12.416%0.1595%0.054CC..THydrogen-bonded Turntrans-51.4-41.7-178.3-65.4-179.4000112.5W120 F121 W432 L449W120-I199 PolarHBondContact NE1-O 3.47Å; F121-I199 HydrophobicContact CE2-CG2 4.39Å; F121-I199 WeakPolarHBondContact CE2-O 3.45Å; F121-I199 HydrophobicContact CZ-CB 4.28Å; F121-I199 HydrophobicContact CZ-CG2 3.85Å; I199-W432 HydrophobicContact CD1-CH2 3.74Å; I199-W432 HydrophobicContact CD1-CZ2 4.38Å; I199-L449 HydrophobicContact CD1-CD1 4Å; I199-L449 HydrophobicContact CG1-CD1 3.56Å
200R79.4Confident86.9Confident125 Ų12511.8 Ų11.847%0.4725%0.052SC..THydrogen-bonded Turntrans-95.7-34-173.9-52.7-173.9-162.2-136.20.6113.4S95 S98 W120 N198 Y733S95-R200 WeakPolarHBondContact CA-O 3.48Å; S95-R200 WeakPolarHBondContact CB-O 3.26Å; S98-R200 PolarHBondContact OG-O 3.02Å; W120-R200 WeakPolarHBondContact CZ2-O 3.47Å; N198-R200 PolarHBondContact O-N 3.16Å; N198-R200 VanDerWaalsContact O-N 3.15Å; N198-R200 PolarHBondContact OD1-N 3.47Å; R200-Y733 PolarHBondContact NH1-O 2.78Å; R200-Y733 PolarHBondContact NH2-O 3.44Å
201N81.9Confident86.3Confident13 Ų1312.9 Ų12.97%0.076%0.059CC..THydrogen-bonded Turntrans-105.26.7-169.5-60.6-9.4000113.5C92 P93 S95 S98 N198 L203C92-N201 HydrophobicContact CB-CB 3.84Å; C92-N201 VanDerWaalsContact CB-ND2 3.31Å; C92-N201 WeakPolarHBondContact CB-ND2 3.48Å; P93-N201 WeakPolarHBondContact O-CB 3.47Å; S95-N201 PolarHBondContact N-OD1 2.59Å; S98-N201 VanDerWaalsContact CB-O 3.31Å; S98-N201 WeakPolarHBondContact CB-O 3.43Å; N198-N201 HydrophobicContact CB-CB 4.15Å; N198-N201 PolarHBondContact O-N 3.5Å; N198-N201 PolarHBondContact OD1-N 3.28Å; N201-L203 VanDerWaalsContact C-N 3.32Å; N201-L203 PolarHBondContact O-N 2.87Å
202F79.3Confident85.4Confident5 Ų514.4 Ų14.42%0.0227%0.067CC..EExtended strand (participates in β ladder)trans63.6-78.1-173.8-177.4-135.3000113.5F102 W120 M126 L129 L170 N198 L452F102-F202 AromaticContact CD2-CD1 3.82Å; F102-F202 HydrophobicContact CD2-CD1 3.82Å; F102-F202 AromaticContact CD2-CE1 3.52Å; F102-F202 HydrophobicContact CD2-CE1 3.52Å; F102-F202 HydrophobicContact CD2-CE2 4.25Å; F102-F202 HydrophobicContact CD2-CG 4.32Å; F102-F202 AromaticContact CD2-CZ 3.76Å; F102-F202 HydrophobicContact CD2-CZ 3.76Å; F102-F202 HydrophobicContact CE2-CD1 4.45Å; F102-F202 AromaticContact CE2-CE1 3.85Å; F102-F202 HydrophobicContact CE2-CE1 3.85Å; F102-F202 AromaticContact CE2-CE2 3.95Å; F102-F202 HydrophobicContact CE2-CE2 3.95Å; F102-F202 AromaticContact CE2-CZ 3.57Å; F102-F202 HydrophobicContact CE2-CZ 3.57Å; W120-F202 HydrophobicContact CB-CD2 3.42Å; W120-F202 VanDerWaalsContact CB-CD2 3.42Å; W120-F202 HydrophobicContact CB-CE2 3.54Å; W120-F202 HydrophobicContact CB-CG 4.35Å; W120-F202 HydrophobicContact CD2-CB 3.69Å; W120-F202 AromaticContact CD2-CD2 3.73Å; W120-F202 HydrophobicContact CD2-CD2 3.73Å; W120-F202 AromaticContact CD2-CG 3.9Å; W120-F202 HydrophobicContact CD2-CG 3.9Å; W120-F202 HydrophobicContact CE3-CB 3.7Å; W120-F202 HydrophobicContact CE3-CD2 4.07Å; W120-F202 AromaticContact CE3-CG 3.87Å; W120-F202 HydrophobicContact CE3-CG 3.87Å; W120-F202 HydrophobicContact CG-CB 4.28Å; W120-F202 AromaticContact CG-CD2 3.44Å; W120-F202 HydrophobicContact CG-CD2 3.44Å; W120-F202 VanDerWaalsContact CG-CD2 3.44Å; W120-F202 HydrophobicContact CG-CE2 4.1Å; W120-F202 HydrophobicContact CG-CG 4.13Å; W120-F202 HydrophobicContact CH2-CB 4.09Å; W120-F202 HydrophobicContact CZ2-CB 4.06Å; W120-F202 HydrophobicContact CZ3-CB 3.89Å; W120-F202 HydrophobicContact CZ3-CG 4.46Å; M126-F202 HydrophobicContact CE-CE2 3.78Å; M126-F202 HydrophobicContact CE-CZ 4.06Å; M126-F202 HydrophobicContact SD-CE2 3.77Å; M126-F202 HydrophobicContact SD-CZ 4.11Å; L129-F202 HydrophobicContact CD2-CZ 4.14Å; L170-F202 HydrophobicContact CD1-CD1 4.18Å; L170-F202 HydrophobicContact CD1-CE1 3.99Å; L170-F202 HydrophobicContact CD2-CE1 4.5Å; N198-F202 PolarHBondContact N-O 3.14Å; N198-F202 VanDerWaalsContact N-O 3.1Å; N198-F202 WeakPolarHBondContact O-CA 3.4Å; N198-F202 PolarHBondContact O-N 3.15Å; F202-L452 HydrophobicContact CD2-CD2 3.78Å; F202-L452 HydrophobicContact CE2-CD2 3.76Å
203L83.4Confident84.2Confident13 Ų1318 Ų187%0.0689%0.087CC..EExtended strand (participates in β ladder)trans-133.3134.3-177.2-62.8172.4000110P93 I166 Q195 N201P93-L203 WeakPolarHBondContact CD-O 3.02Å; I166-L203 HydrophobicContact CB-CD1 4.45Å; I166-L203 HydrophobicContact CD1-CD1 4.36Å; I166-L203 HydrophobicContact CG2-CD1 3.68Å; Q195-L203 HydrophobicContact CB-CD2 4.17Å; N201-L203 VanDerWaalsContact C-N 3.32Å; N201-L203 PolarHBondContact O-N 2.87Å
204C91.6Very high83Confident1 Ų123.1 Ų23.11%0.00712%0.117CC..EExtended strand (participates in β ladder)trans-118.9164.2172.6-53.10000110.6T90 I91 C92 Y167 V196 F251T90-C204 HydrophobicContact CG2-CB 3.65Å; I91-C204 CarbonylContact O-C 3.51Å; I91-C204 WeakPolarHBondContact O-CA 3.41Å; I91-C204 WeakPolarHBondContact O-CB 3.17Å; C92-C204 HydrophobicContact CB-CB 4.04Å; C92-C204 WeakPolarHBondContact CB-SG 3.17Å; C92-C204 WeakPolarHBondContact SG-CB 3.39Å; C92-C204 CovalentContact SG-SG 2.03Å; C92-C204 PolarHBondContact SG-SG 3.16Å; Y167-C204 PolarHBondContact OH-O 3.12Å; V196-C204 HydrophobicContact CB-CB 4.37Å; V196-C204 PolarHBondContact N-O 3.45Å; V196-C204 PolarHBondContact O-N 3.16Å; C204-F251 HydrophobicContact CB-CZ 4.25Å
205T93.6Very high81.7Confident1 Ų131.1 Ų31.11%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-119125.2171.1-47.30000108.6T90 I91 W156 Y167 V192 M193 E194 F207T90-T205 WeakPolarHBondContact CA-O 3.45Å; I91-T205 PolarHBondContact N-O 2.89Å; I91-T205 PolarHBondContact O-N 3.3Å; W156-T205 HydrophobicContact CH2-CG2 4.48Å; W156-T205 HydrophobicContact CZ2-CG2 4.22Å; Y167-T205 WeakPolarHBondContact CE1-OG1 3.06Å; Y167-T205 VanDerWaalsContact CZ-OG1 3.25Å; Y167-T205 PolarHBondContact OH-OG1 2.88Å; V192-T205 HydrophobicContact CG1-CG2 3.54Å; M193-T205 WeakPolarHBondContact O-CA 3.4Å; E194-T205 HydrophobicContact CG-CG2 4.15Å; T205-F207 HydrophobicContact CG2-CD2 4.41Å; T205-F207 HydrophobicContact CG2-CE1 3.93Å; T205-F207 HydrophobicContact CG2-CE2 3.68Å; T205-F207 HydrophobicContact CG2-CZ 3.41Å; T205-F207 VanDerWaalsContact CG2-CZ 3.41Å
206T94.1Very high80.9Confident0 Ų035.9 Ų35.90%018%0.175CC..EExtended strand (participates in β ladder)trans-102.2132.9176-56.10000110.2I89 T90 M193I89-T206 WeakPolarHBondContact O-CA 3.38Å; T90-T206 WeakPolarHBondContact OG1-CB 3.34Å; T90-T206 VanDerWaalsContact OG1-CG2 3.32Å; T90-T206 WeakPolarHBondContact OG1-CG2 3.32Å; T90-T206 PolarHBondContact OG1-OG1 2.95Å; M193-T206 HydrophobicContact CE-CG2 3.62Å; M193-T206 PolarHBondContact N-O 2.67Å; M193-T206 PolarHBondContact O-N 2.67Å
207F94.9Very high80.1Confident0 Ų037.3 Ų37.30%019%0.185CC..EExtended strand (participates in β ladder)trans-116.3123.8-178.7-60.7-83.8000109.2I89 I91 W156 V175 F177 L190 V192 T205I89-F207 HydrophobicContact CB-CB 4.41Å; I89-F207 PolarHBondContact N-O 3.49Å; I89-F207 PolarHBondContact O-N 3.37Å; I91-F207 HydrophobicContact CB-CE2 4.28Å; I91-F207 HydrophobicContact CD1-CD2 4.07Å; I91-F207 HydrophobicContact CD1-CE2 3.75Å; I91-F207 HydrophobicContact CG1-CD2 4.14Å; I91-F207 HydrophobicContact CG1-CE2 3.99Å; W156-F207 HydrophobicContact CB-CE1 3.75Å; W156-F207 HydrophobicContact CB-CZ 4.43Å; W156-F207 AromaticContact CD2-CE1 3.98Å; W156-F207 HydrophobicContact CD2-CE1 3.98Å; W156-F207 HydrophobicContact CD2-CZ 4Å; W156-F207 HydrophobicContact CE3-CE1 4.27Å; W156-F207 AromaticContact CE3-CZ 3.87Å; W156-F207 HydrophobicContact CE3-CZ 3.87Å; W156-F207 AromaticContact CG-CE1 3.79Å; W156-F207 HydrophobicContact CG-CE1 3.79Å; W156-F207 HydrophobicContact CG-CZ 4.3Å; W156-F207 HydrophobicContact CZ3-CZ 4.43Å; V175-F207 HydrophobicContact CB-CZ 4.19Å; V175-F207 HydrophobicContact CG1-CE2 4.45Å; V175-F207 HydrophobicContact CG1-CZ 4.42Å; V175-F207 HydrophobicContact CG2-CE2 4.37Å; V175-F207 HydrophobicContact CG2-CZ 4.07Å; F177-F207 HydrophobicContact CE1-CB 4.28Å; F177-F207 HydrophobicContact CE2-CB 4.02Å; F177-F207 AromaticContact CE2-CD1 3.68Å; F177-F207 HydrophobicContact CE2-CD1 3.68Å; F177-F207 HydrophobicContact CE2-CD2 4.32Å; F177-F207 HydrophobicContact CE2-CE1 4.19Å; F177-F207 AromaticContact CE2-CG 3.75Å; F177-F207 HydrophobicContact CE2-CG 3.75Å; F177-F207 HydrophobicContact CZ-CB 3.5Å; F177-F207 VanDerWaalsContact CZ-CB 3.5Å; F177-F207 AromaticContact CZ-CD1 3.93Å; F177-F207 HydrophobicContact CZ-CD1 3.93Å; F177-F207 AromaticContact CZ-CD2 3.82Å; F177-F207 HydrophobicContact CZ-CD2 3.82Å; F177-F207 AromaticContact CZ-CG 3.47Å; F177-F207 HydrophobicContact CZ-CG 3.47Å; F177-F207 VanDerWaalsContact CZ-CG 3.47Å; L190-F207 HydrophobicContact CD1-CB 4.17Å; L190-F207 HydrophobicContact CD1-CD1 4.28Å; L190-F207 HydrophobicContact CD2-CD1 4.04Å; L190-F207 HydrophobicContact CG-CD1 4.38Å; V192-F207 HydrophobicContact CG1-CD1 4.02Å; V192-F207 HydrophobicContact CG1-CE1 3.76Å; V192-F207 HydrophobicContact CG1-CZ 4.49Å; V192-F207 HydrophobicContact CG2-CD1 4Å; V192-F207 HydrophobicContact CG2-CE1 4.13Å; T205-F207 HydrophobicContact CG2-CD2 4.41Å; T205-F207 HydrophobicContact CG2-CE1 3.93Å; T205-F207 HydrophobicContact CG2-CE2 3.68Å; T205-F207 HydrophobicContact CG2-CZ 3.41Å; T205-F207 VanDerWaalsContact CG2-CZ 3.41Å
208E92.3Very high80.3Confident1 Ų137.4 Ų37.41%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-119.1114.5175.8-64.4-177.5-179.600109T191 M193 R246 G247 R378T191-E208 PolarHBondContact N-O 2.66Å; T191-E208 PolarHBondContact O-N 2.9Å; M193-E208 HydrophobicContact CE-CG 4.48Å; M193-E208 WeakPolarHBondContact CE-OE1 3.4Å; E208-R246 HydrophobicContact CB-CG 4.25Å; E208-R246 HydrophobicContact CG-CG 4.04Å; E208-R246 IonicContact OE2-NE 3.22Å; E208-G247 WeakPolarHBondContact OE1-CA 3.34Å; E208-G247 PolarHBondContact OE1-N 2.85Å; E208-R378 IonicContact OE1-CZ 2.82Å; E208-R378 IonicContact OE1-NH1 3.97Å; E208-R378 PolarHBondContact OE1-NH1 3.2Å; E208-R378 IonicContact OE1-NH2 3.66Å; E208-R378 IonicContact OE2-NH1 2.7Å; E208-R378 PolarHBondContact OE2-NH1 3.26Å
209L89.6Confident80.3Confident5 Ų538.7 Ų38.73%0.02620%0.196CC..EExtended strand (participates in β ladder)trans-93.2130.8178.4-70.785.7000110.2V86 F177 I179 Y188 L190 L221V86-L209 HydrophobicContact CB-CB 4.46Å; V86-L209 HydrophobicContact CG1-CB 4.18Å; V86-L209 HydrophobicContact CG2-CB 4.47Å; F177-L209 HydrophobicContact CB-CD2 4.02Å; F177-L209 HydrophobicContact CD1-CD1 3.85Å; F177-L209 HydrophobicContact CD1-CD2 4.3Å; F177-L209 HydrophobicContact CE1-CD1 3.99Å; F177-L209 HydrophobicContact CG-CD1 4.3Å; F177-L209 HydrophobicContact CG-CD2 4.27Å; I179-L209 HydrophobicContact CD1-CD2 3.85Å; I179-L209 HydrophobicContact CG1-CD2 4.21Å; Y188-L209 HydrophobicContact CD1-CB 4.14Å; L190-L209 HydrophobicContact CD1-CD1 3.71Å; L190-L209 HydrophobicContact CD1-CD2 4.5Å; L190-L209 HydrophobicContact CD1-CG 3.67Å; L209-L221 HydrophobicContact CD2-CD1 4.18Å
210R83.6Confident80.9Confident20 Ų2039.1 Ų39.18%0.07520%0.196CC..EExtended strand (participates in β ladder)trans-128.5125.6-179.4-175.9169.772.386.1-20.3111.8Y188 R189 D303 Y370 D375Y188-R210 CarbonylContact C-O 3.51Å; Y188-R210 VanDerWaalsContact CA-O 3.3Å; Y188-R210 WeakPolarHBondContact CA-O 3.34Å; Y188-R210 VanDerWaalsContact CD1-C 3.42Å; R189-R210 PolarHBondContact N-O 3.12Å; R189-R210 PolarHBondContact O-N 3.44Å; R210-D303 IonicContact NH2-OD2 3.37Å; R210-Y370 PolarHBondContact NH1-O 2.81Å; R210-Y370 PolarHBondContact NH2-O 2.84Å; R210-D375 IonicContact NE-OD2 3.58Å
211S78.7Confident81.5Confident22 Ų2233.2 Ų33.215%0.15417%0.174CC..EExtended strand (participates in β ladder)trans-85.9155.9167.6-168.30000111.1S187 N213S187-S211 WeakPolarHBondContact O-CA 3.37Å; S211-N213 PolarHBondContact OG-N 2.82Å
212N69.9Low82Confident33 Ų3333 Ų3318%0.17617%0.172CC..SBendtrans-79.8-17.9162.7-154.228.8000112.5S187 Q368 W369S187-N212 PolarHBondContact O-N 3.1Å; N212-Q368 PolarHBondContact ND2-O 3.44Å; N212-W369 HydrophobicContact CB-CD2 4.31Å; N212-W369 HydrophobicContact CB-CE3 4.37Å; N212-W369 HydrophobicContact CB-CH2 4.18Å; N212-W369 HydrophobicContact CB-CZ2 4.1Å; N212-W369 HydrophobicContact CB-CZ3 4.31Å
213N68.1Low82.8Confident76 Ų7632.7 Ų32.741%0.40617%0.171SC..  trans-110.893.2-174.7-69.1-52.5000112S211 E215 K216S211-N213 PolarHBondContact OG-N 2.82Å; N213-E215 PolarHBondContact O-N 2.84Å; N213-K216 HydrophobicContact CB-CB 4.21Å; N213-K216 HydrophobicContact CB-CD 4.49Å; N213-K216 HydrophobicContact CB-CG 4.36Å; N213-K216 PolarHBondContact O-N 2.77Å; N213-K216 VanDerWaalsContact O-N 3.08Å
214V64.8Low83.3Confident108 Ų10835.7 Ų35.766%0.65518%0.181SC*.THydrogen-bonded Turntrans-59.2-28.3179.2-175.20000112.8K216V214-K216 VanDerWaalsContact C-N 3.29Å; V214-K216 PolarHBondContact O-N 3.41Å
215E62Low83.4Confident169 Ų16935.7 Ų35.779%0.7918%0.181SC*.THydrogen-bonded Turntrans-72.5-17.5178.7-59.4-173.2156.400114.3N213N213-E215 PolarHBondContact O-N 2.84Å
216K65.1Low83.3Confident106 Ų10637.7 Ų37.746%0.46119%0.192SC..SBendtrans-107.367-174.9-66.5-170.4-179.7-178.10111.5L184 N213 V214 W218L184-K216 HydrophobicContact CD2-CB 3.85Å; L184-K216 HydrophobicContact CD2-CD 3.89Å; L184-K216 HydrophobicContact CD2-CG 4.48Å; N213-K216 HydrophobicContact CB-CB 4.21Å; N213-K216 HydrophobicContact CB-CD 4.49Å; N213-K216 HydrophobicContact CB-CG 4.36Å; N213-K216 PolarHBondContact O-N 2.77Å; N213-K216 VanDerWaalsContact O-N 3.08Å; V214-K216 VanDerWaalsContact C-N 3.29Å; V214-K216 PolarHBondContact O-N 3.41Å; K216-W218 PolarHBondContact O-N 2.9Å
217S70.9Confident83.1Confident30 Ų3038.4 Ų38.421%0.2120%0.195CC..  trans-57.1130.1175.9-44.10000111.5R79 D84R79-S217 PolarHBondContact O-OG 3.43Å; R79-S217 VanDerWaalsContact O-OG 3.11Å; D84-S217 VanDerWaalsContact OD2-CB 3.29Å; D84-S217 WeakPolarHBondContact OD2-CB 3.4Å; D84-S217 PolarHBondContact OD2-OG 3.05Å
218W83.6Confident82.4Confident7 Ų743.4 Ų43.43%0.02722%0.218CC..  trans-49.2155.1163.667.9-68.9000111.7V86 I179 K216 L221 F272 R515V86-W218 HydrophobicContact CG2-CG 4.14Å; I179-W218 HydrophobicContact CG2-CB 3.87Å; K216-W218 PolarHBondContact O-N 2.9Å; W218-L221 HydrophobicContact CE3-CB 3.76Å; W218-L221 HydrophobicContact CZ3-CB 3.66Å; W218-F272 HydrophobicContact CH2-CE1 4.23Å; W218-F272 AromaticContact CH2-CZ 3.85Å; W218-F272 HydrophobicContact CH2-CZ 3.85Å; W218-F272 HydrophobicContact CZ2-CZ 4.39Å; W218-R515 HydrophobicContact CH2-CB 4.04Å; W218-R515 HydrophobicContact CH2-CG 4.41Å; W218-R515 HydrophobicContact CZ2-CB 4.41Å; W218-R515 PolarHBondContact O-NE 3.47Å; W218-R515 PolarHBondContact O-NH2 2.87Å
219S82.5Confident81.1Confident47 Ų4747.6 Ų47.633%0.32925%0.248SC..SBendtrans-115-34.4174.560.40000113.5Q180Q180-S219 PolarHBondContact O-N 2.88Å; Q180-S219 PolarHBondContact O-OG 2.75Å; Q180-S219 VanDerWaalsContact O-OG 3.1Å
220Y89Confident79.7Confident39 Ų3950.4 Ų50.415%0.15327%0.265CS..EExtended strand (participates in β ladder)trans-145.5139.5-176.6162.3-75.1000107.9Q180 E222 K512 V514Q180-Y220 HydrophobicContact CB-CD1 3.99Å; Q180-Y220 HydrophobicContact CB-CG 4.49Å; Q180-Y220 VanDerWaalsContact CD-CD1 3.45Å; Q180-Y220 HydrophobicContact CG-CD1 3.69Å; Q180-Y220 HydrophobicContact CG-CE1 4.2Å; Q180-Y220 PolarHBondContact N-O 2.81Å; Y220-E222 HydrophobicContact CD1-CB 4.41Å; Y220-E222 HydrophobicContact CE1-CB 3.54Å; Y220-E222 PolarHBondContact OH-OE2 2.56Å; Y220-K512 HydrophobicContact CE2-CB 3.86Å; Y220-K512 HydrophobicContact CE2-CD 4.31Å; Y220-K512 HydrophobicContact CE2-CG 4.28Å; Y220-K512 VanDerWaalsContact OH-CD 3.28Å; Y220-K512 WeakPolarHBondContact OH-CD 3.32Å; Y220-K512 VanDerWaalsContact OH-CG 3.29Å; Y220-K512 WeakPolarHBondContact OH-CG 3.44Å; Y220-V514 HydrophobicContact CD2-CG2 4.09Å; Y220-V514 HydrophobicContact CE2-CG2 4.45Å
221L92.3Very high78.3Confident2 Ų258.2 Ų58.21%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-128.7117.7179.6175.561.9000108.9V86 F177 I179 L209 W218 I223 L513V86-L221 HydrophobicContact CG1-CD2 3.93Å; F177-L221 HydrophobicContact CB-CD1 4.38Å; F177-L221 HydrophobicContact CD1-CD1 4.25Å; I179-L221 HydrophobicContact CG1-CD1 4.04Å; L209-L221 HydrophobicContact CD2-CD1 4.18Å; W218-L221 HydrophobicContact CE3-CB 3.76Å; W218-L221 HydrophobicContact CZ3-CB 3.66Å; L221-I223 HydrophobicContact CG-CG1 4.42Å; L221-L513 HydrophobicContact CB-CB 4.21Å; L221-L513 HydrophobicContact CD2-CD1 4.05Å; L221-L513 HydrophobicContact CG-CD1 4.35Å; L221-L513 PolarHBondContact N-O 3.27Å; L221-L513 VanDerWaalsContact N-O 3.11Å; L221-L513 WeakPolarHBondContact O-CB 3.49Å; L221-L513 PolarHBondContact O-N 3.03Å
222E93.6Very high77.3Confident7 Ų763.6 Ų63.63%0.03333%0.33CS..EExtended strand (participates in β ladder)trans-105.1128.3177.5169.6167.6158.900109.8F177 Q178 Y220 R224 R510 L511F177-E222 WeakPolarHBondContact CA-O 3.49Å; Q178-E222 HydrophobicContact CB-CB 4.22Å; Q178-E222 PolarHBondContact N-O 3.02Å; Q178-E222 PolarHBondContact O-N 2.88Å; Y220-E222 HydrophobicContact CD1-CB 4.41Å; Y220-E222 HydrophobicContact CE1-CB 3.54Å; Y220-E222 PolarHBondContact OH-OE2 2.56Å; E222-R224 HydrophobicContact CG-CG 4.29Å; E222-R224 IonicContact OE1-CZ 2.71Å; E222-R224 IonicContact OE1-NE 2.88Å; E222-R224 PolarHBondContact OE1-NE 3.2Å; E222-R224 IonicContact OE1-NH2 3.58Å; E222-R224 PolarHBondContact OE1-NH2 3.37Å; E222-R510 HydrophobicContact CG-CG 4.13Å; E222-R510 WeakPolarHBondContact OE1-CD 3.33Å; E222-R510 IonicContact OE1-CZ 3.62Å; E222-R510 IonicContact OE1-NE 2.67Å; E222-R510 IonicContact OE1-NH1 2.7Å; E222-R510 PolarHBondContact OE1-NH1 3.09Å; E222-R510 IonicContact OE2-NH1 3.14Å; E222-L511 WeakPolarHBondContact CA-O 3.33Å
223I94.8Very high76.5Confident0 Ų068.8 Ų68.80%036%0.357CS..EExtended strand (participates in β ladder)trans-115.5121.5-179.3-54.2162.7000106.7I89 I91 V175 E176 F177 L221 R510 L511 L513I89-I223 HydrophobicContact CD1-CD1 4.24Å; I89-I223 HydrophobicContact CG1-CD1 4.2Å; I89-I223 HydrophobicContact CG2-CD1 3.83Å; I91-I223 HydrophobicContact CD1-CG2 4.4Å; V175-I223 HydrophobicContact CG1-CG2 3.89Å; E176-I223 WeakPolarHBondContact O-CA 3.13Å; F177-I223 HydrophobicContact CD1-CG1 3.79Å; F177-I223 HydrophobicContact CD1-CG2 4.45Å; F177-I223 HydrophobicContact CE1-CD1 4.16Å; F177-I223 HydrophobicContact CE1-CG1 3.79Å; F177-I223 HydrophobicContact CE1-CG2 4.1Å; F177-I223 HydrophobicContact CZ-CG2 4.45Å; L221-I223 HydrophobicContact CG-CG1 4.42Å; I223-R510 CarbonylContact O-C 3.55Å; I223-R510 WeakPolarHBondContact O-CA 3.35Å; I223-L511 HydrophobicContact CB-CB 4.41Å; I223-L511 HydrophobicContact CD1-CD2 4.28Å; I223-L511 PolarHBondContact N-O 3.22Å; I223-L511 PolarHBondContact O-N 2.96Å; I223-L513 HydrophobicContact CD1-CD1 3.67Å; I223-L513 HydrophobicContact CD1-CG 4.31Å
224R94.3Very high76.1Confident76 Ų7667 Ų6729%0.28735%0.351SS..EExtended strand (participates in β ladder)trans-112.1124.4175-58.2175.4178.9-179.6-0.4109.4V175 E176 Q178 E222 S509V175-R224 CarbonylContact C-O 3.6Å; V175-R224 WeakPolarHBondContact CA-O 3.44Å; E176-R224 HydrophobicContact CB-CB 4.27Å; E176-R224 PolarHBondContact N-O 3Å; E176-R224 PolarHBondContact O-N 2.95Å; E176-R224 WeakPolarHBondContact OE2-CD 3.32Å; Q178-R224 VanDerWaalsContact NE2-CZ 3.33Å; Q178-R224 VanDerWaalsContact NE2-NH1 3.16Å; Q178-R224 VanDerWaalsContact OE1-CZ 3.31Å; E222-R224 HydrophobicContact CG-CG 4.29Å; E222-R224 IonicContact OE1-CZ 2.71Å; E222-R224 IonicContact OE1-NE 2.88Å; E222-R224 PolarHBondContact OE1-NE 3.2Å; E222-R224 IonicContact OE1-NH2 3.58Å; E222-R224 PolarHBondContact OE1-NH2 3.37Å; R224-S509 CarbonylContact C-O 3.59Å; R224-S509 WeakPolarHBondContact CA-O 3.37Å
225I93.8Very high76.1Confident0 Ų062.6 Ų62.60%032%0.323CS..EExtended strand (participates in β ladder)trans-104.2118.8171.9-54.5-175.5000107.6I91 F173 S174 Q227 F239 I241 L262 T508 S509I91-I225 HydrophobicContact CD1-CD1 4.06Å; I91-I225 HydrophobicContact CD1-CG1 4.47Å; I91-I225 HydrophobicContact CG2-CD1 3.93Å; F173-I225 HydrophobicContact CD2-CG2 4.05Å; S174-I225 CarbonylContact O-C 3.55Å; S174-I225 WeakPolarHBondContact O-CA 3.42Å; I225-Q227 HydrophobicContact CG2-CG 4.46Å; I225-F239 HydrophobicContact CD1-CB 4.21Å; I225-F239 HydrophobicContact CD1-CD2 4.15Å; I225-F239 HydrophobicContact CD1-CG 4.12Å; I225-F239 HydrophobicContact CG2-CD2 4.16Å; I225-F239 HydrophobicContact CG2-CE2 3.84Å; I225-F239 HydrophobicContact CG2-CZ 4.33Å; I225-I241 HydrophobicContact CD1-CD1 4.13Å; I225-L262 HydrophobicContact CD1-CD2 4.06Å; I225-L262 HydrophobicContact CG1-CD2 4.42Å; I225-T508 CarbonylContact O-C 3.56Å; I225-T508 VanDerWaalsContact O-CA 3.31Å; I225-T508 WeakPolarHBondContact O-CA 3.31Å; I225-S509 PolarHBondContact N-O 3.27Å; I225-S509 PolarHBondContact O-N 2.99Å
226N92.1Very high77.1Confident44 Ų4460.2 Ų60.224%0.23531%0.307CS..EExtended strand (participates in β ladder)trans-111.1120.3177.7-45.2-50.3000108.9F173 S174 T508F173-N226 CarbonylContact C-O 3.6Å; F173-N226 WeakPolarHBondContact CA-O 3.26Å; S174-N226 PolarHBondContact N-O 2.94Å; S174-N226 PolarHBondContact O-N 3.38Å; N226-T508 HydrophobicContact CB-CG2 4.12Å; N226-T508 WeakPolarHBondContact OD1-CB 3.44Å; N226-T508 WeakPolarHBondContact OD1-CG2 3.39Å
227Q89.1Confident78.1Confident14 Ų1455.1 Ų55.17%0.06529%0.285CS..EExtended strand (participates in β ladder)trans-99.3142.4-177.5-48.5-17821.500109.9I225 N235 V237 F239 L507I225-Q227 HydrophobicContact CG2-CG 4.46Å; Q227-N235 PolarHBondContact OE1-O 3.06Å; Q227-V237 PolarHBondContact NE2-O 3.25Å; Q227-F239 HydrophobicContact CG-CE2 4.3Å; Q227-L507 HydrophobicContact CB-CB 4.31Å; Q227-L507 HydrophobicContact CB-CD2 4.33Å; Q227-L507 PolarHBondContact N-O 2.96Å
228E81.2Confident79.1Confident105 Ų10555.1 Ų55.149%0.49128%0.284SS..  trans-83127.1-177.8-170.9167.2-141.700112.6N172 T230 N235N172-E228 HydrophobicContact CB-CB 3.96Å; N172-E228 WeakPolarHBondContact CB-OE2 3.49Å; N172-E228 PolarHBondContact ND2-OE2 2.85Å; N172-E228 PolarHBondContact O-N 2.85Å; N172-E228 VanDerWaalsContact O-N 3.15Å; E228-T230 PolarHBondContact O-N 2.7Å; E228-T230 VanDerWaalsContact O-N 3.11Å; E228-N235 PolarHBondContact O-ND2 3.06Å
229S64.7Low79.6Confident90 Ų9054.9 Ų54.963%0.62928%0.283SS*.  trans-73.596.2177.660.10000112L507S229-L507 VanDerWaalsContact CB-CD1 3.5Å
230T60Low80.1Confident63 Ų6353.8 Ų53.839%0.38727%0.273SS..  trans-69.5156.3154.348.70000110.1E228 E232 N235E228-T230 PolarHBondContact O-N 2.7Å; E228-T230 VanDerWaalsContact O-N 3.11Å; T230-E232 PolarHBondContact O-N 2.8Å; T230-E232 VanDerWaalsContact O-N 3.16Å; T230-E232 PolarHBondContact OG1-O 2.88Å; T230-N235 WeakPolarHBondContact CG2-ND2 3.36Å; T230-N235 WeakPolarHBondContact OG1-CB 3.49Å; T230-N235 PolarHBondContact OG1-ND2 2.96Å
231I53.6Low80.4Confident184 Ų18451.9 Ų51.994%0.94427%0.266SS*.SBendtrans-63.6-22.3-177.5-64171.2000112
232E57.7Low80.5Confident136 Ų13652 Ų5264%0.63627%0.266SS*.SBendtrans-86.9134168.8-62.8175.2-164.600111.4T230 S234T230-E232 PolarHBondContact O-N 2.8Å; T230-E232 VanDerWaalsContact O-N 3.16Å; T230-E232 PolarHBondContact OG1-O 2.88Å; E232-S234 WeakPolarHBondContact CB-OG 3.45Å; E232-S234 PolarHBondContact O-N 3.17Å; E232-S234 PolarHBondContact OE2-OG 2.86Å
233N53.2Low80.5Confident141 Ų14151.6 Ų51.675%0.75427%0.265SS*.G310 helixtrans-62.71.7173.1-83.1-18.4000114.4N235N233-N235 PolarHBondContact O-N 2.8Å
234S59.1Low80.4Confident40 Ų4051.6 Ų51.628%0.2827%0.265SS..G310 helixtrans-68-14.8-178.751.70000114.1R100 E232R100-S234 PolarHBondContact NH1-O 2.87Å; R100-S234 PolarHBondContact NH2-O 2.81Å; E232-S234 WeakPolarHBondContact CB-OG 3.45Å; E232-S234 PolarHBondContact O-N 3.17Å; E232-S234 PolarHBondContact OE2-OG 2.86Å
235N65.2Low80.2Confident14 Ų1449 Ų498%0.07526%0.256CS..G310 helixtrans-85.5-1-178-9318.8000115.8Q227 E228 T230 N233 V237Q227-N235 PolarHBondContact OE1-O 3.06Å; E228-N235 PolarHBondContact O-ND2 3.06Å; T230-N235 WeakPolarHBondContact CG2-ND2 3.36Å; T230-N235 WeakPolarHBondContact OG1-CB 3.49Å; T230-N235 PolarHBondContact OG1-ND2 2.96Å; N233-N235 PolarHBondContact O-N 2.8Å; N235-V237 PolarHBondContact O-N 3.28Å; N235-V237 VanDerWaalsContact O-N 3.12Å
236R82.3Confident80Confident119 Ų11949.9 Ų49.945%0.44926%0.259SS..  trans-65.1109.6174.2-89.4-177.8165153.6-3.6110.8R100 P264 D265 L507R100-R236 PolarHBondContact NH2-O 3.43Å; R236-P264 HydrophobicContact CB-CB 4.36Å; R236-P264 HydrophobicContact CB-CG 3.9Å; R236-P264 HydrophobicContact CG-CB 4.13Å; R236-P264 HydrophobicContact CG-CG 4.06Å; R236-D265 IonicContact CZ-OD2 2.85Å; R236-D265 VanDerWaalsContact CZ-OD2 3.26Å; R236-D265 IonicContact NE-OD2 3.76Å; R236-D265 PolarHBondContact NE-OD2 3.27Å; R236-D265 IonicContact NH2-OD2 3.99Å; R236-D265 PolarHBondContact NH2-OD2 2.99Å; R236-L507 HydrophobicContact CG-CD2 3.82Å
237V87.9Confident79.7Confident0 Ų047.8 Ų47.80%025%0.248CC..  trans-118.5130.3-175.51690000111.2P93 E97 L101 L171 Q227 N235 F239P93-V237 HydrophobicContact CB-CG1 4.33Å; E97-V237 HydrophobicContact CB-CG1 4.15Å; E97-V237 HydrophobicContact CG-CG1 4.45Å; L101-V237 HydrophobicContact CD1-CG1 4.21Å; L101-V237 HydrophobicContact CD1-CG2 3.87Å; L101-V237 HydrophobicContact CD2-CG2 3.9Å; L101-V237 HydrophobicContact CG-CG2 4.23Å; L171-V237 HydrophobicContact CD1-CG2 4.07Å; L171-V237 HydrophobicContact CD2-CB 3.95Å; L171-V237 HydrophobicContact CD2-CG1 3.97Å; L171-V237 HydrophobicContact CD2-CG2 3.88Å; Q227-V237 PolarHBondContact NE2-O 3.25Å; N235-V237 PolarHBondContact O-N 3.28Å; N235-V237 VanDerWaalsContact O-N 3.12Å; V237-F239 HydrophobicContact CB-CE2 4.29Å; V237-F239 HydrophobicContact CG1-CD2 4.24Å; V237-F239 HydrophobicContact CG1-CE1 4.43Å; V237-F239 HydrophobicContact CG1-CE2 3.92Å; V237-F239 HydrophobicContact CG1-CZ 4.05Å
238T91.8Very high79.6Confident30 Ų3048 Ų4818%0.18425%0.249CC..  trans-86127.2170.7-63.30000110.1Q94 P263 P264Q94-T238 PolarHBondContact N-O 2.81Å; Q94-T238 VanDerWaalsContact OE1-CG2 3.26Å; T238-P263 HydrophobicContact CG2-CG 4.43Å; T238-P264 WeakPolarHBondContact OG1-CD 3.4Å
239F93.4Very high79.9Confident1 Ų143 Ų430%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-101150.4176.1-70-87.9000111.2I91 C92 P93 L171 F173 I225 Q227 V237 L262I91-F239 HydrophobicContact CG2-CB 4.23Å; I91-F239 HydrophobicContact CG2-CD1 3.6Å; I91-F239 HydrophobicContact CG2-CE1 4.24Å; I91-F239 HydrophobicContact CG2-CG 4.14Å; C92-F239 CarbonylContact O-C 3.48Å; C92-F239 WeakPolarHBondContact O-CA 3.41Å; P93-F239 HydrophobicContact CG-CE1 4.31Å; L171-F239 HydrophobicContact CD2-CE1 4.42Å; L171-F239 HydrophobicContact CD2-CE2 4.34Å; L171-F239 HydrophobicContact CD2-CZ 3.63Å; F173-F239 HydrophobicContact CB-CZ 4.47Å; F173-F239 HydrophobicContact CD1-CZ 4.13Å; F173-F239 HydrophobicContact CD2-CE1 4.34Å; F173-F239 AromaticContact CD2-CZ 3.99Å; F173-F239 HydrophobicContact CD2-CZ 3.99Å; F173-F239 HydrophobicContact CE1-CE1 4.3Å; F173-F239 HydrophobicContact CE1-CZ 4.35Å; F173-F239 HydrophobicContact CE2-CE1 4.07Å; F173-F239 HydrophobicContact CE2-CZ 4.19Å; F173-F239 AromaticContact CG-CZ 3.95Å; F173-F239 HydrophobicContact CG-CZ 3.95Å; F173-F239 HydrophobicContact CZ-CE1 4.06Å; F173-F239 HydrophobicContact CZ-CZ 4.38Å; I225-F239 HydrophobicContact CD1-CB 4.21Å; I225-F239 HydrophobicContact CD1-CD2 4.15Å; I225-F239 HydrophobicContact CD1-CG 4.12Å; I225-F239 HydrophobicContact CG2-CD2 4.16Å; I225-F239 HydrophobicContact CG2-CE2 3.84Å; I225-F239 HydrophobicContact CG2-CZ 4.33Å; Q227-F239 HydrophobicContact CG-CE2 4.3Å; V237-F239 HydrophobicContact CB-CE2 4.29Å; V237-F239 HydrophobicContact CG1-CD2 4.24Å; V237-F239 HydrophobicContact CG1-CE1 4.43Å; V237-F239 HydrophobicContact CG1-CE2 3.92Å; V237-F239 HydrophobicContact CG1-CZ 4.05Å; F239-L262 PolarHBondContact N-O 2.79Å; F239-L262 PolarHBondContact O-N 2.79Å
240I93.7Very high81Confident24 Ų2438.8 Ų38.812%0.12320%0.196CC..EExtended strand (participates in β ladder)trans-106.1119.4165.2-54.8177.8000106.6C92 Q94 I242C92-I240 PolarHBondContact N-O 3.24Å; C92-I240 PolarHBondContact O-N 3.18Å; Q94-I240 HydrophobicContact CB-CD1 4.19Å; Q94-I240 HydrophobicContact CB-CG1 4.12Å; Q94-I240 HydrophobicContact CG-CD1 4.23Å; I240-I242 HydrophobicContact CG2-CG1 4.15Å
241I94.3Very high82.2Confident0 Ų037.2 Ų37.20%018%0.184CC..EExtended strand (participates in β ladder)trans-99.4127.2172.5-55.4179.9000108I89 T90 I91 I225 T260 L262 L511I89-I241 HydrophobicContact CG2-CG2 3.73Å; T90-I241 CarbonylContact O-C 3.1Å; T90-I241 WeakPolarHBondContact O-CA 3.09Å; I91-I241 HydrophobicContact CG1-CG1 4.29Å; I225-I241 HydrophobicContact CD1-CD1 4.13Å; I241-T260 PolarHBondContact N-O 2.7Å; I241-T260 PolarHBondContact O-N 2.84Å; I241-L262 HydrophobicContact CD1-CB 4.29Å; I241-L262 HydrophobicContact CD1-CD2 3.65Å; I241-L511 HydrophobicContact CB-CD2 4.05Å; I241-L511 HydrophobicContact CD1-CB 4.04Å; I241-L511 HydrophobicContact CD1-CD2 3.68Å; I241-L511 HydrophobicContact CG1-CD2 4.45Å; I241-L511 HydrophobicContact CG2-CD2 3.82Å
242I94.2Very high83.5Confident3 Ų329.3 Ų29.32%0.01515%0.145CC..EExtended strand (participates in β ladder)trans-114.3118.5-180-49.9174.1000107.9T90 I240 F251 H257 I258T90-I242 PolarHBondContact N-O 3.32Å; T90-I242 PolarHBondContact O-N 2.99Å; I240-I242 HydrophobicContact CG2-CG1 4.15Å; I242-F251 HydrophobicContact CD1-CD1 4Å; I242-F251 HydrophobicContact CD1-CE1 3.94Å; I242-H257 HydrophobicContact CG2-CB 3.79Å; I242-I258 WeakPolarHBondContact CA-O 3.06Å
243T93.9Very high84.3Confident0 Ų026.9 Ų26.90%015%0.148CC..EExtended strand (participates in β ladder)trans-96.9121.9174.772.30000110.1G88 I89 H257 I258 L513G88-T243 WeakPolarHBondContact O-CA 3.34Å; I89-T243 HydrophobicContact CD1-CG2 3.82Å; T243-H257 VanDerWaalsContact O-CA 3.22Å; T243-H257 WeakPolarHBondContact O-CA 3.43Å; T243-H257 WeakPolarHBondContact O-CB 3.42Å; T243-I258 PolarHBondContact N-O 2.91Å; T243-I258 PolarHBondContact O-N 2.79Å; T243-I258 VanDerWaalsContact O-N 3.16Å; T243-I258 WeakPolarHBondContact OG1-CB 3.38Å; T243-L513 HydrophobicContact CG2-CD1 4.47Å; T243-L513 HydrophobicContact CG2-CD2 4.18Å
