A0A060XYG0_ONCMY Loading...

ATP-binding cassette sub-family E member 1

AlphaFold DB (B5X0Q5), UniProt , Accession A0A060XYG0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ABCE1, Length 599 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
1M39.8Very low66.5Low244 Ų24481.1 Ų81.1100%1.20241%0.408SS*.  0119.70-76.8173.5170.400106.8E3M1-E3 PolarHBondContact O-N 3.19Å
2S45Very low67.7Low120 Ų12079.4 Ų79.484%0.83940%0.401SS*.  trans-62.7128.9175.636.40000109.3K4S2-K4 PolarHBondContact O-N 3.45Å
3E51.1Low68.6Low136 Ų13681.8 Ų81.864%0.63641%0.41SS*.  trans-53.6129174-73.7-176.2161.900109.4M1 N5M1-E3 PolarHBondContact O-N 3.19Å; E3-N5 VanDerWaalsContact C-N 3.33Å; E3-N5 PolarHBondContact O-N 3.28Å
4K58Low69.2Low188 Ų18885.7 Ų85.782%0.81743%0.432SS*.  trans-74.688.8-177.8-168.3179.5-177.8-176.30108.2S2 T6 S77S2-K4 PolarHBondContact O-N 3.45Å; K4-T6 PolarHBondContact O-N 2.75Å; K4-T6 VanDerWaalsContact O-N 3.11Å; K4-S77 VanDerWaalsContact O-CB 3.26Å; K4-S77 WeakPolarHBondContact O-CB 3.22Å
5N60.3Low70Confident85 Ų8584.2 Ų84.246%0.45542%0.422SS..  trans-57.5117.1177.9-70.7-17.1000110.6E3E3-N5 VanDerWaalsContact C-N 3.33Å; E3-N5 PolarHBondContact O-N 3.28Å
6T66.8Low70.9Confident22 Ų2279.7 Ų79.714%0.13540%0.4CS..EExtended strand (participates in β ladder)trans-76.3147.2173.337.20000109.9K4 L75 P76 S77 E80K4-T6 PolarHBondContact O-N 2.75Å; K4-T6 VanDerWaalsContact O-N 3.11Å; T6-L75 PolarHBondContact N-O 3.3Å; T6-L75 PolarHBondContact O-N 2.99Å; T6-L75 PolarHBondContact OG1-O 2.99Å; T6-P76 PolarHBondContact OG1-O 3.43Å; T6-S77 WeakPolarHBondContact OG1-CA 3.42Å; T6-E80 HydrophobicContact CG2-CB 3.97Å; T6-E80 VanDerWaalsContact CG2-CD 3.44Å; T6-E80 HydrophobicContact CG2-CG 4.29Å; T6-E80 WeakPolarHBondContact CG2-OE2 3.46Å
7R79.5Confident71.9Confident76 Ų7681.2 Ų81.229%0.28740%0.404SS..EExtended strand (participates in β ladder)trans-126.5135.7-172.2-59.9177.2-178.5113.42.9109.3E52 C55 I56 V73R7-E52 WeakPolarHBondContact O-CB 2.98Å; R7-C55 WeakPolarHBondContact CD-O 3.35Å; R7-C55 PolarHBondContact NH1-O 3.23Å; R7-I56 PolarHBondContact NE-O 3.41Å; R7-I56 VanDerWaalsContact NH1-CA 3.27Å; R7-I56 PolarHBondContact NH2-O 2.69Å; R7-V73 WeakPolarHBondContact CA-O 3.11Å
8I78.2Confident72.7Confident1 Ų176.9 Ų76.91%0.00538%0.383CS..EExtended strand (participates in β ladder)trans-102.6124166.5-60.8-175.7000107.9I10 I72 V73 L75 K93 Y296I8-I10 HydrophobicContact CB-CD1 4.16Å; I8-I10 HydrophobicContact CG2-CD1 3.38Å; I8-I10 HydrophobicContact CG2-CG1 3.59Å; I8-I72 WeakPolarHBondContact O-CA 3.41Å; I8-V73 PolarHBondContact N-O 3.49Å; I8-V73 PolarHBondContact O-N 3.41Å; I8-L75 HydrophobicContact CD1-CD1 3.24Å; I8-L75 HydrophobicContact CD1-CG 4.12Å; I8-L75 HydrophobicContact CG1-CD1 3.49Å; I8-L75 VanDerWaalsContact CG1-CD1 3.49Å; I8-L75 HydrophobicContact CG1-CG 4.15Å; I8-K93 HydrophobicContact CD1-CB 4.26Å; I8-K93 HydrophobicContact CD1-CD 3.63Å; I8-K93 HydrophobicContact CD1-CG 4.1Å; I8-K93 HydrophobicContact CG1-CD 4.27Å; I8-Y296 HydrophobicContact CD1-CG 4.4Å
9A83.6Confident73.3Confident1 Ų181.7 Ų81.71%0.00840%0.401CS..EExtended strand (participates in β ladder)trans-97.3119163.300000107.9I50 E52 S71 N90A9-I50 HydrophobicContact CB-CB 3.71Å; A9-I50 HydrophobicContact CB-CD1 4.11Å; A9-I50 HydrophobicContact CB-CG2 3.5Å; A9-I50 VanDerWaalsContact CB-CG2 3.5Å; A9-E52 HydrophobicContact CB-CG 4.46Å; A9-S71 WeakPolarHBondContact CA-O 3.22Å; A9-N90 VanDerWaalsContact O-CA 3.25Å; A9-N90 WeakPolarHBondContact O-CA 3.42Å; A9-N90 VanDerWaalsContact O-CB 3.27Å; A9-N90 WeakPolarHBondContact O-CB 3.25Å; A9-N90 PolarHBondContact O-ND2 3.48Å
10I83.9Confident73.9Confident15 Ų1585.4 Ų85.48%0.07742%0.415CS..EExtended strand (participates in β ladder)trans-106.2137.9173.1-61.7109.5000109.4I8 S71 V73 N90 A295I8-I10 HydrophobicContact CB-CD1 4.16Å; I8-I10 HydrophobicContact CG2-CD1 3.38Å; I8-I10 HydrophobicContact CG2-CG1 3.59Å; I10-S71 PolarHBondContact N-O 3.3Å; I10-S71 PolarHBondContact O-N 3.13Å; I10-V73 HydrophobicContact CD1-CG2 4.14Å; I10-N90 VanDerWaalsContact CA-O 3.31Å; I10-N90 WeakPolarHBondContact CA-O 3.24Å; I10-A295 HydrophobicContact CD1-CB 3.23Å; I10-A295 HydrophobicContact CG1-CB 3.97Å
11V85.1Confident74.4Confident4 Ų482 Ų822%0.02440%0.399CS..EExtended strand (participates in β ladder)trans-118.9118.2173.8-174.40000108.7H13 C16 I47 I50 L70 N90V11-H13 PolarHBondContact O-N 3.4Å; V11-C16 HydrophobicContact CG1-CB 3.87Å; V11-I47 HydrophobicContact CB-CD1 4.35Å; V11-I47 HydrophobicContact CB-CG1 4.44Å; V11-I47 HydrophobicContact CG1-CD1 3.81Å; V11-I47 HydrophobicContact CG1-CG1 3.62Å; V11-I50 HydrophobicContact CG2-CD1 4.03Å; V11-I50 HydrophobicContact CG2-CG1 4.41Å; V11-L70 HydrophobicContact CB-CD2 4.29Å; V11-L70 HydrophobicContact CG1-CD2 3.94Å; V11-L70 HydrophobicContact CG2-CD2 3.68Å; V11-N90 HydrophobicContact CB-CB 4.23Å; V11-N90 HydrophobicContact CG2-CB 3.85Å; V11-N90 PolarHBondContact N-O 2.97Å
12N81.2Confident76.6Confident61 Ų6179.4 Ų79.433%0.32638%0.376SS..  trans-75.9116.6174.4-177.6-50.2000109.4D14 K15 C16 A69N12-D14 VanDerWaalsContact C-N 3.31Å; N12-D14 PolarHBondContact O-N 3.21Å; N12-D14 PolarHBondContact OD1-N 2.86Å; N12-K15 HydrophobicContact CB-CB 4.34Å; N12-K15 PolarHBondContact O-N 2.86Å; N12-K15 PolarHBondContact OD1-N 3.08Å; N12-C16 WeakPolarHBondContact O-CB 3.34Å; N12-C16 PolarHBondContact O-N 3.14Å; N12-A69 PolarHBondContact N-O 3.04Å
13H79.7Confident78.7Confident111 Ų11175.7 Ų75.751%0.51435%0.346SS..THydrogen-bonded Turntrans-61.9-35.5-176.2-70.6-97.9000113.2V11 I47V11-H13 PolarHBondContact O-N 3.4Å; H13-I47 HydrophobicContact CB-CD1 4.13Å; H13-I47 WeakPolarHBondContact CE1-CD1 3.44Å; H13-I47 VanDerWaalsContact CG-CD1 3.46Å; H13-I47 WeakPolarHBondContact ND1-CD1 3.48Å
14D76.2Confident80.6Confident136 Ų13672.9 Ų72.973%0.72733%0.333SS*.THydrogen-bonded Turntrans-76.5-35.3-174.9-56.5-40000112N12N12-D14 VanDerWaalsContact C-N 3.31Å; N12-D14 PolarHBondContact O-N 3.21Å; N12-D14 PolarHBondContact OD1-N 2.86Å