244H93Very high85.6Confident0 Ų024 Ų240%013%0.127CC..EExtended strand (participates in β ladder)trans-139.3178-173.362.695.7000111.7P87 G88 T90 H257 F489P87-H244 CarbonylContact C-O 3.48Å; P87-H244 WeakPolarHBondContact CA-O 3.48Å; P87-H244 WeakPolarHBondContact CB-O 3.33Å; G88-H244 PolarHBondContact N-O 3.33Å; G88-H244 PolarHBondContact O-CD2 2.92Å; G88-H244 PolarHBondContact O-N 2.04Å; G88-H244 PolarHBondContact O-NE2 3Å; T90-H244 PolarHBondContact OG1-NE2 2.75Å; H244-H257 HydrophobicContact CB-CB 4.41Å; H244-F489 VanDerWaalsContact C-CE2 3.45Å
245E91Very high86.8Confident22 Ų2227.8 Ų27.810%0.10314%0.144CC..  trans-71138.5174.3-162.266.6-158.200110.4G247 E248 K274 T487 F489E245-G247 PolarHBondContact O-N 2.88Å; E245-E248 HydrophobicContact CB-CB 4.05Å; E245-E248 PolarHBondContact O-N 2.85Å; E245-E248 VanDerWaalsContact O-N 3.17Å; E245-K274 IonicContact OE1-NZ 3.62Å; E245-K274 PolarHBondContact OE1-NZ 2.85Å; E245-K274 WeakPolarHBondContact OE2-CE 3.41Å; E245-K274 IonicContact OE2-NZ 3.86Å; E245-K274 PolarHBondContact OE2-NZ 2.93Å; E245-T487 HydrophobicContact CG-CG2 4.35Å; E245-T487 VanDerWaalsContact OE2-CB 3.3Å; E245-T487 WeakPolarHBondContact OE2-CB 3.31Å; E245-T487 WeakPolarHBondContact OE2-CG2 3.45Å; E245-T487 PolarHBondContact OE2-OG1 2.88Å; E245-F489 HydrophobicContact CB-CE2 4.45Å; E245-F489 WeakPolarHBondContact OE2-CZ 3.49Å
246R88.5Confident87.9Confident18 Ų1827.6 Ų27.67%0.06814%0.142CC..THydrogen-bonded Turntrans-56.8134.3174.4173.1170.8165-100.2-2.4109.7E208 E248 D372 D375 L424E208-R246 HydrophobicContact CB-CG 4.25Å; E208-R246 HydrophobicContact CG-CG 4.04Å; E208-R246 IonicContact OE2-NE 3.22Å; R246-E248 PolarHBondContact O-N 3.47Å; R246-D372 IonicContact CZ-OD2 2.68Å; R246-D372 IonicContact NH1-OD2 3.17Å; R246-D372 PolarHBondContact NH1-OD2 2.94Å; R246-D372 IonicContact NH2-OD2 2.8Å; R246-D372 PolarHBondContact NH2-OD2 3.41Å; R246-D375 IonicContact CZ-OD2 2.62Å; R246-D375 IonicContact NH2-OD2 2.72Å; R246-D375 PolarHBondContact NH2-OD2 3.15Å; R246-L424 WeakPolarHBondContact O-CD1 3.47Å
247G85.5Confident88.4Confident0 Ų022.1 Ų22.10%012%0.122CC..THydrogen-bonded Turntrans79-14.2-17900000116.2E208 E245 F423 L424E208-G247 WeakPolarHBondContact OE1-CA 3.34Å; E208-G247 PolarHBondContact OE1-N 2.85Å; E245-G247 PolarHBondContact O-N 2.88Å; G247-F423 CarbonylContact O-C 3.51Å; G247-F423 WeakPolarHBondContact O-CA 3.28Å; G247-F423 WeakPolarHBondContact O-CB 3.39Å; G247-L424 PolarHBondContact O-N 2.95Å
248E87.5Confident88.6Confident17 Ų1722.6 Ų22.68%0.07912%0.124CC..SBendtrans-80.8154174.3-164.7175.3-160.500111.5E245 R246 R256 H257 S426E245-E248 HydrophobicContact CB-CB 4.05Å; E245-E248 PolarHBondContact O-N 2.85Å; E245-E248 VanDerWaalsContact O-N 3.17Å; R246-E248 PolarHBondContact O-N 3.47Å; E248-R256 IonicContact OE1-CZ 3.51Å; E248-R256 VanDerWaalsContact OE1-CZ 3.24Å; E248-R256 IonicContact OE1-NH1 2.95Å; E248-R256 PolarHBondContact OE1-NH1 3.05Å; E248-R256 IonicContact OE1-NH2 2.89Å; E248-R256 PolarHBondContact OE1-NH2 3.14Å; E248-R256 IonicContact OE2-CZ 3.31Å; E248-R256 IonicContact OE2-NH2 3.74Å; E248-R256 PolarHBondContact OE2-NH2 2.76Å; E248-H257 IonicContact OE2-NE2 3Å; E248-S426 WeakPolarHBondContact OE1-CB 3.47Å
249L88.2Confident88.6Confident2 Ų225.9 Ų25.91%0.0114%0.137CC..  trans-58.9121.3170.3-176.873.6000110.1F251 H257 L418 F419 F423 E428L249-F251 PolarHBondContact O-N 2.68Å; L249-H257 PolarHBondContact O-CE1 3.18Å; L249-L418 HydrophobicContact CD1-CD2 4.02Å; L249-L418 HydrophobicContact CD2-CD2 4.37Å; L249-F419 HydrophobicContact CD1-CE2 3.77Å; L249-F419 HydrophobicContact CD1-CZ 4.27Å; L249-F423 HydrophobicContact CD1-CZ 4.42Å; L249-E428 HydrophobicContact CD2-CB 4.39Å
250P86.6Confident88.6Confident0 Ų025.8 Ų25.80%014%0.137CC..SBendtrans-68.8-10-173.226.3-36.2000115T90 V196 H257T90-P250 HydrophobicContact CG2-CB 4.09Å; T90-P250 HydrophobicContact CG2-CG 4.18Å; T90-P250 WeakPolarHBondContact OG1-CB 3.25Å; V196-P250 HydrophobicContact CG1-CG 4.23Å; P250-H257 PolarHBondContact O-CE1 3.3Å; P250-H257 PolarHBondContact O-ND1 3.42Å
251F84.9Confident88.6Confident30 Ų3028.2 Ų28.213%0.13215%0.15CC..  trans-107.593.1-176.2-45.8-47.4000110.2T90 V196 P197 N198 C204 I242 L249T90-F251 HydrophobicContact CG2-CE1 4.14Å; T90-F251 HydrophobicContact CG2-CZ 4.36Å; V196-F251 HydrophobicContact CG1-CE2 3.92Å; V196-F251 HydrophobicContact CG1-CZ 4.04Å; P197-F251 VanDerWaalsContact O-CE2 3.26Å; P197-F251 WeakPolarHBondContact O-CE2 2.96Å; N198-F251 HydrophobicContact CB-CE1 4.34Å; N198-F251 HydrophobicContact CB-CE2 3.96Å; N198-F251 HydrophobicContact CB-CZ 3.78Å; N198-F251 WeakPolarHBondContact ND2-CD1 3.44Å; N198-F251 WeakPolarHBondContact ND2-CE1 3.49Å; N198-F251 WeakPolarHBondContact ND2-CG 3.05Å; N198-F251 WeakPolarHBondContact ND2-CZ 3.34Å; C204-F251 HydrophobicContact CB-CZ 4.25Å; I242-F251 HydrophobicContact CD1-CD1 4Å; I242-F251 HydrophobicContact CD1-CE1 3.94Å; L249-F251 PolarHBondContact O-N 2.68Å
252S82.5Confident88.6Confident18 Ų1828.2 Ų28.213%0.12615%0.15CC..  trans-100.2148.1169.3-1780000110.5Y254 R256 H257 E428S252-Y254 VanDerWaalsContact C-N 3.33Å; S252-Y254 PolarHBondContact OG-N 3.18Å; S252-Y254 PolarHBondContact OG-O 2.9Å; S252-R256 PolarHBondContact OG-NE 2.77Å; S252-H257 VanDerWaalsContact CB-CE1 3.49Å; S252-H257 WeakPolarHBondContact CB-CE1 3.21Å; S252-E428 WeakPolarHBondContact CB-OE1 3.28Å; S252-E428 PolarHBondContact OG-OE1 3.03Å
253A73.8Confident88.4Confident85 Ų8530.2 Ų30.270%0.70216%0.163SC*.SBendtrans-87.1-6168.600000112.5
254Y79.8Confident88.2Confident81 Ų8131.2 Ų31.232%0.31817%0.17SC..SBendtrans-101.1147.9179.2-55.9-89.5000110.2S252 R256 R427 E428 I739S252-Y254 VanDerWaalsContact C-N 3.33Å; S252-Y254 PolarHBondContact OG-N 3.18Å; S252-Y254 PolarHBondContact OG-O 2.9Å; Y254-R256 PolarHBondContact O-N 2.82Å; Y254-R427 PolarHBondContact OH-NH1 3.47Å; Y254-E428 HydrophobicContact CD2-CG 4.37Å; Y254-E428 WeakPolarHBondContact CD2-OE1 3.37Å; Y254-E428 HydrophobicContact CE2-CG 4.38Å; Y254-I739 HydrophobicContact CE1-CD1 4.44Å
255D84.4Confident88.1Confident119 Ų11933 Ų3364%0.63618%0.179SC*.THydrogen-bonded Turntrans-67.680.2171.5177.945000110.7K488D255-K488 VanDerWaalsContact O-CD 3.3Å; D255-K488 WeakPolarHBondContact O-CD 3.38Å; D255-K488 WeakPolarHBondContact O-CE 3.44Å; D255-K488 PolarHBondContact O-NZ 2.86Å; D255-K488 IonicContact OD2-NZ 2.98Å; D255-K488 PolarHBondContact OD2-NZ 3.01Å
256R89.3Confident88.2Confident10 Ų1033.2 Ų33.24%0.03818%0.182CC..THydrogen-bonded Turntrans-129-26.2176.2-56.1-179.5-47.7140.754.8112.3E248 S252 Y254 E428 F489E248-R256 IonicContact OE1-CZ 3.51Å; E248-R256 VanDerWaalsContact OE1-CZ 3.24Å; E248-R256 IonicContact OE1-NH1 2.95Å; E248-R256 PolarHBondContact OE1-NH1 3.05Å; E248-R256 IonicContact OE1-NH2 2.89Å; E248-R256 PolarHBondContact OE1-NH2 3.14Å; E248-R256 IonicContact OE2-CZ 3.31Å; E248-R256 IonicContact OE2-NH2 3.74Å; E248-R256 PolarHBondContact OE2-NH2 2.76Å; S252-R256 PolarHBondContact OG-NE 2.77Å; Y254-R256 PolarHBondContact O-N 2.82Å; R256-E428 IonicContact CZ-OE1 3.39Å; R256-E428 IonicContact CZ-OE2 2.67Å; R256-E428 IonicContact NE-OE1 3.18Å; R256-E428 PolarHBondContact NE-OE1 3.05Å; R256-E428 IonicContact NH1-OE1 3.36Å; R256-E428 PolarHBondContact NH1-OE1 3.1Å; R256-E428 IonicContact NH1-OE2 3.51Å; R256-E428 PolarHBondContact NH1-OE2 3.25Å; R256-E428 VanDerWaalsContact NH1-OE2 3.07Å; R256-E428 IonicContact NH2-OE1 2.68Å; R256-F489 PolarHBondContact O-N 3.15Å
257H91.8Very high88.4Confident5 Ų532.4 Ų32.42%0.02318%0.179CC..SBendtrans-107.2143.7179.9-53170.4000108.3I242 T243 H244 E248 L249 P250 S252I242-H257 HydrophobicContact CG2-CB 3.79Å; T243-H257 VanDerWaalsContact O-CA 3.22Å; T243-H257 WeakPolarHBondContact O-CA 3.43Å; T243-H257 WeakPolarHBondContact O-CB 3.42Å; H244-H257 HydrophobicContact CB-CB 4.41Å; E248-H257 IonicContact OE2-NE2 3Å; L249-H257 PolarHBondContact O-CE1 3.18Å; P250-H257 PolarHBondContact O-CE1 3.3Å; P250-H257 PolarHBondContact O-ND1 3.42Å; S252-H257 VanDerWaalsContact CB-CE1 3.49Å; S252-H257 WeakPolarHBondContact CB-CE1 3.21Å
258I92.3Very high88.9Confident10 Ų1032.4 Ų32.45%0.05118%0.179CC..EExtended strand (participates in β ladder)trans-90.6119.3174.8-52.5168.6000108.4I242 T243 L270 F272 F489 K491I242-I258 WeakPolarHBondContact CA-O 3.06Å; T243-I258 PolarHBondContact N-O 2.91Å; T243-I258 PolarHBondContact O-N 2.79Å; T243-I258 VanDerWaalsContact O-N 3.16Å; T243-I258 WeakPolarHBondContact OG1-CB 3.38Å; I258-L270 HydrophobicContact CB-CD2 4.42Å; I258-L270 HydrophobicContact CD1-CD2 4.18Å; I258-L270 HydrophobicContact CG2-CD1 4.19Å; I258-L270 HydrophobicContact CG2-CD2 3.96Å; I258-F272 HydrophobicContact CD1-CB 3.6Å; I258-F272 HydrophobicContact CD1-CD2 4.42Å; I258-F272 HydrophobicContact CD1-CG 4.1Å; I258-F489 HydrophobicContact CD1-CB 3.92Å; I258-F489 HydrophobicContact CG1-CB 3.85Å; I258-K491 HydrophobicContact CD1-CB 4.07Å; I258-K491 HydrophobicContact CG1-CB 4.36Å; I258-K491 HydrophobicContact CG2-CB 4.25Å; I258-K491 HydrophobicContact CG2-CD 4.12Å
259H92.5Very high89.2Confident98 Ų9832.2 Ų32.245%0.45418%0.18SC..EExtended strand (participates in β ladder)trans-94.2117.3173-68.8-112.6000109.1
260T93.5Very high89.5Confident0 Ų032.1 Ų32.10%018%0.18CC..EExtended strand (participates in β ladder)trans-119.3115.2-178.3-58.80000109.3I241 V268 L511I241-T260 PolarHBondContact N-O 2.7Å; I241-T260 PolarHBondContact O-N 2.84Å; T260-V268 HydrophobicContact CG2-CG1 4.09Å; T260-L511 HydrophobicContact CG2-CD1 4.01Å; T260-L511 HydrophobicContact CG2-CD2 4.38Å
261N93.5Very high89.9Confident75 Ų7536 Ų3640%0.40120%0.195SC..EExtended strand (participates in β ladder)trans-77.1125.3170.1-62.3-11.9000108.5
262L93.5Very high90.3Very high0 Ų034.8 Ų34.80%019%0.19CC..EExtended strand (participates in β ladder)trans-119.294.6177.4-175.767000109.1I225 F239 I241 T266 V268 R510 L511I225-L262 HydrophobicContact CD1-CD2 4.06Å; I225-L262 HydrophobicContact CG1-CD2 4.42Å; F239-L262 PolarHBondContact N-O 2.79Å; F239-L262 PolarHBondContact O-N 2.79Å; I241-L262 HydrophobicContact CD1-CB 4.29Å; I241-L262 HydrophobicContact CD1-CD2 3.65Å; L262-T266 WeakPolarHBondContact CD1-OG1 3.03Å; L262-V268 HydrophobicContact CD1-CB 4.19Å; L262-V268 HydrophobicContact CD1-CG2 3.59Å; L262-R510 WeakPolarHBondContact CD1-O 3.02Å; L262-L511 HydrophobicContact CD2-CB 4.45Å
263P91.5Very high90.7Very high44 Ų4434 Ų3429%0.28618%0.184SC..  trans-66.1156.5172.4-18.932.4000112.1T238 T266 S509T238-P263 HydrophobicContact CG2-CG 4.43Å; P263-T266 HydrophobicContact CB-CG2 3.95Å; P263-T266 HydrophobicContact CG-CG2 4.3Å; P263-T266 PolarHBondContact O-OG1 2.72Å; P263-S509 PolarHBondContact O-OG 3.11Å
264P89.5Confident91.6Very high22 Ų2230.7 Ų30.714%0.14315%0.154CC..THydrogen-bonded Turntrans-58.2151.7171.926.4-33.2000110.9R236 T238 T266 S509R236-P264 HydrophobicContact CB-CB 4.36Å; R236-P264 HydrophobicContact CB-CG 3.9Å; R236-P264 HydrophobicContact CG-CB 4.13Å; R236-P264 HydrophobicContact CG-CG 4.06Å; T238-P264 WeakPolarHBondContact OG1-CD 3.4Å; P264-T266 VanDerWaalsContact C-N 3.27Å; P264-T266 PolarHBondContact O-N 2.78Å; P264-S509 VanDerWaalsContact CA-OG 3.3Å; P264-S509 WeakPolarHBondContact CA-OG 3.42Å
265D90Very high92.1Very high36 Ų3627.6 Ų27.619%0.19314%0.144CC..THydrogen-bonded Turntrans58.131-179.7-54.7-49.9000114.5R236 G499 L507 T508 S509R236-D265 IonicContact CZ-OD2 2.85Å; R236-D265 VanDerWaalsContact CZ-OD2 3.26Å; R236-D265 IonicContact NE-OD2 3.76Å; R236-D265 PolarHBondContact NE-OD2 3.27Å; R236-D265 IonicContact NH2-OD2 3.99Å; R236-D265 PolarHBondContact NH2-OD2 2.99Å; D265-G499 WeakPolarHBondContact O-CA 3.43Å; D265-G499 PolarHBondContact O-N 2.52Å; D265-L507 WeakPolarHBondContact OD1-CA 3.34Å; D265-L507 PolarHBondContact OD1-N 3.17Å; D265-T508 WeakPolarHBondContact CA-O 3.21Å; D265-T508 PolarHBondContact N-O 3.43Å; D265-S509 PolarHBondContact N-OG 3.24Å
266T92.7Very high92.4Very high28 Ų2822 Ų2217%0.17211%0.114CC..EExtended strand (participates in β ladder)trans-124.6154.717768.40000114.4L262 P263 P264 S509 R510L262-T266 WeakPolarHBondContact CD1-OG1 3.03Å; P263-T266 HydrophobicContact CB-CG2 3.95Å; P263-T266 HydrophobicContact CG-CG2 4.3Å; P263-T266 PolarHBondContact O-OG1 2.72Å; P264-T266 VanDerWaalsContact C-N 3.27Å; P264-T266 PolarHBondContact O-N 2.78Å; T266-S509 CarbonylContact O-C 3.53Å; T266-S509 VanDerWaalsContact O-CA 3.26Å; T266-S509 WeakPolarHBondContact O-CA 3.5Å; T266-R510 PolarHBondContact O-N 2.91Å
267S94.3Very high92.5Very high0 Ų023 Ų230%012%0.121CC..EExtended strand (participates in β ladder)trans-124.7116.2174.2-163.80000109.8L497 D502 R510S267-L497 PolarHBondContact N-O 3.48Å; S267-L497 PolarHBondContact O-N 3.04Å; S267-D502 WeakPolarHBondContact CB-OD2 3.37Å; S267-D502 PolarHBondContact OG-OD2 3.47Å; S267-R510 CarbonylContact C-O 3.55Å; S267-R510 WeakPolarHBondContact CA-O 3.42Å; S267-R510 PolarHBondContact OG-NE 2.94Å
268V94.6Very high92.5Very high0 Ų024 Ų240%013%0.128CC..EExtended strand (participates in β ladder)trans-114.1131.8-174.7-1780000109.5T260 L262 E494 V495 R496 R510 L511 K512T260-V268 HydrophobicContact CG2-CG1 4.09Å; L262-V268 HydrophobicContact CD1-CB 4.19Å; L262-V268 HydrophobicContact CD1-CG2 3.59Å; V268-E494 HydrophobicContact CG1-CG 3.83Å; V268-V495 CarbonylContact C-O 3.56Å; V268-V495 WeakPolarHBondContact CA-O 3.5Å; V268-R496 HydrophobicContact CG1-CG 4.32Å; V268-R496 HydrophobicContact CG2-CG 4.09Å; V268-R510 PolarHBondContact N-O 3.34Å; V268-L511 HydrophobicContact CB-CD1 4.02Å; V268-L511 HydrophobicContact CG1-CD1 3.94Å; V268-L511 CarbonylContact O-C 3.59Å; V268-L511 WeakPolarHBondContact O-CA 3.35Å; V268-K512 PolarHBondContact O-N 2.61Å
269S94.5Very high92.4Very high14 Ų1426.5 Ų26.510%0.09814%0.136CC..EExtended strand (participates in β ladder)trans-115.4112.4176-49.90000110.2E494 V495S269-E494 WeakPolarHBondContact O-CA 3.43Å; S269-V495 PolarHBondContact N-O 3.14Å; S269-V495 PolarHBondContact O-N 2.85Å
270L94.4Very high92.1Very high0 Ų024.8 Ų24.80%013%0.13CC..EExtended strand (participates in β ladder)trans-105.6115.5-175.2-177.970.7000110.2I258 K491 E494 L511 K512 L513 V514I258-L270 HydrophobicContact CB-CD2 4.42Å; I258-L270 HydrophobicContact CD1-CD2 4.18Å; I258-L270 HydrophobicContact CG2-CD1 4.19Å; I258-L270 HydrophobicContact CG2-CD2 3.96Å; L270-K491 HydrophobicContact CD1-CB 4.48Å; L270-K491 HydrophobicContact CD1-CD 3.39Å; L270-K491 HydrophobicContact CD1-CG 3.61Å; L270-E494 HydrophobicContact CD1-CB 4.35Å; L270-E494 HydrophobicContact CD1-CG 4.43Å; L270-L511 HydrophobicContact CB-CD1 4.03Å; L270-K512 PolarHBondContact N-O 2.85Å; L270-L513 HydrophobicContact CB-CD2 4.13Å; L270-L513 HydrophobicContact CD2-CD2 3.66Å; L270-L513 HydrophobicContact CG-CD2 4.4Å; L270-V514 PolarHBondContact O-N 3.29Å
271Y94.5Very high91.8Very high80 Ų8029 Ų2931%0.31415%0.153SC..EExtended strand (participates in β ladder)trans-96.4124173.4-64.8-94.9000109.3H492 S493 V495 V514Y271-H492 PolarHBondContact O-N 3Å; Y271-S493 PolarHBondContact N-O 3.47Å; Y271-S493 PolarHBondContact O-N 3.18Å; Y271-V495 HydrophobicContact CE2-CG2 4.41Å; Y271-V514 WeakPolarHBondContact CA-O 3.49Å; Y271-V514 HydrophobicContact CD1-CB 3.7Å; Y271-V514 HydrophobicContact CD1-CG1 3.78Å; Y271-V514 HydrophobicContact CD1-CG2 4.2Å; Y271-V514 HydrophobicContact CE1-CB 3.89Å; Y271-V514 HydrophobicContact CE1-CG1 3.76Å; Y271-V514 HydrophobicContact CE1-CG2 3.96Å; Y271-V514 HydrophobicContact CG-CB 4.3Å
272F93.3Very high91.3Very high6 Ų626.5 Ų26.53%0.02614%0.141CC..EExtended strand (participates in β ladder)trans-146.3162.4-175.678.5-84.7000113.9W218 I258 F489 I490 L513 V514 R515 S516W218-F272 HydrophobicContact CH2-CE1 4.23Å; W218-F272 AromaticContact CH2-CZ 3.85Å; W218-F272 HydrophobicContact CH2-CZ 3.85Å; W218-F272 HydrophobicContact CZ2-CZ 4.39Å; I258-F272 HydrophobicContact CD1-CB 3.6Å; I258-F272 HydrophobicContact CD1-CD2 4.42Å; I258-F272 HydrophobicContact CD1-CG 4.1Å; F272-F489 AromaticContact CD2-CD1 3.89Å; F272-F489 HydrophobicContact CD2-CD1 3.89Å; F272-F489 AromaticContact CE2-CD1 3.58Å; F272-F489 HydrophobicContact CE2-CD1 3.58Å; F272-F489 HydrophobicContact CE2-CE1 4Å; F272-I490 CarbonylContact C-O 3.59Å; F272-I490 WeakPolarHBondContact CA-O 3.27Å; F272-I490 VanDerWaalsContact CB-O 3.29Å; F272-I490 WeakPolarHBondContact CB-O 3.31Å; F272-L513 HydrophobicContact CE1-CB 4.18Å; F272-L513 HydrophobicContact CE1-CD2 4.5Å; F272-V514 WeakPolarHBondContact CD1-O 3.33Å; F272-V514 PolarHBondContact N-O 2.87Å; F272-R515 HydrophobicContact CE1-CB 4.33Å; F272-R515 HydrophobicContact CZ-CB 4.2Å; F272-R515 CarbonylContact O-C 3.6Å; F272-R515 WeakPolarHBondContact O-CA 3.3Å; F272-S516 PolarHBondContact O-N 3.44Å
273S91.8Very high90.6Very high2 Ų231 Ų311%0.01419%0.186CC..EExtended strand (participates in β ladder)trans-121.7162.216673.10000111.9I490 H492S273-I490 PolarHBondContact N-O 3.31Å; S273-I490 PolarHBondContact O-N 3.09Å; S273-H492 VanDerWaalsContact CB-NE2 3.28Å; S273-H492 WeakPolarHBondContact CB-NE2 3.39Å; S273-H492 PolarHBondContact OG-NE2 3.38Å; S273-H492 VanDerWaalsContact OG-NE2 3.17Å
274K91.1Very high90.2Very high15 Ų1538.2 Ų38.27%0.06521%0.208CC..EExtended strand (participates in β ladder)trans-100.4133.9167.9-171173-175.6171.60109.4Y83 E245 V276 F489 V519 Q520Y83-K274 WeakPolarHBondContact O-CE 3.48Å; Y83-K274 PolarHBondContact O-NZ 2.78Å; E245-K274 IonicContact OE1-NZ 3.62Å; E245-K274 PolarHBondContact OE1-NZ 2.85Å; E245-K274 WeakPolarHBondContact OE2-CE 3.41Å; E245-K274 IonicContact OE2-NZ 3.86Å; E245-K274 PolarHBondContact OE2-NZ 2.93Å; K274-V276 HydrophobicContact CG-CG2 4.37Å; K274-F489 HydrophobicContact CB-CE1 4.45Å; K274-F489 HydrophobicContact CD-CE1 4.21Å; K274-F489 HydrophobicContact CD-CZ 4.24Å; K274-F489 HydrophobicContact CG-CE1 4.24Å; K274-F489 HydrophobicContact CG-CZ 4.45Å; K274-V519 HydrophobicContact CB-CG1 4.28Å; K274-V519 HydrophobicContact CB-CG2 4.46Å; K274-V519 HydrophobicContact CG-CG1 4.34Å; K274-V519 WeakPolarHBondContact O-CA 3.22Å; K274-Q520 PolarHBondContact O-N 2.76Å
275S91.4Very high89.9Confident16 Ų1640.9 Ų40.911%0.11222%0.221CC..EExtended strand (participates in β ladder)trans-114.5138.3168.6-175.30000108.8T487 K488 Q520S275-T487 CarbonylContact O-C 3.55Å; S275-T487 WeakPolarHBondContact O-CA 3.44Å; S275-K488 PolarHBondContact N-O 3.37Å; S275-K488 PolarHBondContact O-N 2.96Å; S275-Q520 CarbonylContact C-O 3.54Å; S275-Q520 WeakPolarHBondContact CA-O 3.45Å
276V91.1Very high89.7Confident0 Ų041.8 Ų41.80%023%0.229CC..EExtended strand (participates in β ladder)trans-125.6117.2178.6-176.50000107.1Y83 K274 T278 I485 T487 V519 Q520 V521 A522Y83-V276 HydrophobicContact CD1-CG1 4.24Å; Y83-V276 HydrophobicContact CD1-CG2 4.41Å; Y83-V276 HydrophobicContact CD2-CG1 4.49Å; Y83-V276 HydrophobicContact CD2-CG2 4.47Å; Y83-V276 HydrophobicContact CE1-CG1 4.28Å; Y83-V276 HydrophobicContact CG-CG1 4.37Å; Y83-V276 HydrophobicContact CG-CG2 4.04Å; K274-V276 HydrophobicContact CG-CG2 4.37Å; V276-T278 HydrophobicContact CG1-CG2 4.42Å; V276-I485 HydrophobicContact CG1-CG2 3.98Å; V276-T487 HydrophobicContact CG1-CG2 4.46Å; V276-T487 HydrophobicContact CG2-CG2 4.12Å; V276-V519 HydrophobicContact CG2-CG1 3.72Å; V276-Q520 PolarHBondContact N-O 3.42Å; V276-V521 CarbonylContact O-C 3.57Å; V276-V521 WeakPolarHBondContact O-CA 3.5Å; V276-A522 PolarHBondContact O-N 2.96Å
277T91Very high89.6Confident32 Ų3240.9 Ų40.920%0.19622%0.223CC..EExtended strand (participates in β ladder)trans-99.7121.8173.2-54.50000109F72 R279 I485 Q486 A522F72-T277 HydrophobicContact CD1-CG2 4.34Å; F72-T277 HydrophobicContact CE1-CG2 3.79Å; T277-R279 HydrophobicContact CG2-CG 4.22Å; T277-I485 WeakPolarHBondContact O-CA 3.34Å; T277-Q486 PolarHBondContact N-O 2.84Å; T277-Q486 PolarHBondContact O-N 3.16Å; T277-A522 CarbonylContact C-O 3.37Å; T277-A522 WeakPolarHBondContact CA-O 3.33Å; T277-A522 HydrophobicContact CG2-CB 4.4Å
278T90.7Very high89.2Confident25 Ų2541 Ų4115%0.15322%0.224CC..EExtended strand (participates in β ladder)trans-103.2130.3167.973.20000108.8V276 C484 I485 A522 M523 E524V276-T278 HydrophobicContact CG1-CG2 4.42Å; T278-C484 CarbonylContact C-O 3.55Å; T278-C484 VanDerWaalsContact CA-O 3.3Å; T278-C484 WeakPolarHBondContact CA-O 3.42Å; T278-I485 HydrophobicContact CG2-CD1 4.39Å; T278-I485 HydrophobicContact CG2-CG1 4.01Å; T278-I485 HydrophobicContact CG2-CG2 4.48Å; T278-A522 PolarHBondContact N-O 2.89Å; T278-M523 WeakPolarHBondContact OG1-CA 3.48Å; T278-M523 WeakPolarHBondContact OG1-CG 3.32Å; T278-E524 WeakPolarHBondContact O-CB 3.29Å; T278-E524 PolarHBondContact O-N 2.8Å
279R90.2Very high88.7Confident63 Ų6345.4 Ų45.424%0.23825%0.25CS..  trans-113.1147.9-178.7-66.3-167.7-173.295.72.7110.5F72 T277 P483 C484 E524F72-R279 HydrophobicContact CE1-CG 4.39Å; F72-R279 HydrophobicContact CZ-CG 4.5Å; T277-R279 HydrophobicContact CG2-CG 4.22Å; R279-P483 PolarHBondContact NH1-O 2.72Å; R279-C484 PolarHBondContact N-O 2.78Å; R279-E524 VanDerWaalsContact CA-OE2 3.31Å; R279-E524 WeakPolarHBondContact CA-OE2 3.38Å; R279-E524 WeakPolarHBondContact CB-OE2 3.46Å
280L86.8Confident87.8Confident63 Ų6345.9 Ų45.933%0.3326%0.258SS..  trans-85.9123.8177.9-172.865.1000109.6T70 T282 E524 E526T70-L280 HydrophobicContact CG2-CD2 4.23Å; L280-T282 HydrophobicContact CB-CG2 4.2Å; L280-T282 HydrophobicContact CD2-CG2 3.82Å; L280-T282 HydrophobicContact CG-CG2 3.81Å; L280-T282 PolarHBondContact O-N 2.87Å; L280-E524 HydrophobicContact CB-CB 4.44Å; L280-E524 HydrophobicContact CB-CG 4.28Å; L280-E524 PolarHBondContact N-OE2 3.3Å; L280-E526 HydrophobicContact CD2-CG 3.51Å
281N87.1Confident86.8Confident88 Ų8846.4 Ų46.447%0.47126%0.262SS..  trans-73.298.6177.5-164.38.6000109.9P286 C287N281-P286 WeakPolarHBondContact OD1-CA 3.35Å; N281-C287 VanDerWaalsContact CA-SG 3.51Å; N281-C287 VanDerWaalsContact CB-SG 3.56Å; N281-C287 PolarHBondContact ND2-O 2.94Å; N281-C287 PolarHBondContact OD1-N 2.83Å; N281-C287 PolarHBondContact OD1-O 2.94Å
282T82.6Confident85.6Confident23 Ų2344 Ų4414%0.14126%0.255CS..  trans-114.9153-176.763.30000110.9L280 R284 N285 P286L280-T282 HydrophobicContact CB-CG2 4.2Å; L280-T282 HydrophobicContact CD2-CG2 3.82Å; L280-T282 HydrophobicContact CG-CG2 3.81Å; L280-T282 PolarHBondContact O-N 2.87Å; T282-R284 PolarHBondContact O-N 2.75Å; T282-N285 PolarHBondContact N-O 3.47Å; T282-N285 CarbonylContact O-C 3.48Å; T282-N285 PolarHBondContact O-N 3.07Å; T282-N285 PolarHBondContact OG1-N 2.81Å; T282-N285 PolarHBondContact OG1-O 3.13Å; T282-P286 WeakPolarHBondContact O-CA 3Å; T282-P286 VanDerWaalsContact O-N 3.14Å
283G80.5Confident84.2Confident93 Ų9344.1 Ų44.196%0.95926%0.257SS*.SBendtrans-63.3-10.5174.300000114.6
284R81.2Confident83.1Confident197 Ų19750.6 Ų50.674%0.74329%0.285SS*.SBendtrans-91.1-46.3173-175.7-173.7178116.58.3111.9T282T282-R284 PolarHBondContact O-N 2.75Å
285N84.1Confident82.1Confident77 Ų7753.4 Ų53.441%0.41230%0.298SS..SBendtrans-122.682.1-179.8-62.6-13000108T282T282-N285 PolarHBondContact N-O 3.47Å; T282-N285 CarbonylContact O-C 3.48Å; T282-N285 PolarHBondContact O-N 3.07Å; T282-N285 PolarHBondContact OG1-N 2.81Å; T282-N285 PolarHBondContact OG1-O 3.13Å
286P86.7Confident81Confident56 Ų5653.1 Ų53.136%0.36429%0.294SS..  trans-69.8142.1179.327.8-34.2000110.7N281 T282 Y477N281-P286 WeakPolarHBondContact OD1-CA 3.35Å; T282-P286 WeakPolarHBondContact O-CA 3Å; T282-P286 VanDerWaalsContact O-N 3.14Å; P286-Y477 HydrophobicContact CG-CE1 4.38Å; P286-Y477 WeakPolarHBondContact O-CE1 3.41Å; P286-Y477 PolarHBondContact O-OH 3.11Å; P286-Y477 VanDerWaalsContact O-OH 3.07Å
287C89.8Confident79.6Confident8 Ų855 Ų555%0.05431%0.311CS..  trans-131.8154174.864.20000111.5N281 V289 L482 C484N281-C287 VanDerWaalsContact CA-SG 3.51Å; N281-C287 VanDerWaalsContact CB-SG 3.56Å; N281-C287 PolarHBondContact ND2-O 2.94Å; N281-C287 PolarHBondContact OD1-N 2.83Å; N281-C287 PolarHBondContact OD1-O 2.94Å; C287-V289 PolarHBondContact O-N 2.94Å; C287-L482 CarbonylContact C-O 3.59Å; C287-L482 VanDerWaalsContact CA-O 3.26Å; C287-L482 WeakPolarHBondContact CA-O 3.29Å; C287-L482 VanDerWaalsContact CB-O 3.3Å; C287-L482 WeakPolarHBondContact CB-O 3.49Å; C287-C484 HydrophobicContact CB-CB 3.97Å; C287-C484 WeakPolarHBondContact CB-SG 3.42Å; C287-C484 PolarHBondContact O-SG 3.32Å; C287-C484 WeakPolarHBondContact SG-CA 3.37Å; C287-C484 WeakPolarHBondContact SG-CB 3.32Å; C287-C484 CovalentContact SG-SG 2.04Å; C287-C484 PolarHBondContact SG-SG 3.17Å
288H86.7Confident78.2Confident4 Ų458.1 Ų58.12%0.01933%0.333CS..BIsolated β-bridgetrans-79.1119178.8-171.8-75.2000111.2G290 L410 T413 Y425 P481 L482 P483 C484H288-G290 PolarHBondContact ND1-N 2.98Å; H288-G290 PolarHBondContact O-N 3.26Å; H288-G290 VanDerWaalsContact O-N 3.12Å; H288-L410 PolarHBondContact NE2-O 2.72Å; H288-T413 PolarHBondContact CE1-O 2.79Å; H288-Y425 HydrophobicContact CB-CD1 3.72Å; H288-Y425 HydrophobicContact CB-CE1 3.35Å; H288-Y425 HydrophobicContact CB-CG 4.45Å; H288-Y425 AromaticContact CD2-CD2 3.66Å; H288-Y425 AromaticContact CD2-CE1 3.89Å; H288-Y425 AromaticContact CD2-CE2 3.43Å; H288-Y425 VanDerWaalsContact CD2-CE2 3.43Å; H288-Y425 WeakPolarHBondContact CD2-CE2 3.33Å; H288-Y425 AromaticContact CD2-CG 3.97Å; H288-Y425 AromaticContact CD2-CZ 3.56Å; H288-Y425 AromaticContact CE1-CD2 3.73Å; H288-Y425 AromaticContact CE1-CG 3.65Å; H288-Y425 AromaticContact CG-CD1 3.47Å; H288-Y425 VanDerWaalsContact CG-CD1 3.47Å; H288-Y425 AromaticContact CG-CD2 3.9Å; H288-Y425 AromaticContact CG-CE1 3.45Å; H288-Y425 VanDerWaalsContact CG-CE1 3.45Å; H288-Y425 AromaticContact CG-CE2 3.86Å; H288-Y425 AromaticContact CG-CG 3.72Å; H288-Y425 AromaticContact CG-CZ 3.64Å; H288-Y425 AromaticContact ND1-CD1 3.54Å; H288-Y425 AromaticContact ND1-CD2 3.93Å; H288-Y425 AromaticContact ND1-CG 3.5Å; H288-Y425 AromaticContact NE2-CD2 3.58Å; H288-Y425 AromaticContact NE2-CE2 3.79Å; H288-Y425 AromaticContact NE2-CG 3.96Å; H288-P481 HydrophobicContact CB-CG 4.37Å; H288-L482 PolarHBondContact N-O 2.97Å; H288-P483 WeakPolarHBondContact O-CA 3.4Å; H288-C484 VanDerWaalsContact C-SG 3.53Å; H288-C484 PolarHBondContact O-N 3.22Å; H288-C484 PolarHBondContact O-SG 3.4Å
289V84.1Confident76.7Confident91 Ų9158.1 Ų58.155%0.55234%0.336SS*.  trans-82.785.7172.7-175.20000108.4C287C287-V289 PolarHBondContact O-N 2.94Å
290G74.7Confident75.2Confident25 Ų2558.2 Ų58.226%0.25834%0.341SS..  trans-93.9-179.9176.700000113.5H288 D292 N414H288-G290 PolarHBondContact ND1-N 2.98Å; H288-G290 PolarHBondContact O-N 3.26Å; H288-G290 VanDerWaalsContact O-N 3.12Å; G290-D292 PolarHBondContact O-N 2.84Å; G290-D292 VanDerWaalsContact O-N 3.16Å; G290-N414 WeakPolarHBondContact CA-OD1 3.42Å
291A72.8Confident73.6Confident11 Ų1158.5 Ų58.59%0.09135%0.345CS..  trans-68.7108170.700000110.5F295 Y373 N414 L424A291-F295 HydrophobicContact CB-CB 4.38Å; A291-F295 HydrophobicContact CB-CD1 3.41Å; A291-F295 VanDerWaalsContact CB-CD1 3.41Å; A291-F295 HydrophobicContact CB-CE1 3.95Å; A291-F295 HydrophobicContact CB-CG 4.07Å; A291-Y373 HydrophobicContact CB-CE1 4.49Å; A291-N414 HydrophobicContact CB-CB 3.74Å; A291-N414 PolarHBondContact N-OD1 2.93Å; A291-N414 VanDerWaalsContact N-OD1 3.14Å; A291-L424 HydrophobicContact CB-CD2 4.23Å
292D69.3Low71.8Confident28 Ų2856.8 Ų56.815%0.1534%0.335CS..  trans-89.9176.1171.686.9-50.6000111.5Y83 G290 K294 F295 I296 I485Y83-D292 PolarHBondContact OH-OD2 3.48Å; G290-D292 PolarHBondContact O-N 2.84Å; G290-D292 VanDerWaalsContact O-N 3.16Å; D292-K294 VanDerWaalsContact CG-N 3.32Å; D292-K294 PolarHBondContact O-N 2.88Å; D292-K294 VanDerWaalsContact O-N 3.1Å; D292-K294 WeakPolarHBondContact OD1-CB 3.18Å; D292-K294 PolarHBondContact OD1-N 3Å; D292-K294 WeakPolarHBondContact OD2-CB 3.43Å; D292-K294 PolarHBondContact OD2-N 3.33Å; D292-K294 VanDerWaalsContact OD2-N 3.13Å; D292-F295 PolarHBondContact O-N 3.11Å; D292-F295 VanDerWaalsContact O-N 3.14Å; D292-F295 PolarHBondContact OD1-N 2.88Å; D292-I296 WeakPolarHBondContact O-CB 3.44Å; D292-I296 PolarHBondContact O-N 2.87Å; D292-I485 HydrophobicContact CB-CB 4.2Å; D292-I485 HydrophobicContact CB-CD1 3.62Å; D292-I485 HydrophobicContact CB-CG1 4.43Å; D292-I485 HydrophobicContact CB-CG2 4.2Å
293A65.4Low70.3Confident10 Ų1057.6 Ų57.68%0.08334%0.338CS..Hα-helixtrans-55.6-28.217700000113.5V82 Y83 A297V82-A293 HydrophobicContact CG1-CB 3.91Å; V82-A293 WeakPolarHBondContact CG1-O 3.24Å; Y83-A293 HydrophobicContact CD1-CB 3.72Å; Y83-A293 HydrophobicContact CE1-CB 4.02Å; A293-A297 VanDerWaalsContact O-CB 3.3Å; A293-A297 WeakPolarHBondContact O-CB 3.13Å; A293-A297 PolarHBondContact O-N 2.98Å
294K68Low68.8Low137 Ų13759 Ų5960%0.59633%0.329SS*.Hα-helixtrans-76.8-43.2176.9-168.8-176.9177.5-176.10112.3V82 D292 A297 S298V82-K294 HydrophobicContact CG1-CB 4.04Å; D292-K294 VanDerWaalsContact CG-N 3.32Å; D292-K294 PolarHBondContact O-N 2.88Å; D292-K294 VanDerWaalsContact O-N 3.1Å; D292-K294 WeakPolarHBondContact OD1-CB 3.18Å; D292-K294 PolarHBondContact OD1-N 3Å; D292-K294 WeakPolarHBondContact OD2-CB 3.43Å; D292-K294 PolarHBondContact OD2-N 3.33Å; D292-K294 VanDerWaalsContact OD2-N 3.13Å; K294-A297 PolarHBondContact O-N 3.02Å; K294-S298 WeakPolarHBondContact O-CB 3.43Å; K294-S298 PolarHBondContact O-N 3.12Å; K294-S298 PolarHBondContact O-OG 3.01Å