15K81.7Confident82.1Confident63 Ų6364.2 Ų64.227%0.27430%0.296SS..THydrogen-bonded Turntrans-83.4-29.1179.4-64.8-175.4178.4-1740112.4N12 K17 F67 A69 S453N12-K15 HydrophobicContact CB-CB 4.34Å; N12-K15 PolarHBondContact O-N 2.86Å; N12-K15 PolarHBondContact OD1-N 3.08Å; K15-K17 PolarHBondContact O-N 3.45Å; K15-F67 VanDerWaalsContact O-CB 3.26Å; K15-F67 WeakPolarHBondContact O-CB 3.48Å; K15-A69 HydrophobicContact CB-CB 3.67Å; K15-S453 PolarHBondContact NZ-O 2.84Å
16C85.2Confident83.5Confident12 Ų1263.7 Ų63.78%0.08129%0.289CS..  trans-74.6109-173.8-169.10000111.9V11 N12 P18 I47 A69V11-C16 HydrophobicContact CG1-CB 3.87Å; N12-C16 WeakPolarHBondContact O-CB 3.34Å; N12-C16 PolarHBondContact O-N 3.14Å; C16-P18 WeakPolarHBondContact O-CD 3.43Å; C16-I47 HydrophobicContact CB-CG1 4.19Å; C16-A69 HydrophobicContact CB-CB 3.88Å
17K86.4Confident84.6Confident105 Ų10568.5 Ų68.546%0.45731%0.308SS..  trans-123.679.9178-64.3177.9-175.9172.10111.7K15 K19 K20 C21 F67K15-K17 PolarHBondContact O-N 3.45Å; K17-K19 PolarHBondContact O-N 3.23Å; K17-K19 VanDerWaalsContact O-N 3.15Å; K17-K20 HydrophobicContact CB-CB 4.37Å; K17-K20 PolarHBondContact O-N 2.86Å; K17-C21 PolarHBondContact O-N 2.96Å; K17-C21 VanDerWaalsContact O-N 3.14Å; K17-F67 HydrophobicContact CB-CD2 4.25Å; K17-F67 HydrophobicContact CB-CE2 3.93Å; K17-F67 HydrophobicContact CB-CZ 4.4Å
18P86.4Confident85.1Confident4 Ų466.1 Ų66.13%0.02630%0.303CS..THydrogen-bonded Turntrans-54.2-34-176.6-30.438.2000115.3C16 K20 C21 V41 S45 K46 V48C16-P18 WeakPolarHBondContact O-CD 3.43Å; P18-K20 VanDerWaalsContact C-N 3.33Å; P18-K20 PolarHBondContact O-N 2.8Å; P18-C21 VanDerWaalsContact CA-SG 3.56Å; P18-V41 HydrophobicContact CB-CG2 3.7Å; P18-V41 HydrophobicContact CG-CG2 3.95Å; P18-S45 WeakPolarHBondContact CG-O 3.31Å; P18-K46 WeakPolarHBondContact CD-O 3.47Å; P18-V48 HydrophobicContact CG-CG2 4.36Å
19K85.6Confident85.7Confident168 Ų16866.4 Ų66.473%0.7331%0.305SS*.THydrogen-bonded Turntrans-62.3-36.5176.1-72.8-178.5179.8-174.60113.1K17 A43K17-K19 PolarHBondContact O-N 3.23Å; K17-K19 VanDerWaalsContact O-N 3.15Å; K19-A43 WeakPolarHBondContact CG-O 3.31Å
20K84.3Confident86.1Confident156 Ų15668.1 Ų68.168%0.67832%0.316SS*.THydrogen-bonded Turntrans-96.5-19.8-173.8-63.3-171.1178.8-172.10113.3K17 P18 F67K17-K20 HydrophobicContact CB-CB 4.37Å; K17-K20 PolarHBondContact O-N 2.86Å; P18-K20 VanDerWaalsContact C-N 3.33Å; P18-K20 PolarHBondContact O-N 2.8Å; K20-F67 HydrophobicContact CB-CE2 3.98Å; K20-F67 HydrophobicContact CB-CZ 3.74Å
21C84.5Confident86.4Confident13 Ų1367.8 Ų67.89%0.08832%0.315CS..THydrogen-bonded Turntrans-93.93.3-175.771.40000115.3K17 P18 Q23 E24 P66 F67K17-C21 PolarHBondContact O-N 2.96Å; K17-C21 VanDerWaalsContact O-N 3.14Å; P18-C21 VanDerWaalsContact CA-SG 3.56Å; C21-Q23 PolarHBondContact O-N 2.78Å; C21-Q23 PolarHBondContact SG-N 3.2Å; C21-E24 WeakPolarHBondContact O-CG 3.48Å; C21-E24 PolarHBondContact O-N 2.76Å; C21-P66 HydrophobicContact CB-CG 3.59Å; C21-F67 HydrophobicContact CB-CD2 3.97Å; C21-F67 HydrophobicContact CB-CE2 3.72Å
22R86.5Confident86.7Confident191 Ų19169.1 Ų69.172%0.72132%0.323SS*.THydrogen-bonded Turntrans51.821.1-175.9-58.6-179.9177-177.7-1.1114.6E24 K27R22-E24 VanDerWaalsContact C-N 3.33Å; R22-E24 PolarHBondContact O-N 2.95Å; R22-K27 WeakPolarHBondContact O-CE 3.33Å; R22-K27 PolarHBondContact O-NZ 2.8Å
23Q89.1Confident87.1Confident41 Ų4175.2 Ų75.219%0.19234%0.341CS..THydrogen-bonded Turntrans52.642.2-177.1-56.1125.537.200114.2C21 C25 K26 K27 V41 A43C21-Q23 PolarHBondContact O-N 2.78Å; C21-Q23 PolarHBondContact SG-N 3.2Å; Q23-C25 PolarHBondContact O-N 3.19Å; Q23-K26 HydrophobicContact CB-CB 4.46Å; Q23-K26 PolarHBondContact O-N 2.89Å; Q23-K27 PolarHBondContact O-N 2.82Å; Q23-V41 HydrophobicContact CB-CG1 3.84Å; Q23-V41 HydrophobicContact CG-CB 4.44Å; Q23-V41 HydrophobicContact CG-CG1 3.8Å; Q23-V41 HydrophobicContact CG-CG2 3.9Å; Q23-A43 VanDerWaalsContact NE2-N 3.11Å
24E89.6Confident87.5Confident78 Ų7877.2 Ų77.236%0.36435%0.353SS..Hα-helixtrans-55.3-35.4179.6-76.1-176.3-176.300113.3C21 R22 K26 K27 S28C21-E24 WeakPolarHBondContact O-CG 3.48Å; C21-E24 PolarHBondContact O-N 2.76Å; R22-E24 VanDerWaalsContact C-N 3.33Å; R22-E24 PolarHBondContact O-N 2.95Å; E24-K26 VanDerWaalsContact C-N 3.3Å; E24-K26 PolarHBondContact O-N 2.81Å; E24-K27 PolarHBondContact O-N 3.36Å; E24-S28 WeakPolarHBondContact O-CB 3.44Å; E24-S28 PolarHBondContact O-N 3.22Å; E24-S28 PolarHBondContact O-OG 3.5Å
25C89.8Confident88Confident6 Ų674 Ų744%0.04135%0.351CS..Hα-helixtrans-54.1-43.7175.454.80000112.9Q23 C29 I39 C61 L70Q23-C25 PolarHBondContact O-N 3.19Å; C25-C29 WeakPolarHBondContact O-CB 3.44Å; C25-C29 PolarHBondContact O-N 3.4Å; C25-I39 HydrophobicContact CB-CD1 4.44Å; C25-I39 WeakPolarHBondContact O-CD1 3.29Å; C25-C61 HydrophobicContact CB-CB 4.1Å; C25-L70 HydrophobicContact CB-CD1 3.52Å
26K90.7Very high88.4Confident73 Ų7376.7 Ų76.732%0.31736%0.363SS..Hα-helixtrans-70.2-44.5177.6-173.8178.5-176.7-178.60111.6Q23 E24 S28 C29 V32 I39 V41Q23-K26 HydrophobicContact CB-CB 4.46Å; Q23-K26 PolarHBondContact O-N 2.89Å; E24-K26 VanDerWaalsContact C-N 3.3Å; E24-K26 PolarHBondContact O-N 2.81Å; K26-S28 PolarHBondContact O-N 3.01Å; K26-C29 PolarHBondContact O-N 2.76Å; K26-V32 HydrophobicContact CG-CG1 3.98Å; K26-I39 HydrophobicContact CB-CG2 4.26Å; K26-V41 HydrophobicContact CB-CG1 3.77Å; K26-V41 HydrophobicContact CD-CG1 4.02Å; K26-V41 HydrophobicContact CG-CG1 4.44Å
27K89.4Confident88.6Confident124 Ų12481.5 Ų81.554%0.53939%0.388SS..Hα-helixtrans-68-33.8-177.3-68.3175.6177165.70113.5R22 Q23 E24 R33R22-K27 WeakPolarHBondContact O-CE 3.33Å; R22-K27 PolarHBondContact O-NZ 2.8Å; Q23-K27 PolarHBondContact O-N 2.82Å; E24-K27 PolarHBondContact O-N 3.36Å; K27-R33 PolarHBondContact O-NE 2.83Å; K27-R33 PolarHBondContact O-NH2 2.84Å
28S90.4Very high88.7Confident26 Ų2676.6 Ų76.618%0.18237%0.366CS..Hα-helixtrans-90.7-8.8-178.5-60.80000113.5E24 K26 P30E24-S28 WeakPolarHBondContact O-CB 3.44Å; E24-S28 PolarHBondContact O-N 3.22Å; E24-S28 PolarHBondContact O-OG 3.5Å; K26-S28 PolarHBondContact O-N 3.01Å; S28-P30 WeakPolarHBondContact O-CD 3.36Å
29C90.4Very high88.9Confident7 Ų776.5 Ų76.55%0.04737%0.366CS..  trans-75120.8-179-174.90000110.9C25 K26 V31 V32 R33 I39C25-C29 WeakPolarHBondContact O-CB 3.44Å; C25-C29 PolarHBondContact O-N 3.4Å; K26-C29 PolarHBondContact O-N 2.76Å; C29-V31 VanDerWaalsContact C-N 3.28Å; C29-V31 PolarHBondContact O-N 2.71Å; C29-V32 HydrophobicContact CB-CB 4.13Å; C29-V32 HydrophobicContact CB-CG2 3.87Å; C29-V32 PolarHBondContact O-N 3.19Å; C29-R33 PolarHBondContact O-N 3.47Å; C29-R33 VanDerWaalsContact O-N 3.1Å; C29-I39 HydrophobicContact CB-CD1 3.78Å; C29-I39 HydrophobicContact CB-CG1 4.35Å
30P91.6Very high89.1Confident36 Ų3672.6 Ų72.623%0.23435%0.35CS..Hα-helixtrans-63.5-35.6-178.725-33.7000112S28 V32 R33 M34 I56 I60S28-P30 WeakPolarHBondContact O-CD 3.36Å; P30-V32 VanDerWaalsContact C-N 3.31Å; P30-V32 PolarHBondContact O-N 2.95Å; P30-R33 WeakPolarHBondContact O-CB 3.32Å; P30-R33 PolarHBondContact O-N 2.99Å; P30-R33 VanDerWaalsContact O-N 3.15Å; P30-M34 WeakPolarHBondContact O-CG 3.44Å; P30-M34 PolarHBondContact O-N 3.46Å; P30-I56 HydrophobicContact CG-CD1 3.88Å; P30-I60 HydrophobicContact CG-CD1 4.27Å
31V90.7Very high89.3Confident8 Ų865.4 Ų65.45%0.04832%0.319CS..Hα-helixtrans-65-37.3179.8-1760000111.6C29 M34 K36 C38 L54 I56C29-V31 VanDerWaalsContact C-N 3.28Å; C29-V31 PolarHBondContact O-N 2.71Å; V31-M34 PolarHBondContact O-N 3.42Å; V31-K36 HydrophobicContact CG1-CB 3.74Å; V31-K36 HydrophobicContact CG1-CD 4.28Å; V31-K36 PolarHBondContact O-N 3.22Å; V31-K36 VanDerWaalsContact O-N 3.15Å; V31-C38 HydrophobicContact CB-CB 3.71Å; V31-C38 HydrophobicContact CG1-CB 3.47Å; V31-C38 VanDerWaalsContact CG1-CB 3.47Å; V31-L54 HydrophobicContact CG1-CB 4.49Å; V31-I56 HydrophobicContact CG2-CB 4.28Å; V31-I56 HydrophobicContact CG2-CD1 4.06Å; V31-I56 HydrophobicContact CG2-CG1 3.77Å; V31-I56 HydrophobicContact CG2-CG2 3.76Å
32V90.7Very high89.3Confident32 Ų3268.1 Ų68.119%0.19434%0.335CS..Hα-helixtrans-70.3-37.9174.6179.30000111.2K26 C29 P30 M34 G35 K36 C38 I39K26-V32 HydrophobicContact CG-CG1 3.98Å; C29-V32 HydrophobicContact CB-CB 4.13Å; C29-V32 HydrophobicContact CB-CG2 3.87Å; C29-V32 PolarHBondContact O-N 3.19Å; P30-V32 VanDerWaalsContact C-N 3.31Å; P30-V32 PolarHBondContact O-N 2.95Å; V32-M34 PolarHBondContact O-N 3.34Å; V32-G35 PolarHBondContact O-N 3.32Å; V32-K36 WeakPolarHBondContact CA-O 3.37Å; V32-C38 HydrophobicContact CG2-CB 4.13Å; V32-I39 HydrophobicContact CG2-CB 4.11Å; V32-I39 HydrophobicContact CG2-CG1 4.43Å
33R89.4Confident89Confident189 Ų18961.5 Ų61.571%0.71332%0.321SS*.Hα-helixtrans-64-28.8173.9-69.5-179.7-179.7-165.2-3.5113.1K27 C29 P30 G35K27-R33 PolarHBondContact O-NE 2.83Å; K27-R33 PolarHBondContact O-NH2 2.84Å; C29-R33 PolarHBondContact O-N 3.47Å; C29-R33 VanDerWaalsContact O-N 3.1Å; P30-R33 WeakPolarHBondContact O-CB 3.32Å; P30-R33 PolarHBondContact O-N 2.99Å; P30-R33 VanDerWaalsContact O-N 3.15Å; R33-G35 PolarHBondContact O-N 3.35Å
34M89.5Confident88.6Confident153 Ų15367.8 Ų67.875%0.75435%0.351SS*.THydrogen-bonded Turntrans-78.85.9172-65.2176.675.400113.4P30 V31 V32P30-M34 WeakPolarHBondContact O-CG 3.44Å; P30-M34 PolarHBondContact O-N 3.46Å; V31-M34 PolarHBondContact O-N 3.42Å; V32-M34 PolarHBondContact O-N 3.34Å
35G86.9Confident88.2Confident68 Ų6865.9 Ų65.970%0.70135%0.346SS*.THydrogen-bonded Turntrans86.95176.100000115.7V32 R33V32-G35 PolarHBondContact O-N 3.32Å; R33-G35 PolarHBondContact O-N 3.35Å
36K90.1Very high87.8Confident121 Ų12175 Ų7553%0.52639%0.385SS..  trans-94142.8177.9-66.1-177.7-179.1-177.30111.8V31 V32 C38 L54V31-K36 HydrophobicContact CG1-CB 3.74Å; V31-K36 HydrophobicContact CG1-CD 4.28Å; V31-K36 PolarHBondContact O-N 3.22Å; V31-K36 VanDerWaalsContact O-N 3.15Å; V32-K36 WeakPolarHBondContact CA-O 3.37Å; K36-C38 PolarHBondContact O-N 3.02Å; K36-L54 HydrophobicContact CD-CD2 4.49Å
37L88.9Confident87.5Confident113 Ų11374 Ų7459%0.59238%0.383SS*.  trans-7962.7-179.2-63175.5000112.7L54L37-L54 WeakPolarHBondContact O-CD1 3.2Å
38C88.8Confident87.5Confident1 Ų168.3 Ų68.31%0.00736%0.358CS..SBendtrans-77.3-36.2178.1172.50000113.2V31 V32 K36 I50 S51 L54 C55V31-C38 HydrophobicContact CB-CB 3.71Å; V31-C38 HydrophobicContact CG1-CB 3.47Å; V31-C38 VanDerWaalsContact CG1-CB 3.47Å; V32-C38 HydrophobicContact CG2-CB 4.13Å; K36-C38 PolarHBondContact O-N 3.02Å; C38-I50 WeakPolarHBondContact O-CA 3.25Å; C38-S51 PolarHBondContact O-N 3.47Å; C38-L54 HydrophobicContact CB-CB 3.97Å; C38-C55 VanDerWaalsContact SG-CA 3.53Å
39I90.5Very high87.4Confident2 Ų271.5 Ų71.51%0.0137%0.366CS..EExtended strand (participates in β ladder)trans-127.5119.6179-57.1-173.7000108.7C25 K26 C29 V32 V41 V48 W49 I50 C61C25-I39 HydrophobicContact CB-CD1 4.44Å; C25-I39 WeakPolarHBondContact O-CD1 3.29Å; K26-I39 HydrophobicContact CB-CG2 4.26Å; C29-I39 HydrophobicContact CB-CD1 3.78Å; C29-I39 HydrophobicContact CB-CG1 4.35Å; V32-I39 HydrophobicContact CG2-CB 4.11Å; V32-I39 HydrophobicContact CG2-CG1 4.43Å; I39-V41 HydrophobicContact CG2-CG1 4.3Å; I39-V48 HydrophobicContact CG2-CG1 3.52Å; I39-W49 WeakPolarHBondContact CA-O 3.45Å; I39-I50 HydrophobicContact CG1-CG1 4.21Å; I39-I50 HydrophobicContact CG1-CG2 4.39Å; I39-I50 HydrophobicContact CG2-CG1 4.42Å; I39-C61 HydrophobicContact CD1-CB 4.14Å
40E89.7Confident87.4Confident87 Ų8771.3 Ų71.341%0.40737%0.365SS..EExtended strand (participates in β ladder)trans-109.4115.9177.6-63.2-174.2-169.600109.6W49E40-W49 HydrophobicContact CB-CB 4.42Å; E40-W49 HydrophobicContact CB-CE3 3.94Å; E40-W49 HydrophobicContact CG-CE3 3.82Å; E40-W49 HydrophobicContact CG-CZ3 4.09Å; E40-W49 PolarHBondContact N-O 3.45Å; E40-W49 PolarHBondContact O-N 3.19Å
41V88.7Confident87.2Confident4 Ų470 Ų702%0.02436%0.356CS..  trans-157.2140.1175.460.20000109P18 Q23 K26 I39 V48P18-V41 HydrophobicContact CB-CG2 3.7Å; P18-V41 HydrophobicContact CG-CG2 3.95Å; Q23-V41 HydrophobicContact CB-CG1 3.84Å; Q23-V41 HydrophobicContact CG-CB 4.44Å; Q23-V41 HydrophobicContact CG-CG1 3.8Å; Q23-V41 HydrophobicContact CG-CG2 3.9Å; K26-V41 HydrophobicContact CB-CG1 3.77Å; K26-V41 HydrophobicContact CD-CG1 4.02Å; K26-V41 HydrophobicContact CG-CG1 4.44Å; I39-V41 HydrophobicContact CG2-CG1 4.3Å; V41-V48 HydrophobicContact CB-CB 4.29Å; V41-V48 HydrophobicContact CB-CG1 4.27Å; V41-V48 HydrophobicContact CB-CG2 3.85Å; V41-V48 HydrophobicContact CG1-CG2 4.27Å; V41-V48 HydrophobicContact CG2-CB 4.39Å; V41-V48 HydrophobicContact CG2-CG2 3.6Å