295F71Confident67.3Low75 Ų7557.5 Ų57.533%0.32933%0.33SS..Hα-helixtrans-57.5-51.3169179.6-87.5000110.6A291 D292 A297 S298 A299 Y373 N414A291-F295 HydrophobicContact CB-CB 4.38Å; A291-F295 HydrophobicContact CB-CD1 3.41Å; A291-F295 VanDerWaalsContact CB-CD1 3.41Å; A291-F295 HydrophobicContact CB-CE1 3.95Å; A291-F295 HydrophobicContact CB-CG 4.07Å; D292-F295 PolarHBondContact O-N 3.11Å; D292-F295 VanDerWaalsContact O-N 3.14Å; D292-F295 PolarHBondContact OD1-N 2.88Å; F295-A297 PolarHBondContact O-N 3.41Å; F295-S298 WeakPolarHBondContact CA-OG 3.31Å; F295-S298 CarbonylContact O-C 3.58Å; F295-S298 WeakPolarHBondContact O-CA 3.36Å; F295-S298 PolarHBondContact O-N 2.81Å; F295-S298 PolarHBondContact O-OG 2.99Å; F295-A299 HydrophobicContact CD1-CB 4.46Å; F295-A299 HydrophobicContact CE1-CB 4.18Å; F295-A299 WeakPolarHBondContact O-CB 3.27Å; F295-A299 PolarHBondContact O-N 3.17Å; F295-Y373 AromaticContact CE1-CD1 3.83Å; F295-Y373 HydrophobicContact CE1-CD1 3.83Å; F295-Y373 HydrophobicContact CE1-CD2 4.2Å; F295-Y373 HydrophobicContact CE1-CE1 4.06Å; F295-Y373 HydrophobicContact CE1-CE2 4.41Å; F295-Y373 AromaticContact CE1-CG 3.9Å; F295-Y373 HydrophobicContact CE1-CG 3.9Å; F295-N414 VanDerWaalsContact CZ-ND2 3.34Å; F295-N414 WeakPolarHBondContact CZ-ND2 3.46Å
296I67.7Low65.2Low9 Ų958.8 Ų58.85%0.04633%0.334CS..Hα-helixtrans-51-53.4175.6-86.4155.6000111.6D292 S298 A299 D372 L424D292-I296 WeakPolarHBondContact O-CB 3.44Å; D292-I296 PolarHBondContact O-N 2.87Å; I296-S298 VanDerWaalsContact C-N 3.27Å; I296-S298 PolarHBondContact O-N 3.48Å; I296-A299 PolarHBondContact O-N 3.11Å; I296-A299 VanDerWaalsContact O-N 3.17Å; I296-D372 WeakPolarHBondContact CG2-OD1 3.22Å; I296-D372 WeakPolarHBondContact CG2-OD2 3.28Å; I296-L424 HydrophobicContact CD1-CD1 3.78Å; I296-L424 HydrophobicContact CD1-CD2 4.07Å
297A62.2Low63Low41 Ų4163.7 Ų63.734%0.33935%0.352SS..Hα-helixtrans-65.9-26.4178.300000113.6V82 A293 K294 F295 L300V82-A297 HydrophobicContact CG1-CB 4.35Å; A293-A297 VanDerWaalsContact O-CB 3.3Å; A293-A297 WeakPolarHBondContact O-CB 3.13Å; A293-A297 PolarHBondContact O-N 2.98Å; K294-A297 PolarHBondContact O-N 3.02Å; F295-A297 PolarHBondContact O-N 3.41Å; A297-L300 WeakPolarHBondContact O-CD1 3.32Å; A297-L300 WeakPolarHBondContact O-CG 3.36Å
298S61.9Low60.3Low96 Ų9675 Ų7567%0.67139%0.393SS*.Hα-helixtrans-82.7-18175.474.80000114.3K294 F295 I296K294-S298 WeakPolarHBondContact O-CB 3.43Å; K294-S298 PolarHBondContact O-N 3.12Å; K294-S298 PolarHBondContact O-OG 3.01Å; F295-S298 WeakPolarHBondContact CA-OG 3.31Å; F295-S298 CarbonylContact O-C 3.58Å; F295-S298 WeakPolarHBondContact O-CA 3.36Å; F295-S298 PolarHBondContact O-N 2.81Å; F295-S298 PolarHBondContact O-OG 2.99Å; I296-S298 VanDerWaalsContact C-N 3.27Å; I296-S298 PolarHBondContact O-N 3.48Å
299A58.6Low57.8Low26 Ų2678.3 Ų78.322%0.21543%0.428CS..SBendtrans-10116.2-175.200000113.4F295 I296 T301F295-A299 HydrophobicContact CD1-CB 4.46Å; F295-A299 HydrophobicContact CE1-CB 4.18Å; F295-A299 WeakPolarHBondContact O-CB 3.27Å; F295-A299 PolarHBondContact O-N 3.17Å; I296-A299 PolarHBondContact O-N 3.11Å; I296-A299 VanDerWaalsContact O-N 3.17Å; A299-T301 PolarHBondContact O-N 3.38Å; A299-T301 VanDerWaalsContact O-N 3.13Å
300L58.5Low55.3Low65 Ų6583.6 Ų83.634%0.3445%0.447SS..  trans-63.7108.4178.7-70.1175.8000111.4A297 Y370 D372A297-L300 WeakPolarHBondContact O-CD1 3.32Å; A297-L300 WeakPolarHBondContact O-CG 3.36Å; L300-Y370 HydrophobicContact CB-CD1 3.86Å; L300-Y370 HydrophobicContact CB-CG 4.23Å; L300-D372 HydrophobicContact CD2-CB 4.1Å
301T53Low53.3Low68 Ų6891.7 Ų91.742%0.41748%0.478SS..EExtended strand (participates in β ladder)trans-91.7170.8172.5560000110.8A299 Y370 L371 T376A299-T301 PolarHBondContact O-N 3.38Å; A299-T301 VanDerWaalsContact O-N 3.13Å; T301-Y370 CarbonylContact O-C 3.56Å; T301-Y370 WeakPolarHBondContact O-CA 3.34Å; T301-L371 PolarHBondContact N-O 3.26Å; T301-L371 PolarHBondContact O-N 3.04Å; T301-L371 PolarHBondContact OG1-O 2.95Å; T301-T376 PolarHBondContact OG1-OG1 3.46Å
302M49.7Very low51.4Low53 Ų53100.1 Ų100.126%0.26152%0.515SS..EExtended strand (participates in β ladder)trans-99.6126179.8-62.8-99.652.500110.9T304 Q368 W369 Y370M302-T304 PolarHBondContact O-N 3.31Å; M302-T304 PolarHBondContact O-OG1 3.37Å; M302-Q368 HydrophobicContact CE-CB 3.72Å; M302-Q368 HydrophobicContact CE-CG 3.66Å; M302-Q368 HydrophobicContact SD-CB 4.11Å; M302-Q368 HydrophobicContact SD-CG 3.71Å; M302-W369 VanDerWaalsContact CE-C 3.45Å; M302-W369 WeakPolarHBondContact CE-O 3.18Å; M302-Y370 HydrophobicContact CE-CD1 3.51Å; M302-Y370 HydrophobicContact CE-CD2 3.7Å; M302-Y370 HydrophobicContact CE-CE1 3.46Å; M302-Y370 VanDerWaalsContact CE-CE1 3.46Å; M302-Y370 HydrophobicContact CE-CE2 3.63Å; M302-Y370 HydrophobicContact CE-CG 3.62Å; M302-Y370 HydrophobicContact CG-CD1 4.4Å; M302-Y370 HydrophobicContact CG-CE1 4.14Å; M302-Y370 HydrophobicContact SD-CD1 4.13Å; M302-Y370 HydrophobicContact SD-CE1 3.56Å; M302-Y370 VanDerWaalsContact SD-CE1 3.56Å; M302-Y370 HydrophobicContact SD-CE2 4.38Å
303D50.8Low49.6Very low39 Ų39107.4 Ų107.421%0.20955%0.549CS..PPolyproline II helixtrans-59.9123.3166.5-84.8-51.8000108.2R210 W369 L371R210-D303 IonicContact NH2-OD2 3.37Å; D303-W369 HydrophobicContact CB-CB 4.23Å; D303-W369 WeakPolarHBondContact CB-O 3.48Å; D303-W369 PolarHBondContact N-O 3.12Å; D303-L371 WeakPolarHBondContact OD1-CD1 3.43Å; D303-L371 WeakPolarHBondContact OD1-CD2 3.29Å
304T48.4Very low48.1Very low124 Ų124116.1 Ų116.176%0.76159%0.588SS**  trans-127.518.7-175.4-31.80000112.6M302M302-T304 PolarHBondContact O-N 3.31Å; M302-T304 PolarHBondContact O-OG1 3.37Å
305E49.4Very low46.3Very low165 Ų165116.5 Ų116.577%0.77159%0.592SS**  trans-119.215.9-170.7-61-166.3153.400114.4
306E41Very low44.5Very low103 Ų103118.3 Ų118.348%0.48160%0.601SS.*SBendtrans-99.550.9176.1-71.9-177174.800112.6K151 R189K151-E306 WeakPolarHBondContact CE-OE2 3.35Å; K151-E306 IonicContact NZ-OE1 2.9Å; K151-E306 IonicContact NZ-OE2 2.74Å; K151-E306 PolarHBondContact NZ-OE2 2.68Å; R189-E306 IonicContact CZ-OE1 2.77Å; R189-E306 IonicContact NH1-OE1 3.76Å; R189-E306 PolarHBondContact NH1-OE1 2.95Å; R189-E306 IonicContact NH2-OE1 3.45Å; R189-E306 PolarHBondContact NH2-OE1 3.02Å
307E39.7Very low42.9Very low159 Ų159123.5 Ų123.574%0.74362%0.623SS**  trans-163.488.1162.4-118.1169.4-110.100111.9Q366E307-Q366 PolarHBondContact OE1-NE2 3.45Å
308R34.5Very low41.6Very low247 Ų247126.9 Ų126.993%0.93263%0.632SS**  trans-153.770.8162.6-143.8173.6-165.1176.33.2111.4
309G33.8Very low40.2Very low73 Ų73125.2 Ų125.275%0.75363%0.63SS**  trans-63.4162.616700000111.7E311G309-E311 PolarHBondContact O-N 3.36Å
310E31.3Very low39Very low201 Ų201131 Ų13194%0.93966%0.662SS**  trans-79.2111.7-179.3-61.7167.114400110.1
311E33.5Very low37.6Very low195 Ų195136.9 Ų136.991%0.91169%0.69SS**  trans-151.2147.2159.2-119.2166.2-142.500109G309G309-E311 PolarHBondContact O-N 3.36Å
312E31.4Very low36.4Very low188 Ų188137 Ų13788%0.87971%0.705SS**  trans-103.1169.3-160.7-58.3-178111.900113.5
313E31.6Very low35.6Very low182 Ų182146.5 Ų146.585%0.8574%0.738SS**  trans74.6113.4161.4-61.8-167.3151.100121.4
314E33.2Very low34.4Very low193 Ų193155.9 Ų155.990%0.90277%0.77SS**  trans77.3166.9147-56.5-153.8144.400122.2
315E31.7Very low33.7Very low145 Ų145155.9 Ų155.968%0.67878%0.776SS**  trans-111.6158.8-161.7-55.5-173.3100.200111.4
316Q33.6Very low32.8Very low112 Ų112155.1 Ų155.152%0.52377%0.772SS.*  -175.813774.9-77.7-165.64.500114N348Q316-N348 VanDerWaalsContact CA-ND2 3.31Å; Q316-N348 WeakPolarHBondContact CA-ND2 3.18Å; Q316-N348 HydrophobicContact CB-CB 3.78Å; Q316-N348 WeakPolarHBondContact CB-ND2 3.5Å; Q316-N348 HydrophobicContact CG-CB 4.27Å; Q316-N348 WeakPolarHBondContact CG-ND2 3.37Å; Q316-N348 VanDerWaalsContact OE1-CA 3.26Å
317K33.6Very low32.2Very low118 Ų118156.7 Ų156.751%0.51378%0.783SS.*  trans-55.7150.8179.3-43.8167.9-172.365.60116.9N348K317-N348 HydrophobicContact CB-CB 3.66Å; K317-N348 HydrophobicContact CD-CB 4.41Å; K317-N348 WeakPolarHBondContact CD-OD1 3.35Å; K317-N348 WeakPolarHBondContact CE-OD1 3.41Å; K317-N348 HydrophobicContact CG-CB 4.05Å; K317-N348 WeakPolarHBondContact CG-OD1 3.17Å; K317-N348 VanDerWaalsContact N-CB 3.29Å; K317-N348 PolarHBondContact N-ND2 3.38Å; K317-N348 PolarHBondContact NZ-OD1 3.16Å; K317-N348 VanDerWaalsContact O-CB 3.28Å; K317-N348 WeakPolarHBondContact O-CB 3.26Å
318H34.4Very low31.8Very low113 Ų113154.7 Ų154.752%0.52379%0.787SS.*  -175.4167.3106.4-102.9-79.3000110.7Y350H318-Y350 HydrophobicContact CB-CD2 4.5Å; H318-Y350 HydrophobicContact CB-CE2 3.97Å; H318-Y350 PolarHBondContact O-OH 3.12Å
319G32.5Very low31.5Very low61 Ų61148.9 Ų148.963%0.62978%0.779SS**  cis161.128.5-8.100000120.2
320V32.4Very low31.6Very low146 Ų146153.1 Ų153.189%0.88578%0.783SS**  trans-110.5150.1-171.3-178.40000114.9
321M29.7Very low31.6Very low189 Ų189151.4 Ų151.493%0.93178%0.779SS**  trans-60.5135-176.4-69175.6164.600116.6
322G27.9Very low31.3Very low71 Ų71149.9 Ų149.973%0.73278%0.777SS**  111.9120.792.900000120.3
323R32.5Very low31.4Very low253 Ų253147.9 Ų147.996%0.95577%0.768SS**  trans-159.1145.4132.7-114.1169.1-177.4165.21.6111.4
324R27.3Very low31.7Very low235 Ų235147 Ų14789%0.88777%0.768SS**  trans-80.4140.1165.7-74.4175.7170.6155-4.8109
325S33Very low31.5Very low125 Ų125145.3 Ų145.387%0.87477%0.765SS**  trans-119.5163.9151.3-163.60000108.9
326H30.5Very low31.5Very low149 Ų149145.9 Ų145.969%0.6977%0.773SS**  trans-104141.4-160.2-86.3-101.2000114.8
327N27.4Very low31.5Very low135 Ų135150.7 Ų150.772%0.72279%0.787SS**  trans47.692.4142-54.96.9000118.9
328S33.1Very low31.4Very low118 Ų118152.4 Ų152.483%0.82580%0.802SS**  trans-111.590.9140.650.50000109.4I330S328-I330 PolarHBondContact O-N 3.19Å; S328-I330 VanDerWaalsContact O-N 3.09Å
329T28.2Very low31.3Very low124 Ų124155.2 Ų155.276%0.76182%0.82SS**  trans-78.492.8178.7-53.80000110.1
330I34Very low31Very low163 Ų163157.2 Ų157.284%0.83682%0.824SS**  trans-178.894.5150.7-88.6143.9000106S328S328-I330 PolarHBondContact O-N 3.19Å; S328-I330 VanDerWaalsContact O-N 3.09Å
331L31.2Very low31Very low165 Ų165155.9 Ų155.986%0.86482%0.817SS**  trans-156.142.1172.4-154.285.8000112.2
332N29.2Very low31.1Very low162 Ų162154.7 Ų154.787%0.86681%0.812SS**  trans-112.353.3-173.9-77.2-0.4000112.9
333E32.6Very low31.3Very low147 Ų147156.6 Ų156.669%0.68781%0.81SS**  trans-154.336.1171.7-130.2155-148.100116.8
334I36.9Very low31.3Very low163 Ų163151.1 Ų151.184%0.83680%0.8SS**  trans-132.378.3163-49.4178.6000109.5
335N30.5Very low31.5Very low158 Ų158146.7 Ų146.785%0.84579%0.794SS**  trans-147.484.6173.6-87.7-31000109.5
336D30.5Very low31.3Very low157 Ų157150.8 Ų150.884%0.8479%0.79SS**  trans-175.281.8156.2-115.61.3000109.8
337Y34.2Very low31.5Very low212 Ų212148.9 Ų148.983%0.83179%0.785SS**SBendtrans-164.7132.7154.6-90.4-57.9000109.4
338D31.5Very low31.8Very low155 Ų155143.4 Ų143.483%0.82976%0.755SS**  trans-72.1127.3-169.9-64.2-70.6000113.9
339L31.4Very low31.9Very low172 Ų172144.4 Ų144.490%0.90175%0.747SS**  trans-120.576.5166.2-173.266.1000110.1
340S27Very low32.2Very low102 Ų102145.2 Ų145.271%0.71374%0.737SS**  trans-120.255.8-178690000112.8
341T31.6Very low32.4Very low119 Ų119144.3 Ų144.373%0.7373%0.734SS**  trans-152.6149.9168.1-33.60000112.1
342I33.6Very low32.6Very low163 Ų163143 Ų14384%0.83672%0.723SS**  trans75.3125.7176.2-49-178.8000114.2
343T31.7Very low32.9Very low111 Ų111141.1 Ų141.168%0.68171%0.713SS**  trans-145.5152.5-163.854.30000112.6
344N31.5Very low33.1Very low138 Ų138139.9 Ų139.974%0.73871%0.711SS**  trans101.7140.2150.7-57.4-37.1000120.8
345N31.7Very low33.1Very low143 Ų143138.7 Ų138.777%0.76571%0.706SS**  trans72136.6156.7-64.2-13.6000119.1
346R30Very low33.6Very low211 Ų211138.4 Ų138.480%0.79671%0.705SS**  cis74.6138.926.8-73.2-173.1156.3145-4114.1
347N34.4Very low33.9Very low109 Ų109138.3 Ų138.358%0.58371%0.705SS**  cis-147.1-179.413.7-100.3-22000110.3
348N33.9Very low34.3Very low19 Ų19133.9 Ų133.910%0.10271%0.705CS.*  trans-153.1151.4-164.3-6194.7000114.6Q316 K317Q316-N348 VanDerWaalsContact CA-ND2 3.31Å; Q316-N348 WeakPolarHBondContact CA-ND2 3.18Å; Q316-N348 HydrophobicContact CB-CB 3.78Å; Q316-N348 WeakPolarHBondContact CB-ND2 3.5Å; Q316-N348 HydrophobicContact CG-CB 4.27Å; Q316-N348 WeakPolarHBondContact CG-ND2 3.37Å; Q316-N348 VanDerWaalsContact OE1-CA 3.26Å; K317-N348 HydrophobicContact CB-CB 3.66Å; K317-N348 HydrophobicContact CD-CB 4.41Å; K317-N348 WeakPolarHBondContact CD-OD1 3.35Å; K317-N348 WeakPolarHBondContact CE-OD1 3.41Å; K317-N348 HydrophobicContact CG-CB 4.05Å; K317-N348 WeakPolarHBondContact CG-OD1 3.17Å; K317-N348 VanDerWaalsContact N-CB 3.29Å; K317-N348 PolarHBondContact N-ND2 3.38Å; K317-N348 PolarHBondContact NZ-OD1 3.16Å; K317-N348 VanDerWaalsContact O-CB 3.28Å; K317-N348 WeakPolarHBondContact O-CB 3.26Å
349H34.9Very low34.4Very low140 Ų140133.4 Ų133.465%0.64870%0.702SS**  trans-151.2172.2170-147.543.7000116.4
350Y34.6Very low34.8Very low140 Ų140132.9 Ų132.955%0.54970%0.7SS.*  trans-82.5172.1-171.4-97-111.9000113.3H318H318-Y350 HydrophobicContact CB-CD2 4.5Å; H318-Y350 HydrophobicContact CB-CE2 3.97Å; H318-Y350 PolarHBondContact O-OH 3.12Å
351D36.6Very low35.2Very low145 Ų145134.6 Ų134.678%0.77570%0.701SS**  -167.4-178.756.4-138.6-21.5000118.3
352H36.2Very low35.6Very low136 Ų136136 Ų13663%0.6370%0.704SS**  trans-65.1147.7-167.1-122.2-109000119.8
353N36.1Very low35.7Very low124 Ų124134.7 Ų134.766%0.66370%0.699SS**  170.6137.3101.1-91.7-50.6000119.5
354N37.1Very low35.9Very low120 Ų120138 Ų13864%0.64271%0.707SS**  trans68.2127.6137.5-62.4-18.7000125
355N36.2Very low36.2Very low138 Ų138138.4 Ų138.474%0.73870%0.704SS**  trans62.8129.5143.8-55.8-1.3000118.3
356D41.4Very low36.4Very low153 Ų153138.8 Ų138.882%0.81870%0.701SS**  -150.3179.655.7-120.3-32.6000115.4
357N36.4Very low37Very low155 Ų155135.5 Ų135.583%0.82969%0.694SS**  trans-101132.9-176.7-63.2-92.2000113.9
358S41.7Very low37.6Very low119 Ų119136.2 Ų136.283%0.83269%0.694SS**  trans-150.3135.6149.356.10000110.4
359N34.7Very low38.5Very low144 Ų144136.1 Ų136.177%0.7769%0.692SS**  trans-86.9139.3175.8-49.5-83.6000110.1
360D39.8Very low39.5Very low161 Ų161134.1 Ų134.186%0.86168%0.68SS**  trans-145.6143.3137.6-97.5-43.1000109.1
361N35.5Very low40.9Very low138 Ų138128.4 Ų128.474%0.73866%0.658SS**  trans-111.463.6-167.3-77.7-78.5000112.5
362D39.9Very low42.3Very low148 Ų148121.7 Ų121.779%0.79162%0.622SS**  trans-89110.2169.6-83.2-41.3000111.3H364D362-H364 VanDerWaalsContact C-N 3.29Å; D362-H364 PolarHBondContact O-N 3.18Å
363N35.6Very low44Very low137 Ų137118.5 Ų118.573%0.73361%0.605SS**  trans-74.379.1178.4-77.4-71.5000111.1H365N363-H365 VanDerWaalsContact C-N 3.26Å; N363-H365 PolarHBondContact O-N 2.76Å
364H36.1Very low45.9Very low181 Ų181112.7 Ų112.784%0.83857%0.574SS**  trans-64.387.1164-104.9-82.8000110D362 Q366D362-H364 VanDerWaalsContact C-N 3.29Å; D362-H364 PolarHBondContact O-N 3.18Å; H364-Q366 VanDerWaalsContact C-N 3.27Å; H364-Q366 PolarHBondContact O-N 3.11Å
365H38.3Very low47.7Very low146 Ų146107 Ų10768%0.67654%0.544SS*.  trans-66.291165.2-81.4-56.9000108.9N363 H367N363-H365 VanDerWaalsContact C-N 3.26Å; N363-H365 PolarHBondContact O-N 2.76Å; H365-H367 PolarHBondContact O-CD2 2.86Å; H365-H367 PolarHBondContact O-N 3.41Å
366Q34.4Very low49.4Very low151 Ų151102.3 Ų102.371%0.70652%0.52SS*.  trans-66.781.9173.7-162.7171.425.200108.6E307 H364 Q368E307-Q366 PolarHBondContact OE1-NE2 3.45Å; H364-Q366 VanDerWaalsContact C-N 3.27Å; H364-Q366 PolarHBondContact O-N 3.11Å; Q366-Q368 PolarHBondContact O-N 3.21Å
367H43.5Very low50.9Low141 Ų14197 Ų9765%0.65349%0.491SS*.  trans-60.2104.8-175.8-85.3-84000109.9H365 W369H365-H367 PolarHBondContact O-CD2 2.86Å; H365-H367 PolarHBondContact O-N 3.41Å; H367-W369 PolarHBondContact O-N 3.11Å
368Q47.1Very low52.8Low124 Ų12490 Ų9058%0.57945%0.453SS*.PPolyproline II helixtrans-63.4129.7179.5-130.7172.1-10.700109.9N212 M302 Q366N212-Q368 PolarHBondContact ND2-O 3.44Å; M302-Q368 HydrophobicContact CE-CB 3.72Å; M302-Q368 HydrophobicContact CE-CG 3.66Å; M302-Q368 HydrophobicContact SD-CB 4.11Å; M302-Q368 HydrophobicContact SD-CG 3.71Å; Q366-Q368 PolarHBondContact O-N 3.21Å
369W52.9Low54.2Low17 Ų1786.8 Ų86.86%0.06443%0.426CS..PPolyproline II helixtrans-99.1133.3179.6-87.170.5000110.3K151 S187 R189 N212 M302 D303 H367K151-W369 HydrophobicContact CB-CZ2 4.3Å; K151-W369 HydrophobicContact CD-CZ2 3.9Å; K151-W369 HydrophobicContact CG-CH2 4.26Å; K151-W369 HydrophobicContact CG-CZ2 3.69Å; S187-W369 WeakPolarHBondContact O-CH2 3.35Å; R189-W369 HydrophobicContact CB-CH2 3.82Å; R189-W369 HydrophobicContact CB-CZ3 3.75Å; N212-W369 HydrophobicContact CB-CD2 4.31Å; N212-W369 HydrophobicContact CB-CE3 4.37Å; N212-W369 HydrophobicContact CB-CH2 4.18Å; N212-W369 HydrophobicContact CB-CZ2 4.1Å; N212-W369 HydrophobicContact CB-CZ3 4.31Å; M302-W369 VanDerWaalsContact CE-C 3.45Å; M302-W369 WeakPolarHBondContact CE-O 3.18Å; D303-W369 HydrophobicContact CB-CB 4.23Å; D303-W369 WeakPolarHBondContact CB-O 3.48Å; D303-W369 PolarHBondContact N-O 3.12Å; H367-W369 PolarHBondContact O-N 3.11Å
370Y55.4Low55.7Low99 Ų9986.5 Ų86.539%0.38842%0.418SS..EExtended strand (participates in β ladder)trans-86.3133.8173.6-66.8-91.9000110.7R210 L300 T301 M302R210-Y370 PolarHBondContact NH1-O 2.81Å; R210-Y370 PolarHBondContact NH2-O 2.84Å; L300-Y370 HydrophobicContact CB-CD1 3.86Å; L300-Y370 HydrophobicContact CB-CG 4.23Å; T301-Y370 CarbonylContact O-C 3.56Å; T301-Y370 WeakPolarHBondContact O-CA 3.34Å; M302-Y370 HydrophobicContact CE-CD1 3.51Å; M302-Y370 HydrophobicContact CE-CD2 3.7Å; M302-Y370 HydrophobicContact CE-CE1 3.46Å; M302-Y370 VanDerWaalsContact CE-CE1 3.46Å; M302-Y370 HydrophobicContact CE-CE2 3.63Å; M302-Y370 HydrophobicContact CE-CG 3.62Å; M302-Y370 HydrophobicContact CG-CD1 4.4Å; M302-Y370 HydrophobicContact CG-CE1 4.14Å; M302-Y370 HydrophobicContact SD-CD1 4.13Å; M302-Y370 HydrophobicContact SD-CE1 3.56Å; M302-Y370 VanDerWaalsContact SD-CE1 3.56Å; M302-Y370 HydrophobicContact SD-CE2 4.38Å
371L63.1Low56.4Low19 Ų1981.1 Ų81.110%0.09939%0.389CS..EExtended strand (participates in β ladder)trans-98.2121.3170-162.964.3000109.4T301 D303 D375 T376T301-L371 PolarHBondContact N-O 3.26Å; T301-L371 PolarHBondContact O-N 3.04Å; T301-L371 PolarHBondContact OG1-O 2.95Å; D303-L371 WeakPolarHBondContact OD1-CD1 3.43Å; D303-L371 WeakPolarHBondContact OD1-CD2 3.29Å; L371-D375 HydrophobicContact CD1-CB 3.79Å; L371-D375 HydrophobicContact CG-CB 4.33Å; L371-T376 HydrophobicContact CD2-CG2 4.25Å; L371-T376 WeakPolarHBondContact CD2-OG1 3.3Å; L371-T376 VanDerWaalsContact CG-OG1 3.28Å; L371-T376 WeakPolarHBondContact CG-OG1 3.41Å
372D66.9Low57.2Low4 Ų478.7 Ų78.72%0.02137%0.372CS..PPolyproline II helixtrans-79.2146.7-178.3178.30.3000110.7R246 I296 L300 L374 D375 T376R246-D372 IonicContact CZ-OD2 2.68Å; R246-D372 IonicContact NH1-OD2 3.17Å; R246-D372 PolarHBondContact NH1-OD2 2.94Å; R246-D372 IonicContact NH2-OD2 2.8Å; R246-D372 PolarHBondContact NH2-OD2 3.41Å; I296-D372 WeakPolarHBondContact CG2-OD1 3.22Å; I296-D372 WeakPolarHBondContact CG2-OD2 3.28Å; L300-D372 HydrophobicContact CD2-CB 4.1Å; D372-L374 VanDerWaalsContact C-N 3.3Å; D372-L374 PolarHBondContact O-N 3.29Å; D372-L374 VanDerWaalsContact O-N 3.12Å; D372-D375 HydrophobicContact CB-CB 4.23Å; D372-D375 CarbonylContact O-C 3.53Å; D372-D375 WeakPolarHBondContact O-CA 3.29Å; D372-D375 VanDerWaalsContact O-CB 3.3Å; D372-D375 WeakPolarHBondContact O-CB 3.19Å; D372-D375 PolarHBondContact O-N 3.26Å; D372-T376 PolarHBondContact O-N 3.22Å; D372-T376 PolarHBondContact O-OG1 3.17Å; D372-T376 VanDerWaalsContact O-OG1 3.13Å
373Y71.5Confident57.4Low69 Ų6978.7 Ų78.727%0.27137%0.367SS..Hα-helixtrans-44.1-48.8-174.5170.1-105.7000114A291 F295 T376 I377 N414 T415A291-Y373 HydrophobicContact CB-CE1 4.49Å; F295-Y373 AromaticContact CE1-CD1 3.83Å; F295-Y373 HydrophobicContact CE1-CD1 3.83Å; F295-Y373 HydrophobicContact CE1-CD2 4.2Å; F295-Y373 HydrophobicContact CE1-CE1 4.06Å; F295-Y373 HydrophobicContact CE1-CE2 4.41Å; F295-Y373 AromaticContact CE1-CG 3.9Å; F295-Y373 HydrophobicContact CE1-CG 3.9Å; Y373-T376 PolarHBondContact O-N 2.99Å; Y373-I377 HydrophobicContact CD1-CD1 4.32Å; Y373-I377 HydrophobicContact CD2-CD1 4.25Å; Y373-I377 HydrophobicContact CE1-CD1 3.89Å; Y373-I377 HydrophobicContact CE2-CD1 3.8Å; Y373-I377 HydrophobicContact CG-CD1 4.5Å; Y373-I377 WeakPolarHBondContact O-CG1 3.14Å; Y373-I377 PolarHBondContact O-N 2.84Å; Y373-I377 VanDerWaalsContact O-N 3.16Å; Y373-N414 HydrophobicContact CE1-CB 3.94Å; Y373-T415 HydrophobicContact CE1-CG2 3.89Å
374L77.4Confident57.6Low3 Ų379.2 Ų79.22%0.01637%0.365CS..Hα-helixtrans-67.4-41.3178.8-175.968.6000112.1D372 T376 I377 R378 T415 E422 L424D372-L374 VanDerWaalsContact C-N 3.3Å; D372-L374 PolarHBondContact O-N 3.29Å; D372-L374 VanDerWaalsContact O-N 3.12Å; L374-T376 VanDerWaalsContact C-N 3.32Å; L374-I377 PolarHBondContact O-N 2.96Å; L374-R378 WeakPolarHBondContact O-CB 3.34Å; L374-R378 VanDerWaalsContact O-CG 3.27Å; L374-R378 WeakPolarHBondContact O-CG 3.04Å; L374-R378 PolarHBondContact O-N 3.33Å; L374-T415 HydrophobicContact CD1-CG2 3.92Å; L374-E422 HydrophobicContact CD1-CB 4.08Å; L374-L424 HydrophobicContact CB-CD2 4.42Å; L374-L424 HydrophobicContact CD1-CD2 4.18Å; L374-L424 HydrophobicContact CD2-CD2 4.11Å; L374-L424 HydrophobicContact CD2-CG 3.97Å; L374-L424 HydrophobicContact CG-CD2 4.48Å
375D73.9Confident57.6Low0 Ų074 Ų740%035%0.346CS..Hα-helixtrans-66.8-32.4177.4-99.9-44.4000112R148 R210 R246 L371 D372 M379R148-D375 IonicContact CZ-OD1 2.77Å; R148-D375 IonicContact NE-OD1 3.76Å; R148-D375 PolarHBondContact NE-OD1 3.29Å; R148-D375 VanDerWaalsContact NH2-CB 3.27Å; R148-D375 PolarHBondContact NH2-O 3.3Å; R148-D375 IonicContact NH2-OD1 2.72Å; R148-D375 PolarHBondContact NH2-OD1 3.04Å; R210-D375 IonicContact NE-OD2 3.58Å; R246-D375 IonicContact CZ-OD2 2.62Å; R246-D375 IonicContact NH2-OD2 2.72Å; R246-D375 PolarHBondContact NH2-OD2 3.15Å; L371-D375 HydrophobicContact CD1-CB 3.79Å; L371-D375 HydrophobicContact CG-CB 4.33Å; D372-D375 HydrophobicContact CB-CB 4.23Å; D372-D375 CarbonylContact O-C 3.53Å; D372-D375 WeakPolarHBondContact O-CA 3.29Å; D372-D375 VanDerWaalsContact O-CB 3.3Å; D372-D375 WeakPolarHBondContact O-CB 3.19Å; D372-D375 PolarHBondContact O-N 3.26Å; D375-M379 WeakPolarHBondContact O-CB 3.47Å; D375-M379 PolarHBondContact O-N 3.47Å; D375-M379 VanDerWaalsContact O-N 3.12Å
376T71.4Confident57.4Low40 Ų4074.4 Ų74.425%0.24535%0.346CS..Hα-helixtrans-66.6-46.1173-570000111.1T301 L371 D372 Y373 L374 K380T301-T376 PolarHBondContact OG1-OG1 3.46Å; L371-T376 HydrophobicContact CD2-CG2 4.25Å; L371-T376 WeakPolarHBondContact CD2-OG1 3.3Å; L371-T376 VanDerWaalsContact CG-OG1 3.28Å; L371-T376 WeakPolarHBondContact CG-OG1 3.41Å; D372-T376 PolarHBondContact O-N 3.22Å; D372-T376 PolarHBondContact O-OG1 3.17Å; D372-T376 VanDerWaalsContact O-OG1 3.13Å; Y373-T376 PolarHBondContact O-N 2.99Å; L374-T376 VanDerWaalsContact C-N 3.32Å; T376-K380 WeakPolarHBondContact O-CB 3.33Å; T376-K380 PolarHBondContact O-N 3.1Å
377I73.7Confident57.4Low40 Ų4072.5 Ų72.521%0.20535%0.345CS..Hα-helixtrans-69.3-46.8179.1-56159.8000110.4Y373 L374 M379 K380 N381 T415 E422Y373-I377 HydrophobicContact CD1-CD1 4.32Å; Y373-I377 HydrophobicContact CD2-CD1 4.25Å; Y373-I377 HydrophobicContact CE1-CD1 3.89Å; Y373-I377 HydrophobicContact CE2-CD1 3.8Å; Y373-I377 HydrophobicContact CG-CD1 4.5Å; Y373-I377 WeakPolarHBondContact O-CG1 3.14Å; Y373-I377 PolarHBondContact O-N 2.84Å; Y373-I377 VanDerWaalsContact O-N 3.16Å; L374-I377 PolarHBondContact O-N 2.96Å; I377-M379 PolarHBondContact O-N 3.2Å; I377-K380 PolarHBondContact O-N 2.91Å; I377-N381 WeakPolarHBondContact O-CB 3.46Å; I377-N381 VanDerWaalsContact O-CG 3.27Å; I377-N381 PolarHBondContact O-N 2.83Å; I377-T415 HydrophobicContact CD1-CG2 4.09Å; I377-E422 HydrophobicContact CB-CG 4.44Å; I377-E422 HydrophobicContact CG2-CG 3.62Å
378R76.7Confident57Low8 Ų871.1 Ų71.13%0.0335%0.351CS..Hα-helixtrans-55.3-35.7177-75.8174.7173.2179.7-5.5112.9E208 L374 E422E208-R378 IonicContact OE1-CZ 2.82Å; E208-R378 IonicContact OE1-NH1 3.97Å; E208-R378 PolarHBondContact OE1-NH1 3.2Å; E208-R378 IonicContact OE1-NH2 3.66Å; E208-R378 IonicContact OE2-NH1 2.7Å; E208-R378 PolarHBondContact OE2-NH1 3.26Å; L374-R378 WeakPolarHBondContact O-CB 3.34Å; L374-R378 VanDerWaalsContact O-CG 3.27Å; L374-R378 WeakPolarHBondContact O-CG 3.04Å; L374-R378 PolarHBondContact O-N 3.33Å; R378-E422 PolarHBondContact NE-O 2.68Å; R378-E422 PolarHBondContact NH2-O 3.3Å
379M70.1Confident56.6Low52 Ų5271.2 Ų71.226%0.25636%0.355SS..Hα-helixtrans-88.8-40.8177.1-78.3-152.5167.200114.9R148 D375 I377 N381 K382R148-M379 HydrophobicContact CB-CE 4.2Å; R148-M379 HydrophobicContact CG-CE 3.64Å; R148-M379 VanDerWaalsContact CZ-CE 3.45Å; R148-M379 PolarHBondContact NH1-SD 3.08Å; D375-M379 WeakPolarHBondContact O-CB 3.47Å; D375-M379 PolarHBondContact O-N 3.47Å; D375-M379 VanDerWaalsContact O-N 3.12Å; I377-M379 PolarHBondContact O-N 3.2Å; M379-N381 PolarHBondContact O-N 2.84Å; M379-K382 WeakPolarHBondContact O-CB 3.44Å; M379-K382 PolarHBondContact O-N 3.01Å
380K65.6Low56.2Low139 Ų13972.4 Ų72.460%0.60437%0.365SS*.Hα-helixtrans-59.1-36.4177.4-172.4175.3-178.4179.80111.5T376 I377 K382 Q383T376-K380 WeakPolarHBondContact O-CB 3.33Å; T376-K380 PolarHBondContact O-N 3.1Å; I377-K380 PolarHBondContact O-N 2.91Å; K380-K382 PolarHBondContact O-N 2.89Å; K380-Q383 PolarHBondContact O-N 3.26Å
381N55.7Low56.1Low47 Ų4769.8 Ų69.825%0.25136%0.359SS..G310 helixtrans-61.1-22.7174.7-74.50.8000113.2I377 M379 Q383 Q384 T385I377-N381 WeakPolarHBondContact O-CB 3.46Å; I377-N381 VanDerWaalsContact O-CG 3.27Å; I377-N381 PolarHBondContact O-N 2.83Å; M379-N381 PolarHBondContact O-N 2.84Å; N381-Q383 PolarHBondContact O-N 2.75Å; N381-Q383 VanDerWaalsContact O-N 3.15Å; N381-Q384 PolarHBondContact O-N 2.98Å; N381-T385 HydrophobicContact CB-CG2 4.13Å; N381-T385 WeakPolarHBondContact O-CG2 3.5Å; N381-T385 PolarHBondContact O-N 2.87Å; N381-T385 PolarHBondContact O-OG1 2.6Å
382K51.9Low55.8Low88 Ų8871 Ų7138%0.38337%0.365SS..G310 helixtrans-57.2-30.7174.4-70.4-166.9171.2-1640113.5V146 M379 K380 F386V146-K382 WeakPolarHBondContact O-CE 3.26Å; V146-K382 PolarHBondContact O-NZ 3.11Å; M379-K382 WeakPolarHBondContact O-CB 3.44Å; M379-K382 PolarHBondContact O-N 3.01Å; K380-K382 PolarHBondContact O-N 2.89Å; K382-F386 WeakPolarHBondContact O-CD2 3.47Å; K382-F386 WeakPolarHBondContact O-CE2 3.3Å
383Q43.5Very low55.6Low147 Ų14771.4 Ų71.469%0.68737%0.367SS*.G310 helixtrans-84.9-14.7178.9-67.5-179.83.500113.2K380 N381K380-Q383 PolarHBondContact O-N 3.26Å; N381-Q383 PolarHBondContact O-N 2.75Å; N381-Q383 VanDerWaalsContact O-N 3.15Å
384Q40.4Very low54.9Low149 Ų14971 Ų7170%0.69637%0.369SS*.THydrogen-bonded Turntrans-116.3-18.5-176.8-70.4-175.1-52.800114.5N381 F386N381-Q384 PolarHBondContact O-N 2.98Å; Q384-F386 PolarHBondContact O-N 2.8Å
385T37Very low54.2Low70 Ų7075.2 Ų75.243%0.42939%0.388SS..THydrogen-bonded Turntrans-81.537.9170.362.30000112.6K141 N381K141-T385 PolarHBondContact NZ-O 2.79Å; N381-T385 HydrophobicContact CB-CG2 4.13Å; N381-T385 WeakPolarHBondContact O-CG2 3.5Å; N381-T385 PolarHBondContact O-N 2.87Å; N381-T385 PolarHBondContact O-OG1 2.6Å
386F34.1Very low53.5Low156 Ų15679.1 Ų79.168%0.68441%0.406SS*.THydrogen-bonded Turntrans-98.2-2.1172.6-94.5-83.1000114.1K141 K382 Q384K141-F386 VanDerWaalsContact NZ-CD1 3.29Å; K382-F386 WeakPolarHBondContact O-CD2 3.47Å; K382-F386 WeakPolarHBondContact O-CE2 3.3Å; Q384-F386 PolarHBondContact O-N 2.8Å
387V33.1Very low52.9Low111 Ų11177.6 Ų77.667%0.67340%0.397SS*.SBendtrans-108.1142.9162.8-179.30000109.1D389V387-D389 PolarHBondContact O-N 3.35Å
388S35.3Very low52.4Low112 Ų11279.8 Ų79.878%0.78341%0.409SS*.  trans-80.334.6-169.149.60000115.3T390S388-T390 VanDerWaalsContact C-N 3.26Å; S388-T390 PolarHBondContact O-N 2.85Å
389D39.1Very low51.7Low126 Ų12684.5 Ų84.567%0.67443%0.429SS*.  trans-79.881.5165.5-83.2-41.3000109.8V387V387-D389 PolarHBondContact O-N 3.35Å
390T45.3Very low51.1Low42 Ų4286.2 Ų86.226%0.25843%0.433SS..  trans-38.3145.715655.70000110.5S388 N392 I454S388-T390 VanDerWaalsContact C-N 3.26Å; S388-T390 PolarHBondContact O-N 2.85Å; T390-N392 VanDerWaalsContact C-N 3.34Å; T390-N392 WeakPolarHBondContact O-CA 3.48Å; T390-N392 WeakPolarHBondContact O-CB 3.3Å; T390-N392 PolarHBondContact O-N 2.81Å; T390-I454 HydrophobicContact CG2-CD1 3.65Å; T390-I454 HydrophobicContact CG2-CG1 3.9Å; T390-I454 HydrophobicContact CG2-CG2 4.17Å
391T52.7Low50.7Low43 Ų4383.1 Ų83.126%0.26442%0.422SS..  trans-48.999.3172.2-12.60000109Y393T391-Y393 VanDerWaalsContact C-N 3.32Å; T391-Y393 WeakPolarHBondContact O-CD2 3.44Å; T391-Y393 WeakPolarHBondContact O-CE2 3.49Å; T391-Y393 PolarHBondContact O-N 2.98Å
392N56.9Low50.9Low45 Ų4589.5 Ų89.524%0.24145%0.448CS..  trans-86.786.4-165.3-177.6-3.9000106.2T390 L394 Q395 F396T390-N392 VanDerWaalsContact C-N 3.34Å; T390-N392 WeakPolarHBondContact O-CA 3.48Å; T390-N392 WeakPolarHBondContact O-CB 3.3Å; T390-N392 PolarHBondContact O-N 2.81Å; N392-L394 CarbonylContact O-C 3.56Å; N392-L394 PolarHBondContact O-N 2.99Å; N392-L394 PolarHBondContact OD1-N 2.84Å; N392-Q395 HydrophobicContact CB-CB 3.75Å; N392-Q395 CarbonylContact O-C 3.36Å; N392-Q395 VanDerWaalsContact O-CA 3.3Å; N392-Q395 WeakPolarHBondContact O-CA 3.06Å; N392-Q395 VanDerWaalsContact O-CB 3.32Å; N392-Q395 WeakPolarHBondContact O-CB 3.43Å; N392-Q395 PolarHBondContact O-N 3.07Å; N392-Q395 PolarHBondContact OD1-N 2.69Å; N392-F396 PolarHBondContact O-N 3.32Å
393Y62.4Low51.1Low12 Ų1288 Ų885%0.04744%0.443CS..Hα-helixtrans-56.9-23.6-174.7-55.6-93.6000112.3T391 A397 V433 C436 D450T391-Y393 VanDerWaalsContact C-N 3.32Å; T391-Y393 WeakPolarHBondContact O-CD2 3.44Å; T391-Y393 WeakPolarHBondContact O-CE2 3.49Å; T391-Y393 PolarHBondContact O-N 2.98Å; Y393-A397 VanDerWaalsContact O-CB 3.3Å; Y393-A397 WeakPolarHBondContact O-CB 3.3Å; Y393-A397 PolarHBondContact O-N 2.87Å; Y393-V433 HydrophobicContact CD1-CG1 4.49Å; Y393-C436 HydrophobicContact CD1-CB 3.61Å; Y393-C436 HydrophobicContact CD2-CB 4.18Å; Y393-C436 HydrophobicContact CE1-CB 3.6Å; Y393-C436 HydrophobicContact CE2-CB 4.2Å; Y393-C436 HydrophobicContact CG-CB 3.89Å; Y393-D450 VanDerWaalsContact CE2-CG 3.46Å; Y393-D450 VanDerWaalsContact CE2-OD1 3.29Å; Y393-D450 WeakPolarHBondContact CE2-OD1 3.41Å; Y393-D450 WeakPolarHBondContact CE2-OD2 3.36Å; Y393-D450 PolarHBondContact OH-OD1 3.02Å
394L57.6Low51.4Low61 Ų6189.1 Ų89.132%0.31945%0.445SS..Hα-helixtrans-72.9-39.3169.5-171.1147.9000112.4N392 L398 A440N392-L394 CarbonylContact O-C 3.56Å; N392-L394 PolarHBondContact O-N 2.99Å; N392-L394 PolarHBondContact OD1-N 2.84Å; L394-L398 HydrophobicContact CD2-CD1 3.64Å; L394-L398 HydrophobicContact CD2-CG 4.27Å; L394-L398 WeakPolarHBondContact O-CB 3.38Å; L394-L398 WeakPolarHBondContact O-CG 3.34Å; L394-L398 PolarHBondContact O-N 3.21Å; L394-A440 HydrophobicContact CB-CB 4.29Å
395Q61.8Low51.9Low91 Ų9188.5 Ų88.543%0.42545%0.451SS..Hα-helixtrans-67.2-35.1169-175.7178.7-8.100112.2N392 L398 K399N392-Q395 HydrophobicContact CB-CB 3.75Å; N392-Q395 CarbonylContact O-C 3.36Å; N392-Q395 VanDerWaalsContact O-CA 3.3Å; N392-Q395 WeakPolarHBondContact O-CA 3.06Å; N392-Q395 VanDerWaalsContact O-CB 3.32Å; N392-Q395 WeakPolarHBondContact O-CB 3.43Å; N392-Q395 PolarHBondContact O-N 3.07Å; N392-Q395 PolarHBondContact OD1-N 2.69Å; Q395-L398 PolarHBondContact O-N 3.42Å; Q395-K399 WeakPolarHBondContact O-CB 3.4Å; Q395-K399 PolarHBondContact O-N 3.36Å
396F60.1Low52.1Low83 Ų8392.4 Ų92.436%0.36446%0.463SS..Hα-helixtrans-64.7-47.9172.9-169-99.7000110.7N392 L398 K399 R400 V433 T437N392-F396 PolarHBondContact O-N 3.32Å; F396-L398 PolarHBondContact O-N 2.87Å; F396-K399 PolarHBondContact O-N 3.4Å; F396-R400 WeakPolarHBondContact O-CB 3.46Å; F396-R400 PolarHBondContact O-N 2.9Å; F396-V433 HydrophobicContact CD1-CG1 4.21Å; F396-V433 HydrophobicContact CE1-CG1 3.8Å; F396-V433 HydrophobicContact CZ-CG1 4.28Å; F396-T437 HydrophobicContact CD1-CG2 4.4Å
397A58.5Low52.7Low7 Ų795 Ų956%0.05848%0.477CS..Hα-helixtrans-54.8-48.1170.600000111.8Y393 K399 R400 L401 T437Y393-A397 VanDerWaalsContact O-CB 3.3Å; Y393-A397 WeakPolarHBondContact O-CB 3.3Å; Y393-A397 PolarHBondContact O-N 2.87Å; A397-K399 PolarHBondContact O-N 3.03Å; A397-R400 PolarHBondContact O-N 2.98Å; A397-L401 VanDerWaalsContact O-CB 3.32Å; A397-L401 WeakPolarHBondContact O-CB 3.45Å; A397-L401 VanDerWaalsContact O-CG 3.26Å; A397-L401 WeakPolarHBondContact O-CG 3.41Å; A397-L401 PolarHBondContact O-N 3.17Å; A397-T437 HydrophobicContact CB-CG2 3.73Å
398L62.3Low53.6Low87 Ų8795 Ų9546%0.45547%0.47SS..Hα-helixtrans-66.4-35.3178.7-73.1175.2000112.9L394 Q395 F396 L401 K402L394-L398 HydrophobicContact CD2-CD1 3.64Å; L394-L398 HydrophobicContact CD2-CG 4.27Å; L394-L398 WeakPolarHBondContact O-CB 3.38Å; L394-L398 WeakPolarHBondContact O-CG 3.34Å; L394-L398 PolarHBondContact O-N 3.21Å; Q395-L398 PolarHBondContact O-N 3.42Å; F396-L398 PolarHBondContact O-N 2.87Å; L398-L401 HydrophobicContact CD2-CD1 4.46Å; L398-K402 WeakPolarHBondContact O-CB 3.43Å; L398-K402 WeakPolarHBondContact O-CG 3.36Å; L398-K402 PolarHBondContact O-N 3.42Å
399K62.6Low54.1Low106 Ų10694.5 Ų94.546%0.46145%0.451SS..Hα-helixtrans-65.3-47.3173.6-169.7-178.5178.7-179.70110.2Q395 F396 A397 L401 K402 Q403Q395-K399 WeakPolarHBondContact O-CB 3.4Å; Q395-K399 PolarHBondContact O-N 3.36Å; F396-K399 PolarHBondContact O-N 3.4Å; A397-K399 PolarHBondContact O-N 3.03Å; K399-L401 PolarHBondContact O-N 3.41Å; K399-K402 WeakPolarHBondContact O-CB 3.28Å; K399-K402 PolarHBondContact O-N 3.36Å; K399-K402 VanDerWaalsContact O-N 3.16Å; K399-Q403 WeakPolarHBondContact O-CG 3.5Å; K399-Q403 PolarHBondContact O-N 3.45Å
400R57.9Low54.5Low89 Ų8990.5 Ų90.534%0.33643%0.429SS..Hα-helixtrans-60.8-42.4175.7-164.1-176.6-163.8154.15112.5F396 A397 K402 Q403 E434F396-R400 WeakPolarHBondContact O-CB 3.46Å; F396-R400 PolarHBondContact O-N 2.9Å; A397-R400 PolarHBondContact O-N 2.98Å; R400-K402 VanDerWaalsContact C-N 3.33Å; R400-K402 PolarHBondContact O-N 3.29Å; R400-Q403 CarbonylContact O-C 3.6Å; R400-Q403 PolarHBondContact O-N 2.96Å; R400-Q403 VanDerWaalsContact O-N 3.16Å; R400-E434 IonicContact CZ-OE1 2.72Å; R400-E434 IonicContact CZ-OE2 3.17Å; R400-E434 IonicContact NH1-OE1 2.99Å; R400-E434 PolarHBondContact NH1-OE1 2.82Å; R400-E434 IonicContact NH1-OE2 3.76Å; R400-E434 PolarHBondContact NH1-OE2 2.68Å; R400-E434 IonicContact NH2-OE1 3.6Å; R400-E434 PolarHBondContact NH2-OE1 2.82Å; R400-E434 IonicContact NH2-OE2 3.76Å
401L57.1Low54.7Low73 Ų7391.3 Ų91.338%0.38244%0.437SS..Hα-helixtrans-64.8-33.4174.8-77168.2000112.7A397 L398 K399 Y441A397-L401 VanDerWaalsContact O-CB 3.32Å; A397-L401 WeakPolarHBondContact O-CB 3.45Å; A397-L401 VanDerWaalsContact O-CG 3.26Å; A397-L401 WeakPolarHBondContact O-CG 3.41Å; A397-L401 PolarHBondContact O-N 3.17Å; L398-L401 HydrophobicContact CD2-CD1 4.46Å; K399-L401 PolarHBondContact O-N 3.41Å; L401-Y441 HydrophobicContact CD1-CD2 4.36Å; L401-Y441 HydrophobicContact CD1-CE2 3.75Å
402K58.9Low54.8Low182 Ų18294 Ų9479%0.79145%0.447SS*.Hα-helixtrans-73.4-29.3171.2-75176.5178.2-176.80113L398 K399 R400 K404L398-K402 WeakPolarHBondContact O-CB 3.43Å; L398-K402 WeakPolarHBondContact O-CG 3.36Å; L398-K402 PolarHBondContact O-N 3.42Å; K399-K402 WeakPolarHBondContact O-CB 3.28Å; K399-K402 PolarHBondContact O-N 3.36Å; K399-K402 VanDerWaalsContact O-N 3.16Å; R400-K402 VanDerWaalsContact C-N 3.33Å; R400-K402 PolarHBondContact O-N 3.29Å; K402-K404 VanDerWaalsContact C-N 3.32Å; K402-K404 PolarHBondContact O-N 3.21Å
403Q56.3Low55.3Low57 Ų5794.5 Ų94.527%0.26645%0.451SS..THydrogen-bonded Turntrans-89.820.5-178.3-70.5-178.9-61.100114.3K399 R400 T405 K406K399-Q403 WeakPolarHBondContact O-CG 3.5Å; K399-Q403 PolarHBondContact O-N 3.45Å; R400-Q403 CarbonylContact O-C 3.6Å; R400-Q403 PolarHBondContact O-N 2.96Å; R400-Q403 VanDerWaalsContact O-N 3.16Å; Q403-T405 PolarHBondContact O-N 3.48Å; Q403-K406 PolarHBondContact O-N 3.12Å; Q403-K406 VanDerWaalsContact O-N 3.14Å
404K51.1Low55.9Low170 Ų17095.2 Ų95.274%0.73946%0.456SS*.THydrogen-bonded Turntrans-64.315.9-175.2-122.2-178.2-178-176.60116.9K402K402-K404 VanDerWaalsContact C-N 3.32Å; K402-K404 PolarHBondContact O-N 3.21Å
405T49.6Very low56.9Low135 Ų13593.3 Ų93.383%0.82845%0.447SS*.THydrogen-bonded Turntrans-124.49.1177.542.40000113.7Q403Q403-T405 PolarHBondContact O-N 3.48Å
406K40.7Very low57.8Low153 Ų15389.5 Ų89.567%0.66543%0.43SS*.  trans-140.7109.2163.5-75.7-167.7176-172.20110.9Q403 Q408Q403-K406 PolarHBondContact O-N 3.12Å; Q403-K406 VanDerWaalsContact O-N 3.14Å; K406-Q408 PolarHBondContact O-N 2.82Å; K406-Q408 VanDerWaalsContact O-N 3.11Å
407E48.3Very low58.7Low210 Ų21087.5 Ų87.598%0.98143%0.426SS*.THydrogen-bonded Turntrans-76.48-178.3-64.4173.2132.400113.9
408Q50.4Low59.5Low112 Ų11287.2 Ų87.252%0.52342%0.423SS..THydrogen-bonded Turntrans-102.1-3.9-165.6-159.7169.813.400114.5K406 L410 S411 Q412K406-Q408 PolarHBondContact O-N 2.82Å; K406-Q408 VanDerWaalsContact O-N 3.11Å; Q408-L410 PolarHBondContact O-N 2.77Å; Q408-S411 PolarHBondContact O-N 3.16Å; Q408-S411 PolarHBondContact O-OG 3.4Å; Q408-Q412 HydrophobicContact CG-CG 4.49Å
409Y45.5Very low60Low101 Ų10183.4 Ų83.440%0.39640%0.403SS..SBendtrans-76.3-25-161.9-138.6-98.5000115.4
410L49.4Very low60.3Low41 Ų4180.6 Ų80.622%0.21540%0.404CS..SBendtrans-89.9-23.6175.5-165.666.3000112.2H288 Q408 Q412 T413H288-L410 PolarHBondContact NE2-O 2.72Å; Q408-L410 PolarHBondContact O-N 2.77Å; L410-Q412 PolarHBondContact O-N 3.14Å; L410-Q412 VanDerWaalsContact O-N 3.17Å; L410-T413 PolarHBondContact O-OG1 3.12Å; L410-T413 VanDerWaalsContact O-OG1 3.11Å
411S48.3Very low61.1Low59 Ų5976.7 Ų76.741%0.41339%0.39SS..THydrogen-bonded Turntrans-75.76.6179.6480000115.1Q408Q408-S411 PolarHBondContact O-N 3.16Å; Q408-S411 PolarHBondContact O-OG 3.4Å
412Q55.8Low62.2Low101 Ų10174.2 Ų74.247%0.47238%0.377SS..THydrogen-bonded Turntrans-127.6-6.4-176.7-63.8-177.8-63.300112.9Q408 L410 N414Q408-Q412 HydrophobicContact CG-CG 4.49Å; L410-Q412 PolarHBondContact O-N 3.14Å; L410-Q412 VanDerWaalsContact O-N 3.17Å; Q412-N414 PolarHBondContact O-N 3.13Å
413T67.7Low63.4Low54 Ų5465.5 Ų65.533%0.33134%0.339SS..  trans-86.3104.9179.347.40000110.6H288 L410 T415H288-T413 PolarHBondContact CE1-O 2.79Å; L410-T413 PolarHBondContact O-OG1 3.12Å; L410-T413 VanDerWaalsContact O-OG1 3.11Å; T413-T415 PolarHBondContact O-N 2.88Å
414N73.9Confident64.9Low28 Ų2863.7 Ų63.715%0.1533%0.331CS..SBendtrans-63-26.6178.7-80.7-12.9000114.1G290 A291 F295 Y373 Q412 Y425G290-N414 WeakPolarHBondContact CA-OD1 3.42Å; A291-N414 HydrophobicContact CB-CB 3.74Å; A291-N414 PolarHBondContact N-OD1 2.93Å; A291-N414 VanDerWaalsContact N-OD1 3.14Å; F295-N414 VanDerWaalsContact CZ-ND2 3.34Å; F295-N414 WeakPolarHBondContact CZ-ND2 3.46Å; Y373-N414 HydrophobicContact CE1-CB 3.94Å; Q412-N414 PolarHBondContact O-N 3.13Å; N414-Y425 PolarHBondContact O-N 3.17Å; N414-Y425 VanDerWaalsContact O-N 3.11Å
415T78.3Confident66.6Low21 Ų2156.3 Ų56.313%0.12930%0.298CS..EExtended strand (participates in β ladder)trans-114.5160.2175.265.50000111.9Y373 L374 I377 T413 E422 F423Y373-T415 HydrophobicContact CE1-CG2 3.89Å; L374-T415 HydrophobicContact CD1-CG2 3.92Å; I377-T415 HydrophobicContact CD1-CG2 4.09Å; T413-T415 PolarHBondContact O-N 2.88Å; T415-E422 VanDerWaalsContact CB-OE2 3.25Å; T415-E422 WeakPolarHBondContact CB-OE2 3.31Å; T415-E422 HydrophobicContact CG2-CB 4.39Å; T415-E422 PolarHBondContact OG1-OE2 2.72Å; T415-F423 CarbonylContact C-O 3.6Å; T415-F423 WeakPolarHBondContact CA-O 3.27Å; T415-F423 VanDerWaalsContact CB-O 3.24Å; T415-F423 WeakPolarHBondContact CB-O 3.37Å
416V80.3Confident68.4Low11 Ų1149.9 Ų49.97%0.06726%0.259CS..EExtended strand (participates in β ladder)trans-125.2121.5173.7179.90000108.2F423 Y425 A429 V433V416-F423 PolarHBondContact N-O 3.49Å; V416-F423 PolarHBondContact O-N 3.45Å; V416-Y425 HydrophobicContact CG2-CD2 3.71Å; V416-Y425 HydrophobicContact CG2-CE2 4.46Å; V416-Y425 HydrophobicContact CG2-CG 4.34Å; V416-A429 HydrophobicContact CB-CB 4.01Å; V416-A429 HydrophobicContact CG1-CB 3.95Å; V416-A429 HydrophobicContact CG2-CB 4.34Å; V416-V433 HydrophobicContact CG1-CB 4.5Å; V416-V433 HydrophobicContact CG1-CG2 3.41Å; V416-V433 VanDerWaalsContact CG1-CG2 3.41Å
417S78.9Confident70.7Confident40 Ų4045.1 Ų45.128%0.2824%0.237SC..EExtended strand (participates in β ladder)trans-79.9118.5179.7-151.90000110.6T421 E422S417-T421 WeakPolarHBondContact CA-O 3.17Å; S417-E422 WeakPolarHBondContact CA-OE1 3.41Å; S417-E422 WeakPolarHBondContact CB-OE1 3.44Å; S417-E422 PolarHBondContact N-OE2 2.72Å; S417-E422 PolarHBondContact OG-OE1 2.79Å
418L75.7Confident72.5Confident1 Ų135.9 Ų35.91%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-144.3135.6-177.1-147.269.1000109.7L249 G420 T421 F423 W432 V433L249-L418 HydrophobicContact CD1-CD2 4.02Å; L249-L418 HydrophobicContact CD2-CD2 4.37Å; L418-G420 PolarHBondContact O-N 3.36Å; L418-G420 VanDerWaalsContact O-N 3.11Å; L418-T421 PolarHBondContact N-O 2.62Å; L418-T421 PolarHBondContact O-N 3.3Å; L418-F423 HydrophobicContact CB-CD2 3.93Å; L418-F423 HydrophobicContact CB-CE2 4.07Å; L418-W432 HydrophobicContact CD1-CB 4.12Å; L418-W432 HydrophobicContact CD2-CB 3.99Å; L418-V433 HydrophobicContact CD1-CG2 3.61Å
419F73.4Confident74.2Confident7 Ų730.6 Ų30.63%0.03117%0.169CC..THydrogen-bonded Turntrans57.921.3-178.7-33.1-55.1000115.6I144 P197 L249 F423 L449I144-F419 HydrophobicContact CD1-CB 3.87Å; I144-F419 HydrophobicContact CD1-CD2 3.54Å; I144-F419 HydrophobicContact CD1-CG 4.1Å; I144-F419 HydrophobicContact CG1-CB 3.99Å; I144-F419 HydrophobicContact CG1-CD2 4.47Å; P197-F419 HydrophobicContact CG-CB 4.36Å; P197-F419 HydrophobicContact CG-CD1 3.61Å; P197-F419 HydrophobicContact CG-CD2 3.91Å; P197-F419 HydrophobicContact CG-CE1 3.83Å; P197-F419 HydrophobicContact CG-CE2 4.05Å; P197-F419 HydrophobicContact CG-CG 3.66Å; P197-F419 HydrophobicContact CG-CZ 4.02Å; L249-F419 HydrophobicContact CD1-CE2 3.77Å; L249-F419 HydrophobicContact CD1-CZ 4.27Å; F419-F423 AromaticContact CD2-CE2 3.88Å; F419-F423 HydrophobicContact CD2-CE2 3.88Å; F419-F423 HydrophobicContact CD2-CZ 4.23Å; F419-F423 HydrophobicContact CE2-CE2 4.18Å; F419-F423 HydrophobicContact CE2-CZ 4.44Å; F419-L449 HydrophobicContact CE1-CB 4.1Å; F419-L449 HydrophobicContact CE1-CD2 3.53Å; F419-L449 HydrophobicContact CE1-CG 3.47Å; F419-L449 VanDerWaalsContact CE1-CG 3.47Å; F419-L449 HydrophobicContact CZ-CD2 3.47Å; F419-L449 VanDerWaalsContact CZ-CD2 3.47Å; F419-L449 HydrophobicContact CZ-CG 3.8Å
420G68.5Low76.2Confident47 Ų4725.9 Ų25.949%0.48515%0.151SC..THydrogen-bonded Turntrans8112.7-174.900000115L418L418-G420 PolarHBondContact O-N 3.36Å; L418-G420 VanDerWaalsContact O-N 3.11Å
421T74.3Confident78Confident7 Ų724.6 Ų24.64%0.04315%0.148CC..EExtended strand (participates in β ladder)trans-132.8167172.8-162.70000111.2I144 S417 L418 F423I144-T421 HydrophobicContact CB-CG2 4.21Å; I144-T421 HydrophobicContact CD1-CG2 3.93Å; I144-T421 HydrophobicContact CG2-CG2 4.15Å; S417-T421 WeakPolarHBondContact CA-O 3.17Å; L418-T421 PolarHBondContact N-O 2.62Å; L418-T421 PolarHBondContact O-N 3.3Å; T421-F423 HydrophobicContact CG2-CD2 4.23Å; T421-F423 HydrophobicContact CG2-CE2 3.47Å; T421-F423 VanDerWaalsContact CG2-CE2 3.47Å; T421-F423 HydrophobicContact CG2-CZ 3.78Å
422E82Confident79.8Confident21 Ų2125 Ų2510%0.09814%0.14CC..EExtended strand (participates in β ladder)trans-96.4137.1178.5-62.8-5712600111.7L374 I377 R378 T415 S417L374-E422 HydrophobicContact CD1-CB 4.08Å; I377-E422 HydrophobicContact CB-CG 4.44Å; I377-E422 HydrophobicContact CG2-CG 3.62Å; R378-E422 PolarHBondContact NE-O 2.68Å; R378-E422 PolarHBondContact NH2-O 3.3Å; T415-E422 VanDerWaalsContact CB-OE2 3.25Å; T415-E422 WeakPolarHBondContact CB-OE2 3.31Å; T415-E422 HydrophobicContact CG2-CB 4.39Å; T415-E422 PolarHBondContact OG1-OE2 2.72Å; S417-E422 WeakPolarHBondContact CA-OE1 3.41Å; S417-E422 WeakPolarHBondContact CB-OE1 3.44Å; S417-E422 PolarHBondContact N-OE2 2.72Å; S417-E422 PolarHBondContact OG-OE1 2.79Å
423F84.2Confident81.1Confident0 Ų020.8 Ų20.80%012%0.121CC..EExtended strand (participates in β ladder)trans-116.7160.1165.6-63.6-88.9000109.6I144 M193 G247 L249 T415 V416 L418 F419 T421I144-F423 HydrophobicContact CD1-CE2 4.42Å; I144-F423 HydrophobicContact CD1-CZ 3.96Å; M193-F423 HydrophobicContact CE-CE1 4.35Å; G247-F423 CarbonylContact O-C 3.51Å; G247-F423 WeakPolarHBondContact O-CA 3.28Å; G247-F423 WeakPolarHBondContact O-CB 3.39Å; L249-F423 HydrophobicContact CD1-CZ 4.42Å; T415-F423 CarbonylContact C-O 3.6Å; T415-F423 WeakPolarHBondContact CA-O 3.27Å; T415-F423 VanDerWaalsContact CB-O 3.24Å; T415-F423 WeakPolarHBondContact CB-O 3.37Å; V416-F423 PolarHBondContact N-O 3.49Å; V416-F423 PolarHBondContact O-N 3.45Å; L418-F423 HydrophobicContact CB-CD2 3.93Å; L418-F423 HydrophobicContact CB-CE2 4.07Å; F419-F423 AromaticContact CD2-CE2 3.88Å; F419-F423 HydrophobicContact CD2-CE2 3.88Å; F419-F423 HydrophobicContact CD2-CZ 4.23Å; F419-F423 HydrophobicContact CE2-CE2 4.18Å; F419-F423 HydrophobicContact CE2-CZ 4.44Å; T421-F423 HydrophobicContact CG2-CD2 4.23Å; T421-F423 HydrophobicContact CG2-CE2 3.47Å; T421-F423 VanDerWaalsContact CG2-CE2 3.47Å; T421-F423 HydrophobicContact CG2-CZ 3.78Å
424L87Confident81.9Confident18 Ų1818.9 Ų18.99%0.09411%0.109CC..EExtended strand (participates in β ladder)trans-66.4152.6168.7-61.3174.9000110.3R246 G247 A291 I296 L374 S426R246-L424 WeakPolarHBondContact O-CD1 3.47Å; G247-L424 PolarHBondContact O-N 2.95Å; A291-L424 HydrophobicContact CB-CD2 4.23Å; I296-L424 HydrophobicContact CD1-CD1 3.78Å; I296-L424 HydrophobicContact CD1-CD2 4.07Å; L374-L424 HydrophobicContact CB-CD2 4.42Å; L374-L424 HydrophobicContact CD1-CD2 4.18Å; L374-L424 HydrophobicContact CD2-CD2 4.11Å; L374-L424 HydrophobicContact CD2-CG 3.97Å; L374-L424 HydrophobicContact CG-CD2 4.48Å; L424-S426 PolarHBondContact O-N 3.46Å; L424-S426 VanDerWaalsContact O-N 3.12Å
425Y86.5Confident82.5Confident15 Ų1517.8 Ų17.86%0.05910%0.103CC..  trans-59.6118.8176.6-174.7-81.3000111.8H288 N414 V416 C430 P481 P483H288-Y425 HydrophobicContact CB-CD1 3.72Å; H288-Y425 HydrophobicContact CB-CE1 3.35Å; H288-Y425 HydrophobicContact CB-CG 4.45Å; H288-Y425 AromaticContact CD2-CD2 3.66Å; H288-Y425 AromaticContact CD2-CE1 3.89Å; H288-Y425 AromaticContact CD2-CE2 3.43Å; H288-Y425 VanDerWaalsContact CD2-CE2 3.43Å; H288-Y425 WeakPolarHBondContact CD2-CE2 3.33Å; H288-Y425 AromaticContact CD2-CG 3.97Å; H288-Y425 AromaticContact CD2-CZ 3.56Å; H288-Y425 AromaticContact CE1-CD2 3.73Å; H288-Y425 AromaticContact CE1-CG 3.65Å; H288-Y425 AromaticContact CG-CD1 3.47Å; H288-Y425 VanDerWaalsContact CG-CD1 3.47Å; H288-Y425 AromaticContact CG-CD2 3.9Å; H288-Y425 AromaticContact CG-CE1 3.45Å; H288-Y425 VanDerWaalsContact CG-CE1 3.45Å; H288-Y425 AromaticContact CG-CE2 3.86Å; H288-Y425 AromaticContact CG-CG 3.72Å; H288-Y425 AromaticContact CG-CZ 3.64Å; H288-Y425 AromaticContact ND1-CD1 3.54Å; H288-Y425 AromaticContact ND1-CD2 3.93Å; H288-Y425 AromaticContact ND1-CG 3.5Å; H288-Y425 AromaticContact NE2-CD2 3.58Å; H288-Y425 AromaticContact NE2-CE2 3.79Å; H288-Y425 AromaticContact NE2-CG 3.96Å; N414-Y425 PolarHBondContact O-N 3.17Å; N414-Y425 VanDerWaalsContact O-N 3.11Å; V416-Y425 HydrophobicContact CG2-CD2 3.71Å; V416-Y425 HydrophobicContact CG2-CE2 4.46Å; V416-Y425 HydrophobicContact CG2-CG 4.34Å; Y425-C430 HydrophobicContact CE2-CB 3.81Å; Y425-C430 PolarHBondContact OH-SG 3.1Å; Y425-C430 VanDerWaalsContact OH-SG 3.33Å; Y425-P481 PolarHBondContact OH-O 3.32Å; Y425-P483 HydrophobicContact CD1-CB 4.35Å
426S88.1Confident82.7Confident0 Ų016.9 Ų16.90%010%0.097CC..  trans-129.7158.9162.1730000110.2E248 L424 E428 A429 C430E248-S426 WeakPolarHBondContact OE1-CB 3.47Å; L424-S426 PolarHBondContact O-N 3.46Å; L424-S426 VanDerWaalsContact O-N 3.12Å; S426-E428 PolarHBondContact O-N 3.23Å; S426-A429 PolarHBondContact O-N 3.41Å; S426-A429 PolarHBondContact OG-N 3.17Å; S426-C430 WeakPolarHBondContact O-CB 3.47Å; S426-C430 PolarHBondContact O-N 2.86Å
427R87.2Confident82.7Confident53 Ų5316.9 Ų16.920%0.210%0.097CC..Hα-helixtrans-62.1-29.7176.8-177.2171-179.1-139.7-6.3111Y254 G431 C480 L482Y254-R427 PolarHBondContact OH-NH1 3.47Å; R427-G431 PolarHBondContact O-N 2.86Å; R427-C480 WeakPolarHBondContact CD-O 3.44Å; R427-C480 HydrophobicContact CG-CB 4.28Å; R427-C480 WeakPolarHBondContact CG-O 3.41Å; R427-C480 PolarHBondContact NE-O 3.08Å; R427-L482 HydrophobicContact CB-CD2 4.03Å; R427-L482 HydrophobicContact CG-CD2 4.43Å
428E86.6Confident82.9Confident17 Ų1716.5 Ų16.58%0.0799%0.091CC..Hα-helixtrans-70.6-48.1176-60.693.5143.800112.2L249 S252 Y254 R256 S426 G431 W432L249-E428 HydrophobicContact CD2-CB 4.39Å; S252-E428 WeakPolarHBondContact CB-OE1 3.28Å; S252-E428 PolarHBondContact OG-OE1 3.03Å; Y254-E428 HydrophobicContact CD2-CG 4.37Å; Y254-E428 WeakPolarHBondContact CD2-OE1 3.37Å; Y254-E428 HydrophobicContact CE2-CG 4.38Å; R256-E428 IonicContact CZ-OE1 3.39Å; R256-E428 IonicContact CZ-OE2 2.67Å; R256-E428 IonicContact NE-OE1 3.18Å; R256-E428 PolarHBondContact NE-OE1 3.05Å; R256-E428 IonicContact NH1-OE1 3.36Å; R256-E428 PolarHBondContact NH1-OE1 3.1Å; R256-E428 IonicContact NH1-OE2 3.51Å; R256-E428 PolarHBondContact NH1-OE2 3.25Å; R256-E428 VanDerWaalsContact NH1-OE2 3.07Å; R256-E428 IonicContact NH2-OE1 2.68Å; S426-E428 PolarHBondContact O-N 3.23Å; E428-G431 PolarHBondContact O-N 3.22Å; E428-W432 PolarHBondContact O-N 3.36Å
429A86.7Confident83.3Confident0 Ų016.5 Ų16.50%09%0.091CC..Hα-helixtrans-63.2-43.5174.900000111.4V416 S426 W432 V433V416-A429 HydrophobicContact CB-CB 4.01Å; V416-A429 HydrophobicContact CG1-CB 3.95Å; V416-A429 HydrophobicContact CG2-CB 4.34Å; S426-A429 PolarHBondContact O-N 3.41Å; S426-A429 PolarHBondContact OG-N 3.17Å; A429-W432 PolarHBondContact O-N 2.97Å; A429-V433 PolarHBondContact O-N 2.67Å; A429-V433 VanDerWaalsContact O-N 3.1Å
430C87.8Confident83.6Confident3 Ų316.7 Ų16.72%0.029%0.094CC..Hα-helixtrans-56.4-49.9172.2-176.10000111.3Y425 S426 W432 V433 E434 C480Y425-C430 HydrophobicContact CE2-CB 3.81Å; Y425-C430 PolarHBondContact OH-SG 3.1Å; Y425-C430 VanDerWaalsContact OH-SG 3.33Å; S426-C430 WeakPolarHBondContact O-CB 3.47Å; S426-C430 PolarHBondContact O-N 2.86Å; C430-W432 VanDerWaalsContact C-N 3.31Å; C430-W432 PolarHBondContact O-N 2.96Å; C430-V433 PolarHBondContact O-N 2.95Å; C430-V433 VanDerWaalsContact O-N 3.14Å; C430-E434 WeakPolarHBondContact O-CG 3.34Å; C430-E434 PolarHBondContact O-N 2.89Å; C430-C480 HydrophobicContact CB-CB 3.84Å; C430-C480 WeakPolarHBondContact CB-SG 3.38Å; C430-C480 VanDerWaalsContact SG-CA 3.54Å; C430-C480 WeakPolarHBondContact SG-CB 3.35Å; C430-C480 CovalentContact SG-SG 2.04Å; C430-C480 PolarHBondContact SG-SG 3.18Å
431G87.9Confident84.2Confident14 Ų1420.8 Ų20.814%0.14410%0.096CC..Hα-helixtrans-60-37.4179.700000113.5R427 E428 C435 I475R427-G431 PolarHBondContact O-N 2.86Å; E428-G431 PolarHBondContact O-N 3.22Å; G431-C435 VanDerWaalsContact O-CB 3.32Å; G431-C435 WeakPolarHBondContact O-CB 3.43Å; G431-C435 PolarHBondContact O-N 2.94Å; G431-I475 WeakPolarHBondContact O-CD1 3.2Å
432W84.4Confident84.6Confident67 Ų6726.1 Ų26.125%0.25412%0.12SC..Hα-helixtrans-67.6-42.4173.5-76.5116.1000112.8I199 L418 E428 A429 C430 C435 C436 L449I199-W432 HydrophobicContact CD1-CH2 3.74Å; I199-W432 HydrophobicContact CD1-CZ2 4.38Å; L418-W432 HydrophobicContact CD1-CB 4.12Å; L418-W432 HydrophobicContact CD2-CB 3.99Å; E428-W432 PolarHBondContact O-N 3.36Å; A429-W432 PolarHBondContact O-N 2.97Å; C430-W432 VanDerWaalsContact C-N 3.31Å; C430-W432 PolarHBondContact O-N 2.96Å; W432-C435 PolarHBondContact O-N 3.04Å; W432-C436 WeakPolarHBondContact O-CB 3.27Å; W432-C436 PolarHBondContact O-N 3.04Å; W432-C436 PolarHBondContact O-SG 2.74Å; W432-L449 HydrophobicContact CD2-CD2 3.5Å; W432-L449 HydrophobicContact CE3-CD2 3.66Å; W432-L449 HydrophobicContact CG-CD2 3.93Å; W432-L449 HydrophobicContact CH2-CD2 4.29Å; W432-L449 HydrophobicContact CZ2-CD2 4.16Å; W432-L449 HydrophobicContact CZ3-CD2 4.05Å
433V83.6Confident84.6Confident12 Ų1226.3 Ų26.37%0.07312%0.123CC..Hα-helixtrans-61.2-46173.6175.40000111.2Y393 F396 V416 L418 A429 C430 C435 C436 T437Y393-V433 HydrophobicContact CD1-CG1 4.49Å; F396-V433 HydrophobicContact CD1-CG1 4.21Å; F396-V433 HydrophobicContact CE1-CG1 3.8Å; F396-V433 HydrophobicContact CZ-CG1 4.28Å; V416-V433 HydrophobicContact CG1-CB 4.5Å; V416-V433 HydrophobicContact CG1-CG2 3.41Å; V416-V433 VanDerWaalsContact CG1-CG2 3.41Å; L418-V433 HydrophobicContact CD1-CG2 3.61Å; A429-V433 PolarHBondContact O-N 2.67Å; A429-V433 VanDerWaalsContact O-N 3.1Å; C430-V433 PolarHBondContact O-N 2.95Å; C430-V433 VanDerWaalsContact O-N 3.14Å; V433-C435 PolarHBondContact O-N 3.27Å; V433-C436 PolarHBondContact O-N 3Å; V433-T437 WeakPolarHBondContact O-CB 3.42Å; V433-T437 PolarHBondContact O-N 3.04Å; V433-T437 PolarHBondContact O-OG1 2.98Å
434E85.3Confident84.4Confident15 Ų1532.7 Ų32.77%0.0716%0.157CC..Hα-helixtrans-60.8-44.3177-67.7-56.9154.700111.9R400 C430 T437 K438 I475 T479 C480R400-E434 IonicContact CZ-OE1 2.72Å; R400-E434 IonicContact CZ-OE2 3.17Å; R400-E434 IonicContact NH1-OE1 2.99Å; R400-E434 PolarHBondContact NH1-OE1 2.82Å; R400-E434 IonicContact NH1-OE2 3.76Å; R400-E434 PolarHBondContact NH1-OE2 2.68Å; R400-E434 IonicContact NH2-OE1 3.6Å; R400-E434 PolarHBondContact NH2-OE1 2.82Å; R400-E434 IonicContact NH2-OE2 3.76Å; C430-E434 WeakPolarHBondContact O-CG 3.34Å; C430-E434 PolarHBondContact O-N 2.89Å; E434-T437 PolarHBondContact O-N 2.81Å; E434-K438 PolarHBondContact O-N 2.9Å; E434-I475 HydrophobicContact CB-CD1 3.99Å; E434-I475 HydrophobicContact CB-CG1 4.43Å; E434-I475 HydrophobicContact CB-CG2 4.21Å; E434-I475 HydrophobicContact CG-CG2 4.25Å; E434-T479 VanDerWaalsContact CD-CG2 3.47Å; E434-T479 HydrophobicContact CG-CG2 3.86Å; E434-C480 WeakPolarHBondContact CG-SG 3.48Å
435C85.5Confident83.7Confident4 Ų432.7 Ų32.73%0.02716%0.159CC..Hα-helixtrans-59.9-53.6176.5175.90000111.8G431 W432 V433 T437 K438 V439 C470 I475G431-C435 VanDerWaalsContact O-CB 3.32Å; G431-C435 WeakPolarHBondContact O-CB 3.43Å; G431-C435 PolarHBondContact O-N 2.94Å; W432-C435 PolarHBondContact O-N 3.04Å; V433-C435 PolarHBondContact O-N 3.27Å; C435-T437 PolarHBondContact O-N 3Å; C435-K438 PolarHBondContact O-N 2.99Å; C435-K438 VanDerWaalsContact O-N 3.14Å; C435-V439 WeakPolarHBondContact O-CG2 3.45Å; C435-V439 PolarHBondContact O-N 2.66Å; C435-C470 WeakPolarHBondContact CA-SG 3.12Å; C435-C470 HydrophobicContact CB-CB 3.81Å; C435-C470 WeakPolarHBondContact CB-SG 3.35Å; C435-C470 WeakPolarHBondContact SG-CB 3.12Å; C435-C470 CovalentContact SG-SG 2.04Å; C435-C470 PolarHBondContact SG-SG 3.11Å; C435-I475 HydrophobicContact CB-CD1 4.36Å
436C82.3Confident83Confident2 Ų232.7 Ų32.71%0.01416%0.16CC..Hα-helixtrans-63.2-30.3179.1-61.30000112Y393 W432 V433 A440 C447Y393-C436 HydrophobicContact CD1-CB 3.61Å; Y393-C436 HydrophobicContact CD2-CB 4.18Å; Y393-C436 HydrophobicContact CE1-CB 3.6Å; Y393-C436 HydrophobicContact CE2-CB 4.2Å; Y393-C436 HydrophobicContact CG-CB 3.89Å; W432-C436 WeakPolarHBondContact O-CB 3.27Å; W432-C436 PolarHBondContact O-N 3.04Å; W432-C436 PolarHBondContact O-SG 2.74Å; V433-C436 PolarHBondContact O-N 3Å; C436-A440 WeakPolarHBondContact O-CB 3.35Å; C436-A440 PolarHBondContact O-N 3.23Å; C436-C447 HydrophobicContact CB-CB 3.79Å; C436-C447 WeakPolarHBondContact CB-SG 3.3Å; C436-C447 WeakPolarHBondContact SG-CB 3.31Å; C436-C447 CovalentContact SG-SG 2.04Å; C436-C447 PolarHBondContact SG-SG 3.46Å
437T81.6Confident82.4Confident11 Ų1132.7 Ų32.77%0.06716%0.16CC..Hα-helixtrans-68.3-45.4172.1-57.60000112.2F396 A397 V433 E434 C435 Y441F396-T437 HydrophobicContact CD1-CG2 4.4Å; A397-T437 HydrophobicContact CB-CG2 3.73Å; V433-T437 WeakPolarHBondContact O-CB 3.42Å; V433-T437 PolarHBondContact O-N 3.04Å; V433-T437 PolarHBondContact O-OG1 2.98Å; E434-T437 PolarHBondContact O-N 2.81Å; C435-T437 PolarHBondContact O-N 3Å; T437-Y441 WeakPolarHBondContact O-CB 3.5Å; T437-Y441 PolarHBondContact O-N 3.15Å
438K83.3Confident81.6Confident32 Ų3230.5 Ų30.514%0.13915%0.153CC..Hα-helixtrans-62-46.7173.6-74.6-171.2-172.3-1750111.7E434 C435 A440 Y441 H442 Q469 E473E434-K438 PolarHBondContact O-N 2.9Å; C435-K438 PolarHBondContact O-N 2.99Å; C435-K438 VanDerWaalsContact O-N 3.14Å; K438-A440 PolarHBondContact O-N 2.88Å; K438-Y441 PolarHBondContact O-N 3.04Å; K438-Y441 VanDerWaalsContact O-N 3.15Å; K438-H442 WeakPolarHBondContact O-CB 3.46Å; K438-H442 PolarHBondContact O-CD2 2.83Å; K438-H442 PolarHBondContact O-N 3.16Å; K438-Q469 HydrophobicContact CB-CB 4.33Å; K438-Q469 WeakPolarHBondContact CD-O 3.46Å; K438-Q469 PolarHBondContact NZ-O 2.9Å; K438-Q469 VanDerWaalsContact NZ-O 3.1Å; K438-E473 VanDerWaalsContact NZ-CD 3.35Å; K438-E473 PolarHBondContact NZ-O 3.47Å; K438-E473 IonicContact NZ-OE1 3.07Å; K438-E473 PolarHBondContact NZ-OE1 3.32Å
439V82.6Confident80.7Confident1 Ų130 Ų301%0.00615%0.151CC..Iπ-helixtrans-63.5-41.6-1801730000111.2C435 Y441 C443 N444 C445 E466 Q469C435-V439 WeakPolarHBondContact O-CG2 3.45Å; C435-V439 PolarHBondContact O-N 2.66Å; V439-Y441 VanDerWaalsContact C-N 3.32Å; V439-Y441 PolarHBondContact O-N 2.04Å; V439-C443 HydrophobicContact CG1-CB 4.2Å; V439-C443 WeakPolarHBondContact O-CA 3.31Å; V439-C443 WeakPolarHBondContact O-CB 3.37Å; V439-C443 PolarHBondContact O-N 3.14Å; V439-N444 PolarHBondContact O-N 3.13Å; V439-C445 HydrophobicContact CG1-CB 3.87Å; V439-C445 PolarHBondContact O-N 3.31Å; V439-E466 HydrophobicContact CG2-CB 3.94Å; V439-E466 HydrophobicContact CG2-CG 3.98Å; V439-Q469 HydrophobicContact CG2-CB 4.4Å
440A81Confident79.7Confident12 Ų1230.2 Ų30.210%0.09915%0.152CC..Iπ-helixtrans-63.7-35.2173.700000113L394 C436 K438 N444 C445L394-A440 HydrophobicContact CB-CB 4.29Å; C436-A440 WeakPolarHBondContact O-CB 3.35Å; C436-A440 PolarHBondContact O-N 3.23Å; K438-A440 PolarHBondContact O-N 2.88Å; A440-N444 WeakPolarHBondContact O-CA 3.33Å; A440-C445 VanDerWaalsContact CA-O 3.28Å; A440-C445 WeakPolarHBondContact CA-O 3.32Å; A440-C445 PolarHBondContact N-O 3.23Å
441Y80.3Confident78.3Confident133 Ų13330.3 Ų30.352%0.52215%0.152SC..Iπ-helixtrans-82.5-46-178.2-173.5-105.1000114L401 T437 K438 V439L401-Y441 HydrophobicContact CD1-CD2 4.36Å; L401-Y441 HydrophobicContact CD1-CE2 3.75Å; T437-Y441 WeakPolarHBondContact O-CB 3.5Å; T437-Y441 PolarHBondContact O-N 3.15Å; K438-Y441 PolarHBondContact O-N 3.04Å; K438-Y441 VanDerWaalsContact O-N 3.15Å; V439-Y441 VanDerWaalsContact C-N 3.32Å; V439-Y441 PolarHBondContact O-N 2.04Å
442H83.7Confident77Confident118 Ų11830.1 Ų30.155%0.54615%0.148SC..Iπ-helixtrans-90.4-39.8-174.4-69.9-74.6000113.5K438 Q469K438-H442 WeakPolarHBondContact O-CB 3.46Å; K438-H442 PolarHBondContact O-CD2 2.83Å; K438-H442 PolarHBondContact O-N 3.16Å; H442-Q469 HydrophobicContact CB-CG 4.46Å; H442-Q469 PolarHBondContact CD2-OE1 3.17Å
443C81.6Confident75.7Confident25 Ų2528.1 Ų28.117%0.16914%0.144CC..Iπ-helixtrans-89.7-19.6-179.2-44.50000112.2V439 C445 C465V439-C443 HydrophobicContact CG1-CB 4.2Å; V439-C443 WeakPolarHBondContact O-CA 3.31Å; V439-C443 WeakPolarHBondContact O-CB 3.37Å; V439-C443 PolarHBondContact O-N 3.14Å; C443-C445 HydrophobicContact CB-CB 3.81Å; C443-C445 VanDerWaalsContact CB-SG 3.53Å; C443-C445 PolarHBondContact O-N 3.1Å; C443-C445 PolarHBondContact O-SG 2.9Å; C443-C465 HydrophobicContact CB-CB 3.89Å; C443-C465 WeakPolarHBondContact CB-SG 3.43Å; C443-C465 WeakPolarHBondContact SG-CB 3.05Å; C443-C465 CovalentContact SG-SG 2.03Å; C443-C465 PolarHBondContact SG-SG 2.8Å
444N78.4Confident74.4Confident134 Ų13428.4 Ų28.472%0.71715%0.145SC*.SBendtrans57.335.8-165.8-164.430.8000112.4V439 A440V439-N444 PolarHBondContact O-N 3.13Å; A440-N444 WeakPolarHBondContact O-CA 3.33Å