42T84.9Confident86.9Confident70 Ų7071.3 Ų71.343%0.42936%0.362SS..  trans-122.7170.9169.871.50000110.1Q44 S45T42-Q44 PolarHBondContact O-N 3.06Å; T42-Q44 PolarHBondContact OG1-N 3.16Å; T42-S45 PolarHBondContact N-OG 2.82Å; T42-S45 WeakPolarHBondContact O-CB 3.18Å; T42-S45 PolarHBondContact O-N 2.93Å; T42-S45 PolarHBondContact OG1-N 2.74Å; T42-S45 VanDerWaalsContact OG1-N 3.11Å; T42-S45 PolarHBondContact OG1-OG 2.92Å
43A79.8Confident86.5Confident52 Ų5275 Ų7543%0.4339%0.389SS..SBendtrans-67.2-24.7176.200000112.8K19 Q23K19-A43 WeakPolarHBondContact CG-O 3.31Å; Q23-A43 VanDerWaalsContact NE2-N 3.11Å
44Q80.6Confident86.4Confident174 Ų17469 Ų6981%0.81337%0.371SS*.SBendtrans-86.6-22.7178.1-64.9178-800112.2T42 K46T42-Q44 PolarHBondContact O-N 3.06Å; T42-Q44 PolarHBondContact OG1-N 3.16Å; Q44-K46 PolarHBondContact O-N 3.29Å
45S80.3Confident86.2Confident37 Ų3762.2 Ų62.226%0.25934%0.338SS..  trans-56.9131.9177.2-58.60000110.7P18 T42 I47P18-S45 WeakPolarHBondContact CG-O 3.31Å; T42-S45 PolarHBondContact N-OG 2.82Å; T42-S45 WeakPolarHBondContact O-CB 3.18Å; T42-S45 PolarHBondContact O-N 2.93Å; T42-S45 PolarHBondContact OG1-N 2.74Å; T42-S45 VanDerWaalsContact OG1-N 3.11Å; T42-S45 PolarHBondContact OG1-OG 2.92Å; S45-I47 VanDerWaalsContact C-N 3.28Å; S45-I47 WeakPolarHBondContact CB-O 3.45Å
46K81.4Confident86.1Confident199 Ų19963.2 Ų63.287%0.86533%0.327SS*.SBendtrans-67.1-34.5171.6-68.4-176.1-179.7178.50111P18 Q44P18-K46 WeakPolarHBondContact CD-O 3.47Å; Q44-K46 PolarHBondContact O-N 3.29Å
47I84.1Confident85.7Confident51 Ų5158.5 Ų58.526%0.26231%0.312SS..SBendtrans-138.4162.7-178-155.6155.2000112.5V11 H13 C16 S45V11-I47 HydrophobicContact CB-CD1 4.35Å; V11-I47 HydrophobicContact CB-CG1 4.44Å; V11-I47 HydrophobicContact CG1-CD1 3.81Å; V11-I47 HydrophobicContact CG1-CG1 3.62Å; H13-I47 HydrophobicContact CB-CD1 4.13Å; H13-I47 WeakPolarHBondContact CE1-CD1 3.44Å; H13-I47 VanDerWaalsContact CG-CD1 3.46Å; H13-I47 WeakPolarHBondContact ND1-CD1 3.48Å; C16-I47 HydrophobicContact CB-CG1 4.19Å; S45-I47 VanDerWaalsContact C-N 3.28Å; S45-I47 WeakPolarHBondContact CB-O 3.45Å
48V89.5Confident85.6Confident4 Ų455.7 Ų55.72%0.02430%0.302CS..  trans-85.4135.8169.7176.50000108.5P18 I39 V41 I50P18-V48 HydrophobicContact CG-CG2 4.36Å; I39-V48 HydrophobicContact CG2-CG1 3.52Å; V41-V48 HydrophobicContact CB-CB 4.29Å; V41-V48 HydrophobicContact CB-CG1 4.27Å; V41-V48 HydrophobicContact CB-CG2 3.85Å; V41-V48 HydrophobicContact CG1-CG2 4.27Å; V41-V48 HydrophobicContact CG2-CB 4.39Å; V41-V48 HydrophobicContact CG2-CG2 3.6Å; V48-I50 HydrophobicContact CG1-CD1 4.45Å; V48-I50 HydrophobicContact CG1-CG1 3.94Å
49W89.5Confident85.3Confident93 Ų9356.4 Ų56.435%0.35231%0.309SS..EExtended strand (participates in β ladder)trans-105136.9167.3-179.188.9000110I39 E40I39-W49 WeakPolarHBondContact CA-O 3.45Å; E40-W49 HydrophobicContact CB-CB 4.42Å; E40-W49 HydrophobicContact CB-CE3 3.94Å; E40-W49 HydrophobicContact CG-CE3 3.82Å; E40-W49 HydrophobicContact CG-CZ3 4.09Å; E40-W49 PolarHBondContact N-O 3.45Å; E40-W49 PolarHBondContact O-N 3.19Å
50I89.4Confident85.2Confident3 Ų359.4 Ų59.42%0.01532%0.324CS..EExtended strand (participates in β ladder)trans-125122.6179.1-57.8172.6000109.2A9 V11 C38 I39 V48 E52 C55 L70 N90A9-I50 HydrophobicContact CB-CB 3.71Å; A9-I50 HydrophobicContact CB-CD1 4.11Å; A9-I50 HydrophobicContact CB-CG2 3.5Å; A9-I50 VanDerWaalsContact CB-CG2 3.5Å; V11-I50 HydrophobicContact CG2-CD1 4.03Å; V11-I50 HydrophobicContact CG2-CG1 4.41Å; C38-I50 WeakPolarHBondContact O-CA 3.25Å; I39-I50 HydrophobicContact CG1-CG1 4.21Å; I39-I50 HydrophobicContact CG1-CG2 4.39Å; I39-I50 HydrophobicContact CG2-CG1 4.42Å; V48-I50 HydrophobicContact CG1-CD1 4.45Å; V48-I50 HydrophobicContact CG1-CG1 3.94Å; I50-E52 PolarHBondContact O-N 2.82Å; I50-C55 HydrophobicContact CG2-CB 4.44Å; I50-L70 HydrophobicContact CD1-CD1 4.32Å; I50-L70 HydrophobicContact CD1-CD2 3.89Å; I50-N90 PolarHBondContact N-OD1 2.67Å; I50-N90 PolarHBondContact O-ND2 2.75Å
51S87.3Confident85.1Confident8 Ų855.5 Ų55.56%0.05631%0.307CS..  trans-70115.7171.9176.50000110.7C38 S53 L54 C55C38-S51 PolarHBondContact O-N 3.47Å; S51-S53 VanDerWaalsContact C-N 3.31Å; S51-S53 PolarHBondContact OG-OG 2.98Å; S51-S53 VanDerWaalsContact OG-OG 3.08Å; S51-L54 WeakPolarHBondContact OG-CG 3.43Å; S51-L54 PolarHBondContact OG-N 3.24Å; S51-C55 WeakPolarHBondContact O-CB 3.47Å; S51-C55 PolarHBondContact O-N 3.48Å; S51-C55 VanDerWaalsContact O-N 3.1Å
52E84.4Confident85Confident37 Ų3758 Ų5817%0.17332%0.319CS..THydrogen-bonded Turntrans-67.4-31.2176.6-69.3174.8170.600112.1R7 A9 I50 R86 K93R7-E52 WeakPolarHBondContact O-CB 2.98Å; A9-E52 HydrophobicContact CB-CG 4.46Å; I50-E52 PolarHBondContact O-N 2.82Å; E52-R86 IonicContact OE1-CZ 2.85Å; E52-R86 IonicContact OE1-NH1 2.94Å; E52-R86 PolarHBondContact OE1-NH1 2.9Å; E52-R86 IonicContact OE1-NH2 3.42Å; E52-R86 PolarHBondContact OE1-NH2 3.01Å; E52-R86 IonicContact OE2-CZ 3.79Å; E52-R86 IonicContact OE2-NH1 3.19Å; E52-R86 PolarHBondContact OE2-NH1 3.13Å; E52-R86 IonicContact OE2-NH2 3.95Å; E52-K93 WeakPolarHBondContact OE1-CE 3.36Å; E52-K93 IonicContact OE1-NZ 3.64Å; E52-K93 PolarHBondContact OE1-NZ 3.31Å; E52-K93 IonicContact OE2-NZ 3.32Å; E52-K93 PolarHBondContact OE2-NZ 3.48Å
53S83.6Confident85.1Confident109 Ų10963.7 Ų63.776%0.76234%0.338SS*.THydrogen-bonded Turntrans-76.5-35-179.357.90000113.4S51S51-S53 VanDerWaalsContact C-N 3.31Å; S51-S53 PolarHBondContact OG-OG 2.98Å; S51-S53 VanDerWaalsContact OG-OG 3.08Å
54L86.5Confident85.5Confident64 Ų6466.7 Ų66.734%0.33534%0.341SS..THydrogen-bonded Turntrans-90.1-22-179.6-62.8176000113.2V31 K36 L37 C38 S51 I56V31-L54 HydrophobicContact CG1-CB 4.49Å; K36-L54 HydrophobicContact CD-CD2 4.49Å; L37-L54 WeakPolarHBondContact O-CD1 3.2Å; C38-L54 HydrophobicContact CB-CB 3.97Å; S51-L54 WeakPolarHBondContact OG-CG 3.43Å; S51-L54 PolarHBondContact OG-N 3.24Å; L54-I56 PolarHBondContact O-N 3.32Å