445C73.1Confident72.7Confident19 Ų1932.6 Ų32.613%0.12817%0.168CC..SBendtrans-121158.5-173.3-62.70000111.4V439 A440 C443 H462V439-C445 HydrophobicContact CG1-CB 3.87Å; V439-C445 PolarHBondContact O-N 3.31Å; A440-C445 VanDerWaalsContact CA-O 3.28Å; A440-C445 WeakPolarHBondContact CA-O 3.32Å; A440-C445 PolarHBondContact N-O 3.23Å; C443-C445 HydrophobicContact CB-CB 3.81Å; C443-C445 VanDerWaalsContact CB-SG 3.53Å; C443-C445 PolarHBondContact O-N 3.1Å; C443-C445 PolarHBondContact O-SG 2.9Å; C445-H462 WeakPolarHBondContact CB-ND1 3.43Å; C445-H462 VanDerWaalsContact SG-CD2 3.58Å; C445-H462 PolarHBondContact SG-CE1 2.96Å; C445-H462 PolarHBondContact SG-NE2 2.87Å; C445-H462 VanDerWaalsContact SG-NE2 3.37Å
446T72.4Confident71.1Confident14 Ų1437.7 Ų37.79%0.08619%0.186CC..  trans-77.1147.5157.446.90000110.3R456T446-R456 HydrophobicContact CG2-CB 3.96Å; T446-R456 HydrophobicContact CG2-CG 4.32Å
447C75.3Confident69.5Low0 Ų043 Ų430%022%0.219CC..  trans-71.8161.8173.262.40000112.1C436 L449 D450 L451 E466C436-C447 HydrophobicContact CB-CB 3.79Å; C436-C447 WeakPolarHBondContact CB-SG 3.3Å; C436-C447 WeakPolarHBondContact SG-CB 3.31Å; C436-C447 CovalentContact SG-SG 2.04Å; C436-C447 PolarHBondContact SG-SG 3.46Å; C447-L449 PolarHBondContact O-N 2.93Å; C447-D450 PolarHBondContact O-N 3.43Å; C447-D450 PolarHBondContact SG-OD2 2.72Å; C447-L451 PolarHBondContact O-N 2.72Å; C447-L451 VanDerWaalsContact O-N 3.16Å; C447-E466 WeakPolarHBondContact CA-OE2 3.32Å; C447-E466 WeakPolarHBondContact CB-OE2 3.47Å
448T69.6Low68Low7 Ų743.6 Ų43.64%0.04323%0.225CC..Hα-helixtrans-63.5-26.2-176.865.50000113.2L451 F463 E466T448-L451 WeakPolarHBondContact O-CB 3.45Å; T448-L451 PolarHBondContact O-N 3.17Å; T448-F463 HydrophobicContact CG2-CD1 3.53Å; T448-F463 HydrophobicContact CG2-CE1 3.41Å; T448-F463 VanDerWaalsContact CG2-CE1 3.41Å; T448-F463 HydrophobicContact CG2-CZ 4.32Å; T448-E466 WeakPolarHBondContact CB-OE1 3.42Å; T448-E466 WeakPolarHBondContact CG2-OE1 3.3Å; T448-E466 PolarHBondContact N-OE2 3.38Å; T448-E466 PolarHBondContact OG1-OE1 2.83Å
449L67.7Low66.5Low7 Ų747.6 Ų47.64%0.03725%0.247CC..Hα-helixtrans-77.1-33.1179.4-144.862.8000112.2I199 F419 W432 C447I199-L449 HydrophobicContact CD1-CD1 4Å; I199-L449 HydrophobicContact CG1-CD1 3.56Å; F419-L449 HydrophobicContact CE1-CB 4.1Å; F419-L449 HydrophobicContact CE1-CD2 3.53Å; F419-L449 HydrophobicContact CE1-CG 3.47Å; F419-L449 VanDerWaalsContact CE1-CG 3.47Å; F419-L449 HydrophobicContact CZ-CD2 3.47Å; F419-L449 VanDerWaalsContact CZ-CD2 3.47Å; F419-L449 HydrophobicContact CZ-CG 3.8Å; W432-L449 HydrophobicContact CD2-CD2 3.5Å; W432-L449 HydrophobicContact CE3-CD2 3.66Å; W432-L449 HydrophobicContact CG-CD2 3.93Å; W432-L449 HydrophobicContact CH2-CD2 4.29Å; W432-L449 HydrophobicContact CZ2-CD2 4.16Å; W432-L449 HydrophobicContact CZ3-CD2 4.05Å; C447-L449 PolarHBondContact O-N 2.93Å
450D66.7Low65.1Low4 Ų455.7 Ų55.72%0.02129%0.285CS..Hα-helixtrans-73.6-27.9170.1-69-32.2000112.8Y393 C447 L452 S453 I454Y393-D450 VanDerWaalsContact CE2-CG 3.46Å; Y393-D450 VanDerWaalsContact CE2-OD1 3.29Å; Y393-D450 WeakPolarHBondContact CE2-OD1 3.41Å; Y393-D450 WeakPolarHBondContact CE2-OD2 3.36Å; Y393-D450 PolarHBondContact OH-OD1 3.02Å; C447-D450 PolarHBondContact O-N 3.43Å; C447-D450 PolarHBondContact SG-OD2 2.72Å; D450-L452 PolarHBondContact O-N 2.83Å; D450-L452 VanDerWaalsContact O-N 3.11Å; D450-S453 CarbonylContact O-C 3.46Å; D450-S453 WeakPolarHBondContact O-CA 3.41Å; D450-S453 PolarHBondContact O-N 2.87Å; D450-I454 HydrophobicContact CB-CD1 3.96Å; D450-I454 HydrophobicContact CB-CG1 4.45Å; D450-I454 PolarHBondContact O-N 3.31Å
451L59.1Low63.9Low6 Ų659.2 Ų59.23%0.03131%0.305CS..Hα-helixtrans-55.8-32.2-173.6-172157.9000112.3R130 C447 T448 A458 F463R130-L451 PolarHBondContact NH2-O 2.85Å; C447-L451 PolarHBondContact O-N 2.72Å; C447-L451 VanDerWaalsContact O-N 3.16Å; T448-L451 WeakPolarHBondContact O-CB 3.45Å; T448-L451 PolarHBondContact O-N 3.17Å; L451-A458 HydrophobicContact CD1-CB 3.48Å; L451-A458 VanDerWaalsContact CD1-CB 3.48Å; L451-A458 HydrophobicContact CG-CB 4.28Å; L451-F463 HydrophobicContact CD1-CZ 4.34Å
452L59Low63.1Low10 Ų1053.9 Ų53.95%0.05229%0.285CS..THydrogen-bonded Turntrans-66.9-40.3173.4-69.2169.6000112.4W120 M126 R130 P197 F202 D450W120-L452 HydrophobicContact CB-CD2 4.1Å; W120-L452 HydrophobicContact CG-CD2 4.29Å; M126-L452 HydrophobicContact CE-CD2 4.37Å; R130-L452 PolarHBondContact NH2-O 3.31Å; P197-L452 HydrophobicContact CB-CB 4.05Å; P197-L452 HydrophobicContact CB-CD1 3.64Å; P197-L452 HydrophobicContact CB-CG 4.49Å; F202-L452 HydrophobicContact CD2-CD2 3.78Å; F202-L452 HydrophobicContact CE2-CD2 3.76Å; D450-L452 PolarHBondContact O-N 2.83Å; D450-L452 VanDerWaalsContact O-N 3.11Å
453S57.5Low62.3Low24 Ų2451.6 Ų51.617%0.16827%0.274CS..THydrogen-bonded Turntrans-79.9-38.9179.7173.80000113.5D450D450-S453 CarbonylContact O-C 3.46Å; D450-S453 WeakPolarHBondContact O-CA 3.41Å; D450-S453 PolarHBondContact O-N 2.87Å
454I56.6Low61.7Low18 Ų1856.3 Ų56.39%0.09230%0.296CS..  trans-110.8135-163.1-52.5177.6000112.7R130 T390 D450 R456R130-I454 PolarHBondContact NH1-O 3.36Å; R130-I454 PolarHBondContact NH2-O 2.04Å; T390-I454 HydrophobicContact CG2-CD1 3.65Å; T390-I454 HydrophobicContact CG2-CG1 3.9Å; T390-I454 HydrophobicContact CG2-CG2 4.17Å; D450-I454 HydrophobicContact CB-CD1 3.96Å; D450-I454 HydrophobicContact CB-CG1 4.45Å; D450-I454 PolarHBondContact O-N 3.31Å; I454-R456 VanDerWaalsContact C-N 3.35Å; I454-R456 HydrophobicContact CG2-CB 4.17Å; I454-R456 HydrophobicContact CG2-CG 3.77Å; I454-R456 PolarHBondContact O-N 2.74Å
455N49.2Very low61.7Low104 Ų10451.6 Ų51.656%0.55627%0.274SS*.  trans-76.382.5162.6-179.80.8000110.5K123K123-N455 PolarHBondContact NZ-OD1 2.9Å
456R51.7Low61.8Low111 Ų11151.5 Ų51.542%0.41927%0.271SS..  trans-129.8153166.6-82.2-179.7-173.5-1749110.7K123 T446 I454 A458K123-R456 VanDerWaalsContact CE-C 3.47Å; K123-R456 WeakPolarHBondContact CE-O 3.22Å; T446-R456 HydrophobicContact CG2-CB 3.96Å; T446-R456 HydrophobicContact CG2-CG 4.32Å; I454-R456 VanDerWaalsContact C-N 3.35Å; I454-R456 HydrophobicContact CG2-CB 4.17Å; I454-R456 HydrophobicContact CG2-CG 3.77Å; I454-R456 PolarHBondContact O-N 2.74Å; R456-A458 PolarHBondContact O-N 3.43Å
457T48.4Very low62.1Low113 Ų11354.8 Ų54.869%0.69328%0.282SS*.  trans-63.3113.9-175.644.20000111.2H462T457-H462 PolarHBondContact O-CE1 3.11Å
458A50.8Low62.2Low24 Ų2457.4 Ų57.420%0.19830%0.298CS..  trans-103.6112.4168.200000109.8K123 L451 R456K123-A458 HydrophobicContact CB-CB 4.23Å; K123-A458 HydrophobicContact CG-CB 4.29Å; L451-A458 HydrophobicContact CD1-CB 3.48Å; L451-A458 VanDerWaalsContact CD1-CB 3.48Å; L451-A458 HydrophobicContact CG-CB 4.28Å; R456-A458 PolarHBondContact O-N 3.43Å
459L52.4Low62.7Low115 Ų11558.6 Ų58.660%0.60230%0.303SS*.  trans-88.7153.7166.7-157.670.5000108.9T461 H462L459-T461 HydrophobicContact CD2-CG2 4.41Å; L459-T461 PolarHBondContact O-N 2.77Å; L459-H462 PolarHBondContact N-CD2 3.35Å; L459-H462 PolarHBondContact N-NE2 3.41Å; L459-H462 VanDerWaalsContact N-NE2 3.15Å; L459-H462 VanDerWaalsContact O-CB 3.3Å; L459-H462 WeakPolarHBondContact O-CB 3.38Å; L459-H462 PolarHBondContact O-CD2 3.37Å; L459-H462 VanDerWaalsContact O-CG 3.25Å; L459-H462 PolarHBondContact O-N 2.87Å
460Q52.9Low63.4Low171 Ų17159.1 Ų59.180%0.79931%0.307SS*.THydrogen-bonded Turntrans-60-22.4-177.5-72.6173.8-2600113.7H462Q460-H462 PolarHBondContact O-N 2.98Å
461T55.5Low63.8Low87 Ų8761.9 Ų61.953%0.53432%0.32SS..Hα-helixtrans-62.5-18.9173.2520000114.4L459 F463 L464 C465L459-T461 HydrophobicContact CD2-CG2 4.41Å; L459-T461 PolarHBondContact O-N 2.77Å; T461-F463 PolarHBondContact O-N 3.13Å; T461-L464 PolarHBondContact O-N 2.58Å; T461-C465 PolarHBondContact O-N 2.9Å; T461-C465 VanDerWaalsContact O-N 3.17Å
462H64.6Low64.6Low20 Ų2066.2 Ų66.29%0.09334%0.343CS..Hα-helixtrans-62.5-42.5-176.1-72.3-140.9000112.1C445 T457 L459 Q460 L464 C465 E466C445-H462 WeakPolarHBondContact CB-ND1 3.43Å; C445-H462 VanDerWaalsContact SG-CD2 3.58Å; C445-H462 PolarHBondContact SG-CE1 2.96Å; C445-H462 PolarHBondContact SG-NE2 2.87Å; C445-H462 VanDerWaalsContact SG-NE2 3.37Å; T457-H462 PolarHBondContact O-CE1 3.11Å; L459-H462 PolarHBondContact N-CD2 3.35Å; L459-H462 PolarHBondContact N-NE2 3.41Å; L459-H462 VanDerWaalsContact N-NE2 3.15Å; L459-H462 VanDerWaalsContact O-CB 3.3Å; L459-H462 WeakPolarHBondContact O-CB 3.38Å; L459-H462 PolarHBondContact O-CD2 3.37Å; L459-H462 VanDerWaalsContact O-CG 3.25Å; L459-H462 PolarHBondContact O-N 2.87Å; Q460-H462 PolarHBondContact O-N 2.98Å; H462-L464 VanDerWaalsContact C-N 3.34Å; H462-L464 PolarHBondContact O-N 3.2Å; H462-C465 PolarHBondContact O-N 2.81Å; H462-E466 PolarHBondContact O-N 2.87Å
463F66.1Low65.3Low71 Ų7170.9 Ų70.931%0.31137%0.365SS..Hα-helixtrans-63.2-39.4-179-62.8-82.3000112.4F121 T448 L451 T461 R467F121-F463 HydrophobicContact CB-CE1 4.23Å; F121-F463 HydrophobicContact CB-CZ 3.77Å; F121-F463 AromaticContact CD1-CE1 3.53Å; F121-F463 HydrophobicContact CD1-CE1 3.53Å; F121-F463 AromaticContact CD1-CZ 3.72Å; F121-F463 HydrophobicContact CD1-CZ 3.72Å; F121-F463 HydrophobicContact CE1-CE1 4.16Å; F121-F463 AromaticContact CG-CE1 3.99Å; F121-F463 HydrophobicContact CG-CE1 3.99Å; F121-F463 HydrophobicContact CG-CZ 4.01Å; T448-F463 HydrophobicContact CG2-CD1 3.53Å; T448-F463 HydrophobicContact CG2-CE1 3.41Å; T448-F463 VanDerWaalsContact CG2-CE1 3.41Å; T448-F463 HydrophobicContact CG2-CZ 4.32Å; L451-F463 HydrophobicContact CD1-CZ 4.34Å; T461-F463 PolarHBondContact O-N 3.13Å; F463-R467 WeakPolarHBondContact O-CB 3.32Å; F463-R467 PolarHBondContact O-N 3.06Å
464L69.4Low66.3Low123 Ų12375.8 Ų75.864%0.64439%0.385SS*.Hα-helixtrans-67.6-42.1176.8-17365.1000111T461 H462 R467 T468T461-L464 PolarHBondContact O-N 2.58Å; H462-L464 VanDerWaalsContact C-N 3.34Å; H462-L464 PolarHBondContact O-N 3.2Å; L464-R467 PolarHBondContact O-N 2.8Å; L464-T468 VanDerWaalsContact O-CG2 3.29Å; L464-T468 WeakPolarHBondContact O-CG2 3.48Å; L464-T468 PolarHBondContact O-N 2.85Å; L464-T468 VanDerWaalsContact O-N 3.08Å; L464-T468 PolarHBondContact O-OG1 2.85Å
465C78.2Confident67.6Low35 Ų3576.6 Ų76.624%0.23639%0.389CS..Hα-helixtrans-65.2-48.1178.2-159.90000111.6C443 T461 H462 R467 T468 Q469C443-C465 HydrophobicContact CB-CB 3.89Å; C443-C465 WeakPolarHBondContact CB-SG 3.43Å; C443-C465 WeakPolarHBondContact SG-CB 3.05Å; C443-C465 CovalentContact SG-SG 2.03Å; C443-C465 PolarHBondContact SG-SG 2.8Å; T461-C465 PolarHBondContact O-N 2.9Å; T461-C465 VanDerWaalsContact O-N 3.17Å; H462-C465 PolarHBondContact O-N 2.81Å; C465-R467 VanDerWaalsContact C-N 3.33Å; C465-R467 PolarHBondContact O-N 2.77Å; C465-T468 PolarHBondContact O-N 2.74Å; C465-T468 VanDerWaalsContact O-N 3.16Å; C465-T468 PolarHBondContact O-OG1 2.89Å; C465-Q469 VanDerWaalsContact O-CG 3.32Å; C465-Q469 WeakPolarHBondContact O-CG 3.17Å; C465-Q469 PolarHBondContact O-N 3.42Å
466E76.1Confident69.2Low17 Ų1774.7 Ų74.78%0.07938%0.383CS..Hα-helixtrans-58.3-42.5176.1-178.5163.6127.400112.9V439 C447 T448 H462 T468 Q469 C470V439-E466 HydrophobicContact CG2-CB 3.94Å; V439-E466 HydrophobicContact CG2-CG 3.98Å; C447-E466 WeakPolarHBondContact CA-OE2 3.32Å; C447-E466 WeakPolarHBondContact CB-OE2 3.47Å; T448-E466 WeakPolarHBondContact CB-OE1 3.42Å; T448-E466 WeakPolarHBondContact CG2-OE1 3.3Å; T448-E466 PolarHBondContact N-OE2 3.38Å; T448-E466 PolarHBondContact OG1-OE1 2.83Å; H462-E466 PolarHBondContact O-N 2.87Å; E466-T468 PolarHBondContact O-N 2.74Å; E466-Q469 PolarHBondContact O-N 2.9Å; E466-C470 WeakPolarHBondContact O-CB 3.38Å; E466-C470 PolarHBondContact O-N 2.85Å
467R77.9Confident70.7Confident84 Ų8473 Ų7332%0.31738%0.377SS..Iπ-helixtrans-56.4-50.9173.5-178.7169.8-178.9144.90.3111.7F463 L464 C465 Q469 C470 Q471 D472 S732F463-R467 WeakPolarHBondContact O-CB 3.32Å; F463-R467 PolarHBondContact O-N 3.06Å; L464-R467 PolarHBondContact O-N 2.8Å; C465-R467 VanDerWaalsContact C-N 3.33Å; C465-R467 PolarHBondContact O-N 2.77Å; R467-Q469 VanDerWaalsContact C-N 3.3Å; R467-Q469 PolarHBondContact O-N 2.96Å; R467-C470 PolarHBondContact O-N 2.82Å; R467-Q471 HydrophobicContact CG-CB 4.13Å; R467-Q471 WeakPolarHBondContact O-CA 3.34Å; R467-Q471 WeakPolarHBondContact O-CB 3.29Å; R467-Q471 PolarHBondContact O-N 2.9Å; R467-D472 PolarHBondContact O-N 3.39Å; R467-S732 PolarHBondContact NH1-OG 3.36Å
468T77.1Confident72.3Confident54 Ų5476.1 Ų76.133%0.33138%0.384SS..Iπ-helixtrans-63.6-33.8-179.564.10000113.2L464 C465 E466 D472 E473L464-T468 VanDerWaalsContact O-CG2 3.29Å; L464-T468 WeakPolarHBondContact O-CG2 3.48Å; L464-T468 PolarHBondContact O-N 2.85Å; L464-T468 VanDerWaalsContact O-N 3.08Å; L464-T468 PolarHBondContact O-OG1 2.85Å; C465-T468 PolarHBondContact O-N 2.74Å; C465-T468 VanDerWaalsContact O-N 3.16Å; C465-T468 PolarHBondContact O-OG1 2.89Å; E466-T468 PolarHBondContact O-N 2.74Å; T468-D472 WeakPolarHBondContact CA-OD2 3.23Å; T468-E473 PolarHBondContact O-N 2.87Å
469Q81Confident73.9Confident32 Ų3277.4 Ų77.415%0.1539%0.389CS..Iπ-helixtrans-87.7-21.3-175-64.5-58.2-77.500114.2K438 V439 H442 C465 E466 R467K438-Q469 HydrophobicContact CB-CB 4.33Å; K438-Q469 WeakPolarHBondContact CD-O 3.46Å; K438-Q469 PolarHBondContact NZ-O 2.9Å; K438-Q469 VanDerWaalsContact NZ-O 3.1Å; V439-Q469 HydrophobicContact CG2-CB 4.4Å; H442-Q469 HydrophobicContact CB-CG 4.46Å; H442-Q469 PolarHBondContact CD2-OE1 3.17Å; C465-Q469 VanDerWaalsContact O-CG 3.32Å; C465-Q469 WeakPolarHBondContact O-CG 3.17Å; C465-Q469 PolarHBondContact O-N 3.42Å; E466-Q469 PolarHBondContact O-N 2.9Å; R467-Q469 VanDerWaalsContact C-N 3.3Å; R467-Q469 PolarHBondContact O-N 2.96Å
470C81Confident75.6Confident19 Ų1972 Ų7213%0.12836%0.36CS..Iπ-helixtrans-128.1-29.9-171.9-51.40000115.5C435 E466 R467C435-C470 WeakPolarHBondContact CA-SG 3.12Å; C435-C470 HydrophobicContact CB-CB 3.81Å; C435-C470 WeakPolarHBondContact CB-SG 3.35Å; C435-C470 WeakPolarHBondContact SG-CB 3.12Å; C435-C470 CovalentContact SG-SG 2.04Å; C435-C470 PolarHBondContact SG-SG 3.11Å; E466-C470 WeakPolarHBondContact O-CB 3.38Å; E466-C470 PolarHBondContact O-N 2.85Å; R467-C470 PolarHBondContact O-N 2.82Å
471Q75.6Confident77.3Confident61 Ų6164.9 Ų64.929%0.28533%0.329SS..Iπ-helixtrans-96.1-46.8178.4-178.2171.411.400111R467 S732R467-Q471 HydrophobicContact CG-CB 4.13Å; R467-Q471 WeakPolarHBondContact O-CA 3.34Å; R467-Q471 WeakPolarHBondContact O-CB 3.29Å; R467-Q471 PolarHBondContact O-N 2.9Å; Q471-S732 PolarHBondContact NE2-O 2.58Å
472D76.1Confident78.9Confident98 Ų9862 Ų6252%0.52431%0.31SS..Iπ-helixtrans-79.4-42.3-178.7-52.2-32.8000110.6R467 T468 Q474R467-D472 PolarHBondContact O-N 3.39Å; T468-D472 WeakPolarHBondContact CA-OD2 3.23Å; D472-Q474 PolarHBondContact O-N 3.3Å
473E74.5Confident80.1Confident107 Ų10761.5 Ų61.550%0.531%0.309SS..SBendtrans-9383.3169.9-163.6-167.5119.500111.7K438 T468 I475K438-E473 VanDerWaalsContact NZ-CD 3.35Å; K438-E473 PolarHBondContact NZ-O 3.47Å; K438-E473 IonicContact NZ-OE1 3.07Å; K438-E473 PolarHBondContact NZ-OE1 3.32Å; T468-E473 PolarHBondContact O-N 2.87Å; E473-I475 PolarHBondContact O-N 2.99Å
474Q78.5Confident81.3Confident128 Ų12858.7 Ų58.760%0.59830%0.298SS*.PPolyproline II helixtrans-53.3135.5179.3-63.9-171.78.400112.7D472 P476 Y737D472-Q474 PolarHBondContact O-N 3.3Å; Q474-P476 WeakPolarHBondContact O-CD 3.49Å; Q474-Y737 HydrophobicContact CG-CE1 4.3Å
475I82.1Confident82.3Confident34 Ų3455.7 Ų55.717%0.17428%0.282CS..PPolyproline II helixtrans-70.5119.5-179.3-62.8160.7000109.5G431 E434 C435 E473 C480G431-I475 WeakPolarHBondContact O-CD1 3.2Å; E434-I475 HydrophobicContact CB-CD1 3.99Å; E434-I475 HydrophobicContact CB-CG1 4.43Å; E434-I475 HydrophobicContact CB-CG2 4.21Å; E434-I475 HydrophobicContact CG-CG2 4.25Å; C435-I475 HydrophobicContact CB-CD1 4.36Å; E473-I475 PolarHBondContact O-N 2.99Å; I475-C480 HydrophobicContact CG2-CB 4.33Å
476P83.8Confident82.8Confident64 Ų6455 Ų5542%0.41628%0.275SS..PPolyproline II helixtrans-69147.1-17227.5-34.7000111.9Q474 E478 T479 C480Q474-P476 WeakPolarHBondContact O-CD 3.49Å; P476-E478 PolarHBondContact O-N 2.78Å; P476-T479 PolarHBondContact O-N 3.37Å; P476-C480 PolarHBondContact O-N 3.41Å
477Y82.2Confident83.4Confident77 Ų7755 Ų5530%0.30228%0.277SS..THydrogen-bonded Turntrans-56.6-32.6179.7-173.5-85.6000112.7P286 T479 C480 P481 L482P286-Y477 HydrophobicContact CG-CE1 4.38Å; P286-Y477 WeakPolarHBondContact O-CE1 3.41Å; P286-Y477 PolarHBondContact O-OH 3.11Å; P286-Y477 VanDerWaalsContact O-OH 3.07Å; Y477-T479 PolarHBondContact O-N 2.95Å; Y477-C480 CarbonylContact O-C 3.55Å; Y477-P481 HydrophobicContact CD1-CB 4.37Å; Y477-P481 HydrophobicContact CE1-CB 3.84Å; Y477-P481 WeakPolarHBondContact O-CA 3.44Å; Y477-P481 WeakPolarHBondContact O-CD 3.42Å; Y477-L482 HydrophobicContact CE2-CB 4.11Å; Y477-L482 HydrophobicContact CE2-CD1 3.96Å; Y477-L482 HydrophobicContact CE2-CG 3.82Å; Y477-L482 PolarHBondContact OH-N 2.97Å
478E82.7Confident84.1Confident178 Ų17854.1 Ų54.183%0.83228%0.275SS*.THydrogen-bonded Turntrans-65.2-25.5177.7-62.8172.2179.700113.2P476P476-E478 PolarHBondContact O-N 2.78Å
479T84.1Confident84.8Confident50 Ų5051.7 Ų51.731%0.30726%0.26SS..THydrogen-bonded Turntrans-89.7-41177.2-60.30000112.1E434 P476 Y477E434-T479 VanDerWaalsContact CD-CG2 3.47Å; E434-T479 HydrophobicContact CG-CG2 3.86Å; P476-T479 PolarHBondContact O-N 3.37Å; Y477-T479 PolarHBondContact O-N 2.95Å
480C87.8Confident85.4Confident1 Ų152.4 Ų52.41%0.00726%0.264CS..SBendtrans-125.282.2173.1-71.90000110.2R427 C430 E434 I475 P476 Y477R427-C480 WeakPolarHBondContact CD-O 3.44Å; R427-C480 HydrophobicContact CG-CB 4.28Å; R427-C480 WeakPolarHBondContact CG-O 3.41Å; R427-C480 PolarHBondContact NE-O 3.08Å; C430-C480 HydrophobicContact CB-CB 3.84Å; C430-C480 WeakPolarHBondContact CB-SG 3.38Å; C430-C480 VanDerWaalsContact SG-CA 3.54Å; C430-C480 WeakPolarHBondContact SG-CB 3.35Å; C430-C480 CovalentContact SG-SG 2.04Å; C430-C480 PolarHBondContact SG-SG 3.18Å; E434-C480 WeakPolarHBondContact CG-SG 3.48Å; I475-C480 HydrophobicContact CG2-CB 4.33Å; P476-C480 PolarHBondContact O-N 3.41Å; Y477-C480 CarbonylContact O-C 3.55Å
481P89.2Confident86Confident22 Ų2256.1 Ų56.114%0.14328%0.278CS..PPolyproline II helixtrans-66162.317526.6-33.9000110.7H288 Y425 Y477H288-P481 HydrophobicContact CB-CG 4.37Å; Y425-P481 PolarHBondContact OH-O 3.32Å; Y477-P481 HydrophobicContact CD1-CB 4.37Å; Y477-P481 HydrophobicContact CE1-CB 3.84Å; Y477-P481 WeakPolarHBondContact O-CA 3.44Å; Y477-P481 WeakPolarHBondContact O-CD 3.42Å
482L89.7Confident86.8Confident27 Ų2757.5 Ų57.514%0.14128%0.284CS..PPolyproline II helixtrans-69.6148.6171.8-76.6165.1000109.9C287 H288 R427 Y477C287-L482 CarbonylContact C-O 3.59Å; C287-L482 VanDerWaalsContact CA-O 3.26Å; C287-L482 WeakPolarHBondContact CA-O 3.29Å; C287-L482 VanDerWaalsContact CB-O 3.3Å; C287-L482 WeakPolarHBondContact CB-O 3.49Å; H288-L482 PolarHBondContact N-O 2.97Å; R427-L482 HydrophobicContact CB-CD2 4.03Å; R427-L482 HydrophobicContact CG-CD2 4.43Å; Y477-L482 HydrophobicContact CE2-CB 4.11Å; Y477-L482 HydrophobicContact CE2-CD1 3.96Å; Y477-L482 HydrophobicContact CE2-CG 3.82Å; Y477-L482 PolarHBondContact OH-N 2.97Å
483P90Very high87.6Confident9 Ų954.7 Ų54.76%0.05827%0.272CS..BIsolated β-bridgetrans-62.5146.6171.927.8-34.3000110.7R279 H288 Y425 I485 Q486R279-P483 PolarHBondContact NH1-O 2.72Å; H288-P483 WeakPolarHBondContact O-CA 3.4Å; Y425-P483 HydrophobicContact CD1-CB 4.35Å; P483-I485 WeakPolarHBondContact CB-O 3.4Å; P483-I485 PolarHBondContact O-N 2.93Å; P483-Q486 HydrophobicContact CG-CB 4.21Å; P483-Q486 HydrophobicContact CG-CG 4.39Å
484C90.7Very high88.5Confident12 Ų1251.2 Ų51.28%0.08126%0.256CS..SBendtrans-67.6-23.8175.8-60.90000112.2T278 R279 C287 H288T278-C484 CarbonylContact C-O 3.55Å; T278-C484 VanDerWaalsContact CA-O 3.3Å; T278-C484 WeakPolarHBondContact CA-O 3.42Å; R279-C484 PolarHBondContact N-O 2.78Å; C287-C484 HydrophobicContact CB-CB 3.97Å; C287-C484 WeakPolarHBondContact CB-SG 3.42Å; C287-C484 PolarHBondContact O-SG 3.32Å; C287-C484 WeakPolarHBondContact SG-CA 3.37Å; C287-C484 WeakPolarHBondContact SG-CB 3.32Å; C287-C484 CovalentContact SG-SG 2.04Å; C287-C484 PolarHBondContact SG-SG 3.17Å; H288-C484 VanDerWaalsContact C-SG 3.53Å; H288-C484 PolarHBondContact O-N 3.22Å; H288-C484 PolarHBondContact O-SG 3.4Å
485I89.5Confident89.2Confident60 Ų6048.2 Ų48.231%0.30825%0.246SC..EExtended strand (participates in β ladder)trans-123.2119.6172.4-61.7179.6000107.1Y83 V276 T277 T278 D292 P483Y83-I485 HydrophobicContact CE1-CG2 4.36Å; V276-I485 HydrophobicContact CG1-CG2 3.98Å; T277-I485 WeakPolarHBondContact O-CA 3.34Å; T278-I485 HydrophobicContact CG2-CD1 4.39Å; T278-I485 HydrophobicContact CG2-CG1 4.01Å; T278-I485 HydrophobicContact CG2-CG2 4.48Å; D292-I485 HydrophobicContact CB-CB 4.2Å; D292-I485 HydrophobicContact CB-CD1 3.62Å; D292-I485 HydrophobicContact CB-CG1 4.43Å; D292-I485 HydrophobicContact CB-CG2 4.2Å; P483-I485 WeakPolarHBondContact CB-O 3.4Å; P483-I485 PolarHBondContact O-N 2.93Å
486Q89Confident89.8Confident22 Ų2253.1 Ų53.110%0.10326%0.263CS..EExtended strand (participates in β ladder)trans-131.2130-174.5-171.2169.422.500109.7T277 P483T277-Q486 PolarHBondContact N-O 2.84Å; T277-Q486 PolarHBondContact O-N 3.16Å; P483-Q486 HydrophobicContact CG-CB 4.21Å; P483-Q486 HydrophobicContact CG-CG 4.39Å
487T89.7Confident90.2Very high17 Ų1753 Ų5310%0.10426%0.258CS..EExtended strand (participates in β ladder)trans-101.4154.5176.571.30000111.6E245 S275 V276E245-T487 HydrophobicContact CG-CG2 4.35Å; E245-T487 VanDerWaalsContact OE2-CB 3.3Å; E245-T487 WeakPolarHBondContact OE2-CB 3.31Å; E245-T487 WeakPolarHBondContact OE2-CG2 3.45Å; E245-T487 PolarHBondContact OE2-OG1 2.88Å; S275-T487 CarbonylContact O-C 3.55Å; S275-T487 WeakPolarHBondContact O-CA 3.44Å; V276-T487 HydrophobicContact CG1-CG2 4.46Å; V276-T487 HydrophobicContact CG2-CG2 4.12Å
488K91.9Very high90.6Very high64 Ų6452.3 Ų52.328%0.27826%0.263SS..EExtended strand (participates in β ladder)trans-142.2134.1173.3164.5163.5-176.3153.40109.2D255 S275 I490D255-K488 VanDerWaalsContact O-CD 3.3Å; D255-K488 WeakPolarHBondContact O-CD 3.38Å; D255-K488 WeakPolarHBondContact O-CE 3.44Å; D255-K488 PolarHBondContact O-NZ 2.86Å; D255-K488 IonicContact OD2-NZ 2.98Å; D255-K488 PolarHBondContact OD2-NZ 3.01Å; S275-K488 PolarHBondContact N-O 3.37Å; S275-K488 PolarHBondContact O-N 2.96Å; K488-I490 HydrophobicContact CD-CG1 4.31Å; K488-I490 HydrophobicContact CG-CG1 3.95Å
489F92.6Very high90.6Very high4 Ų444 Ų442%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-93129169.4-64.8-89.3000108.9P87 H244 E245 R256 I258 F272 K274P87-F489 HydrophobicContact CB-CE1 3.89Å; P87-F489 HydrophobicContact CB-CZ 3.96Å; H244-F489 VanDerWaalsContact C-CE2 3.45Å; E245-F489 HydrophobicContact CB-CE2 4.45Å; E245-F489 WeakPolarHBondContact OE2-CZ 3.49Å; R256-F489 PolarHBondContact O-N 3.15Å; I258-F489 HydrophobicContact CD1-CB 3.92Å; I258-F489 HydrophobicContact CG1-CB 3.85Å; F272-F489 AromaticContact CD2-CD1 3.89Å; F272-F489 HydrophobicContact CD2-CD1 3.89Å; F272-F489 AromaticContact CE2-CD1 3.58Å; F272-F489 HydrophobicContact CE2-CD1 3.58Å; F272-F489 HydrophobicContact CE2-CE1 4Å; K274-F489 HydrophobicContact CB-CE1 4.45Å; K274-F489 HydrophobicContact CD-CE1 4.21Å; K274-F489 HydrophobicContact CD-CZ 4.24Å; K274-F489 HydrophobicContact CG-CE1 4.24Å; K274-F489 HydrophobicContact CG-CZ 4.45Å
490I92.7Very high90.6Very high46 Ų4652 Ų5224%0.23625%0.251CS..EExtended strand (participates in β ladder)trans-114112.7-176.1-55.9-180000108.3F272 S273 K488F272-I490 CarbonylContact C-O 3.59Å; F272-I490 WeakPolarHBondContact CA-O 3.27Å; F272-I490 VanDerWaalsContact CB-O 3.29Å; F272-I490 WeakPolarHBondContact CB-O 3.31Å; S273-I490 PolarHBondContact N-O 3.31Å; S273-I490 PolarHBondContact O-N 3.09Å; K488-I490 HydrophobicContact CD-CG1 4.31Å; K488-I490 HydrophobicContact CG-CG1 3.95Å
491K93Very high90.4Very high97 Ų9758.6 Ų58.642%0.42228%0.282SS..EExtended strand (participates in β ladder)trans-68.5128.9170.9-175.6164.4861730109.5I258 L270 E494I258-K491 HydrophobicContact CD1-CB 4.07Å; I258-K491 HydrophobicContact CG1-CB 4.36Å; I258-K491 HydrophobicContact CG2-CB 4.25Å; I258-K491 HydrophobicContact CG2-CD 4.12Å; L270-K491 HydrophobicContact CD1-CB 4.48Å; L270-K491 HydrophobicContact CD1-CD 3.39Å; L270-K491 HydrophobicContact CD1-CG 3.61Å; K491-E494 HydrophobicContact CD-CB 4.18Å; K491-E494 IonicContact NZ-OE2 3.2Å; K491-E494 PolarHBondContact NZ-OE2 3.48Å
492H92.5Very high90Very high90 Ų9059.6 Ų59.642%0.41729%0.286SS..EExtended strand (participates in β ladder)trans-105.4-39175-66.4-37.9000112.4Y271 S273Y271-H492 PolarHBondContact O-N 3Å; S273-H492 VanDerWaalsContact CB-NE2 3.28Å; S273-H492 WeakPolarHBondContact CB-NE2 3.39Å; S273-H492 PolarHBondContact OG-NE2 3.38Å; S273-H492 VanDerWaalsContact OG-NE2 3.17Å
493S93.5Very high89.7Confident39 Ų3961.4 Ų61.427%0.27331%0.311SS..EExtended strand (participates in β ladder)trans-157.6157.2175.6-175.10000110.7Y271Y271-S493 PolarHBondContact N-O 3.47Å; Y271-S493 PolarHBondContact O-N 3.18Å
494E93.5Very high89.5Confident35 Ų3562.2 Ų62.216%0.16432%0.315CS..EExtended strand (participates in β ladder)trans-143.1110.2179.3-174176.2-161.800109.2V268 S269 L270 K491 R496V268-E494 HydrophobicContact CG1-CG 3.83Å; S269-E494 WeakPolarHBondContact O-CA 3.43Å; L270-E494 HydrophobicContact CD1-CB 4.35Å; L270-E494 HydrophobicContact CD1-CG 4.43Å; K491-E494 HydrophobicContact CD-CB 4.18Å; K491-E494 IonicContact NZ-OE2 3.2Å; K491-E494 PolarHBondContact NZ-OE2 3.48Å; E494-R496 VanDerWaalsContact CD-CZ 3.41Å; E494-R496 IonicContact OE1-CZ 3.02Å; E494-R496 VanDerWaalsContact OE1-CZ 3.31Å; E494-R496 IonicContact OE1-NE 2.75Å; E494-R496 IonicContact OE1-NH2 2.7Å; E494-R496 PolarHBondContact OE1-NH2 3.34Å; E494-R496 IonicContact OE2-CZ 2.65Å; E494-R496 IonicContact OE2-NH1 2.81Å; E494-R496 IonicContact OE2-NH2 3.26Å; E494-R496 PolarHBondContact OE2-NH2 3.25Å
495V93.6Very high89.3Confident64 Ų6466 Ų6639%0.38834%0.34SS..EExtended strand (participates in β ladder)trans-98128.7175.5-176.60000108V268 S269 Y271 L497V268-V495 CarbonylContact C-O 3.56Å; V268-V495 WeakPolarHBondContact CA-O 3.5Å; S269-V495 PolarHBondContact N-O 3.14Å; S269-V495 PolarHBondContact O-N 2.85Å; Y271-V495 HydrophobicContact CE2-CG2 4.41Å; V495-L497 HydrophobicContact CG1-CD2 4.42Å; V495-L497 HydrophobicContact CG1-CG 4.38Å
496R93.9Very high88.9Confident138 Ų13869.9 Ų69.952%0.52136%0.359SS..EExtended strand (participates in β ladder)trans-113.6131173.5-59.5-167.2173.880.22.3109.4V268 E494V268-R496 HydrophobicContact CG1-CG 4.32Å; V268-R496 HydrophobicContact CG2-CG 4.09Å; E494-R496 VanDerWaalsContact CD-CZ 3.41Å; E494-R496 IonicContact OE1-CZ 3.02Å; E494-R496 VanDerWaalsContact OE1-CZ 3.31Å; E494-R496 IonicContact OE1-NE 2.75Å; E494-R496 IonicContact OE1-NH2 2.7Å; E494-R496 PolarHBondContact OE1-NH2 3.34Å; E494-R496 IonicContact OE2-CZ 2.65Å; E494-R496 IonicContact OE2-NH1 2.81Å; E494-R496 IonicContact OE2-NH2 3.26Å; E494-R496 PolarHBondContact OE2-NH2 3.25Å
497L92.5Very high88.7Confident60 Ų6070 Ų7031%0.31436%0.361SS..EExtended strand (participates in β ladder)trans-124.3144.8174.5-60.7175000109.4S267 V495 D502S267-L497 PolarHBondContact N-O 3.48Å; S267-L497 PolarHBondContact O-N 3.04Å; V495-L497 HydrophobicContact CG1-CD2 4.42Å; V495-L497 HydrophobicContact CG1-CG 4.38Å; L497-D502 HydrophobicContact CD1-CB 4.43Å
498P89.7Confident88.7Confident63 Ų6370 Ų7041%0.40936%0.36SS..EExtended strand (participates in β ladder)trans-65.6140.5166.730.5-34.5000109.6Y500 E501P498-Y500 PolarHBondContact O-N 2.73Å; P498-Y500 VanDerWaalsContact O-N 3.12Å; P498-E501 WeakPolarHBondContact CD-OE2 3.43Å; P498-E501 HydrophobicContact CG-CB 4.26Å; P498-E501 VanDerWaalsContact CG-CD 3.41Å; P498-E501 HydrophobicContact CG-CG 3.79Å; P498-E501 PolarHBondContact O-N 3.33Å; P498-E501 VanDerWaalsContact O-N 3.16Å
499G83.9Confident88.8Confident3 Ų367 Ų673%0.03135%0.348CS..THydrogen-bonded Turntrans-59.1-30.3-173.200000114D265 E501 D502 G503 L504D265-G499 WeakPolarHBondContact O-CA 3.43Å; D265-G499 PolarHBondContact O-N 2.52Å; G499-E501 PolarHBondContact O-N 3.27Å; G499-D502 CarbonylContact O-C 3.48Å; G499-D502 PolarHBondContact O-N 2.99Å; G499-G503 PolarHBondContact O-N 2.81Å; G499-G503 VanDerWaalsContact O-N 3.16Å; G499-L504 WeakPolarHBondContact O-CB 3.21Å; G499-L504 PolarHBondContact O-N 2.81Å
500Y84.7Confident88.8Confident219 Ų21968.2 Ų68.286%0.85935%0.352SS*.THydrogen-bonded Turntrans-61.1-39.2178.2-178.5-104000113.4P498P498-Y500 PolarHBondContact O-N 2.73Å; P498-Y500 VanDerWaalsContact O-N 3.12Å
501E82.3Confident88.9Confident140 Ų14066 Ų6665%0.65434%0.341SS*.THydrogen-bonded Turntrans-70-34.5178.4-72.1174.9-176.600112.5P498 G499 G503P498-E501 WeakPolarHBondContact CD-OE2 3.43Å; P498-E501 HydrophobicContact CG-CB 4.26Å; P498-E501 VanDerWaalsContact CG-CD 3.41Å; P498-E501 HydrophobicContact CG-CG 3.79Å; P498-E501 PolarHBondContact O-N 3.33Å; P498-E501 VanDerWaalsContact O-N 3.16Å; G499-E501 PolarHBondContact O-N 3.27Å; E501-G503 VanDerWaalsContact C-N 3.34Å
502D81.4Confident89Confident42 Ų4262.9 Ų62.923%0.22533%0.327CS..THydrogen-bonded Turntrans-97.416.1-175.9-165.527.9000112.1S267 L497 G499 L504 R510 K512S267-D502 WeakPolarHBondContact CB-OD2 3.37Å; S267-D502 PolarHBondContact OG-OD2 3.47Å; L497-D502 HydrophobicContact CD1-CB 4.43Å; G499-D502 CarbonylContact O-C 3.48Å; G499-D502 PolarHBondContact O-N 2.99Å; D502-L504 HydrophobicContact CB-CD1 4.02Å; D502-L504 WeakPolarHBondContact O-CD1 3.3Å; D502-L504 PolarHBondContact O-N 3.32Å; D502-R510 PolarHBondContact O-NH2 3.24Å; D502-R510 VanDerWaalsContact O-NH2 3.11Å; D502-R510 IonicContact OD1-NH2 2.79Å; D502-R510 PolarHBondContact OD1-NH2 2.93Å; D502-R510 VanDerWaalsContact OD1-NH2 3.08Å; D502-R510 IonicContact OD2-CZ 3.78Å; D502-R510 IonicContact OD2-NE 3.55Å; D502-R510 PolarHBondContact OD2-NE 3.43Å; D502-R510 IonicContact OD2-NH2 3.49Å; D502-R510 PolarHBondContact OD2-NH2 3.02Å; D502-K512 IonicContact OD1-NZ 3.44Å; D502-K512 PolarHBondContact OD1-NZ 2.94Å; D502-K512 IonicContact OD2-NZ 3.08Å; D502-K512 PolarHBondContact OD2-NZ 2.94Å