55C84.6Confident85.8Confident9 Ų959.4 Ų59.46%0.06131%0.31CS..  trans-64.8125.3-179.8-179.40000111.1R7 C38 I50 S51 G57R7-C55 WeakPolarHBondContact CD-O 3.35Å; R7-C55 PolarHBondContact NH1-O 3.23Å; C38-C55 VanDerWaalsContact SG-CA 3.53Å; I50-C55 HydrophobicContact CG2-CB 4.44Å; S51-C55 WeakPolarHBondContact O-CB 3.47Å; S51-C55 PolarHBondContact O-N 3.48Å; S51-C55 VanDerWaalsContact O-N 3.1Å; C55-G57 VanDerWaalsContact C-N 3.35Å; C55-G57 PolarHBondContact SG-N 2.98Å; C55-G57 VanDerWaalsContact SG-N 3.39Å
56I85.8Confident86Confident89 Ų8961.3 Ų61.346%0.45632%0.321SS..  trans-85.4-1176.663.3171.6000114.2R7 P30 V31 L54 C58R7-I56 PolarHBondContact NE-O 3.41Å; R7-I56 VanDerWaalsContact NH1-CA 3.27Å; R7-I56 PolarHBondContact NH2-O 2.69Å; P30-I56 HydrophobicContact CG-CD1 3.88Å; V31-I56 HydrophobicContact CG2-CB 4.28Å; V31-I56 HydrophobicContact CG2-CD1 4.06Å; V31-I56 HydrophobicContact CG2-CG1 3.77Å; V31-I56 HydrophobicContact CG2-CG2 3.76Å; L54-I56 PolarHBondContact O-N 3.32Å; I56-C58 VanDerWaalsContact C-N 3.31Å; I56-C58 HydrophobicContact CD1-CB 4.17Å; I56-C58 HydrophobicContact CG1-CB 4.08Å; I56-C58 PolarHBondContact O-N 3.07Å
57G82.5Confident86.1Confident22 Ų2255.6 Ų55.623%0.22730%0.296CS..  trans71.818.1177.700000115.6C55 G59C55-G57 VanDerWaalsContact C-N 3.35Å; C55-G57 PolarHBondContact SG-N 2.98Å; C55-G57 VanDerWaalsContact SG-N 3.39Å; G57-G59 PolarHBondContact O-N 2.71Å; G57-G59 VanDerWaalsContact O-N 3.1Å
58C85.1Confident86Confident55 Ų5555.2 Ų55.237%0.37231%0.305SS..  trans-63.9-13.7-178.362.40000115.2I56 I60I56-C58 VanDerWaalsContact C-N 3.31Å; I56-C58 HydrophobicContact CD1-CB 4.17Å; I56-C58 HydrophobicContact CG1-CB 4.08Å; I56-C58 PolarHBondContact O-N 3.07Å; C58-I60 HydrophobicContact CB-CD1 4.09Å; C58-I60 HydrophobicContact CB-CG1 4.1Å; C58-I60 PolarHBondContact O-N 3.01Å
59G83.3Confident85.8Confident15 Ų1555.1 Ų55.116%0.15530%0.304CS..  trans671.9179.100000115.9G57 C61 I62 K63G57-G59 PolarHBondContact O-N 2.71Å; G57-G59 VanDerWaalsContact O-N 3.1Å; G59-C61 VanDerWaalsContact C-N 3.33Å; G59-C61 PolarHBondContact O-N 2.78Å; G59-I62 WeakPolarHBondContact O-CB 3.45Å; G59-I62 PolarHBondContact O-N 3.01Å; G59-I62 VanDerWaalsContact O-N 3.15Å; G59-K63 PolarHBondContact O-N 3.41Å
60I88.9Confident85.6Confident65 Ų6550.9 Ų50.933%0.33329%0.289SS..Hα-helixtrans-62-41.7-177-62.2170.7000111.2P30 C58 I62 K63 K64P30-I60 HydrophobicContact CG-CD1 4.27Å; C58-I60 HydrophobicContact CB-CD1 4.09Å; C58-I60 HydrophobicContact CB-CG1 4.1Å; C58-I60 PolarHBondContact O-N 3.01Å; I60-I62 PolarHBondContact O-N 3.18Å; I60-K63 PolarHBondContact O-N 3.17Å; I60-K64 HydrophobicContact CG2-CG 4.22Å; I60-K64 WeakPolarHBondContact O-CB 3.42Å; I60-K64 WeakPolarHBondContact O-CG 3.4Å; I60-K64 PolarHBondContact O-N 2.85Å
61C87.8Confident85.2Confident5 Ų553.5 Ų53.53%0.03431%0.308CS..Hα-helixtrans-64.3-27.2178.856.70000113.1C25 I39 G59 C65 L70 I72C25-C61 HydrophobicContact CB-CB 4.1Å; I39-C61 HydrophobicContact CD1-CB 4.14Å; G59-C61 VanDerWaalsContact C-N 3.33Å; G59-C61 PolarHBondContact O-N 2.78Å; C61-C65 WeakPolarHBondContact O-CB 3.5Å; C61-C65 PolarHBondContact O-N 2.88Å; C61-C65 VanDerWaalsContact O-N 3.1Å; C61-L70 HydrophobicContact CB-CD1 4.01Å; C61-I72 WeakPolarHBondContact SG-CD1 3.46Å
62I86.9Confident85Confident57 Ų5754.5 Ų54.529%0.29231%0.312SS..Hα-helixtrans-69.7-52.5175.5-56.2171.9000109.2G59 I60 K64 C65 L70 I72G59-I62 WeakPolarHBondContact O-CB 3.45Å; G59-I62 PolarHBondContact O-N 3.01Å; G59-I62 VanDerWaalsContact O-N 3.15Å; I60-I62 PolarHBondContact O-N 3.18Å; I62-K64 PolarHBondContact O-N 3.27Å; I62-C65 WeakPolarHBondContact O-CB 3.34Å; I62-C65 PolarHBondContact O-N 3.18Å; I62-C65 VanDerWaalsContact O-N 3.11Å; I62-L70 HydrophobicContact CG1-CB 4.44Å; I62-I72 HydrophobicContact CD1-CB 3.88Å; I62-I72 HydrophobicContact CD1-CD1 4.32Å; I62-I72 HydrophobicContact CD1-CG1 4.02Å; I62-I72 HydrophobicContact CG1-CD1 4.39Å; I62-I72 HydrophobicContact CG1-CG1 4.31Å
63K86.4Confident84.7Confident189 Ų18953.9 Ų53.982%0.82231%0.31SS*.Hα-helixtrans-63.4-30.4-179.3-65.1-176.2179.6-177.70113G59 I60G59-K63 PolarHBondContact O-N 3.41Å; I60-K63 PolarHBondContact O-N 3.17Å
64K88.5Confident84.2Confident115 Ų11553 Ų5350%0.530%0.298SS..THydrogen-bonded Turntrans-92.7-0.3178.3-64.6-64.1-175-178.30113.4I60 I62 P66I60-K64 HydrophobicContact CG2-CG 4.22Å; I60-K64 WeakPolarHBondContact O-CB 3.42Å; I60-K64 WeakPolarHBondContact O-CG 3.4Å; I60-K64 PolarHBondContact O-N 2.85Å; I62-K64 PolarHBondContact O-N 3.27Å; K64-P66 VanDerWaalsContact O-CD 3.27Å; K64-P66 WeakPolarHBondContact O-CD 3.34Å
65C87.1Confident83.4Confident22 Ų2250.2 Ų50.215%0.14928%0.283CS..  trans-78.7116.3175.6-171.90000109.3C61 I62 F67 G68 A69 L70C61-C65 WeakPolarHBondContact O-CB 3.5Å; C61-C65 PolarHBondContact O-N 2.88Å; C61-C65 VanDerWaalsContact O-N 3.1Å; I62-C65 WeakPolarHBondContact O-CB 3.34Å; I62-C65 PolarHBondContact O-N 3.18Å; I62-C65 VanDerWaalsContact O-N 3.11Å; C65-F67 PolarHBondContact O-N 2.8Å; C65-F67 VanDerWaalsContact O-N 3.16Å; C65-G68 PolarHBondContact O-N 3.47Å; C65-A69 PolarHBondContact SG-N 3.45Å; C65-A69 VanDerWaalsContact SG-N 3.36Å; C65-L70 HydrophobicContact CB-CD1 4.49Å; C65-L70 HydrophobicContact CB-CG 4.46Å
66P83.9Confident82.6Confident76 Ų7652.3 Ų52.349%0.49430%0.296SS..THydrogen-bonded Turntrans-67.3-19-178.426.7-34.9000113.2C21 K64C21-P66 HydrophobicContact CB-CG 3.59Å; K64-P66 VanDerWaalsContact O-CD 3.27Å; K64-P66 WeakPolarHBondContact O-CD 3.34Å
67F83.8Confident81.7Confident79 Ų7949.5 Ų49.535%0.34628%0.284SS..THydrogen-bonded Turntrans-106.30.6-178.9-59.4-64.9000113.5K15 K17 K20 C21 C65 A69K15-F67 VanDerWaalsContact O-CB 3.26Å; K15-F67 WeakPolarHBondContact O-CB 3.48Å; K17-F67 HydrophobicContact CB-CD2 4.25Å; K17-F67 HydrophobicContact CB-CE2 3.93Å; K17-F67 HydrophobicContact CB-CZ 4.4Å; K20-F67 HydrophobicContact CB-CE2 3.98Å; K20-F67 HydrophobicContact CB-CZ 3.74Å; C21-F67 HydrophobicContact CB-CD2 3.97Å; C21-F67 HydrophobicContact CB-CE2 3.72Å; C65-F67 PolarHBondContact O-N 2.8Å; C65-F67 VanDerWaalsContact O-N 3.16Å; F67-A69 PolarHBondContact O-N 3.21Å