503G83.5Confident89.1Confident65 Ų6558.6 Ų58.667%0.6731%0.307SS*.THydrogen-bonded Turntrans72.719.7170.800000116.2G499 E501G499-G503 PolarHBondContact O-N 2.81Å; G499-G503 VanDerWaalsContact O-N 3.16Å; E501-G503 VanDerWaalsContact C-N 3.34Å
504L86.2Confident89Confident27 Ų2758.5 Ų58.514%0.14131%0.305CS..PPolyproline II helixtrans-72.4139.8-179.2-85.468000111.7G499 D502 T508 R510G499-L504 WeakPolarHBondContact O-CB 3.21Å; G499-L504 PolarHBondContact O-N 2.81Å; D502-L504 HydrophobicContact CB-CD1 4.02Å; D502-L504 WeakPolarHBondContact O-CD1 3.3Å; D502-L504 PolarHBondContact O-N 3.32Å; L504-T508 WeakPolarHBondContact CB-OG1 3.39Å; L504-R510 HydrophobicContact CD2-CB 3.96Å
505P85.1Confident88.8Confident92 Ų9257.9 Ų57.960%0.59730%0.301SS*.PPolyproline II helixtrans-62153.5163.9-18.330.3000112T508P505-T508 HydrophobicContact CB-CG2 3.85Å; P505-T508 WeakPolarHBondContact CD-OG1 3.42Å; P505-T508 HydrophobicContact CG-CG2 4.23Å; P505-T508 WeakPolarHBondContact O-CB 3.46Å; P505-T508 WeakPolarHBondContact O-CG2 3.33Å; P505-T508 PolarHBondContact O-N 3Å; P505-T508 PolarHBondContact O-OG1 3Å
506I83Confident88.6Confident140 Ų14056.9 Ų56.972%0.71830%0.297SS*.THydrogen-bonded Turntrans-59.5142.8177.3-54.5171.1000110T508I506-T508 PolarHBondContact O-N 3.44Å
507L84.1Confident88.1Confident26 Ų2654 Ų5414%0.13629%0.289CS..THydrogen-bonded Turntrans6317.4-175.6-70.9150.1000114.4Q227 S229 R236 D265Q227-L507 HydrophobicContact CB-CB 4.31Å; Q227-L507 HydrophobicContact CB-CD2 4.33Å; Q227-L507 PolarHBondContact N-O 2.96Å; S229-L507 VanDerWaalsContact CB-CD1 3.5Å; R236-L507 HydrophobicContact CG-CD2 3.82Å; D265-L507 WeakPolarHBondContact OD1-CA 3.34Å; D265-L507 PolarHBondContact OD1-N 3.17Å
508T89.7Confident87.7Confident16 Ų1652.8 Ų52.810%0.09829%0.286CS..EExtended strand (participates in β ladder)trans-104.2154.7168.875.80000111.2I225 N226 D265 L504 P505 I506I225-T508 CarbonylContact O-C 3.56Å; I225-T508 VanDerWaalsContact O-CA 3.31Å; I225-T508 WeakPolarHBondContact O-CA 3.31Å; N226-T508 HydrophobicContact CB-CG2 4.12Å; N226-T508 WeakPolarHBondContact OD1-CB 3.44Å; N226-T508 WeakPolarHBondContact OD1-CG2 3.39Å; D265-T508 WeakPolarHBondContact CA-O 3.21Å; D265-T508 PolarHBondContact N-O 3.43Å; L504-T508 WeakPolarHBondContact CB-OG1 3.39Å; P505-T508 HydrophobicContact CB-CG2 3.85Å; P505-T508 WeakPolarHBondContact CD-OG1 3.42Å; P505-T508 HydrophobicContact CG-CG2 4.23Å; P505-T508 WeakPolarHBondContact O-CB 3.46Å; P505-T508 WeakPolarHBondContact O-CG2 3.33Å; P505-T508 PolarHBondContact O-N 3Å; P505-T508 PolarHBondContact O-OG1 3Å; I506-T508 PolarHBondContact O-N 3.44Å
509S92.7Very high87.6Confident2 Ų250 Ų501%0.01427%0.267CS..EExtended strand (participates in β ladder)trans-147.5140.2178.7-50.20000110.2R224 I225 P263 P264 D265 T266R224-S509 CarbonylContact C-O 3.59Å; R224-S509 WeakPolarHBondContact CA-O 3.37Å; I225-S509 PolarHBondContact N-O 3.27Å; I225-S509 PolarHBondContact O-N 2.99Å; P263-S509 PolarHBondContact O-OG 3.11Å; P264-S509 VanDerWaalsContact CA-OG 3.3Å; P264-S509 WeakPolarHBondContact CA-OG 3.42Å; D265-S509 PolarHBondContact N-OG 3.24Å; T266-S509 CarbonylContact O-C 3.53Å; T266-S509 VanDerWaalsContact O-CA 3.26Å; T266-S509 WeakPolarHBondContact O-CA 3.5Å
510R94.2Very high87.9Confident29 Ų2952.2 Ų52.211%0.10928%0.277CS..EExtended strand (participates in β ladder)trans-122.8133.5-170.3171.7156.961.3-175.8-1.5111.8E222 I223 L262 T266 S267 V268 D502 L504 K512E222-R510 HydrophobicContact CG-CG 4.13Å; E222-R510 WeakPolarHBondContact OE1-CD 3.33Å; E222-R510 IonicContact OE1-CZ 3.62Å; E222-R510 IonicContact OE1-NE 2.67Å; E222-R510 IonicContact OE1-NH1 2.7Å; E222-R510 PolarHBondContact OE1-NH1 3.09Å; E222-R510 IonicContact OE2-NH1 3.14Å; I223-R510 CarbonylContact O-C 3.55Å; I223-R510 WeakPolarHBondContact O-CA 3.35Å; L262-R510 WeakPolarHBondContact CD1-O 3.02Å; T266-R510 PolarHBondContact O-N 2.91Å; S267-R510 CarbonylContact C-O 3.55Å; S267-R510 WeakPolarHBondContact CA-O 3.42Å; S267-R510 PolarHBondContact OG-NE 2.94Å; V268-R510 PolarHBondContact N-O 3.34Å; D502-R510 PolarHBondContact O-NH2 3.24Å; D502-R510 VanDerWaalsContact O-NH2 3.11Å; D502-R510 IonicContact OD1-NH2 2.79Å; D502-R510 PolarHBondContact OD1-NH2 2.93Å; D502-R510 VanDerWaalsContact OD1-NH2 3.08Å; D502-R510 IonicContact OD2-CZ 3.78Å; D502-R510 IonicContact OD2-NE 3.55Å; D502-R510 PolarHBondContact OD2-NE 3.43Å; D502-R510 IonicContact OD2-NH2 3.49Å; D502-R510 PolarHBondContact OD2-NH2 3.02Å; L504-R510 HydrophobicContact CD2-CB 3.96Å; R510-K512 HydrophobicContact CG-CG 3.9Å
511L94.9Very high88.1Confident0 Ų042.2 Ų42.20%024%0.239CC..EExtended strand (participates in β ladder)trans-114.9116.6162.917959.2000109.5E222 I223 I241 T260 L262 V268 L270 L513E222-L511 WeakPolarHBondContact CA-O 3.33Å; I223-L511 HydrophobicContact CB-CB 4.41Å; I223-L511 HydrophobicContact CD1-CD2 4.28Å; I223-L511 PolarHBondContact N-O 3.22Å; I223-L511 PolarHBondContact O-N 2.96Å; I241-L511 HydrophobicContact CB-CD2 4.05Å; I241-L511 HydrophobicContact CD1-CB 4.04Å; I241-L511 HydrophobicContact CD1-CD2 3.68Å; I241-L511 HydrophobicContact CG1-CD2 4.45Å; I241-L511 HydrophobicContact CG2-CD2 3.82Å; T260-L511 HydrophobicContact CG2-CD1 4.01Å; T260-L511 HydrophobicContact CG2-CD2 4.38Å; L262-L511 HydrophobicContact CD2-CB 4.45Å; V268-L511 HydrophobicContact CB-CD1 4.02Å; V268-L511 HydrophobicContact CG1-CD1 3.94Å; V268-L511 CarbonylContact O-C 3.59Å; V268-L511 WeakPolarHBondContact O-CA 3.35Å; L270-L511 HydrophobicContact CB-CD1 4.03Å; L511-L513 HydrophobicContact CD1-CD2 4.28Å; L511-L513 HydrophobicContact CD2-CD2 3.88Å; L511-L513 HydrophobicContact CD2-CG 4.35Å; L511-L513 HydrophobicContact CG-CD2 3.92Å; L511-L513 HydrophobicContact CG-CG 4.17Å
512K94.5Very high88.5Confident31 Ų3136 Ų3614%0.13521%0.211CC..EExtended strand (participates in β ladder)trans-94.2116.9171.4-53.7178.9-176.6165.80108.1Y220 V268 L270 D502 R510Y220-K512 HydrophobicContact CE2-CB 3.86Å; Y220-K512 HydrophobicContact CE2-CD 4.31Å; Y220-K512 HydrophobicContact CE2-CG 4.28Å; Y220-K512 VanDerWaalsContact OH-CD 3.28Å; Y220-K512 WeakPolarHBondContact OH-CD 3.32Å; Y220-K512 VanDerWaalsContact OH-CG 3.29Å; Y220-K512 WeakPolarHBondContact OH-CG 3.44Å; V268-K512 PolarHBondContact O-N 2.61Å; L270-K512 PolarHBondContact N-O 2.85Å; D502-K512 IonicContact OD1-NZ 3.44Å; D502-K512 PolarHBondContact OD1-NZ 2.94Å; D502-K512 IonicContact OD2-NZ 3.08Å; D502-K512 PolarHBondContact OD2-NZ 2.94Å; R510-K512 HydrophobicContact CG-CG 3.9Å
513L94.2Very high88.9Confident0 Ų036.6 Ų36.60%021%0.214CC..EExtended strand (participates in β ladder)trans-100.7109.4178.6-65.9177.1000109.8I89 L221 I223 T243 L270 F272 L511I89-L513 HydrophobicContact CD1-CD1 3.66Å; L221-L513 HydrophobicContact CB-CB 4.21Å; L221-L513 HydrophobicContact CD2-CD1 4.05Å; L221-L513 HydrophobicContact CG-CD1 4.35Å; L221-L513 PolarHBondContact N-O 3.27Å; L221-L513 VanDerWaalsContact N-O 3.11Å; L221-L513 WeakPolarHBondContact O-CB 3.49Å; L221-L513 PolarHBondContact O-N 3.03Å; I223-L513 HydrophobicContact CD1-CD1 3.67Å; I223-L513 HydrophobicContact CD1-CG 4.31Å; T243-L513 HydrophobicContact CG2-CD1 4.47Å; T243-L513 HydrophobicContact CG2-CD2 4.18Å; L270-L513 HydrophobicContact CB-CD2 4.13Å; L270-L513 HydrophobicContact CD2-CD2 3.66Å; L270-L513 HydrophobicContact CG-CD2 4.4Å; F272-L513 HydrophobicContact CE1-CB 4.18Å; F272-L513 HydrophobicContact CE1-CD2 4.5Å; L511-L513 HydrophobicContact CD1-CD2 4.28Å; L511-L513 HydrophobicContact CD2-CD2 3.88Å; L511-L513 HydrophobicContact CD2-CG 4.35Å; L511-L513 HydrophobicContact CG-CD2 3.92Å; L511-L513 HydrophobicContact CG-CG 4.17Å
514V92.5Very high89.3Confident36 Ų3634.4 Ų34.422%0.21819%0.186CC..EExtended strand (participates in β ladder)trans-109.2115.9-178.7-1660000109.6Y220 L270 Y271 F272Y220-V514 HydrophobicContact CD2-CG2 4.09Å; Y220-V514 HydrophobicContact CE2-CG2 4.45Å; L270-V514 PolarHBondContact O-N 3.29Å; Y271-V514 WeakPolarHBondContact CA-O 3.49Å; Y271-V514 HydrophobicContact CD1-CB 3.7Å; Y271-V514 HydrophobicContact CD1-CG1 3.78Å; Y271-V514 HydrophobicContact CD1-CG2 4.2Å; Y271-V514 HydrophobicContact CE1-CB 3.89Å; Y271-V514 HydrophobicContact CE1-CG1 3.76Å; Y271-V514 HydrophobicContact CE1-CG2 3.96Å; Y271-V514 HydrophobicContact CG-CB 4.3Å; F272-V514 WeakPolarHBondContact CD1-O 3.33Å; F272-V514 PolarHBondContact N-O 2.87Å
515R89Confident89.4Confident23 Ų2337.4 Ų37.49%0.08720%0.199CC..EExtended strand (participates in β ladder)trans-92.8147.6-178.876.5-172.6-173.3103-22.8112.7D84 W218 F272D84-R515 IonicContact OD1-CZ 3.79Å; D84-R515 IonicContact OD1-NH1 2.76Å; D84-R515 PolarHBondContact OD1-NH1 2.68Å; D84-R515 IonicContact OD1-NH2 2.61Å; D84-R515 IonicContact OD2-CZ 3.43Å; D84-R515 IonicContact OD2-NH1 3.2Å; D84-R515 PolarHBondContact OD2-NH1 3Å; D84-R515 IonicContact OD2-NH2 2.91Å; D84-R515 PolarHBondContact OD2-NH2 3.39Å; W218-R515 HydrophobicContact CH2-CB 4.04Å; W218-R515 HydrophobicContact CH2-CG 4.41Å; W218-R515 HydrophobicContact CZ2-CB 4.41Å; W218-R515 PolarHBondContact O-NE 3.47Å; W218-R515 PolarHBondContact O-NH2 2.87Å; F272-R515 HydrophobicContact CE1-CB 4.33Å; F272-R515 HydrophobicContact CZ-CB 4.2Å; F272-R515 CarbonylContact O-C 3.6Å; F272-R515 WeakPolarHBondContact O-CA 3.3Å
516S87.9Confident89.4Confident43 Ų4336.2 Ų36.230%0.30119%0.185SC..  trans-61.2153.4164.8-173.50000112.2F272 S518F272-S516 PolarHBondContact O-N 3.44Å; S516-S518 PolarHBondContact O-N 2.91Å
517E83.5Confident89.5Confident77 Ų7733 Ų3336%0.3617%0.169SC..SBendtrans-71.7-18.5179-41.7-150.994.700113.5R79 M881R79-E517 WeakPolarHBondContact CG-O 3.34Å; R79-E517 IonicContact CZ-OE1 3.18Å; R79-E517 IonicContact NH1-OE1 2.73Å; R79-E517 PolarHBondContact NH1-OE1 3.05Å; R79-E517 VanDerWaalsContact NH2-CG 3.34Å; R79-E517 IonicContact NH2-OE1 2.78Å; R79-E517 PolarHBondContact NH2-OE1 3.33Å; E517-M881 HydrophobicContact CG-CE 4.26Å
518S84.3Confident89.5Confident34 Ų3432.5 Ų32.524%0.23817%0.166CC..EExtended strand (participates in β ladder)trans-126136.4-175.459.70000112.3S77 S516S77-S518 CarbonylContact O-C 3.51Å; S77-S518 VanDerWaalsContact O-CA 3.23Å; S77-S518 WeakPolarHBondContact O-CA 3.44Å; S516-S518 PolarHBondContact O-N 2.91Å
519V87.3Confident89.3Confident4 Ų434.5 Ų34.52%0.02418%0.181CC..EExtended strand (participates in β ladder)trans-86.6128.7166.3-1790000108.2S77 K274 V276 V521S77-V519 PolarHBondContact N-O 3.18Å; S77-V519 PolarHBondContact O-N 3.14Å; K274-V519 HydrophobicContact CB-CG1 4.28Å; K274-V519 HydrophobicContact CB-CG2 4.46Å; K274-V519 HydrophobicContact CG-CG1 4.34Å; K274-V519 WeakPolarHBondContact O-CA 3.22Å; V276-V519 HydrophobicContact CG2-CG1 3.72Å; V519-V521 HydrophobicContact CG1-CG2 4.28Å
520Q90.1Very high89.1Confident50 Ų5039.3 Ų39.323%0.23421%0.205CC..EExtended strand (participates in β ladder)trans-79.8129173.5-58.8-177.70.300108.5Y76 K274 S275 V276Y76-Q520 HydrophobicContact CD1-CG 4.14Å; Y76-Q520 HydrophobicContact CE1-CG 3.76Å; K274-Q520 PolarHBondContact O-N 2.76Å; S275-Q520 CarbonylContact C-O 3.54Å; S275-Q520 WeakPolarHBondContact CA-O 3.45Å; V276-Q520 PolarHBondContact N-O 3.42Å
521V89.8Confident88.9Confident9 Ų941.2 Ų41.26%0.05523%0.227CC..EExtended strand (participates in β ladder)trans-122108.9-179.8-172.20000108.8D75 S77 V276 V519 M523D75-V521 PolarHBondContact N-O 3.45Å; D75-V521 PolarHBondContact O-N 2.91Å; S77-V521 WeakPolarHBondContact OG-CG2 3.25Å; V276-V521 CarbonylContact O-C 3.57Å; V276-V521 WeakPolarHBondContact O-CA 3.5Å; V519-V521 HydrophobicContact CG1-CG2 4.28Å; V521-M523 HydrophobicContact CG1-CG 3.74Å; V521-M523 HydrophobicContact CG1-SD 4.18Å
522A90.9Very high88.7Confident9 Ų944.9 Ų44.97%0.07424%0.243CC..EExtended strand (participates in β ladder)trans-97106.3177.900000109.2Q73 L74 V276 T277 T278Q73-A522 CarbonylContact O-C 3.53Å; Q73-A522 VanDerWaalsContact O-CA 3.29Å; Q73-A522 WeakPolarHBondContact O-CA 3.36Å; L74-A522 HydrophobicContact CD2-CB 3.61Å; V276-A522 PolarHBondContact O-N 2.96Å; T277-A522 CarbonylContact C-O 3.37Å; T277-A522 WeakPolarHBondContact CA-O 3.33Å; T277-A522 HydrophobicContact CG2-CB 4.4Å; T278-A522 PolarHBondContact N-O 2.89Å
523M90Very high88.6Confident56 Ų5644.5 Ų44.528%0.27624%0.242SC..EExtended strand (participates in β ladder)trans-106.3125.2-176-55.5-164.4-64.600111.5F72 Q73 D75 T278 V521F72-M523 CarbonylContact C-O 3.5Å; F72-M523 WeakPolarHBondContact CA-O 3.36Å; Q73-M523 PolarHBondContact N-O 3.23Å; Q73-M523 PolarHBondContact O-N 3.16Å; D75-M523 WeakPolarHBondContact OD2-CE 3.45Å; T278-M523 WeakPolarHBondContact OG1-CA 3.48Å; T278-M523 WeakPolarHBondContact OG1-CG 3.32Å; V521-M523 HydrophobicContact CG1-CG 3.74Å; V521-M523 HydrophobicContact CG1-SD 4.18Å
524E90.8Very high88.4Confident19 Ų1951.1 Ų51.19%0.08927%0.272CS..EExtended strand (participates in β ladder)trans-81.4112.2173.7-167.7174.2-166.400111T70 V71 F72 T278 R279 L280T70-E524 VanDerWaalsContact CB-OE1 3.27Å; T70-E524 WeakPolarHBondContact CB-OE1 3.47Å; T70-E524 HydrophobicContact CG2-CG 3.91Å; T70-E524 PolarHBondContact OG1-OE1 2.9Å; V71-E524 WeakPolarHBondContact O-CA 3.24Å; F72-E524 HydrophobicContact CD1-CB 4.02Å; F72-E524 HydrophobicContact CE1-CB 3.62Å; F72-E524 HydrophobicContact CE1-CG 4.14Å; F72-E524 HydrophobicContact CE2-CG 4.39Å; F72-E524 HydrophobicContact CZ-CB 4Å; F72-E524 HydrophobicContact CZ-CG 4Å; T278-E524 WeakPolarHBondContact O-CB 3.29Å; T278-E524 PolarHBondContact O-N 2.8Å; R279-E524 VanDerWaalsContact CA-OE2 3.31Å; R279-E524 WeakPolarHBondContact CA-OE2 3.38Å; R279-E524 WeakPolarHBondContact CB-OE2 3.46Å; L280-E524 HydrophobicContact CB-CB 4.44Å; L280-E524 HydrophobicContact CB-CG 4.28Å; L280-E524 PolarHBondContact N-OE2 3.3Å
525E88.5Confident88.4Confident90 Ų9053.5 Ų53.542%0.42129%0.29SS..EExtended strand (participates in β ladder)trans-115.6151.9177.2-63.1-168.7179.700111.3T70 V71 I527T70-E525 CarbonylContact C-O 3.49Å; T70-E525 WeakPolarHBondContact CA-O 3.39Å; V71-E525 PolarHBondContact N-O 3.15Å; V71-E525 PolarHBondContact O-N 2.91Å; E525-I527 PolarHBondContact O-N 3.32Å
526E85.7Confident88.6Confident66 Ų6655.7 Ų55.731%0.30830%0.301SS..EExtended strand (participates in β ladder)trans-69.7125.1168.5-63.4-164.3124.400110.2H68 L280 F528H68-E526 IonicContact CE1-OE1 3.69Å; H68-E526 IonicContact CG-OE1 3.8Å; H68-E526 IonicContact ND1-OE1 2.78Å; H68-E526 PolarHBondContact ND1-OE1 3.48Å; L280-E526 HydrophobicContact CD2-CG 3.51Å; E526-F528 PolarHBondContact O-N 3.48Å
527I85.4Confident88.9Confident73 Ų7355.2 Ų55.237%0.37430%0.296SS..THydrogen-bonded Turntrans-57.9-19.6176.2-66.2171.4000111.9Q69 T70 V71 E525 K532Q69-I527 HydrophobicContact CB-CD1 3.92Å; Q69-I527 WeakPolarHBondContact O-CB 3.31Å; Q69-I527 WeakPolarHBondContact O-CG1 3.22Å; Q69-I527 PolarHBondContact O-N 3.09Å; T70-I527 WeakPolarHBondContact O-CD1 3.41Å; V71-I527 HydrophobicContact CB-CD1 3.99Å; V71-I527 HydrophobicContact CB-CG1 3.64Å; V71-I527 HydrophobicContact CG1-CD1 4.49Å; V71-I527 HydrophobicContact CG1-CG1 3.61Å; E525-I527 PolarHBondContact O-N 3.32Å; I527-K532 PolarHBondContact O-NZ 3.3Å
528F83Confident89.2Confident16 Ų1653.3 Ų53.37%0.0730%0.298CS..THydrogen-bonded Turntrans-135.968.5-169-145.8-87.5000113.2V61 Y65 E526 K532 L533 E536V61-F528 HydrophobicContact CG1-CE1 3.99Å; V61-F528 HydrophobicContact CG1-CZ 3.58Å; Y65-F528 AromaticContact CD2-CD1 3.92Å; Y65-F528 HydrophobicContact CD2-CD1 3.92Å; Y65-F528 WeakPolarHBondContact CD2-O 3.3Å; Y65-F528 HydrophobicContact CG-CD1 4.22Å; E526-F528 PolarHBondContact O-N 3.48Å; F528-K532 HydrophobicContact CD2-CD 3.96Å; F528-K532 HydrophobicContact CD2-CG 4.24Å; F528-K532 HydrophobicContact CE2-CD 4.07Å; F528-K532 HydrophobicContact CE2-CG 3.95Å; F528-K532 HydrophobicContact CG-CD 4.5Å; F528-K532 HydrophobicContact CZ-CG 4.13Å; F528-L533 HydrophobicContact CD1-CB 4.26Å; F528-L533 VanDerWaalsContact CE1-CA 3.46Å; F528-L533 HydrophobicContact CE1-CB 3.68Å; F528-L533 HydrophobicContact CE1-CD1 3.9Å; F528-L533 HydrophobicContact CE1-CG 4.4Å; F528-E536 WeakPolarHBondContact CE2-OE1 3.46Å; F528-E536 WeakPolarHBondContact CE2-OE2 3.24Å; F528-E536 HydrophobicContact CZ-CB 4.5Å; F528-E536 HydrophobicContact CZ-CG 4.42Å; F528-E536 WeakPolarHBondContact CZ-OE2 3.42Å
529S86.3Confident89.6Confident58 Ų5853.7 Ų53.741%0.40631%0.307SS..  trans-59.3155.2174.571.80000112.9A531 K532 L533S529-A531 PolarHBondContact O-N 3.35Å; S529-A531 VanDerWaalsContact O-N 3.14Å; S529-K532 WeakPolarHBondContact O-CA 3.35Å; S529-K532 WeakPolarHBondContact O-CB 3.42Å; S529-K532 PolarHBondContact O-N 2.98Å; S529-L533 PolarHBondContact O-N 3.37Å
530L88.4Confident89.9Confident102 Ų10255.1 Ų55.153%0.53431%0.314SS..Hα-helixtrans-55.5-31.5177.2171.9149.5000113.1L533 F534L530-L533 WeakPolarHBondContact O-CB 3.33Å; L530-L533 PolarHBondContact O-N 2.95Å; L530-F534 HydrophobicContact CD1-CE2 4.3Å; L530-F534 HydrophobicContact CD2-CD2 3.81Å; L530-F534 HydrophobicContact CD2-CE2 3.73Å; L530-F534 HydrophobicContact CG-CD2 4.05Å; L530-F534 HydrophobicContact CG-CE2 3.8Å; L530-F534 VanDerWaalsContact O-CD2 3.25Å; L530-F534 WeakPolarHBondContact O-CD2 3.46Å; L530-F534 PolarHBondContact O-N 3.28Å
531A90.1Very high89.8Confident69 Ų6954 Ų5457%0.5731%0.312SS*.Hα-helixtrans-66.6-38.6174.200000112.3S529 F534 S535S529-A531 PolarHBondContact O-N 3.35Å; S529-A531 VanDerWaalsContact O-N 3.14Å; A531-F534 PolarHBondContact O-N 2.91Å; A531-S535 WeakPolarHBondContact O-CB 3.18Å; A531-S535 PolarHBondContact O-N 2.86Å
532K90.3Very high89.8Confident78 Ų7856.6 Ų56.634%0.33933%0.33SS..Hα-helixtrans-68.1-39.1175.4-175.5171.2167-1740111.6I527 F528 S529 F534 S535 E536I527-K532 PolarHBondContact O-NZ 3.3Å; F528-K532 HydrophobicContact CD2-CD 3.96Å; F528-K532 HydrophobicContact CD2-CG 4.24Å; F528-K532 HydrophobicContact CE2-CD 4.07Å; F528-K532 HydrophobicContact CE2-CG 3.95Å; F528-K532 HydrophobicContact CG-CD 4.5Å; F528-K532 HydrophobicContact CZ-CG 4.13Å; S529-K532 WeakPolarHBondContact O-CA 3.35Å; S529-K532 WeakPolarHBondContact O-CB 3.42Å; S529-K532 PolarHBondContact O-N 2.98Å; K532-F534 PolarHBondContact O-N 3.41Å; K532-S535 WeakPolarHBondContact O-CB 3.46Å; K532-S535 PolarHBondContact O-N 2.97Å; K532-E536 WeakPolarHBondContact CE-OE1 3.31Å; K532-E536 HydrophobicContact CG-CG 4.47Å; K532-E536 WeakPolarHBondContact CG-OE1 3.39Å; K532-E536 PolarHBondContact O-N 3.44Å
533L91.8Very high89.8Confident22 Ų2262.5 Ų62.512%0.11536%0.36CS..Hα-helixtrans-55-52.1171.7178.563.9000112.3V61 V62 Y65 F528 S529 L530 S535 E536 V537V61-L533 HydrophobicContact CG1-CD1 3.92Å; V62-L533 HydrophobicContact CG2-CD1 4.36Å; Y65-L533 HydrophobicContact CD1-CD2 3.67Å; Y65-L533 HydrophobicContact CE1-CD2 3.81Å; Y65-L533 HydrophobicContact CG-CD2 4.06Å; F528-L533 HydrophobicContact CD1-CB 4.26Å; F528-L533 VanDerWaalsContact CE1-CA 3.46Å; F528-L533 HydrophobicContact CE1-CB 3.68Å; F528-L533 HydrophobicContact CE1-CD1 3.9Å; F528-L533 HydrophobicContact CE1-CG 4.4Å; S529-L533 PolarHBondContact O-N 3.37Å; L530-L533 WeakPolarHBondContact O-CB 3.33Å; L530-L533 PolarHBondContact O-N 2.95Å; L533-S535 VanDerWaalsContact C-N 3.32Å; L533-S535 PolarHBondContact O-N 3.24Å; L533-E536 PolarHBondContact O-N 3.47Å; L533-V537 HydrophobicContact CD1-CG2 3.97Å; L533-V537 WeakPolarHBondContact O-CB 3.41Å; L533-V537 VanDerWaalsContact O-CG2 3.3Å; L533-V537 WeakPolarHBondContact O-CG2 3.32Å; L533-V537 PolarHBondContact O-N 3.22Å
534F90.7Very high89.7Confident139 Ų13961.8 Ų61.861%0.6136%0.355SS*.Hα-helixtrans-67-32.3178.6-75.5-62.6000113L530 A531 K532 G538L530-F534 HydrophobicContact CD1-CE2 4.3Å; L530-F534 HydrophobicContact CD2-CD2 3.81Å; L530-F534 HydrophobicContact CD2-CE2 3.73Å; L530-F534 HydrophobicContact CG-CD2 4.05Å; L530-F534 HydrophobicContact CG-CE2 3.8Å; L530-F534 VanDerWaalsContact O-CD2 3.25Å; L530-F534 WeakPolarHBondContact O-CD2 3.46Å; L530-F534 PolarHBondContact O-N 3.28Å; A531-F534 PolarHBondContact O-N 2.91Å; K532-F534 PolarHBondContact O-N 3.41Å; F534-G538 PolarHBondContact O-N 3.49Å
535S93Very high89.4Confident86 Ų8662.8 Ų62.860%0.60136%0.361SS*.Hα-helixtrans-64.5-50.6174.5-168.60000112.1A531 K532 L533 G538 G539A531-S535 WeakPolarHBondContact O-CB 3.18Å; A531-S535 PolarHBondContact O-N 2.86Å; K532-S535 WeakPolarHBondContact O-CB 3.46Å; K532-S535 PolarHBondContact O-N 2.97Å; L533-S535 VanDerWaalsContact C-N 3.32Å; L533-S535 PolarHBondContact O-N 3.24Å; S535-G538 PolarHBondContact O-N 3.5Å; S535-G539 PolarHBondContact O-N 3.23Å
536E93.5Very high89Confident69 Ų6960 Ų6032%0.32236%0.356SS..Hα-helixtrans-69.6-43.2-178.6-70.1-176.7-155.900112.1V61 F528 K532 L533 G538 G539 L540V61-E536 HydrophobicContact CG1-CB 4.29Å; F528-E536 WeakPolarHBondContact CE2-OE1 3.46Å; F528-E536 WeakPolarHBondContact CE2-OE2 3.24Å; F528-E536 HydrophobicContact CZ-CB 4.5Å; F528-E536 HydrophobicContact CZ-CG 4.42Å; F528-E536 WeakPolarHBondContact CZ-OE2 3.42Å; K532-E536 WeakPolarHBondContact CE-OE1 3.31Å; K532-E536 HydrophobicContact CG-CG 4.47Å; K532-E536 WeakPolarHBondContact CG-OE1 3.39Å; K532-E536 PolarHBondContact O-N 3.44Å; L533-E536 PolarHBondContact O-N 3.47Å; E536-G538 VanDerWaalsContact C-N 3.33Å; E536-G538 PolarHBondContact O-N 2.89Å; E536-G539 PolarHBondContact O-N 3.44Å; E536-L540 VanDerWaalsContact O-CG 3.32Å; E536-L540 WeakPolarHBondContact O-CG 3.35Å; E536-L540 PolarHBondContact O-N 3.49Å
537V92.7Very high88.7Confident33 Ų3359.9 Ų59.920%0.236%0.355CS..Hα-helixtrans-62.8-39.6174173.10000111.2I58 V61 L533 L540 C541I58-V537 HydrophobicContact CD1-CG1 4.24Å; I58-V537 HydrophobicContact CG1-CG1 4.41Å; V61-V537 HydrophobicContact CG1-CG2 4.39Å; L533-V537 HydrophobicContact CD1-CG2 3.97Å; L533-V537 WeakPolarHBondContact O-CB 3.41Å; L533-V537 VanDerWaalsContact O-CG2 3.3Å; L533-V537 WeakPolarHBondContact O-CG2 3.32Å; L533-V537 PolarHBondContact O-N 3.22Å; V537-L540 PolarHBondContact O-N 3.39Å; V537-C541 WeakPolarHBondContact O-CB 3.17Å; V537-C541 PolarHBondContact O-N 3.42Å; V537-C541 PolarHBondContact O-SG 3.02Å; V537-C541 VanDerWaalsContact O-SG 3.33Å
538G90.6Very high88.5Confident38 Ų3858.4 Ų58.439%0.39235%0.351SS..Hα-helixtrans-61.7-44.5173.500000112.7F534 S535 E536 C541 S542F534-G538 PolarHBondContact O-N 3.49Å; S535-G538 PolarHBondContact O-N 3.5Å; E536-G538 VanDerWaalsContact C-N 3.33Å; E536-G538 PolarHBondContact O-N 2.89Å; G538-C541 PolarHBondContact O-N 2.91Å; G538-S542 WeakPolarHBondContact O-CB 3.41Å; G538-S542 PolarHBondContact O-N 3.43Å
539G92.5Very high88.3Confident42 Ų4262 Ų6243%0.43338%0.377SS..Hα-helixtrans-60.6-44.8174.900000113S535 E536 S542 L543S535-G539 PolarHBondContact O-N 3.23Å; E536-G539 PolarHBondContact O-N 3.44Å; G539-S542 PolarHBondContact O-N 2.95Å; G539-L543 WeakPolarHBondContact O-CB 3.43Å; G539-L543 PolarHBondContact O-N 2.98Å
540L93.1Very high88Confident33 Ų3364.6 Ų64.617%0.17339%0.385CS..Hα-helixtrans-63.1-47.1176.4-70.1172.1000112.1L54 C57 I58 V61 E536 V537 S542 L543 F544L54-L540 HydrophobicContact CD1-CB 3.71Å; C57-L540 HydrophobicContact CB-CD1 3.85Å; C57-L540 HydrophobicContact CB-CD2 3.78Å; C57-L540 HydrophobicContact CB-CG 4.43Å; I58-L540 HydrophobicContact CG1-CD1 4.19Å; V61-L540 HydrophobicContact CG2-CD1 3.96Å; E536-L540 VanDerWaalsContact O-CG 3.32Å; E536-L540 WeakPolarHBondContact O-CG 3.35Å; E536-L540 PolarHBondContact O-N 3.49Å; V537-L540 PolarHBondContact O-N 3.39Å; L540-S542 VanDerWaalsContact C-N 3.29Å; L540-S542 PolarHBondContact O-N 3.39Å; L540-L543 PolarHBondContact O-N 3.36Å; L540-F544 HydrophobicContact CD2-CD2 4.46Å; L540-F544 HydrophobicContact CD2-CE2 4.04Å; L540-F544 WeakPolarHBondContact O-CD2 3.49Å; L540-F544 PolarHBondContact O-N 3.35Å
541C89.5Confident87.4Confident27 Ų2761.4 Ų61.418%0.18237%0.367CS..Hα-helixtrans-60.7-38.2176.6-73.90000112.2V537 G538 I545 F547V537-C541 WeakPolarHBondContact O-CB 3.17Å; V537-C541 PolarHBondContact O-N 3.42Å; V537-C541 PolarHBondContact O-SG 3.02Å; V537-C541 VanDerWaalsContact O-SG 3.33Å; G538-C541 PolarHBondContact O-N 2.91Å; C541-I545 WeakPolarHBondContact O-CB 3.24Å; C541-I545 PolarHBondContact O-N 2.9Å; C541-F547 HydrophobicContact CB-CB 3.98Å; C541-F547 HydrophobicContact CB-CD1 4.42Å; C541-F547 HydrophobicContact CB-CG 4.35Å; C541-F547 WeakPolarHBondContact O-CB 3.3Å; C541-F547 PolarHBondContact O-N 3.45Å
542S89.6Confident86.9Confident64 Ų6462.4 Ų62.445%0.44836%0.363SS..Hα-helixtrans-64.5-46.3173.3-171.40000111.9G538 G539 L540 G546 F547G538-S542 WeakPolarHBondContact O-CB 3.41Å; G538-S542 PolarHBondContact O-N 3.43Å; G539-S542 PolarHBondContact O-N 2.95Å; L540-S542 VanDerWaalsContact C-N 3.29Å; L540-S542 PolarHBondContact O-N 3.39Å; S542-G546 WeakPolarHBondContact O-CA 3.22Å; S542-G546 PolarHBondContact O-N 2.92Å; S542-F547 VanDerWaalsContact CA-O 3.24Å; S542-F547 WeakPolarHBondContact CA-O 3.42Å; S542-F547 WeakPolarHBondContact CB-O 3.4Å
543L89.4Confident86.5Confident133 Ų13365.5 Ų65.570%0.69638%0.376SS*.Hα-helixtrans-67-46.7-177.2-175.1149.7000113.6G539 L540G539-L543 WeakPolarHBondContact O-CB 3.43Å; G539-L543 PolarHBondContact O-N 2.98Å; L540-L543 PolarHBondContact O-N 3.36Å
544F88.7Confident86Confident41 Ų4167.9 Ų67.918%0.1839%0.387CS..Hα-helixtrans-85.5-31.6-173.5-78.5-80.1000114.2M50 L54 C57 L540M50-F544 HydrophobicContact CB-CD1 4.14Å; M50-F544 WeakPolarHBondContact O-CD1 3.07Å; M50-F544 HydrophobicContact SD-CD1 3.82Å; M50-F544 HydrophobicContact SD-CE1 4.13Å; L54-F544 HydrophobicContact CB-CB 3.79Å; L54-F544 HydrophobicContact CB-CD1 4.47Å; L54-F544 HydrophobicContact CB-CD2 4Å; L54-F544 HydrophobicContact CB-CG 3.85Å; L54-F544 HydrophobicContact CD1-CB 4.16Å; L54-F544 HydrophobicContact CD1-CD2 3.82Å; L54-F544 HydrophobicContact CD1-CG 4.31Å; L54-F544 HydrophobicContact CD2-CB 4.39Å; L54-F544 HydrophobicContact CG-CB 4.33Å; C57-F544 HydrophobicContact CB-CE2 4.23Å; L540-F544 HydrophobicContact CD2-CD2 4.46Å; L540-F544 HydrophobicContact CD2-CE2 4.04Å; L540-F544 WeakPolarHBondContact O-CD2 3.49Å; L540-F544 PolarHBondContact O-N 3.35Å
545I84.3Confident85.4Confident40 Ų4064.9 Ų64.921%0.20538%0.377CS..Hα-helixtrans-115.1-17-173.3-71.2-179.9000112.6L25 P27 F51 L54 C541 F547L25-I545 HydrophobicContact CD2-CG2 3.64Å; P27-I545 WeakPolarHBondContact CD-O 3.41Å; P27-I545 WeakPolarHBondContact CG-O 3.36Å; F51-I545 HydrophobicContact CD2-CD1 4.09Å; L54-I545 HydrophobicContact CD2-CD1 3.36Å; L54-I545 HydrophobicContact CD2-CG1 3.88Å; C541-I545 WeakPolarHBondContact O-CB 3.24Å; C541-I545 PolarHBondContact O-N 2.9Å; I545-F547 VanDerWaalsContact C-N 3.27Å; I545-F547 HydrophobicContact CG2-CB 4.25Å
546G81Confident85Confident31 Ų3165 Ų6532%0.3237%0.37SS..  trans74.220.7-166.200000112.6S542 S548S542-G546 WeakPolarHBondContact O-CA 3.22Å; S542-G546 PolarHBondContact O-N 2.92Å; G546-S548 PolarHBondContact O-N 2.98Å
547F79.2Confident84.5Confident63 Ų6367.4 Ų67.428%0.27638%0.381SS..  trans-67.8124.9179.5-170.1-82.7000110.2L25 C541 S542 I545 F551 L552L25-F547 HydrophobicContact CD2-CD2 4.16Å; C541-F547 HydrophobicContact CB-CB 3.98Å; C541-F547 HydrophobicContact CB-CD1 4.42Å; C541-F547 HydrophobicContact CB-CG 4.35Å; C541-F547 WeakPolarHBondContact O-CB 3.3Å; C541-F547 PolarHBondContact O-N 3.45Å; S542-F547 VanDerWaalsContact CA-O 3.24Å; S542-F547 WeakPolarHBondContact CA-O 3.42Å; S542-F547 WeakPolarHBondContact CB-O 3.4Å; I545-F547 VanDerWaalsContact C-N 3.27Å; I545-F547 HydrophobicContact CG2-CB 4.25Å; F547-F551 AromaticContact CD2-CD1 3.88Å; F547-F551 HydrophobicContact CD2-CD1 3.88Å; F547-F551 HydrophobicContact CD2-CE1 4.4Å; F547-F551 AromaticContact CE2-CD1 3.3Å; F547-F551 HydrophobicContact CE2-CD1 3.3Å; F547-F551 AromaticContact CE2-CE1 3.74Å; F547-F551 HydrophobicContact CE2-CE1 3.74Å; F547-F551 HydrophobicContact CE2-CG 4.29Å; F547-F551 AromaticContact CZ-CD1 3.86Å; F547-F551 HydrophobicContact CZ-CD1 3.86Å; F547-L552 HydrophobicContact CE1-CD1 4.27Å; F547-L552 HydrophobicContact CE1-CD2 4.39Å; F547-L552 HydrophobicContact CE1-CG 4Å; F547-L552 HydrophobicContact CZ-CD1 4.48Å; F547-L552 HydrophobicContact CZ-CD2 3.79Å; F547-L552 HydrophobicContact CZ-CG 3.83Å
548S80.1Confident83.9Confident42 Ų4268.6 Ų68.629%0.29439%0.394SS..  trans-123.8161.117771.40000110.8G546 I550 F551G546-S548 PolarHBondContact O-N 2.98Å; S548-I550 PolarHBondContact O-N 2.97Å; S548-I550 VanDerWaalsContact O-N 3.11Å; S548-I550 PolarHBondContact OG-N 2.9Å; S548-F551 WeakPolarHBondContact O-CB 3.43Å; S548-F551 PolarHBondContact O-N 3.38Å
549C78.5Confident83.5Confident93 Ų9371 Ų7163%0.62840%0.398SS*.Hα-helixtrans-59.9-21.1172.8-570000112.5F551 L552 F553C549-F551 VanDerWaalsContact C-N 3.34Å; C549-L552 WeakPolarHBondContact O-CB 3.41Å; C549-L552 PolarHBondContact O-N 3.39Å; C549-F553 WeakPolarHBondContact O-CD2 3.48Å; C549-F553 PolarHBondContact O-N 2.92Å
550I79.9Confident83.1Confident111 Ų11173.3 Ų73.357%0.56940%0.399SS*.Hα-helixtrans-65.2-38.3173.6-55.7175000110.5S548 L552 F553 E554S548-I550 PolarHBondContact O-N 2.97Å; S548-I550 VanDerWaalsContact O-N 3.11Å; S548-I550 PolarHBondContact OG-N 2.9Å; I550-L552 VanDerWaalsContact C-N 3.26Å; I550-L552 PolarHBondContact O-N 2.94Å; I550-F553 CarbonylContact O-C 3.58Å; I550-F553 WeakPolarHBondContact O-CA 3.42Å; I550-F553 PolarHBondContact O-N 3.27Å; I550-E554 HydrophobicContact CG2-CG 4.33Å; I550-E554 WeakPolarHBondContact O-CG 3.34Å; I550-E554 PolarHBondContact O-N 3.03Å