68G82.1Confident81Confident43 Ų4353.2 Ų53.244%0.44330%0.299SS..  trans56.333.4-176.200000113.7C65C65-G68 PolarHBondContact O-N 3.47Å
69A85Confident80.5Confident2 Ų250.9 Ų50.92%0.01728%0.283CS..  trans-84.5-9.9-17200000114.2N12 K15 C16 C65 F67N12-A69 PolarHBondContact N-O 3.04Å; K15-A69 HydrophobicContact CB-CB 3.67Å; C16-A69 HydrophobicContact CB-CB 3.88Å; C65-A69 PolarHBondContact SG-N 3.45Å; C65-A69 VanDerWaalsContact SG-N 3.36Å; F67-A69 PolarHBondContact O-N 3.21Å
70L85.6Confident80.1Confident5 Ų554.9 Ų54.93%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-109.8138.1-174.2-54.7-179000110.2V11 C25 I50 C61 I62 C65V11-L70 HydrophobicContact CB-CD2 4.29Å; V11-L70 HydrophobicContact CG1-CD2 3.94Å; V11-L70 HydrophobicContact CG2-CD2 3.68Å; C25-L70 HydrophobicContact CB-CD1 3.52Å; I50-L70 HydrophobicContact CD1-CD1 4.32Å; I50-L70 HydrophobicContact CD1-CD2 3.89Å; C61-L70 HydrophobicContact CB-CD1 4.01Å; I62-L70 HydrophobicContact CG1-CB 4.44Å; C65-L70 HydrophobicContact CB-CD1 4.49Å; C65-L70 HydrophobicContact CB-CG 4.46Å
71S81.1Confident79.5Confident58 Ų5860 Ų6041%0.40632%0.317SS..EExtended strand (participates in β ladder)trans-134.3132171-58.40000108.9A9 I10A9-S71 WeakPolarHBondContact CA-O 3.22Å; I10-S71 PolarHBondContact N-O 3.3Å; I10-S71 PolarHBondContact O-N 3.13Å
72I83.1Confident79.3Confident28 Ų2862.5 Ų62.514%0.14433%0.328CS..EExtended strand (participates in β ladder)trans-117.8120.1174-59168.8000107I8 C61 I62I8-I72 WeakPolarHBondContact O-CA 3.41Å; C61-I72 WeakPolarHBondContact SG-CD1 3.46Å; I62-I72 HydrophobicContact CD1-CB 3.88Å; I62-I72 HydrophobicContact CD1-CD1 4.32Å; I62-I72 HydrophobicContact CD1-CG1 4.02Å; I62-I72 HydrophobicContact CG1-CD1 4.39Å; I62-I72 HydrophobicContact CG1-CG1 4.31Å
73V76.8Confident79.5Confident24 Ų2460.3 Ų60.315%0.14532%0.318CS..EExtended strand (participates in β ladder)trans-111.9128.8177.7-173.40000107.8R7 I8 I10 V292 Y296R7-V73 WeakPolarHBondContact CA-O 3.11Å; I8-V73 PolarHBondContact N-O 3.49Å; I8-V73 PolarHBondContact O-N 3.41Å; I10-V73 HydrophobicContact CD1-CG2 4.14Å; V73-V292 HydrophobicContact CG2-CG2 4.47Å; V73-Y296 HydrophobicContact CB-CE1 4.3Å; V73-Y296 HydrophobicContact CG1-CD1 4.15Å; V73-Y296 HydrophobicContact CG1-CE1 3.45Å; V73-Y296 VanDerWaalsContact CG1-CE1 3.45Å; V73-Y296 HydrophobicContact CG2-CE1 4.45Å
74N73.4Confident79.7Confident92 Ų9251.3 Ų51.349%0.49228%0.279SS..EExtended strand (participates in β ladder)trans-81.1123.7167.6-63.1-39.9000108.1
75L70.4Confident79.9Confident5 Ų546.3 Ų46.33%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-103.5145173-74.5-179.2000110.6T6 I8 S77 L79 Y296T6-L75 PolarHBondContact N-O 3.3Å; T6-L75 PolarHBondContact O-N 2.99Å; T6-L75 PolarHBondContact OG1-O 2.99Å; I8-L75 HydrophobicContact CD1-CD1 3.24Å; I8-L75 HydrophobicContact CD1-CG 4.12Å; I8-L75 HydrophobicContact CG1-CD1 3.49Å; I8-L75 VanDerWaalsContact CG1-CD1 3.49Å; I8-L75 HydrophobicContact CG1-CG 4.15Å; L75-S77 PolarHBondContact O-N 3.48Å; L75-L79 HydrophobicContact CD2-CD1 4.11Å; L75-Y296 HydrophobicContact CD2-CD1 4.13Å; L75-Y296 HydrophobicContact CD2-CD2 3.68Å; L75-Y296 HydrophobicContact CD2-CE1 3.91Å; L75-Y296 HydrophobicContact CD2-CE2 3.4Å; L75-Y296 HydrophobicContact CD2-CG 4.03Å
76P67.9Low80Confident52 Ų5246.1 Ų46.134%0.33825%0.253SS..PPolyproline II helixtrans-48.7133159.1-22.928.6000110.9T6 N78 L79 L322T6-P76 PolarHBondContact OG1-O 3.43Å; P76-N78 PolarHBondContact O-N 3.32Å; P76-N78 VanDerWaalsContact O-N 3.09Å; P76-L79 HydrophobicContact CB-CD1 4.33Å; P76-L79 HydrophobicContact CB-CG 4.43Å; P76-L79 HydrophobicContact CG-CD1 4.01Å; P76-L79 PolarHBondContact O-N 2.84Å; P76-L79 VanDerWaalsContact O-N 3.1Å; P76-L322 HydrophobicContact CG-CD1 4.3Å
77S66Low80.1Confident30 Ų3047.3 Ų47.321%0.2125%0.249CC..Hα-helixtrans-57.9-24.9-178.365.60000113.8K4 T6 L75 L79K4-S77 VanDerWaalsContact O-CB 3.26Å; K4-S77 WeakPolarHBondContact O-CB 3.22Å; T6-S77 WeakPolarHBondContact OG1-CA 3.42Å; L75-S77 PolarHBondContact O-N 3.48Å; S77-L79 VanDerWaalsContact C-N 3.33Å; S77-L79 PolarHBondContact O-N 3.21Å
78N67.5Low80Confident100 Ų10045.7 Ų45.754%0.53525%0.247SC..Hα-helixtrans-67.3-30.8179-63.8-16.9000113.1P76 E80P76-N78 PolarHBondContact O-N 3.32Å; P76-N78 VanDerWaalsContact O-N 3.09Å; N78-E80 PolarHBondContact O-N 3.27Å
79L75.3Confident80Confident7 Ų744.9 Ų44.94%0.03724%0.235CC..Hα-helixtrans-76.3-23.4-174.4-69.9173.5000113.5L75 P76 S77 K81 E82 H95 V298L75-L79 HydrophobicContact CD2-CD1 4.11Å; P76-L79 HydrophobicContact CB-CD1 4.33Å; P76-L79 HydrophobicContact CB-CG 4.43Å; P76-L79 HydrophobicContact CG-CD1 4.01Å; P76-L79 PolarHBondContact O-N 2.84Å; P76-L79 VanDerWaalsContact O-N 3.1Å; S77-L79 VanDerWaalsContact C-N 3.33Å; S77-L79 PolarHBondContact O-N 3.21Å; L79-K81 VanDerWaalsContact C-N 3.28Å; L79-K81 PolarHBondContact O-N 3.27Å; L79-E82 PolarHBondContact O-N 3.3Å; L79-E82 VanDerWaalsContact O-N 3.1Å; L79-H95 PolarHBondContact O-CE1 2.99Å; L79-H95 PolarHBondContact O-ND1 3.49Å; L79-V298 HydrophobicContact CD1-CG2 3.86Å; L79-V298 HydrophobicContact CD2-CG1 3.75Å; L79-V298 HydrophobicContact CD2-CG2 4Å
80E74.3Confident79.9Confident99 Ų9945 Ų4546%0.46324%0.236SC..Hα-helixtrans-62.7-38.8179.6-172.3174.7-132.800111.3T6 N78 E82 T83T6-E80 HydrophobicContact CG2-CB 3.97Å; T6-E80 VanDerWaalsContact CG2-CD 3.44Å; T6-E80 HydrophobicContact CG2-CG 4.29Å; T6-E80 WeakPolarHBondContact CG2-OE2 3.46Å; N78-E80 PolarHBondContact O-N 3.27Å; E80-E82 PolarHBondContact O-N 3.3Å; E80-T83 PolarHBondContact O-N 3.41Å; E80-T83 PolarHBondContact O-OG1 3.49Å
81K77.1Confident79.9Confident172 Ų17245.4 Ų45.475%0.74824%0.239SC*.THydrogen-bonded Turntrans-65.1-23.3176.9-64.4-177-179.3176.60112.8L79 Y146L79-K81 VanDerWaalsContact C-N 3.28Å; L79-K81 PolarHBondContact O-N 3.27Å; K81-Y146 PolarHBondContact O-OH 3.38Å