551F77.5Confident82.6Confident35 Ų3577.4 Ų77.415%0.15442%0.421CS..Hα-helixtrans-61.8-32.9174.5178.9-94.9000112.4S24 L25 F547 S548 C549 F553 E554 L555S24-F551 WeakPolarHBondContact OG-CD2 3.36Å; L25-F551 HydrophobicContact CD1-CD2 4.38Å; L25-F551 HydrophobicContact CD1-CE2 3.66Å; L25-F551 HydrophobicContact CD1-CZ 3.75Å; L25-F551 HydrophobicContact CD2-CD2 4.15Å; L25-F551 HydrophobicContact CD2-CE2 4.22Å; L25-F551 HydrophobicContact CD2-CG 4.31Å; L25-F551 HydrophobicContact CD2-CZ 4.46Å; L25-F551 HydrophobicContact CG-CD2 3.91Å; L25-F551 HydrophobicContact CG-CE2 3.68Å; L25-F551 HydrophobicContact CG-CZ 4.17Å; F547-F551 AromaticContact CD2-CD1 3.88Å; F547-F551 HydrophobicContact CD2-CD1 3.88Å; F547-F551 HydrophobicContact CD2-CE1 4.4Å; F547-F551 AromaticContact CE2-CD1 3.3Å; F547-F551 HydrophobicContact CE2-CD1 3.3Å; F547-F551 AromaticContact CE2-CE1 3.74Å; F547-F551 HydrophobicContact CE2-CE1 3.74Å; F547-F551 HydrophobicContact CE2-CG 4.29Å; F547-F551 AromaticContact CZ-CD1 3.86Å; F547-F551 HydrophobicContact CZ-CD1 3.86Å; S548-F551 WeakPolarHBondContact O-CB 3.43Å; S548-F551 PolarHBondContact O-N 3.38Å; C549-F551 VanDerWaalsContact C-N 3.34Å; F551-F553 VanDerWaalsContact C-N 3.33Å; F551-E554 PolarHBondContact O-N 3.07Å; F551-L555 HydrophobicContact CE1-CB 4.36Å; F551-L555 HydrophobicContact CE1-CD1 3.76Å; F551-L555 HydrophobicContact CZ-CD1 3.97Å; F551-L555 WeakPolarHBondContact O-CB 3.43Å; F551-L555 PolarHBondContact O-N 2.98Å
552L78.8Confident82Confident91 Ų9182.9 Ų82.948%0.47645%0.445SS..Hα-helixtrans-64-39.2172.8-71.9171.9000111.3F547 C549 I550 L556F547-L552 HydrophobicContact CE1-CD1 4.27Å; F547-L552 HydrophobicContact CE1-CD2 4.39Å; F547-L552 HydrophobicContact CE1-CG 4Å; F547-L552 HydrophobicContact CZ-CD1 4.48Å; F547-L552 HydrophobicContact CZ-CD2 3.79Å; F547-L552 HydrophobicContact CZ-CG 3.83Å; C549-L552 WeakPolarHBondContact O-CB 3.41Å; C549-L552 PolarHBondContact O-N 3.39Å; I550-L552 VanDerWaalsContact C-N 3.26Å; I550-L552 PolarHBondContact O-N 2.94Å; L552-L556 VanDerWaalsContact O-CB 3.27Å; L552-L556 WeakPolarHBondContact O-CB 3.32Å; L552-L556 PolarHBondContact O-N 3.33Å
553F82.1Confident81.4Confident143 Ų14389.1 Ų89.163%0.62746%0.46SS*.Hα-helixtrans-71-40.8174.4-68-70.5000112.7C549 I550 F551 L555 L556 E557C549-F553 WeakPolarHBondContact O-CD2 3.48Å; C549-F553 PolarHBondContact O-N 2.92Å; I550-F553 CarbonylContact O-C 3.58Å; I550-F553 WeakPolarHBondContact O-CA 3.42Å; I550-F553 PolarHBondContact O-N 3.27Å; F551-F553 VanDerWaalsContact C-N 3.33Å; F553-L555 VanDerWaalsContact C-N 3.31Å; F553-L555 PolarHBondContact O-N 3.32Å; F553-L556 PolarHBondContact O-N 2.78Å; F553-E557 WeakPolarHBondContact O-CB 3.25Å; F553-E557 PolarHBondContact O-N 3.5Å
554E81.4Confident80.5Confident71 Ų7191.6 Ų91.633%0.33246%0.462SS..Hα-helixtrans-58.6-41.6172.7-69.2171.3173.100111.5S24 I550 F551 A558S24-E554 WeakPolarHBondContact CB-OE2 3.23Å; S24-E554 PolarHBondContact OG-OE2 3.21Å; I550-E554 HydrophobicContact CG2-CG 4.33Å; I550-E554 WeakPolarHBondContact O-CG 3.34Å; I550-E554 PolarHBondContact O-N 3.03Å; F551-E554 PolarHBondContact O-N 3.07Å; E554-A558 WeakPolarHBondContact O-CB 3.27Å; E554-A558 PolarHBondContact O-N 2.96Å
555L78Confident79Confident76 Ų7694.6 Ų94.640%0.39849%0.485SS..Hα-helixtrans-71.4-37.2177.2-176.9146.2000112F551 F553 A558 L559F551-L555 HydrophobicContact CE1-CB 4.36Å; F551-L555 HydrophobicContact CE1-CD1 3.76Å; F551-L555 HydrophobicContact CZ-CD1 3.97Å; F551-L555 WeakPolarHBondContact O-CB 3.43Å; F551-L555 PolarHBondContact O-N 2.98Å; F553-L555 VanDerWaalsContact C-N 3.31Å; F553-L555 PolarHBondContact O-N 3.32Å; L555-A558 PolarHBondContact O-N 3.19Å; L555-L559 HydrophobicContact CD2-CD1 3.67Å; L555-L559 HydrophobicContact CD2-CG 4.27Å; L555-L559 WeakPolarHBondContact O-CB 3.49Å; L555-L559 WeakPolarHBondContact O-CG 3.48Å; L555-L559 PolarHBondContact O-N 3.5Å
556L83.7Confident77.3Confident88 Ų8898.6 Ų98.646%0.46152%0.517SS..Hα-helixtrans-67.6-41.9175.5-154170.3000110.6L552 F553 L559 I560L552-L556 VanDerWaalsContact O-CB 3.27Å; L552-L556 WeakPolarHBondContact O-CB 3.32Å; L552-L556 PolarHBondContact O-N 3.33Å; F553-L556 PolarHBondContact O-N 2.78Å; L556-L559 PolarHBondContact O-N 2.94Å; L556-I560 HydrophobicContact CD2-CD1 3.41Å; L556-I560 VanDerWaalsContact CD2-CD1 3.41Å; L556-I560 HydrophobicContact CD2-CG1 3.96Å; L556-I560 WeakPolarHBondContact O-CG1 3.44Å; L556-I560 PolarHBondContact O-N 2.94Å
557E84.3Confident75.5Confident121 Ų121104 Ų10457%0.56554%0.538SS*.Hα-helixtrans-59.2-48.6170.4-177.6179.9-17200111.2F553 L559 I560 L561F553-E557 WeakPolarHBondContact O-CB 3.25Å; F553-E557 PolarHBondContact O-N 3.5Å; E557-L559 VanDerWaalsContact C-N 3.3Å; E557-L559 PolarHBondContact O-N 3.27Å; E557-I560 PolarHBondContact O-N 3.44Å; E557-I560 VanDerWaalsContact O-N 3.17Å; E557-L561 HydrophobicContact CG-CD1 3.9Å; E557-L561 HydrophobicContact CG-CG 4.32Å; E557-L561 WeakPolarHBondContact O-CB 3.16Å; E557-L561 WeakPolarHBondContact O-CG 3.44Å; E557-L561 PolarHBondContact O-N 3.2Å
558A79.3Confident73.7Confident57 Ų57110 Ų11047%0.47156%0.564SS.*Hα-helixtrans-60.3-38.2177.500000112.6E554 L555 M562E554-A558 WeakPolarHBondContact O-CB 3.27Å; E554-A558 PolarHBondContact O-N 2.96Å; L555-A558 PolarHBondContact O-N 3.19Å; A558-M562 WeakPolarHBondContact O-CB 3.37Å; A558-M562 PolarHBondContact O-N 3.21Å
559L81.6Confident71.9Confident88 Ų88118.9 Ų118.946%0.46159%0.593SS.*Hα-helixtrans-67-43.2173.5-75.3175.4000112.1L555 L556 E557 M562 Y563L555-L559 HydrophobicContact CD2-CD1 3.67Å; L555-L559 HydrophobicContact CD2-CG 4.27Å; L555-L559 WeakPolarHBondContact O-CB 3.49Å; L555-L559 WeakPolarHBondContact O-CG 3.48Å; L555-L559 PolarHBondContact O-N 3.5Å; L556-L559 PolarHBondContact O-N 2.94Å; E557-L559 VanDerWaalsContact C-N 3.3Å; E557-L559 PolarHBondContact O-N 3.27Å; L559-M562 PolarHBondContact O-N 2.98Å; L559-Y563 WeakPolarHBondContact O-CB 3.21Å; L559-Y563 PolarHBondContact O-N 2.95Å
560I85.4Confident69.8Low92 Ų92124.6 Ų124.647%0.47261%0.607SS.*Hα-helixtrans-59.7-47.8174.6-72.7167.5000110.4L556 E557 M562 Y563 Y564L556-I560 HydrophobicContact CD2-CD1 3.41Å; L556-I560 VanDerWaalsContact CD2-CD1 3.41Å; L556-I560 HydrophobicContact CD2-CG1 3.96Å; L556-I560 WeakPolarHBondContact O-CG1 3.44Å; L556-I560 PolarHBondContact O-N 2.94Å; E557-I560 PolarHBondContact O-N 3.44Å; E557-I560 VanDerWaalsContact O-N 3.17Å; I560-M562 VanDerWaalsContact C-N 3.25Å; I560-M562 PolarHBondContact O-N 3.11Å; I560-Y563 PolarHBondContact O-N 2.89Å; I560-Y564 HydrophobicContact CG2-CD2 4.49Å; I560-Y564 PolarHBondContact O-N 3.42Å
561L82.2Confident68Low119 Ų119128.5 Ų128.562%0.62362%0.62SS**Hα-helixtrans-65.8-26178.8-69.4174.2000113E557E557-L561 HydrophobicContact CG-CD1 3.9Å; E557-L561 HydrophobicContact CG-CG 4.32Å; E557-L561 WeakPolarHBondContact O-CB 3.16Å; E557-L561 WeakPolarHBondContact O-CG 3.44Å; E557-L561 PolarHBondContact O-N 3.2Å
562M77.3Confident66.2Low141 Ų141132.1 Ų132.170%0.69565%0.65SS**Hα-helixtrans-80.6-34.7172.4-162.8-175.379.300112.6A558 L559 I560A558-M562 WeakPolarHBondContact O-CB 3.37Å; A558-M562 PolarHBondContact O-N 3.21Å; L559-M562 PolarHBondContact O-N 2.98Å; I560-M562 VanDerWaalsContact C-N 3.25Å; I560-M562 PolarHBondContact O-N 3.11Å
563Y76.7Confident64.3Low195 Ų195134.3 Ų134.377%0.76566%0.661SS**Hα-helixtrans-80.8-27.2180-111.7-91.9000113.8L559 I560 P565L559-Y563 WeakPolarHBondContact O-CB 3.21Å; L559-Y563 PolarHBondContact O-N 2.95Å; I560-Y563 PolarHBondContact O-N 2.89Å; Y563-P565 VanDerWaalsContact O-CD 3.28Å; Y563-P565 WeakPolarHBondContact O-CD 3.34Å
564Y70.8Confident62.3Low185 Ų185132.8 Ų132.873%0.72567%0.665SS**SBendtrans-75.5112.9171.9-113.1-90.7000110.1I560 S566I560-Y564 HydrophobicContact CG2-CD2 4.49Å; I560-Y564 PolarHBondContact O-N 3.42Å; Y564-S566 PolarHBondContact O-N 3.29Å; Y564-S566 VanDerWaalsContact O-N 3.09Å
565P56.7Low60Low104 Ų104138.6 Ų138.668%0.67569%0.69SS**  trans-67.2116.1-174.926.4-33.8000110.6Y563 N567Y563-P565 VanDerWaalsContact O-CD 3.28Å; Y563-P565 WeakPolarHBondContact O-CD 3.34Å; P565-N567 VanDerWaalsContact C-N 3.33Å; P565-N567 PolarHBondContact O-N 2.94Å
566S49.3Very low58.3Low124 Ų124142 Ų14287%0.86771%0.708SS**  trans-60.986.4-179.2169.30000112.3Y564Y564-S566 PolarHBondContact O-N 3.29Å; Y564-S566 VanDerWaalsContact O-N 3.09Å
567N43.3Very low55.9Low144 Ų144144.3 Ų144.377%0.7773%0.726SS**  trans-128.1113.8-177.5-140.7-11.6000109.3P565P565-N567 VanDerWaalsContact C-N 3.33Å; P565-N567 PolarHBondContact O-N 2.94Å
568K41.7Very low53.8Low190 Ų190146.2 Ų146.283%0.82674%0.738SS**SBendtrans76.998.5-162.3-49.5162.1-176.5172.40114.5
569Y41.5Very low51.8Low228 Ų228149.7 Ų149.789%0.89475%0.749SS**  -173.3100.9107.6-108-75.7000109.9
570K35.2Very low49.8Very low214 Ų214151.1 Ų151.193%0.9376%0.757SS**  trans-135.578.5-179.3-162.9179-172.8179.40110.6
571K40.3Very low47.6Very low192 Ų192152.9 Ų152.984%0.83577%0.768SS**  trans-139.8100.6170.1-162.5173.7-173.4-179.30110.3
572S40.6Very low45.6Very low111 Ų111153.3 Ų153.378%0.77677%0.771SS**  trans-72.7138.7174.749.20000111.5
573I39.1Very low43.8Very low138 Ų138152.9 Ų152.971%0.70877%0.771SS**  trans-126.8118.7159.9-59.7179.1000106.6
574P38.9Very low41.9Very low111 Ų111149.1 Ų149.172%0.72177%0.769SS**  trans-84.4141.3176.133.4-32.2000110.7
575F34.8Very low40.4Very low193 Ų193146.4 Ų146.485%0.84677%0.767SS**  trans-110117.8165-102.7-87.2000109.5
576N40.6Very low39.6Very low148 Ų148148.2 Ų148.279%0.79177%0.771SS**  trans-80.9132.7170.6-83.2-11000109.8
577T33.4Very low39.2Very low136 Ų136147.1 Ų147.183%0.83476%0.763SS**  trans-90.1113.4167.9-45.20000109.3
578I41Very low39.1Very low160 Ų160146.3 Ų146.382%0.82176%0.759SS**  trans-129.3147162.7-65.8-174.5000108.3
579N37.5Very low39.1Very low131 Ų131143.7 Ų143.770%0.70175%0.754SS**  trans-97166.1-156.5-129.45.5000113.8
580N38.8Very low39.1Very low117 Ų117137.5 Ų137.563%0.62674%0.744SS**  trans73.3113.9149.4-65.80.2000121
581N39.8Very low39.4Very low129 Ų129133.5 Ų133.569%0.6973%0.733SS**  86.7126.5119.9-65.53.9000121.9
582N39.8Very low39.5Very low128 Ų128130.3 Ų130.368%0.68472%0.724SS**  trans82.4107.7140.2-620.6000120.1
583N39Very low39.6Very low132 Ų132130.7 Ų130.771%0.70672%0.718SS**  85.7109124.4-66.61.7000120.9
584T37.9Very low39.7Very low116 Ų116129.9 Ų129.971%0.71272%0.715SS**  84.3131.6122.558.30000121.7
585N39.9Very low39.8Very low128 Ų128130.3 Ų130.368%0.68471%0.711SS**  trans84.495.9140.7-63.2-5.3000121
586N39.7Very low40Very low142 Ų142127.7 Ų127.776%0.75971%0.706SS**  79.6148116.7-69.1-9.8000122
587S40.4Very low39.8Very low101 Ų101125.8 Ų125.871%0.70670%0.7SS**  trans78143.1150.7-71.70000119.3
588N41.7Very low40.1Very low127 Ų127126.5 Ų126.568%0.67970%0.699SS**  cis-168.3148-29.1-120-19.9000111
589N40.8Very low39.9Very low136 Ų136123.6 Ų123.673%0.72769%0.692SS**  trans56.9152.5146.3-71.3-16.7000123.4
590S42.2Very low40Very low97 Ų97124.1 Ų124.168%0.67870%0.695SS**  trans81.8143.1142.3-75.40000120.6
591N41.7Very low40Very low131 Ų131126 Ų12670%0.70170%0.703SS**  cis-174.5165-26.7-117.4-7.9000110
592N42.1Very low39.9Very low124 Ų124126 Ų12666%0.66371%0.708SS**  trans68.2153.4154.6-62.2-8.1000118.2
593N42.5Very low39.8Very low120 Ų120127.4 Ų127.464%0.64271%0.711SS**  cis-165.9160.8-22.4-107.4-11.8000112.4
594N41.4Very low39.8Very low120 Ų120126.3 Ų126.364%0.64271%0.714SS**  trans73.1111.2143.3-682.8000123.8
595N39.9Very low39.9Very low121 Ų121126.1 Ų126.165%0.64771%0.708SS**  86.1117.1116.5-60.3-5.2000123
596N39.1Very low39.8Very low138 Ų138127.1 Ų127.174%0.73871%0.712SS**  66.7142.9124.8-61.40.2000120.1
597T38.2Very low39.3Very low107 Ų107128.6 Ų128.666%0.65671%0.714SS**  cis-161.8154.834.40000111.1
598N37.7Very low39Very low152 Ų152132.7 Ų132.781%0.81372%0.719SS**  trans61.9132.3156.8-55.7-12.7000117.4
599S38.4Very low38.7Very low98 Ų98133.7 Ų133.769%0.68572%0.722SS**  cis-170.5163.142.349.60000113.9
600N38.9Very low38.2Very low143 Ų143133.4 Ų133.477%0.76572%0.72SS**  trans63.798.2145.7-65.91.7000121.4
601I38.6Very low37.7Very low155 Ų155134.9 Ų134.980%0.79572%0.72SS**  169.6119.598.7-89.5151.5000114
602T38.1Very low37.3Very low129 Ų129137.1 Ų137.179%0.79173%0.727SS**  trans44.811615761.80000123.3
603Q37.6Very low36.6Very low159 Ų159141.5 Ų141.574%0.74374%0.74SS**  trans-60.9178.7146.8-81.9174-100.800111.9D605Q603-D605 PolarHBondContact NE2-OD1 3.05Å
604S39.9Very low35.7Very low109 Ų109141 Ų14176%0.76274%0.744SS**  cis-162.9-179.529.8-21.10000109.7
605D38.9Very low35Very low112 Ų112142.2 Ų142.260%0.59975%0.75SS**  cis-178.1170.4-25.4-10873.6000104.1Q603Q603-D605 PolarHBondContact NE2-OD1 3.05Å
606I37.4Very low34.7Very low148 Ų148141.9 Ų141.976%0.75975%0.753SS**  cis-151.8-178.84.9-145.7161.7000109.4
607H29.9Very low34.3Very low174 Ų174141.3 Ų141.381%0.80675%0.754SS**  trans-129.3153.2168-106-84.2000110.1
608K34.9Very low34.1Very low187 Ų187141.1 Ų141.181%0.81376%0.755SS**  trans177.1144.2137.1-102.4168.9179-179.70117.9
609M35.2Very low33.6Very low148 Ų148143 Ų14373%0.72976%0.756SS**  trans66.5117.6141.4-67.316878.500122.7
610N29.6Very low33.1Very low130 Ų130145.1 Ų145.170%0.69576%0.759SS**  32.4140.5104.1-73.361.3000118.9
611D32.4Very low32.7Very low128 Ų128147 Ų14768%0.68476%0.763SS**  cis-158167.624.8-109.9-39.6000114.6
612Q31.8Very low32.2Very low178 Ų178144.3 Ų144.383%0.83276%0.764SS**  trans14.8119.4156.6-61.4179.1-22.400121.6
613K28.3Very low31.7Very low215 Ų215146.1 Ų146.194%0.93577%0.768SS**  -156.7157.4127-127.2173.2-175.6177.60113.2
614C23.9Very low31.2Very low110 Ų110149.6 Ų149.674%0.74378%0.775SS**  trans-143.3168.2179.9-156.10000110.4
615L26.6Very low30.6Very low145 Ų145153 Ų15376%0.75978%0.778SS**  trans75.6143.3174.2-94.269.8000120.2
616T33.8Very low30.1Very low115 Ų115155.3 Ų155.371%0.70679%0.789SS**  trans65.695.3150.351.50000121.9
617T31Very low29.6Very low126 Ų126154.6 Ų154.677%0.77379%0.792SS**  41.9153.5106.955.60000122
618P33.5Very low29.5Very low103 Ų103154.3 Ų154.367%0.66980%0.796SS**  cis-142.7-178.9-12.237.6-17.2000117
619F26.2Very low29.2Very low191 Ų191153.1 Ų153.184%0.83880%0.797SS**  trans67.1148.7142.7-95.9-64000123
620I28.8Very low29Very low143 Ų143153.8 Ų153.873%0.73380%0.802SS**  trans88126.4154.9-69.1157.6000119.2
621Q29.4Very low29Very low183 Ų183152.3 Ų152.386%0.85580%0.799SS**  trans75.184150.9-165165.4-1.400121.4
622A28.6Very low28.8Very low98 Ų98154.3 Ų154.381%0.8181%0.81SS**  trans-161.478.1142.500000112.1
623N27Very low28.7Very low167 Ų167151.1 Ų151.189%0.89380%0.802SS**  trans-138.7104170.9-112.99.3000110.3
624R28.3Very low28.7Very low232 Ų232147 Ų14788%0.87579%0.791SS**  trans-163.5137.2167.1-111.5179.5-175-177.40.6109.3
625H27.8Very low29.1Very low180 Ų180148.4 Ų148.483%0.83379%0.789SS**SBendtrans68.2156.6-175.3-59.2-86.5000116.9
626I28.1Very low29.1Very low160 Ų160148 Ų14882%0.82179%0.788SS**  trans71.169.6175.1-39.3176.4000115.7
627T27.6Very low28.9Very low134 Ų134147.5 Ų147.582%0.82279%0.789SS**  trans-172.2101.2136.28.30000109.3
628D26.7Very low28.7Very low167 Ų167150.2 Ų150.289%0.89380%0.795SS**  trans-176.852.1163.2-105.2-13.8000112.1
629I28.7Very low28.6Very low163 Ų163154.5 Ų154.584%0.83681%0.809SS**  trans-14191.7164.6-52.3179.7000108.6
630I30.5Very low28.7Very low162 Ų162153.6 Ų153.683%0.83181%0.812SS**  trans-124.1115.9161.3-61.2178.6000106.3
631P29.6Very low28.7Very low98 Ų98151.8 Ų151.864%0.63681%0.813SS**  trans-73.4137.317630.1-33000110.1V633P631-V633 PolarHBondContact O-N 3.35Å
632N28.8Very low28.6Very low170 Ų170149.4 Ų149.491%0.90981%0.81SS**  trans-62.6106167.3-92.4-6.9000109.3
633V30.6Very low28.6Very low112 Ų112153 Ų15368%0.67981%0.814SS**  trans-84.6118.1171.9176.80000108.2P631 I635P631-V633 PolarHBondContact O-N 3.35Å; V633-I635 HydrophobicContact CG1-CG1 4.48Å; V633-I635 PolarHBondContact O-N 3.07Å
634N28.2Very low28.7Very low129 Ų129150.7 Ų150.769%0.6981%0.806SS**  trans-64.9123.1176.8-128.345.6000110.4D636N634-D636 PolarHBondContact ND2-OD2 3.16Å
635I31.9Very low28.5Very low139 Ų139146.4 Ų146.471%0.71381%0.806SS**  trans-118.343.7175-42.9-174.1000110.5V633 S637V633-I635 HydrophobicContact CG1-CG1 4.48Å; V633-I635 PolarHBondContact O-N 3.07Å; I635-S637 PolarHBondContact O-N 3.25Å
636D26.6Very low28.6Very low136 Ų136144.6 Ų144.673%0.72780%0.801SS**  trans-75.368.5171-74.3-41.5000111.6N634N634-D636 PolarHBondContact ND2-OD2 3.16Å
637S29Very low28.3Very low105 Ų105143.7 Ų143.773%0.73480%0.803SS**SBendtrans-163.326.8171.162.30000117.4I635I635-S637 PolarHBondContact O-N 3.25Å
638M27.8Very low28.4Very low182 Ų182143.2 Ų143.290%0.89780%0.8SS**SBendtrans-152.642.2-179.4-129.4173.1-160.700120.7
639M30.4Very low28.2Very low194 Ų194141.7 Ų141.796%0.95680%0.797SS**  trans-144.164.2159.1-82.4-142.9174.900114.2
640N27.8Very low28.3Very low171 Ų171142 Ų14291%0.91480%0.8SS**  trans-97.682171.9-119.4-9000111.2
641S29Very low28.1Very low106 Ų106141 Ų14174%0.74180%0.795SS**SBendtrans178.9135.4149.531.10000113.8
642T27.3Very low27.9Very low132 Ų132142.6 Ų142.681%0.8181%0.808SS**  trans46.589.5158.249.20000118.4
643I29.2Very low27.8Very low173 Ų173140.9 Ų140.989%0.88780%0.798SS**  trans-112.1121.7141.8-65.5178.8000107.3
644T29.8Very low27.7Very low119 Ų119142.6 Ų142.673%0.7380%0.804SS**  trans-85.4145.1173.936.50000110.7I646T644-I646 PolarHBondContact O-N 2.99Å
645T23.7Very low27.8Very low142 Ų142143.3 Ų143.387%0.87181%0.806SS**  trans-65.9125.2179.840.20000112.2
646I28.8Very low27.7Very low143 Ų143142.4 Ų142.473%0.73381%0.812SS**  trans-130112.2160.7-64.2179.9000107.8T644 T648T644-I646 PolarHBondContact O-N 2.99Å; I646-T648 HydrophobicContact CG2-CG2 3.99Å
647T22.7Very low27.8Very low140 Ų140141 Ų14186%0.85981%0.813SS**  trans-88.6122.9169.635.60000109.7
648T28.9Very low27.9Very low124 Ų124144 Ų14476%0.76182%0.815SS**  trans-133.689.8170.151.40000111.1I646I646-T648 HydrophobicContact CG2-CG2 3.99Å
649T23.4Very low28Very low135 Ų135141.4 Ų141.483%0.82881%0.805SS**  trans-68.9132151.548.50000108.5
650N30.1Very low28.1Very low169 Ų169138.8 Ų138.890%0.90480%0.795SS**  trans-154.8146.9153.3-115.8-18.6000112
651I26.2Very low28.1Very low141 Ų141137.1 Ų137.172%0.72379%0.786SS**PPolyproline II helixtrans-101.3146.1-176.1-67.2159.3000108.3
652C25.9Very low28.2Very low132 Ų132141.3 Ų141.389%0.89279%0.793SS**PPolyproline II helixtrans-102.1120.9158.5-68.90000108.3
653N26.7Very low28.2Very low134 Ų134143.6 Ų143.672%0.71779%0.792SS**PPolyproline II helixtrans-75.2167.1168.8-60-24.2000109.7
654D28.9Very low28Very low149 Ų149145.2 Ų145.280%0.79779%0.793SS**  -156.7131.1116.7-106-23.8000114
655I29.2Very low27.9Very low144 Ų144144.4 Ų144.474%0.73879%0.792SS**  trans54.798.6147.6-50.1160.9000118.7
656S30.3Very low28Very low120 Ų120149.1 Ų149.184%0.83980%0.796SS**  -173166.2111.135.70000113.2
657S28.9Very low28Very low105 Ų105147.3 Ų147.373%0.73480%0.796SS**  trans-76.2164.1-179.751.40000112.6
658E31.2Very low28.2Very low169 Ų169147.9 Ų147.979%0.7979%0.794SS**  cis-156.6165.716.5-146.7162.3-154.100114
659N30.3Very low28.2Very low128 Ų128149.7 Ų149.768%0.68480%0.799SS**  trans-26.3130.4175.7-55.4-54.9000119.3
660N31.6Very low28.3Very low138 Ų138154.1 Ų154.174%0.73880%0.8SS**  179.9122.896-96-63.1000116
661N28.8Very low28.3Very low136 Ų136154.2 Ų154.273%0.72780%0.799SS**  trans19.3113.4144.5-55.1-50.3000120.8
662H31.3Very low28.1Very low194 Ų194157.1 Ų157.190%0.89881%0.806SS**  -161.4173.397.5-114.4-92.3000112.3
663K25.8Very low28.3Very low180 Ų180155.2 Ų155.278%0.78380%0.8SS**  trans-143.4118.3-151.4167.6-160.3175.8-175.90113.4
664F26.8Very low28.1Very low207 Ų207156.5 Ų156.591%0.90881%0.807SS**  trans-163.4115.9150.8-89.9-79.6000106.6
665S26.4Very low28.2Very low102 Ų102156.4 Ų156.471%0.71381%0.812SS**  83.292.457.9-172.90000113.5
666Y25.1Very low28Very low241 Ų241154.2 Ų154.295%0.94581%0.809SS**  trans-85.7142.6168.2-123.4-96.3000110.6
667S29.4Very low27.9Very low105 Ų105154.3 Ų154.373%0.73481%0.81SS**  trans-159.3129.1167.559.40000111.6
668D27.4Very low27.9Very low152 Ų152153.7 Ų153.781%0.81381%0.811SS**  trans-57.6146.1168.7-74.3-71.1000112.3
669N29.4Very low27.6Very low162 Ų162152.7 Ų152.787%0.86681%0.811SS**  -167.9151.7123-106.2-64000113.2
670R24.7Very low27.5Very low229 Ų229154.4 Ų154.486%0.86482%0.82SS**  trans-73.4145.7167.3-67.2169.6166.9172-4.9110.4
671I29.7Very low27.2Very low170 Ų170152 Ų15287%0.87282%0.82SS**  trans-163.7149138-103.4149.4000109.4
672K23.1Very low27.3Very low202 Ų202151.3 Ų151.388%0.87883%0.825SS**  trans-91.1143.3173.8-67179.8175.5-176.90110.6
673A29.3Very low27.1Very low93 Ų93149.8 Ų149.877%0.76982%0.82SS**  trans-148.9137.5155.300000110.4
674N23.5Very low27.1Very low161 Ų161149 Ų14986%0.86182%0.819SS**  trans-93.8139.7167.6-63.6-5.7000108.6
675V31Very low27.3Very low147 Ų147146.9 Ų146.989%0.89181%0.812SS**  trans-137.5146.5153.6-1760000107.6
676S24.8Very low27.4Very low98 Ų98150.5 Ų150.569%0.68581%0.812SS**  trans-126.8159.7-172.1580000112.3
677S26.6Very low27.7Very low122 Ų122145.9 Ų145.985%0.85380%0.802SS**  trans68.1154.3174.875.40000115.3
678A30.2Very low27.6Very low92 Ų92146.8 Ų146.876%0.7680%0.798SS**  cis-136.2177.57.500000112.6
679N24.5Very low27.8Very low148 Ų148147.1 Ų147.179%0.79180%0.8SS**  trans-76.3155177.6-47.5-23.2000111.5
680D28Very low27.7Very low164 Ų164142.6 Ų142.688%0.87779%0.792SS**  -168.3179.2105-96.8-19.6000111.2
681A25Very low28Very low88 Ų88139.1 Ų139.173%0.72779%0.789SS**  trans-115.6-173.7-163.300000114.2
682S31.2Very low27.9Very low120 Ų120140.4 Ų140.484%0.83979%0.791SS**  trans75149.9178.986.20000114.3
683M27Very low28Very low162 Ų162139.4 Ų139.480%0.79879%0.788SS**  cis-153.6-176.5-12.3-162.9154.9159.200108.8
684E26.8Very low27.9Very low163 Ų163141.9 Ų141.976%0.76279%0.793SS**  trans-65.8178.1-172.2-64.2130.8118.400117.6
685E29.3Very low28Very low163 Ų163141.3 Ų141.376%0.76279%0.785SS**  trans119.1155.8143.4-139.4-175.3177.900117.7
686Y29.5Very low27.8Very low178 Ų178140.9 Ų140.970%0.69877%0.774SS**  trans8479.9170.9-79.1-87.9000122.3
687I31.9Very low27.8Very low145 Ų145144.1 Ų144.174%0.74478%0.783SS**  92.8132.6120-80.3-171.1000121.5
688D27.6Very low27.7Very low123 Ų123145.2 Ų145.266%0.65878%0.779SS**  trans-99.5146.7173.9168.425.7000110.2
689N31.4Very low27.4Very low159 Ų159149 Ų14985%0.8578%0.781SS**  trans-173.5118.7145.7-102-46.8000113.1
690G27.7Very low27.5Very low68 Ų68151 Ų15170%0.70178%0.783SS**  trans85.483.5137.700000119.5
691I29.6Very low27.4Very low156 Ų156150.7 Ų150.780%0.878%0.781SS**  trans-124.8120.5144.3-63.7-177.9000108.4
692Q28.1Very low27.6Very low196 Ų196154.3 Ų154.392%0.91679%0.788SS**  trans-92.7108.3-173.5-171.3172.43.100110.2
693F25.2Very low27.5Very low182 Ų182153.6 Ų153.680%0.79878%0.783SS**  trans-79.4130.8173.5-93.4-95.1000110.9
694T26.1Very low27.6Very low145 Ų145155 Ų15589%0.8979%0.787SS**  trans-67.1151.3164.244.30000110.6
695Q26.2Very low27.9Very low148 Ų148154 Ų15469%0.69279%0.785SS**  trans-133.1124.5-147.6169.2-171.1-16.700111.8
696E26.2Very low28Very low138 Ų138153.8 Ų153.865%0.64579%0.789SS**  trans-146.4151166.9-102.7140.1-111.800110.8
697N25.4Very low28Very low166 Ų166153.1 Ų153.189%0.88880%0.798SS**SBendtrans61.941-179.6-58.9-77.8000115.6
698L25Very low28Very low145 Ų145152.8 Ų152.876%0.75980%0.798SS**  trans-117.3101.4154.9-113.4170.6000108.8
699H24.4Very low28.3Very low173 Ų173153.2 Ų153.280%0.80180%0.8SS**  trans-140.3101.9173.8-135.2-74.6000108.8
700F25.3Very low28.5Very low190 Ų190151.5 Ų151.583%0.83379%0.791SS**  trans-175117.8132.5-104.2-69.8000107.5
701N26.9Very low28.8Very low157 Ų157154.2 Ų154.284%0.8479%0.789SS**  trans-82.6127.7167.1-73.7-9.5000107.8
702D29Very low29Very low164 Ų164152.9 Ų152.988%0.87778%0.784SS**  trans-72.5126.3159.1-78.6-48.4000108.6
703S28.9Very low29.2Very low104 Ų104149.7 Ų149.773%0.72777%0.773SS**  trans-84.4115.5176.145.60000109.6I705S703-I705 PolarHBondContact O-N 3.38Å
704H29.9Very low29.5Very low191 Ų191147.7 Ų147.788%0.88477%0.771SS**PPolyproline II helixtrans-67.7124.5162.4-97-84000108.8
705I32Very low29.8Very low143 Ų143148 Ų14873%0.73377%0.767SS**PPolyproline II helixtrans-102128.9166.6-67.4177.1000107.3S703S703-I705 PolarHBondContact O-N 3.38Å
706D30.9Very low30Very low158 Ų158148.6 Ų148.685%0.84578%0.775SS**PPolyproline II helixtrans-62.7137.1178.1-72.9-62.8000112.1
707N30.7Very low30.2Very low164 Ų164151.4 Ų151.488%0.87779%0.788SS**  trans-122.9101.9-178.7-170.55.2000109.6
708N31.4Very low30.4Very low138 Ų138151.6 Ų151.674%0.73879%0.788SS**  trans-144.485-174.3-162.52.4000112.4
709N34.5Very low30.4Very low133 Ų133154.8 Ų154.871%0.71179%0.79SS**  trans-165.4103.3143.5-110-67000113.8
710N34.5Very low30.6Very low122 Ų122153 Ų15365%0.65279%0.792SS**  trans54.7132.5130.1-72.5-48.6000123.5
711N34.1Very low30.8Very low125 Ų125151.5 Ų151.567%0.66879%0.789SS**  trans92.591.3144.2-63.7-27.6000121.6
712N33.8Very low30.8Very low128 Ų128151.5 Ų151.568%0.68479%0.789SS**  93.6118.5116.6-63.3-19.6000121.7
713N33.3Very low30.8Very low129 Ų129153.2 Ų153.269%0.6979%0.792SS**  trans82110.5143.4-57.6-14.3000119.8
714N30.6Very low30.8Very low141 Ų141153.6 Ų153.675%0.75480%0.795SS**  trans59.2122.8141.5-46.6-11.3000116.6
715D33.1Very low30.8Very low151 Ų151153.9 Ų153.981%0.80779%0.793SS**  -140.9-172.850.7-90.7-43.2000114.6
716N30Very low30.7Very low161 Ų161153.9 Ų153.986%0.86180%0.795SS**  trans-79.4124.6-166-55.9-86.3000114.5
717E30.5Very low30.6Very low196 Ų196151.3 Ų151.392%0.91678%0.781SS**  trans-138.2143.6159.8-159.8166.8-141.600110.6
718L29.5Very low30.6Very low171 Ų171147.9 Ų147.990%0.89577%0.768SS**  trans-96.3122.2-162.8-173.764.9000112.8
719R24.3Very low30.7Very low211 Ų211147.9 Ų147.980%0.79676%0.763SS**  trans-79.1135.3-177.7-67.6176.6170.4-176-4.4114.6
720T30Very low30.5Very low136 Ų136147.9 Ų147.983%0.83476%0.762SS**  trans-151.189.3143.649.80000106.8
721M29.5Very low30.1Very low159 Ų159145.4 Ų145.478%0.78375%0.754SS**  50.512681.6-68.2-14080.300115.1
722D27Very low29.8Very low157 Ų157140.9 Ų140.984%0.8473%0.733SS**  trans-72.4133-174.5-56.4-94.4000114.4
723Q27.4Very low29.7Very low199 Ų199139.8 Ų139.893%0.9372%0.72SS**  trans-163.189.8160-113.5171.118.700111.5
724S29Very low29.4Very low113 Ų113141 Ų14179%0.7972%0.719SS**  trans-153.956.2162750000112.7
725K30.1Very low29.3Very low196 Ų196141.1 Ų141.185%0.85272%0.72SS**SBendtrans-83.3134.8161-143177.2-172.3-179.20107.1
726N29.8Very low28.9Very low143 Ų143139.8 Ų139.877%0.76571%0.712SS**  trans66.392.3-179.3-55.2-7.3000115.5
727D30.6Very low28.8Very low105 Ų105138.6 Ų138.656%0.56170%0.697SS**  trans-138.1112167.6-163.9-17.5000109.8H729D727-H729 PolarHBondContact O-N 3.2Å; D727-H729 VanDerWaalsContact O-N 3.15Å; D727-H729 IonicContact OD1-CD2 2.78Å
728P29.4Very low28.5Very low91 Ų91137 Ų13759%0.59169%0.689SS**Hα-helixtrans-71.1-10.7-166.227.8-35.8000114.6L730 S731 S732P728-L730 VanDerWaalsContact C-N 3.27Å; P728-L730 PolarHBondContact O-N 2.98Å; P728-S731 PolarHBondContact O-N 3.32Å; P728-S731 PolarHBondContact O-OG 2.82Å; P728-S731 VanDerWaalsContact O-OG 3.06Å; P728-S732 PolarHBondContact O-N 3.38Å
729H33Very low28.4Very low139 Ų139134.8 Ų134.864%0.64468%0.677SS**Hα-helixtrans-70-19.6179.9-78.5-79.6000114.3D727D727-H729 PolarHBondContact O-N 3.2Å; D727-H729 VanDerWaalsContact O-N 3.15Å; D727-H729 IonicContact OD1-CD2 2.78Å
730L30.7Very low28.3Very low132 Ų132133.7 Ų133.769%0.69168%0.681SS**Hα-helixtrans-96.9-22.3176.1-150.172.1000113.1P728P728-L730 VanDerWaalsContact C-N 3.27Å; P728-L730 PolarHBondContact O-N 2.98Å
731S26.6Very low28.2Very low70 Ų70135.7 Ų135.749%0.4968%0.681SS.*Hα-helixtrans-77.6-30.7176610000112.8P728 Y733 K734P728-S731 PolarHBondContact O-N 3.32Å; P728-S731 PolarHBondContact O-OG 2.82Å; P728-S731 VanDerWaalsContact O-OG 3.06Å; S731-Y733 PolarHBondContact O-N 2.91Å; S731-K734 WeakPolarHBondContact O-CB 3.46Å; S731-K734 PolarHBondContact O-N 3.07Å
732S28.1Very low27.9Very low30 Ų30134 Ų13421%0.2168%0.684CS.*THydrogen-bonded Turntrans-71.63.7179.583.70000115.5R467 Q471 P728R467-S732 PolarHBondContact NH1-OG 3.36Å; Q471-S732 PolarHBondContact NE2-O 2.58Å; P728-S732 PolarHBondContact O-N 3.38Å
733Y30.9Very low27.9Very low106 Ų106134 Ų13442%0.41668%0.682SS.*THydrogen-bonded Turntrans-116.211.7167.4-75.3-76.7000112.2R200 S731R200-Y733 PolarHBondContact NH1-O 2.78Å; R200-Y733 PolarHBondContact NH2-O 3.44Å; S731-Y733 PolarHBondContact O-N 2.91Å
734K28Very low27.6Very low155 Ų155128.1 Ų128.167%0.67468%0.676SS**SBendtrans-118.9100.4-175.5-156.8175.5-176.4-175.60109.3S731S731-K734 WeakPolarHBondContact O-CB 3.46Å; S731-K734 PolarHBondContact O-N 3.07Å
735N27.5Very low27.6Very low143 Ų143129.2 Ų129.277%0.76568%0.678SS**SBendtrans76.3174.4177.6-52.9-2.1000116.1
736N26.2Very low27.2Very low123 Ų123128 Ų12866%0.65868%0.675SS**  trans78.755.9168.8-57.50.4000118.7
737Y26.7Very low27.2Very low136 Ų136129.9 Ų129.953%0.53368%0.679SS.*  trans-101.273.7132.8-79.2-75.3000108.9Q474 I739Q474-Y737 HydrophobicContact CG-CE1 4.3Å; Y737-I739 PolarHBondContact O-N 2.85Å
738H24.8Very low26.8Very low161 Ų161129.2 Ų129.275%0.74568%0.682SS**  trans-70.6122.9171.9-99.2-88000109.6
739I26.7Very low26.8Very low125 Ų125135.5 Ų135.564%0.64170%0.696SS**  trans-89.7119.9158.9-64.7176.9000106.3Y254 Y737 Q741Y254-I739 HydrophobicContact CE1-CD1 4.44Å; Y737-I739 PolarHBondContact O-N 2.85Å; I739-Q741 PolarHBondContact O-N 3.01Å; I739-Q741 VanDerWaalsContact O-N 3.12Å
740E23.5Very low26.4Very low189 Ų189135.8 Ų135.888%0.88370%0.702SS**  trans-68.1105.5170-65.5-177.2129.400109.3
741Q26.9Very low26.2Very low178 Ų178136 Ų13683%0.83271%0.713SS**  trans-93.1113159.3-78.9-166.3-30.200108.7I739 I743I739-Q741 PolarHBondContact O-N 3.01Å; I739-Q741 VanDerWaalsContact O-N 3.12Å; Q741-I743 PolarHBondContact O-N 3.35Å; Q741-I743 VanDerWaalsContact O-N 3.1Å
742S22.6Very low26.3Very low123 Ų123138.7 Ų138.786%0.8672%0.722SS**  trans-74.696.1-174.545.40000112.5
743I27.6Very low26.6Very low156 Ų156144.1 Ų144.180%0.874%0.744SS**  trans-127.8108.8159.4-58-179.5000107.4Q741Q741-I743 PolarHBondContact O-N 3.35Å; Q741-I743 VanDerWaalsContact O-N 3.1Å
744G22.2Very low26.6Very low77 Ų77144.3 Ų144.379%0.79476%0.756SS**  trans-85.5134-179.300000112.3
745V27.7Very low26.9Very low136 Ų136143.1 Ų143.182%0.82476%0.757SS**  trans-135.5118162.5-179.10000107.1
746E22.2Very low27.2Very low170 Ų170141 Ų14179%0.79475%0.75SS**  trans-73145.4169.9-60.3173.4105.600110
747H29.6Very low27.5Very low183 Ų183141.4 Ų141.485%0.84775%0.751SS**  -166.8127.7123.2-92.3-10.9000111.8