82E84Confident80.1Confident57 Ų5743.8 Ų43.827%0.26623%0.225SC..THydrogen-bonded Turntrans-98.517.6-174.3-63.4178.3159.100113.1L79 E80 T84 H95 R96 Y146L79-E82 PolarHBondContact O-N 3.3Å; L79-E82 VanDerWaalsContact O-N 3.1Å; E80-E82 PolarHBondContact O-N 3.3Å; E82-T84 PolarHBondContact O-N 3.42Å; E82-H95 VanDerWaalsContact O-CA 3.31Å; E82-H95 WeakPolarHBondContact O-CA 3.47Å; E82-R96 HydrophobicContact CB-CG 4.15Å; E82-R96 VanDerWaalsContact CD-NE 3.27Å; E82-R96 PolarHBondContact O-N 3.03Å; E82-R96 IonicContact OE1-CZ 2.63Å; E82-R96 IonicContact OE1-NE 3.42Å; E82-R96 PolarHBondContact OE1-NE 3.02Å; E82-R96 IonicContact OE1-NH2 2.73Å; E82-R96 PolarHBondContact OE1-NH2 3.09Å; E82-R96 IonicContact OE2-CZ 3.03Å; E82-R96 IonicContact OE2-NE 3.93Å; E82-R96 PolarHBondContact OE2-NE 2.85Å; E82-R96 IonicContact OE2-NH2 3.43Å; E82-R96 PolarHBondContact OE2-NH2 2.97Å; E82-Y146 WeakPolarHBondContact CA-OH 3.41Å
83T89.3Confident80.4Confident12 Ų1243 Ų437%0.07422%0.22CC..EExtended strand (participates in β ladder)trans-69.2118.3179.4-54.10000110.6E80 H95 L131E80-T83 PolarHBondContact O-N 3.41Å; E80-T83 PolarHBondContact O-OG1 3.49Å; T83-H95 PolarHBondContact OG1-CE1 3.32Å; T83-H95 PolarHBondContact OG1-ND1 2.95Å; T83-L131 WeakPolarHBondContact O-CA 3.38Å
84T91.6Very high81.2Confident0 Ų041.9 Ų41.90%021%0.214CC..EExtended strand (participates in β ladder)trans-97.5-39.5-178.554.60000112.3E82 L94 R96 L97 P129 N130 L131 F147E82-T84 PolarHBondContact O-N 3.42Å; T84-L94 PolarHBondContact N-O 3.49Å; T84-L94 PolarHBondContact OG1-O 3.16Å; T84-R96 WeakPolarHBondContact CG2-O 3.22Å; T84-R96 PolarHBondContact OG1-O 2.9Å; T84-R96 VanDerWaalsContact OG1-O 3.04Å; T84-L97 HydrophobicContact CG2-CG 4.11Å; T84-P129 WeakPolarHBondContact O-CB 2.99Å; T84-N130 PolarHBondContact O-N 3.15Å; T84-L131 WeakPolarHBondContact O-CA 3.3Å; T84-L131 PolarHBondContact O-N 3.44Å; T84-F147 HydrophobicContact CG2-CE1 4.28Å; T84-F147 HydrophobicContact CG2-CZ 3.9Å
85H91.9Very high82Confident9 Ų937.5 Ų37.54%0.04219%0.19CC..EExtended strand (participates in β ladder)trans-149.6145.8179.6-169.677.4000113.4Y87 L94 I122 Q127 N130H85-Y87 AromaticContact NE2-CD1 3.94Å; H85-L94 HydrophobicContact CB-CB 4.39Å; H85-L94 PolarHBondContact N-O 3.48Å; H85-L94 PolarHBondContact O-N 3.35Å; H85-I122 HydrophobicContact CB-CD1 3.79Å; H85-Q127 PolarHBondContact CE1-NE2 3.26Å; H85-Q127 PolarHBondContact NE2-NE2 3.46Å; H85-N130 VanDerWaalsContact CA-OD1 3.3Å; H85-N130 WeakPolarHBondContact CA-OD1 3.33Å; H85-N130 PolarHBondContact ND1-OD1 3.36Å
86R89.2Confident83Confident19 Ų1939.9 Ų39.97%0.07220%0.199CC..EExtended strand (participates in β ladder)trans-141.8132.3172.4-177.8175.4-170.9158.520.8110.1E52 C88 K93 N130 Y134E52-R86 IonicContact OE1-CZ 2.85Å; E52-R86 IonicContact OE1-NH1 2.94Å; E52-R86 PolarHBondContact OE1-NH1 2.9Å; E52-R86 IonicContact OE1-NH2 3.42Å; E52-R86 PolarHBondContact OE1-NH2 3.01Å; E52-R86 IonicContact OE2-CZ 3.79Å; E52-R86 IonicContact OE2-NH1 3.19Å; E52-R86 PolarHBondContact OE2-NH1 3.13Å; E52-R86 IonicContact OE2-NH2 3.95Å; R86-C88 WeakPolarHBondContact CG-O 3.43Å; R86-C88 PolarHBondContact NE-O 3.44Å; R86-K93 HydrophobicContact CB-CG 4.44Å; R86-K93 HydrophobicContact CG-CG 4.12Å; R86-N130 PolarHBondContact N-OD1 3.06Å; R86-N130 PolarHBondContact O-ND2 3.45Å; R86-Y134 HydrophobicContact CG-CD1 4.14Å
87Y86.1Confident84.3Confident101 Ų10137.8 Ų37.840%0.39619%0.185SC..  trans-73.5-48.3-180-73.5-81000112.9H85 F92 T118H85-Y87 AromaticContact NE2-CD1 3.94Å; Y87-F92 HydrophobicContact CD2-CD1 4.37Å; Y87-F92 HydrophobicContact CE2-CD1 4.22Å; Y87-T118 HydrophobicContact CE2-CG2 4.18Å; Y87-T118 WeakPolarHBondContact OH-CG2 3.49Å; Y87-T118 PolarHBondContact OH-OG1 3.09Å
88C83.1Confident85.6Confident45 Ų4536.3 Ų36.330%0.30418%0.175SC..SBendtrans-160-177.417761.90000112R86 N90 S91R86-C88 WeakPolarHBondContact CG-O 3.43Å; R86-C88 PolarHBondContact NE-O 3.44Å; C88-N90 PolarHBondContact O-N 3.24Å; C88-S91 PolarHBondContact N-OG 3.16Å; C88-S91 PolarHBondContact O-N 3.04Å; C88-S91 PolarHBondContact O-OG 2.83Å; C88-S91 WeakPolarHBondContact SG-CB 3.45Å
89A81.6Confident86.8Confident25 Ų2532.7 Ų32.721%0.20716%0.155CC..THydrogen-bonded Turntrans-56.5135.5172.200000111.3S91 Y134A89-S91 PolarHBondContact O-N 2.93Å; A89-S91 VanDerWaalsContact O-N 3.1Å; A89-Y134 HydrophobicContact CB-CE2 4.2Å; A89-Y134 WeakPolarHBondContact CB-OH 3.38Å
90N83.2Confident87.6Confident6 Ų632.8 Ų32.83%0.03216%0.156CC..THydrogen-bonded Turntrans53.424.9-179-51.7120.9000116A9 I10 V11 I50 C88A9-N90 VanDerWaalsContact O-CA 3.25Å; A9-N90 WeakPolarHBondContact O-CA 3.42Å; A9-N90 VanDerWaalsContact O-CB 3.27Å; A9-N90 WeakPolarHBondContact O-CB 3.25Å; A9-N90 PolarHBondContact O-ND2 3.48Å; I10-N90 VanDerWaalsContact CA-O 3.31Å; I10-N90 WeakPolarHBondContact CA-O 3.24Å; V11-N90 HydrophobicContact CB-CB 4.23Å; V11-N90 HydrophobicContact CG2-CB 3.85Å; V11-N90 PolarHBondContact N-O 2.97Å; I50-N90 PolarHBondContact N-OD1 2.67Å; I50-N90 PolarHBondContact O-ND2 2.75Å; C88-N90 PolarHBondContact O-N 3.24Å
91S84.7Confident88.5Confident13 Ų1331.9 Ų31.99%0.09115%0.148CC..SBendtrans-101.3179.4171.977.10000113.1C88 A89 K93C88-S91 PolarHBondContact N-OG 3.16Å; C88-S91 PolarHBondContact O-N 3.04Å; C88-S91 PolarHBondContact O-OG 2.83Å; C88-S91 WeakPolarHBondContact SG-CB 3.45Å; A89-S91 PolarHBondContact O-N 2.93Å; A89-S91 VanDerWaalsContact O-N 3.1Å; S91-K93 PolarHBondContact O-N 2.87Å
92F86.1Confident89.2Confident23 Ų2326.3 Ų26.310%0.10113%0.129CC..  trans-45.8134.4169.2-178.8-97.7000113Y87 L94 G113 I114 A295Y87-F92 HydrophobicContact CD2-CD1 4.37Å; Y87-F92 HydrophobicContact CE2-CD1 4.22Å; F92-L94 HydrophobicContact CE1-CB 4.02Å; F92-L94 HydrophobicContact CE1-CD1 4.46Å; F92-L94 HydrophobicContact CZ-CD1 4.35Å; F92-G113 WeakPolarHBondContact CE2-O 3.35Å; F92-I114 VanDerWaalsContact CZ-C 3.46Å; F92-I114 VanDerWaalsContact CZ-O 3.3Å; F92-I114 WeakPolarHBondContact CZ-O 3.32Å; F92-A295 WeakPolarHBondContact CA-O 3.34Å