748S22.6Very low27.9Very low91 Ų91141.9 Ų141.964%0.63676%0.758SS**  trans-71.1157.8165.155.50000111.8
749Y29.1Very low28.4Very low222 Ų222140.2 Ų140.287%0.87176%0.755SS**  -161.2139.6124.8-96.5-62.6000111.6
750N23.7Very low28.8Very low145 Ų145140.4 Ų140.478%0.77576%0.757SS**  trans-81.6153171.5-72.5-13.5000111.2
751C26.5Very low29.2Very low136 Ų136138 Ų13892%0.91975%0.75SS**  trans-131.6147148-85.60000108.4
752N30.2Very low29.5Very low127 Ų127135.7 Ų135.768%0.67974%0.744SS**  trans-140.6140.5-157.9-146.711.9000111.8
753H33Very low29.9Very low145 Ų145136.2 Ų136.267%0.67174%0.737SS**  trans64127.2156.1-74.9-56.8000122.2
754T31Very low30.2Very low109 Ų109135.1 Ų135.167%0.66973%0.733SS**  77.7148.1128.159.50000120.6
755D34.2Very low30.7Very low131 Ų131137.5 Ų137.570%0.70173%0.727SS**  cis-155.5152.52.5-122.8-15.5000116.9
756T33.8Very low31Very low99 Ų99137 Ų13761%0.60772%0.72SS**  trans37.9131.7149.557.50000125.5
757N33.3Very low31.5Very low130 Ų130135.9 Ų135.970%0.69572%0.719SS**  trans69.9153.1131.5-61.6-11.6000120.3
758H35.6Very low31.7Very low147 Ų147134.3 Ų134.368%0.68172%0.717SS**  cis-154.3140.56.6-126.6-30.9000113.1
759N34.1Very low32.1Very low125 Ų125136.7 Ų136.767%0.66872%0.723SS**  trans32.8140.3142.6-68.130.8000125.3
760N34.8Very low32.2Very low129 Ų129133.4 Ų133.469%0.6973%0.726SS**  trans90.598.5138-72.13.9000122.4
761N31.6Very low32.5Very low138 Ų138135.5 Ų135.574%0.73873%0.731SS**  67.8137.4115.1-71.112.4000123.6
762N33Very low32.6Very low131 Ų131135.7 Ų135.770%0.70172%0.718SS**  trans87.7108.8147.7-67.11.7000120.2
763N31.2Very low32.4Very low133 Ų133139 Ų13971%0.71173%0.73SS**  85134.7125.3-67.48.8000120.6
764N33.9Very low32.1Very low133 Ų133136.4 Ų136.471%0.71172%0.724SS**  trans76.1114.8149.9-61.85.5000118.6
765N32.6Very low31.7Very low128 Ų128138.8 Ų138.868%0.68473%0.732SS**  86.2147.6121.2-82.161.2000121.7
766D34.1Very low31.2Very low124 Ų124137 Ų13766%0.66373%0.73SS**  trans66.190.9151.2-47.3-12.4000118.6
767D33.9Very low30.8Very low147 Ų147138.4 Ų138.479%0.78673%0.733SS**  66.2136.7123.1-53.1-15.1000124
768D33Very low30.4Very low151 Ų151137 Ų13781%0.80773%0.733SS**  trans72.3139151.7-69.8-14000124.9
769D31.4Very low30Very low141 Ų141135.9 Ų135.975%0.75473%0.732SS**  trans52.9105.2156.4-73.9-20.1000121.5
770T31.2Very low29.7Very low152 Ų152137.6 Ų137.693%0.93374%0.736SS**  -146.6120129.2-22.80000112.3
771Q30.8Very low29.4Very low189 Ų189141.3 Ų141.388%0.88374%0.742SS**  trans-53.7155.9-163.9-68.2166.6-33.700118.5
772E27.4Very low29.2Very low140 Ų140142.6 Ų142.665%0.65474%0.743SS**  trans-70.9160.7175.7-55169.983.200114.6T774E772-T774 HydrophobicContact CB-CG2 4.33Å; E772-T774 WeakPolarHBondContact CB-OG1 3.32Å; E772-T774 VanDerWaalsContact CD-OG1 3.25Å; E772-T774 WeakPolarHBondContact OE1-CB 3.44Å; E772-T774 WeakPolarHBondContact OE1-CG2 3.46Å; E772-T774 PolarHBondContact OE1-OG1 2.93Å
773H26.5Very low29Very low198 Ų198144.7 Ų144.792%0.91775%0.749SS**  trans-127.868.3146.5-94.3-59.7000110.4L775H773-L775 PolarHBondContact O-N 3.31Å
774T26.1Very low28.9Very low89 Ų89145.3 Ų145.355%0.54675%0.752SS.*  trans-84.496.3174.634.60000110.7E772 S776E772-T774 HydrophobicContact CB-CG2 4.33Å; E772-T774 WeakPolarHBondContact CB-OG1 3.32Å; E772-T774 VanDerWaalsContact CD-OG1 3.25Å; E772-T774 WeakPolarHBondContact OE1-CB 3.44Å; E772-T774 WeakPolarHBondContact OE1-CG2 3.46Å; E772-T774 PolarHBondContact OE1-OG1 2.93Å; T774-S776 PolarHBondContact O-N 3.23Å
775L23.5Very low28.5Very low159 Ų159145.8 Ų145.883%0.83275%0.754SS**  trans-81.568173.1-89.1170.8000112.2H773 L777H773-L775 PolarHBondContact O-N 3.31Å; L775-L777 HydrophobicContact CD2-CD1 4.21Å
776S23.6Very low28.2Very low95 Ų95146.1 Ų146.166%0.66476%0.756SS**  trans-83.6109.815855.80000109.5T774T774-S776 PolarHBondContact O-N 3.23Å
777L25.2Very low27.9Very low128 Ų128147.1 Ų147.167%0.6776%0.761SS**  trans-11171.1170.9-122.885.3000112.1L775 N779L775-L777 HydrophobicContact CD2-CD1 4.21Å; L777-N779 VanDerWaalsContact C-N 3.32Å; L777-N779 PolarHBondContact O-N 2.87Å; L777-N779 VanDerWaalsContact O-N 3.14Å
778S24.8Very low27.8Very low99 Ų99148 Ų14869%0.69276%0.764SS**  trans-74.285.9157.154.60000109.3Q780S778-Q780 PolarHBondContact O-N 3.4Å
779N28.3Very low27.6Very low124 Ų124149 Ų14966%0.66377%0.769SS**  trans-75.993.8171.6-89.80.1000110.2L777 Y781L777-N779 VanDerWaalsContact C-N 3.32Å; L777-N779 PolarHBondContact O-N 2.87Å; L777-N779 VanDerWaalsContact O-N 3.14Å; N779-Y781 PolarHBondContact O-N 2.92Å
780Q25.9Very low27.6Very low162 Ų162145.6 Ų145.676%0.75777%0.767SS**  trans-60.3119.3160.6-64.9173-7800108.8S778S778-Q780 PolarHBondContact O-N 3.4Å
781Y29.1Very low27.5Very low207 Ų207143.6 Ų143.681%0.81276%0.76SS**  trans-105.290.1151.1-103.8-79.6000108N779 H783N779-Y781 PolarHBondContact O-N 2.92Å; Y781-H783 PolarHBondContact O-N 2.89Å; Y781-H783 VanDerWaalsContact O-N 3.15Å
782E26.9Very low27.3Very low164 Ų164142.4 Ų142.477%0.76676%0.759SS**  trans-63.1111.1160.1-72.2-168.6125.500108.2
783H30Very low27.5Very low176 Ų176143.3 Ų143.382%0.81576%0.763SS**  trans-109.8122.2158-121.5-80.2000108.5Y781Y781-H783 PolarHBondContact O-N 2.89Å; Y781-H783 VanDerWaalsContact O-N 3.15Å
784N28.6Very low27.5Very low145 Ų145141.4 Ų141.478%0.77576%0.759SS**  trans-64152.5-165.6-98.5-75.7000113.7N786N784-N786 PolarHBondContact O-N 3.43Å
785L25.9Very low27.6Very low143 Ų143146.3 Ų146.375%0.74977%0.769SS**  trans-55.2123.9170.2-77.668.5000110.5
786N26.8Very low28Very low136 Ų136145.8 Ų145.873%0.72777%0.765SS**  171.5158.2105-83.9-51.3000110.7N784N784-N786 PolarHBondContact O-N 3.43Å
787D27.5Very low28.2Very low144 Ų144147.2 Ų147.277%0.7777%0.765SS**  trans51.9106.9165.5-57.8-29.9000118.8
788I31.7Very low28.5Very low166 Ų166145.5 Ų145.585%0.85176%0.762SS**  175.1135.7111.1-88.7155000110.8G790I788-G790 PolarHBondContact O-N 2.83Å
789N27.9Very low28.9Very low171 Ų171145.6 Ų145.691%0.91475%0.753SS**  trans-67.5123.9168.9-77.1-40.9000111
790G31Very low29.2Very low70 Ų70147 Ų14772%0.72275%0.749SS**  trans-166.9111.3172.900000113I788 N792I788-G790 PolarHBondContact O-N 2.83Å; G790-N792 PolarHBondContact O-N 3.25Å
791S29Very low29.4Very low111 Ų111142.8 Ų142.878%0.77673%0.732SS**  trans-73.5121.1177.453.50000111.7
792N28.2Very low29.7Very low163 Ų163137 Ų13787%0.87272%0.722SS**  trans-141.686.4167.3-91.1-34.8000110G790 L794G790-N792 PolarHBondContact O-N 3.25Å; N792-L794 PolarHBondContact O-N 3.24Å
793H30.8Very low30.3Very low160 Ų160132.8 Ų132.874%0.74171%0.707SS**  trans-73.6114.7166.3-76.5-74000109.2Y795H793-Y795 HydrophobicContact CB-CD2 4.39Å; H793-Y795 HydrophobicContact CB-CE2 3.86Å; H793-Y795 WeakPolarHBondContact O-CD2 3.39Å; H793-Y795 PolarHBondContact O-N 3.35Å
794L27.4Very low30.6Very low157 Ų157132.6 Ų132.682%0.82271%0.712SS**  trans-81.995.1176.4-173.371.1000110N792 I796N792-L794 PolarHBondContact O-N 3.24Å; L794-I796 PolarHBondContact O-N 2.99Å
795Y28.4Very low30.8Very low193 Ų193130.3 Ų130.376%0.75770%0.699SS**  trans-73.1107.6176-67-86.9000111.1H793 L797H793-Y795 HydrophobicContact CB-CD2 4.39Å; H793-Y795 HydrophobicContact CB-CE2 3.86Å; H793-Y795 WeakPolarHBondContact O-CD2 3.39Å; H793-Y795 PolarHBondContact O-N 3.35Å; Y795-L797 PolarHBondContact O-N 2.88Å
796I30.6Very low31.2Very low148 Ų148127.6 Ų127.676%0.75969%0.69SS**  trans-87.1105.2173.2-58.4176.9000108.8L794 P798L794-I796 PolarHBondContact O-N 2.99Å; I796-P798 WeakPolarHBondContact O-CD 3.46Å
797L28.2Very low31.6Very low124 Ų124126.7 Ų126.765%0.64968%0.684SS**  trans-86.3119.3174.8-125.5101.3000110.4Y795 I799Y795-L797 PolarHBondContact O-N 2.88Å; L797-I799 PolarHBondContact O-N 3.36Å
798P32.3Very low32Very low93 Ų93126.1 Ų126.160%0.60468%0.677SS**  trans-7597.9178.129.1-33.7000111.4I796 W800I796-P798 WeakPolarHBondContact O-CD 3.46Å; P798-W800 PolarHBondContact O-N 3.33Å
799I31.9Very low32.5Very low101 Ų101122.3 Ų122.352%0.51866%0.657SS.*  trans-79113.6177.5-61.6173.7000110.1L797 L801 I878L797-I799 PolarHBondContact O-N 3.36Å; I799-L801 HydrophobicContact CG2-CD2 4.37Å; I799-I878 HydrophobicContact CG2-CG1 4.41Å; I799-I878 HydrophobicContact CG2-CG2 3.84Å
800W34.1Very low33Very low152 Ų152117.9 Ų117.958%0.57663%0.633SS**  trans-78.7122172-8178.8000111.8P798P798-W800 PolarHBondContact O-N 3.33Å
801L31.8Very low33.4Very low74 Ų74119.3 Ų119.339%0.38762%0.621SS.*EExtended strand (participates in β ladder)trans-101.2117.3174-63.3171000108.8I799 I876 I878I799-L801 HydrophobicContact CG2-CD2 4.37Å; L801-I876 HydrophobicContact CD2-CG2 3.56Å; L801-I878 HydrophobicContact CD2-CG1 4.05Å
802S35.3Very low33.9Very low86 Ų86118.8 Ų118.860%0.60161%0.609SS**EExtended strand (participates in β ladder)trans-107.2126.7172.752.20000110.5
803T38.4Very low34.5Very low75 Ų75119.7 Ų119.746%0.4660%0.6SS.*  trans-115.3137176.152.10000110.1I805T803-I805 PolarHBondContact O-N 2.9Å
804N36Very low35Very low172 Ų172115.5 Ų115.592%0.9258%0.581SS**SBendtrans-75.330.5-179.9-68.80.5000113.6
805I34.1Very low35.8Very low97 Ų97112.9 Ų112.950%0.49757%0.568SS.*SBendtrans-141.8129.5-176.6-54178.5000107.8T803 L807T803-I805 PolarHBondContact O-N 2.9Å; I805-L807 PolarHBondContact O-N 3.17Å
806P33.5Very low36.4Very low87 Ų87108 Ų10857%0.56556%0.555SS**  trans-68.3125.3172.527.8-32.8000110.6H808 I809P806-H808 PolarHBondContact O-N 2.82Å; P806-H808 VanDerWaalsContact O-N 3.1Å; P806-I809 HydrophobicContact CG-CD1 3.77Å; P806-I809 HydrophobicContact CG-CG1 4.2Å; P806-I809 PolarHBondContact O-N 2.88Å
807L34.9Very low36.8Very low117 Ų117106.1 Ų106.161%0.61355%0.546SS*.THydrogen-bonded Turntrans-56.2-29-171.4-90.2139.8000114.7I805 I809 I810I805-L807 PolarHBondContact O-N 3.17Å; L807-I809 PolarHBondContact O-N 3.19Å; L807-I810 HydrophobicContact CD2-CD1 4.19Å; L807-I810 WeakPolarHBondContact O-CB 3.35Å; L807-I810 PolarHBondContact O-N 3.33Å
808H35.4Very low37.5Very low131 Ų131104.3 Ų104.361%0.60654%0.536SS*.Hα-helixtrans-56-21174.9-167.1-54.5000113.8P806 I810P806-H808 PolarHBondContact O-N 2.82Å; P806-H808 VanDerWaalsContact O-N 3.1Å; H808-I810 VanDerWaalsContact C-N 3.33Å
809I42.9Very low37.8Very low86 Ų86110 Ų11044%0.44155%0.546SS..Hα-helixtrans-78.3-17.5175.4-63-178.4000112.3P806 L807P806-I809 HydrophobicContact CG-CD1 3.77Å; P806-I809 HydrophobicContact CG-CG1 4.2Å; P806-I809 PolarHBondContact O-N 2.88Å; L807-I809 PolarHBondContact O-N 3.19Å
810I39.7Very low38.2Very low78 Ų78111.4 Ų111.440%0.455%0.548SS..Hα-helixtrans-83.7-51.5179.8-58.2177.5000110.4L807 H808 N812 R813 Q814L807-I810 HydrophobicContact CD2-CD1 4.19Å; L807-I810 WeakPolarHBondContact O-CB 3.35Å; L807-I810 PolarHBondContact O-N 3.33Å; H808-I810 VanDerWaalsContact C-N 3.33Å; I810-N812 PolarHBondContact O-N 3.33Å; I810-R813 PolarHBondContact O-N 2.86Å; I810-Q814 PolarHBondContact O-N 2.8Å; I810-Q814 VanDerWaalsContact O-N 3.17Å
811Q37.9Very low38.6Very low101 Ų101108.2 Ų108.247%0.47255%0.549SS..Hα-helixtrans-53-48178.5-112.2166.4-21.400112.6R813 Q814 N815Q811-R813 PolarHBondContact O-N 3.46Å; Q811-Q814 PolarHBondContact O-N 3.25Å; Q811-Q814 VanDerWaalsContact O-N 3.15Å; Q811-N815 PolarHBondContact O-N 3.23Å
812N39.6Very low38.6Very low99 Ų99113.3 Ų113.353%0.52957%0.569SS.*Hα-helixtrans-62.6-26.8177.9-87.1-9.2000113.3I810 D816I810-N812 PolarHBondContact O-N 3.33Å; N812-D816 WeakPolarHBondContact O-CB 3.28Å; N812-D816 PolarHBondContact O-N 3.13Å
813R40.7Very low38.3Very low182 Ų182116.8 Ų116.869%0.68758%0.575SS**Hα-helixtrans-82.1-24.2175.9-79.5-178.8167.8170.1-1.4114I810 Q811 N817I810-R813 PolarHBondContact O-N 2.86Å; Q811-R813 PolarHBondContact O-N 3.46Å; R813-N817 PolarHBondContact O-N 2.94Å; R813-N817 PolarHBondContact O-ND2 3.36Å
814Q42.5Very low37.9Very low73 Ų73120.4 Ų120.434%0.34159%0.59SS.*Hα-helixtrans-78.6-43.8171.3-83173.7-68.200111.6I810 Q811 D816 N817 I818I810-Q814 PolarHBondContact O-N 2.8Å; I810-Q814 VanDerWaalsContact O-N 3.17Å; Q811-Q814 PolarHBondContact O-N 3.25Å; Q811-Q814 VanDerWaalsContact O-N 3.15Å; Q814-D816 PolarHBondContact O-N 3.16Å; Q814-N817 PolarHBondContact O-N 3.38Å; Q814-I818 HydrophobicContact CB-CD1 4.46Å; Q814-I818 WeakPolarHBondContact O-CG1 3.2Å; Q814-I818 PolarHBondContact O-N 3.27Å
815N42.6Very low37.6Very low102 Ų102121.5 Ų121.555%0.54559%0.587SS.*Hα-helixtrans-56.1-40.4173.2-83.8-18000111.9Q811 N817 R819Q811-N815 PolarHBondContact O-N 3.23Å; N815-N817 PolarHBondContact O-N 3.05Å; N815-R819 WeakPolarHBondContact O-CB 3.34Å; N815-R819 PolarHBondContact O-N 3.1Å
816D41.3Very low37.4Very low91 Ų91122.1 Ų122.149%0.48760%0.6SS.*Hα-helixtrans-72.2-12.3178.6-143.642.6000113.8N812 Q814 K820N812-D816 WeakPolarHBondContact O-CB 3.28Å; N812-D816 PolarHBondContact O-N 3.13Å; Q814-D816 PolarHBondContact O-N 3.16Å; D816-K820 VanDerWaalsContact O-CD 3.27Å; D816-K820 WeakPolarHBondContact O-CD 3.33Å; D816-K820 WeakPolarHBondContact O-CE 3.35Å; D816-K820 VanDerWaalsContact O-CG 3.26Å; D816-K820 WeakPolarHBondContact O-CG 3.41Å; D816-K820 PolarHBondContact O-NZ 2.96Å; D816-K820 IonicContact OD1-NZ 2.72Å; D816-K820 IonicContact OD2-NZ 3.69Å; D816-K820 PolarHBondContact OD2-NZ 3.17Å
817N40.6Very low37.3Very low107 Ų107125.3 Ų125.357%0.57261%0.612SS**Hα-helixtrans-98.8-42.4173-77.6-15.5000112.1R813 Q814 N815 R819 K820 S821R813-N817 PolarHBondContact O-N 2.94Å; R813-N817 PolarHBondContact O-ND2 3.36Å; Q814-N817 PolarHBondContact O-N 3.38Å; N815-N817 PolarHBondContact O-N 3.05Å; N817-R819 VanDerWaalsContact C-N 3.29Å; N817-R819 PolarHBondContact O-N 2.88Å; N817-K820 CarbonylContact O-C 3.52Å; N817-K820 WeakPolarHBondContact O-CA 3.31Å; N817-K820 WeakPolarHBondContact O-CB 3.46Å; N817-K820 PolarHBondContact O-N 3.47Å; N817-S821 PolarHBondContact O-N 3.47Å
818I42.1Very low37.2Very low86 Ų86127.7 Ų127.744%0.44163%0.626SS.*Hα-helixtrans-60.9-40.7175.4-65.6165.4000110.1Q814 K820 S821 F822Q814-I818 HydrophobicContact CB-CD1 4.46Å; Q814-I818 WeakPolarHBondContact O-CG1 3.2Å; Q814-I818 PolarHBondContact O-N 3.27Å; I818-K820 PolarHBondContact O-N 3.24Å; I818-S821 PolarHBondContact O-N 2.86Å; I818-S821 PolarHBondContact O-OG 3.33Å; I818-S821 VanDerWaalsContact O-OG 3.04Å; I818-F822 HydrophobicContact CG2-CD2 4.32Å; I818-F822 PolarHBondContact O-N 3.02Å; I818-F822 VanDerWaalsContact O-N 3.12Å
819R38.8Very low37Very low212 Ų212126 Ų12680%0.863%0.629SS**Hα-helixtrans-69.8-8174.5-153.6175.7-163.2179.66.2113.8N815 N817N815-R819 WeakPolarHBondContact O-CB 3.34Å; N815-R819 PolarHBondContact O-N 3.1Å; N817-R819 VanDerWaalsContact C-N 3.29Å; N817-R819 PolarHBondContact O-N 2.88Å
820K40.9Very low36.4Very low131 Ų131131 Ų13157%0.5765%0.647SS**Hα-helixtrans-105.2-19.7173.4-66.8-177.8-170.51040113.4D816 N817 I818D816-K820 VanDerWaalsContact O-CD 3.27Å; D816-K820 WeakPolarHBondContact O-CD 3.33Å; D816-K820 WeakPolarHBondContact O-CE 3.35Å; D816-K820 VanDerWaalsContact O-CG 3.26Å; D816-K820 WeakPolarHBondContact O-CG 3.41Å; D816-K820 PolarHBondContact O-NZ 2.96Å; D816-K820 IonicContact OD1-NZ 2.72Å; D816-K820 IonicContact OD2-NZ 3.69Å; D816-K820 PolarHBondContact OD2-NZ 3.17Å; N817-K820 CarbonylContact O-C 3.52Å; N817-K820 WeakPolarHBondContact O-CA 3.31Å; N817-K820 WeakPolarHBondContact O-CB 3.46Å; N817-K820 PolarHBondContact O-N 3.47Å; I818-K820 PolarHBondContact O-N 3.24Å
821S41.7Very low36.1Very low86 Ų86135.9 Ų135.960%0.60167%0.668SS**Hα-helixtrans-82.2-34.8170.457.30000112.5N817 I818 Q823N817-S821 PolarHBondContact O-N 3.47Å; I818-S821 PolarHBondContact O-N 2.86Å; I818-S821 PolarHBondContact O-OG 3.33Å; I818-S821 VanDerWaalsContact O-OG 3.04Å; S821-Q823 PolarHBondContact O-N 3.45Å; S821-Q823 VanDerWaalsContact O-N 3.11Å
822F32.6Very low35.6Very low180 Ų180138.3 Ų138.379%0.78968%0.684SS**SBendtrans-76.412.6-177.7-102-85.7000116.4I818I818-F822 HydrophobicContact CG2-CD2 4.32Å; I818-F822 PolarHBondContact O-N 3.02Å; I818-F822 VanDerWaalsContact O-N 3.12Å
823Q28.3Very low35.1Very low160 Ų160138.9 Ų138.975%0.74869%0.691SS**SBendtrans-130.687.8169-72.8-162.2-0.600111.9S821S821-Q823 PolarHBondContact O-N 3.45Å; S821-Q823 VanDerWaalsContact O-N 3.11Å
824I30.6Very low34.5Very low150 Ų150137.6 Ų137.677%0.76970%0.698SS**  trans-175131.5148.9-98.4148.3000108.9
825K29.3Very low34Very low195 Ų195139.8 Ų139.885%0.84872%0.721SS**  trans66.3142.8-176.7-59.9163.8-175.7175.10115
826S29.7Very low33.4Very low110 Ų110141.8 Ų141.877%0.76973%0.731SS**  cis-157.3147.2-15.145.10000111.3N828S826-N828 PolarHBondContact O-N 3.37Å
827N30.7Very low32.9Very low154 Ų154143.7 Ų143.782%0.82474%0.741SS**  trans-58.7134.6167.4-59.9-27.2000111
828N32.7Very low32.6Very low168 Ų168145.9 Ų145.990%0.89875%0.747SS**  -164.6160.1126-97.2-22.9000110.4S826S826-N828 PolarHBondContact O-N 3.37Å
829S31.6Very low32.2Very low96 Ų96147.4 Ų147.467%0.67176%0.757SS**  trans-137.5140.1-158.767.70000114.7
830K31.5Very low31.8Very low189 Ų189143.9 Ų143.982%0.82275%0.754SS**  trans71.4145.9156.5-62.1170.6176.3178.10117.8
831Q31.6Very low31.4Very low181 Ų181146.2 Ų146.285%0.84676%0.764SS**  trans70147.7167.6-64172.2-5.400114.9
832L28.9Very low30.7Very low153 Ų153149.1 Ų149.180%0.80177%0.772SS**  cis-140.5172.32.1-155.967.1000111
833T28.6Very low30.6Very low111 Ų111148 Ų14868%0.68177%0.769SS**  trans-85.6154-174.846.50000115.5
834N28.5Very low30.6Very low155 Ų155147.9 Ų147.983%0.82977%0.768SS**  trans58.2114.5149.6-58.36.1000120.4
835S32.1Very low30.6Very low119 Ų119150.5 Ų150.583%0.83278%0.778SS**  -158.9152.1128.5-172.20000110.3
836L28.8Very low30.4Very low144 Ų144144.7 Ų144.775%0.75477%0.773SS**  trans-85.9168.9177.1-77.874.8000112.9
837D31.4Very low30.5Very low131 Ų131147.3 Ų147.370%0.70178%0.778SS**  trans97.6129.7138.9-73.9-34.5000123.3
838H34.8Very low30.4Very low152 Ų152149.4 Ų149.470%0.70478%0.783SS**  trans75.7107.6143-77.7-30.4000122.9
839N33.1Very low30.4Very low118 Ų118150.8 Ų150.863%0.63178%0.784SS**  84.4110.9116-65.5-7.4000121
840N31.7Very low30.3Very low138 Ų138149.7 Ų149.774%0.73879%0.788SS**  83.5125.8124-76.1-40.5000121.8
841K31.1Very low30.4Very low181 Ų181150.1 Ų150.179%0.78779%0.793SS**  trans80.9111.3143.6-74.6-174.5174-173.60120.7
842L27.4Very low30.4Very low147 Ų147149.8 Ų149.877%0.7779%0.791SS**  trans64.8150.4144.8-76.576.2000115.7
843Q30.6Very low30.5Very low157 Ų157144.8 Ų144.873%0.73477%0.768SS**  cis-143.6-174.723.6-159.7151.7-14.800113.5
844E27.9Very low30.7Very low156 Ų156146 Ų14673%0.72978%0.776SS**  trans-74.2131-167-55.6129.7119.400115.1
845E30.6Very low30.9Very low206 Ų206145 Ų14596%0.96376%0.761SS**  trans172.4140.5148.9-99.5168-16400107
846G25.7Very low30.9Very low72 Ų72141.1 Ų141.174%0.74274%0.74SS**  cis165.439.6-4.900000115
847D30.4Very low31.3Very low165 Ų165140.6 Ų140.688%0.88273%0.734SS**  trans-124.4153.1-171.3-81.3-59.3000114.6
848E29.7Very low31.7Very low198 Ų198140.8 Ų140.893%0.92574%0.74SS**  trans-98.9104.8180-62.1179.6138.700111.6
849E33Very low31.7Very low197 Ų197138.1 Ų138.192%0.92173%0.734SS**PPolyproline II helixtrans-89.7120.7166.4-70-164.6137.900110.7
850G29.2Very low31.8Very low73 Ų73136 Ų13675%0.75373%0.725SS**PPolyproline II helixtrans-96.2125-179.900000112.6
851E33.4Very low32.2Very low199 Ų199136.8 Ų136.893%0.9373%0.728SS**PPolyproline II helixtrans-68.4128.3175.9-61.8-176.613700111.5
852E32.3Very low33.1Very low173 Ų173130.8 Ų130.881%0.80871%0.709SS**PPolyproline II helixtrans-91.5136-175.9-169.2170.9-156.300112.1V854E852-V854 PolarHBondContact O-N 2.96Å
853C29.9Very low34.9Very low48 Ų48127 Ų12732%0.32469%0.694SS.*PPolyproline II helixtrans-66.9119.9-173.9-70.40000113.4Y855C853-Y855 HydrophobicContact CB-CD2 4.4Å; C853-Y855 HydrophobicContact CB-CE2 3.7Å; C853-Y855 WeakPolarHBondContact O-CD2 3.42Å; C853-Y855 WeakPolarHBondContact O-CE2 3.41Å; C853-Y855 PolarHBondContact O-N 3.31Å
854V33.3Very low36.6Very low137 Ų137129.3 Ų129.383%0.8370%0.696SS**  trans-78.9115.5169.7-178.20000110E852E852-V854 PolarHBondContact O-N 2.96Å
855Y32.8Very low38.5Very low134 Ų134128.5 Ų128.553%0.52569%0.692SS.*  trans-96.4110.4178.9-67-83.1000111.4C853 T860C853-Y855 HydrophobicContact CB-CD2 4.4Å; C853-Y855 HydrophobicContact CB-CE2 3.7Å; C853-Y855 WeakPolarHBondContact O-CD2 3.42Å; C853-Y855 WeakPolarHBondContact O-CE2 3.41Å; C853-Y855 PolarHBondContact O-N 3.31Å; Y855-T860 HydrophobicContact CD1-CG2 4.01Å
856G32.5Very low39.7Very low38 Ų38122.2 Ų122.239%0.39266%0.663SS.*  trans-90.9156.3167.600000112T858G856-T858 VanDerWaalsContact C-N 3.27Å; G856-T858 PolarHBondContact O-N 3.28Å
857E36.7Very low41.6Very low132 Ų132121.7 Ų121.762%0.61764%0.643SS**SBendtrans-68.6-21-172.7-60.3-168.712000115
858T39Very low43.6Very low135 Ų135117.5 Ų117.583%0.82862%0.62SS**SBendtrans-121.4-11-175.354.70000114.1G856G856-T858 VanDerWaalsContact C-N 3.27Å; G856-T858 PolarHBondContact O-N 3.28Å
859T34.6Very low45.4Very low97 Ų97113.3 Ų113.360%0.59560%0.598SS**  trans-144.3132.5-178.449.80000111.9
860T35.3Very low46.9Very low72 Ų72106.3 Ų106.344%0.44257%0.567SS.*  trans-122114.9172.356.80000109.4Y855Y855-T860 HydrophobicContact CD1-CG2 4.01Å
861I40Very low48.7Very low156 Ų156106.1 Ų106.180%0.855%0.548SS*.  trans-92.1120173.7-56.8175.9000107.2
862C50.3Low50.5Low55 Ų55103.8 Ų103.837%0.37254%0.538SS..  trans-119.1147.3176.7-64.20000110.5
863S65.3Low52.4Low66 Ų66100.8 Ų100.846%0.46252%0.523SS..  trans-65.9154.3171.1810000111.4E865 E866 L867S863-E865 PolarHBondContact O-N 2.95Å; S863-E866 PolarHBondContact O-N 3.26Å; S863-E866 PolarHBondContact OG-N 3.15Å; S863-L867 PolarHBondContact O-N 2.86Å; S863-L867 VanDerWaalsContact O-N 3.11Å
864R66.6Low53.4Low207 Ų207105.5 Ų105.578%0.78155%0.546SS*.Hα-helixtrans-54.7-35.8178.4179.3-179.6175.5-169.9-0.9112.5I868R864-I868 HydrophobicContact CG-CD1 4.25Å; R864-I868 WeakPolarHBondContact O-CD1 3.44Å; R864-I868 VanDerWaalsContact O-CG1 3.31Å; R864-I868 WeakPolarHBondContact O-CG1 3.43Å; R864-I868 PolarHBondContact O-N 3.49Å
865E68.2Low54.1Low138 Ų138107.5 Ų107.565%0.64554%0.538SS*.Hα-helixtrans-79.4-35.7-173.7-60.7-176.2178.900112.2S863 I868 K869S863-E865 PolarHBondContact O-N 2.95Å; E865-I868 PolarHBondContact O-N 3.27Å; E865-K869 WeakPolarHBondContact O-CG 3.47Å; E865-K869 PolarHBondContact O-N 3.29Å
866E55.9Low54.6Low74 Ų74102.5 Ų102.535%0.34652%0.52SS..Hα-helixtrans-68.5-39.1171.7-69.5-137.4115.200112.3S863 I868 K869 L870S863-E866 PolarHBondContact O-N 3.26Å; S863-E866 PolarHBondContact OG-N 3.15Å; E866-I868 VanDerWaalsContact C-N 3.25Å; E866-I868 PolarHBondContact O-N 2.82Å; E866-K869 PolarHBondContact O-N 2.86Å; E866-K869 VanDerWaalsContact O-N 3.14Å; E866-L870 WeakPolarHBondContact O-CB 3.34Å; E866-L870 VanDerWaalsContact O-CG 3.31Å; E866-L870 WeakPolarHBondContact O-CG 3.45Å; E866-L870 PolarHBondContact O-N 2.93Å
867L65.5Low55.2Low62 Ų62110.7 Ų110.733%0.32554%0.539SS..Hα-helixtrans-58.1-41173.3-173.366.8000111.2S863 L870 L871S863-L867 PolarHBondContact O-N 2.86Å; S863-L867 VanDerWaalsContact O-N 3.11Å; L867-L870 PolarHBondContact O-N 3.25Å; L867-L871 HydrophobicContact CG-CD1 4.27Å; L867-L871 WeakPolarHBondContact O-CB 3.33Å; L867-L871 VanDerWaalsContact O-CG 3.27Å; L867-L871 WeakPolarHBondContact O-CG 3.39Å; L867-L871 PolarHBondContact O-N 2.85Å
868I72.3Confident55.4Low76 Ų76107.3 Ų107.339%0.3953%0.525SS..Hα-helixtrans-64.2-45.7174.5-69.1164.8000111.2R864 E865 E866 L870 L871 Q872R864-I868 HydrophobicContact CG-CD1 4.25Å; R864-I868 WeakPolarHBondContact O-CD1 3.44Å; R864-I868 VanDerWaalsContact O-CG1 3.31Å; R864-I868 WeakPolarHBondContact O-CG1 3.43Å; R864-I868 PolarHBondContact O-N 3.49Å; E865-I868 PolarHBondContact O-N 3.27Å; E866-I868 VanDerWaalsContact C-N 3.25Å; E866-I868 PolarHBondContact O-N 2.82Å; I868-L870 PolarHBondContact O-N 2.9Å; I868-L871 PolarHBondContact O-N 2.85Å; I868-Q872 HydrophobicContact CG2-CG 4.47Å; I868-Q872 WeakPolarHBondContact O-CB 3.16Å; I868-Q872 VanDerWaalsContact O-CG 3.31Å; I868-Q872 WeakPolarHBondContact O-CG 3.45Å; I868-Q872 PolarHBondContact O-N 3.21Å
869K68.4Low55.4Low110 Ų110108 Ų10848%0.47852%0.516SS..Hα-helixtrans-59.7-44.2176-71.5168.9-175.6167.60112E865 E866 Q872 Q873E865-K869 WeakPolarHBondContact O-CG 3.47Å; E865-K869 PolarHBondContact O-N 3.29Å; E866-K869 PolarHBondContact O-N 2.86Å; E866-K869 VanDerWaalsContact O-N 3.14Å; K869-Q872 PolarHBondContact O-N 3.45Å; K869-Q873 WeakPolarHBondContact O-CG 3.35Å; K869-Q873 PolarHBondContact O-N 3.09Å
870L63.3Low55.7Low51 Ų51107.1 Ų107.127%0.26751%0.51SS..Hα-helixtrans-68.9-35.5-178.3-70.2167.1000112.8E866 L867 I868 R875 I876E866-L870 WeakPolarHBondContact O-CB 3.34Å; E866-L870 VanDerWaalsContact O-CG 3.31Å; E866-L870 WeakPolarHBondContact O-CG 3.45Å; E866-L870 PolarHBondContact O-N 2.93Å; L867-L870 PolarHBondContact O-N 3.25Å; I868-L870 PolarHBondContact O-N 2.9Å; L870-R875 PolarHBondContact O-N 3.35Å; L870-I876 HydrophobicContact CB-CD1 3.77Å; L870-I876 HydrophobicContact CB-CG1 4.31Å; L870-I876 HydrophobicContact CD1-CD1 4.06Å; L870-I876 HydrophobicContact CG-CD1 4.47Å
871L66.9Low55.7Low69 Ų69109 Ų10936%0.36152%0.516SS..Hα-helixtrans-66.3-47170.3-73.7168.3000111.6L867 I868 Q873 N874 I876 I878L867-L871 HydrophobicContact CG-CD1 4.27Å; L867-L871 WeakPolarHBondContact O-CB 3.33Å; L867-L871 VanDerWaalsContact O-CG 3.27Å; L867-L871 WeakPolarHBondContact O-CG 3.39Å; L867-L871 PolarHBondContact O-N 2.85Å; I868-L871 PolarHBondContact O-N 2.85Å; L871-Q873 PolarHBondContact O-N 2.95Å; L871-N874 PolarHBondContact O-N 2.7Å; L871-I876 HydrophobicContact CD2-CB 4.44Å; L871-I876 HydrophobicContact CD2-CG2 4.16Å; L871-I878 HydrophobicContact CD1-CD1 4.19Å; L871-I878 HydrophobicContact CD2-CD1 3.9Å; L871-I878 HydrophobicContact CD2-CG1 4.14Å
872Q72.1Confident55.6Low150 Ų150110.6 Ų110.670%0.70152%0.517SS*.Hα-helixtrans-60.6-30.7176.9-75.3176.6-8.700113I868 K869 N874I868-Q872 HydrophobicContact CG2-CG 4.47Å; I868-Q872 WeakPolarHBondContact O-CB 3.16Å; I868-Q872 VanDerWaalsContact O-CG 3.31Å; I868-Q872 WeakPolarHBondContact O-CG 3.45Å; I868-Q872 PolarHBondContact O-N 3.21Å; K869-Q872 PolarHBondContact O-N 3.45Å; Q872-N874 VanDerWaalsContact C-N 3.28Å; Q872-N874 PolarHBondContact O-N 3.28Å
873Q71.2Confident55Low109 Ų109112.9 Ų112.951%0.50953%0.53SS..THydrogen-bonded Turntrans-80.63.2175.5-70.4-177.519.200114.5K869 L871 R875K869-Q873 WeakPolarHBondContact O-CG 3.35Å; K869-Q873 PolarHBondContact O-N 3.09Å; L871-Q873 PolarHBondContact O-N 2.95Å; Q873-R875 HydrophobicContact CB-CG 4Å; Q873-R875 PolarHBondContact O-N 2.77Å; Q873-R875 VanDerWaalsContact O-N 3.09Å
874N52Low54Low148 Ų148118.5 Ų118.579%0.79156%0.555SS**THydrogen-bonded Turntrans5520.7-173.9-79.6-49.6000114.5L871 Q872 I876L871-N874 PolarHBondContact O-N 2.7Å; Q872-N874 VanDerWaalsContact C-N 3.28Å; Q872-N874 PolarHBondContact O-N 3.28Å; N874-I876 VanDerWaalsContact C-N 3.34Å
875R47.6Very low52.3Low179 Ų179119.6 Ų119.668%0.67557%0.568SS**  trans-81.7-15.7-178.8-71.2-175.5176.6-164.21.6113.4L870 Q873L870-R875 PolarHBondContact O-N 3.35Å; Q873-R875 HydrophobicContact CB-CG 4Å; Q873-R875 PolarHBondContact O-N 2.77Å; Q873-R875 VanDerWaalsContact O-N 3.09Å
876I43.6Very low51.5Low29 Ų29118.7 Ų118.715%0.14957%0.565CS.*  trans-124.3139179-70.1-179.4000109.2L801 L870 L871 N874 I878L801-I876 HydrophobicContact CD2-CG2 3.56Å; L870-I876 HydrophobicContact CB-CD1 3.77Å; L870-I876 HydrophobicContact CB-CG1 4.31Å; L870-I876 HydrophobicContact CD1-CD1 4.06Å; L870-I876 HydrophobicContact CG-CD1 4.47Å; L871-I876 HydrophobicContact CD2-CB 4.44Å; L871-I876 HydrophobicContact CD2-CG2 4.16Å; N874-I876 VanDerWaalsContact C-N 3.34Å; I876-I878 HydrophobicContact CG2-CG1 3.95Å
877R43.6Very low51.2Low210 Ų210121 Ų12179%0.79258%0.576SS**EExtended strand (participates in β ladder)trans-114.7112.2161.6-71-174.5178.3-174.7-0.1109.1
878I42.8Very low50.4Low60 Ų60124.3 Ų124.331%0.30859%0.59SS.*EExtended strand (participates in β ladder)trans-80.5127.2169-62.8176.2000107.9I799 L801 L871 I876 V880I799-I878 HydrophobicContact CG2-CG1 4.41Å; I799-I878 HydrophobicContact CG2-CG2 3.84Å; L801-I878 HydrophobicContact CD2-CG1 4.05Å; L871-I878 HydrophobicContact CD1-CD1 4.19Å; L871-I878 HydrophobicContact CD2-CD1 3.9Å; L871-I878 HydrophobicContact CD2-CG1 4.14Å; I876-I878 HydrophobicContact CG2-CG1 3.95Å; I878-V880 HydrophobicContact CG2-CG2 3.82Å
879K38.5Very low49.1Very low149 Ų149127.1 Ų127.165%0.64860%0.602SS**  trans-112.791.6170.7-167.8-170.1179.8-1600108.8M881K879-M881 PolarHBondContact O-N 2.71Å
880V40.1Very low47.9Very low79 Ų79128.2 Ų128.248%0.47961%0.61SS.*  trans-69.7128172.9-174.10000108.6I878 F882I878-V880 HydrophobicContact CG2-CG2 3.82Å; V880-F882 HydrophobicContact CB-CE2 4.43Å; V880-F882 HydrophobicContact CG1-CD2 4.25Å; V880-F882 HydrophobicContact CG1-CE1 4.35Å; V880-F882 HydrophobicContact CG1-CE2 3.91Å; V880-F882 HydrophobicContact CG1-CZ 3.97Å
881M34.8Very low46.9Very low112 Ų112133.3 Ų133.355%0.55263%0.632SS**  trans-105.4123.7164.1-66.7-174.369.900107.4E517 K879E517-M881 HydrophobicContact CG-CE 4.26Å; K879-M881 PolarHBondContact O-N 2.71Å
882F39.3Very low45.5Very low189 Ų189137.9 Ų137.983%0.82965%0.652SS**  trans-86.7134.3170.3-65.7-87.1000108.6V880V880-F882 HydrophobicContact CB-CE2 4.43Å; V880-F882 HydrophobicContact CG1-CD2 4.25Å; V880-F882 HydrophobicContact CG1-CE1 4.35Å; V880-F882 HydrophobicContact CG1-CE2 3.91Å; V880-F882 HydrophobicContact CG1-CZ 3.97Å
883T37.3Very low43.4Very low104 Ų104137 Ų13764%0.63865%0.648SS**  trans-80.216715930.30000109.7Q885T883-Q885 WeakPolarHBondContact CB-OXT 3.45Å; T883-Q885 PolarHBondContact O-N 3.15Å; T883-Q885 PolarHBondContact OG1-OXT 2.87Å
884D43.9Very low41.1Very low184 Ų184139.3 Ų139.398%0.98466%0.66SS**  trans-75.511.4166.9-64.4-46.5000112.4
885Q30.2Very low40.1Very low229 Ų229138.5 Ų138.5100%1.0765%0.648SS**  trans-122.80168-67-176.5-16.700107.7T883T883-Q885 WeakPolarHBondContact CB-OXT 3.45Å; T883-Q885 PolarHBondContact O-N 3.15Å; T883-Q885 PolarHBondContact OG1-OXT 2.87Å

Retrieved 885 of 885 residues in 1111.2 ms (Link to these results)

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