93K89.3Confident89.5Confident12 Ų1224.6 Ų24.65%0.05213%0.127CC..EExtended strand (participates in β ladder)trans-117.8135.1170.9-59.4-166.9-164.1177.90111I8 E52 R86 S91 A295 Y296 G297I8-K93 HydrophobicContact CD1-CB 4.26Å; I8-K93 HydrophobicContact CD1-CD 3.63Å; I8-K93 HydrophobicContact CD1-CG 4.1Å; I8-K93 HydrophobicContact CG1-CD 4.27Å; E52-K93 WeakPolarHBondContact OE1-CE 3.36Å; E52-K93 IonicContact OE1-NZ 3.64Å; E52-K93 PolarHBondContact OE1-NZ 3.31Å; E52-K93 IonicContact OE2-NZ 3.32Å; E52-K93 PolarHBondContact OE2-NZ 3.48Å; R86-K93 HydrophobicContact CB-CG 4.44Å; R86-K93 HydrophobicContact CG-CG 4.12Å; S91-K93 PolarHBondContact O-N 2.87Å; K93-A295 PolarHBondContact N-O 3.46Å; K93-Y296 CarbonylContact O-C 3.6Å; K93-Y296 WeakPolarHBondContact O-CA 3.49Å; K93-G297 PolarHBondContact O-N 3.48Å
94L92.6Very high89.7Confident0 Ų027 Ų270%014%0.137CC..EExtended strand (participates in β ladder)trans-100.3132.1169.4-171.363.6000109.2T84 H85 F92 L97 T118 A119 I122 V299T84-L94 PolarHBondContact N-O 3.49Å; T84-L94 PolarHBondContact OG1-O 3.16Å; H85-L94 HydrophobicContact CB-CB 4.39Å; H85-L94 PolarHBondContact N-O 3.48Å; H85-L94 PolarHBondContact O-N 3.35Å; F92-L94 HydrophobicContact CE1-CB 4.02Å; F92-L94 HydrophobicContact CE1-CD1 4.46Å; F92-L94 HydrophobicContact CZ-CD1 4.35Å; L94-L97 HydrophobicContact CD2-CD2 3.81Å; L94-T118 HydrophobicContact CD2-CG2 4.19Å; L94-A119 HydrophobicContact CD2-CB 4.16Å; L94-I122 HydrophobicContact CD2-CD1 4.14Å; L94-V299 HydrophobicContact CD1-CG2 4.37Å
95H91.6Very high89.9Confident1 Ų127 Ų271%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-114.9134.1174.6-58.8-86.2000109.2L79 E82 T83 G297 V298 V299L79-H95 PolarHBondContact O-CE1 2.99Å; L79-H95 PolarHBondContact O-ND1 3.49Å; E82-H95 VanDerWaalsContact O-CA 3.31Å; E82-H95 WeakPolarHBondContact O-CA 3.47Å; T83-H95 PolarHBondContact OG1-CE1 3.32Å; T83-H95 PolarHBondContact OG1-ND1 2.95Å; H95-G297 PolarHBondContact N-O 2.91Å; H95-V298 HydrophobicContact CB-CB 4.4Å; H95-V298 HydrophobicContact CB-CG1 4.3Å; H95-V298 HydrophobicContact CB-CG2 4.06Å; H95-V299 PolarHBondContact O-N 2.73Å; H95-V299 VanDerWaalsContact O-N 3.1Å
96R91.8Very high90.2Very high55 Ų5526.9 Ų26.921%0.20814%0.137CC..SBendtrans57.7177.4-172-55.8173.5179.1174.52.2113.1E82 T84 V299 E320E82-R96 HydrophobicContact CB-CG 4.15Å; E82-R96 VanDerWaalsContact CD-NE 3.27Å; E82-R96 PolarHBondContact O-N 3.03Å; E82-R96 IonicContact OE1-CZ 2.63Å; E82-R96 IonicContact OE1-NE 3.42Å; E82-R96 PolarHBondContact OE1-NE 3.02Å; E82-R96 IonicContact OE1-NH2 2.73Å; E82-R96 PolarHBondContact OE1-NH2 3.09Å; E82-R96 IonicContact OE2-CZ 3.03Å; E82-R96 IonicContact OE2-NE 3.93Å; E82-R96 PolarHBondContact OE2-NE 2.85Å; E82-R96 IonicContact OE2-NH2 3.43Å; E82-R96 PolarHBondContact OE2-NH2 2.97Å; T84-R96 WeakPolarHBondContact CG2-O 3.22Å; T84-R96 PolarHBondContact OG1-O 2.9Å; T84-R96 VanDerWaalsContact OG1-O 3.04Å; R96-V299 HydrophobicContact CB-CB 4.18Å; R96-V299 WeakPolarHBondContact CD-O 3.39Å; R96-E320 IonicContact CZ-OE1 3.66Å; R96-E320 IonicContact NH1-OE1 2.67Å; R96-E320 PolarHBondContact NH1-OE1 2.96Å; R96-E320 IonicContact NH1-OE2 3.96Å
97L94.2Very high90.5Very high7 Ų726 Ų264%0.03713%0.134CC..  trans-139.4152.5174.6-76.1173.3000109.2T84 L94 A119 I122 F147 L152 F156T84-L97 HydrophobicContact CG2-CG 4.11Å; L94-L97 HydrophobicContact CD2-CD2 3.81Å; L97-A119 HydrophobicContact CD2-CB 4.15Å; L97-I122 HydrophobicContact CD1-CG2 3.69Å; L97-I122 HydrophobicContact CD2-CB 4.36Å; L97-I122 HydrophobicContact CD2-CD1 4.1Å; L97-I122 HydrophobicContact CD2-CG2 4.21Å; L97-F147 HydrophobicContact CD1-CZ 4.01Å; L97-L152 HydrophobicContact CB-CD1 3.79Å; L97-F156 HydrophobicContact CD1-CE2 4.19Å; L97-F156 HydrophobicContact CD1-CZ 3.78Å
98P94.2Very high91Very high0 Ų021.2 Ų21.20%012%0.115CC..  trans-65.3145.2172.4110.7000110.1P100 L106 L108 A119 L123 L152 V299P98-P100 WeakPolarHBondContact O-CD 3.49Å; P98-L106 HydrophobicContact CB-CD2 3.7Å; P98-L108 HydrophobicContact CB-CD1 4.49Å; P98-L108 HydrophobicContact CB-CD2 3.6Å; P98-L108 HydrophobicContact CG-CD1 3.93Å; P98-L108 HydrophobicContact CG-CD2 3.82Å; P98-A119 HydrophobicContact CG-CB 4.03Å; P98-L123 HydrophobicContact CB-CD1 4.27Å; P98-L123 HydrophobicContact CG-CD1 3.84Å; P98-L152 WeakPolarHBondContact O-CD2 3.3Å; P98-V299 HydrophobicContact CB-CG1 4.25Å; P98-V299 HydrophobicContact CG-CG1 4.28Å
99I91.8Very high91.4Very high24 Ų2419 Ų1912%0.12310%0.1CC..  trans-103.897.6-176-54.5175.7000108.6E151 L152 M301I99-E151 HydrophobicContact CG2-CB 3.46Å; I99-E151 VanDerWaalsContact CG2-CB 3.46Å; I99-E151 HydrophobicContact CG2-CG 4.24Å; I99-E151 WeakPolarHBondContact CG2-OE2 3.25Å; I99-L152 HydrophobicContact CG1-CD1 4.37Å; I99-L152 HydrophobicContact CG1-CG 4.22Å; I99-M301 HydrophobicContact CD1-CE 4.2Å; I99-M301 HydrophobicContact CD1-SD 4.49Å
100P92.4Very high91.8Very high8 Ų817.9 Ų17.95%0.0529%0.091CC..  trans-75.6137.3179.633-36.1000110.8P98 L106 L123 Y155 Y268 I270P98-P100 WeakPolarHBondContact O-CD 3.49Å; P100-L106 HydrophobicContact CB-CD2 4.48Å; P100-L123 HydrophobicContact CG-CD2 4.46Å; P100-Y155 HydrophobicContact CB-CE2 4.45Å; P100-Y155 HydrophobicContact CG-CD1 4.3Å; P100-Y155 HydrophobicContact CG-CD2 3.65Å; P100-Y155 HydrophobicContact CG-CE1 4.24Å; P100-Y155 HydrophobicContact CG-CE2 3.59Å; P100-Y155 HydrophobicContact CG-CG 4.01Å; P100-Y268 HydrophobicContact CB-CD1 3.98Å; P100-Y268 HydrophobicContact CG-CD1 4.38Å; P100-I270 HydrophobicContact CB-CD1 4Å; P100-I270 HydrophobicContact CB-CG1 4.14Å; P100-I270 HydrophobicContact CG-CD1 4.49Å
101R92.2Very high92Very high81 Ų8118.3 Ų18.331%0.3069%0.094SC..  trans-115.7141.4174.9-68.7179.9176.5172.5-3.1109.9E104 E151R101-E104 WeakPolarHBondContact CD-OE2 3.36Å; R101-E151 IonicContact CZ-OE1 3.53Å; R101-E151 IonicContact CZ-OE2 3.82Å; R101-E151 IonicContact NE-OE1 2.74Å; R101-E151 PolarHBondContact NE-OE1 3.21Å; R101-E151 IonicContact NE-OE2 3.82Å; R101-E151 PolarHBondContact NE-OE2 3.32Å; R101-E151 IonicContact NH2-OE1 3.72Å; R101-E151 PolarHBondContact NH2-OE1 3.16Å; R101-E151 IonicContact NH2-OE2 3.96Å
102P91.9Very high92.1Very high54 Ų5420.3 Ų20.335%0.35110%0.103SC..BIsolated β-bridgetrans-76.4148.2179.736.2-36.1000110E104 P265 R267 Y268P102-E104 PolarHBondContact O-N 3.29Å; P102-P265 WeakPolarHBondContact CB-O 3.48Å; P102-R267 CarbonylContact C-O 3.54Å; P102-R267 VanDerWaalsContact CA-O 3.32Å; P102-R267 WeakPolarHBondContact CA-O 3.27Å; P102-Y268 HydrophobicContact CB-CD1 4.18Å; P102-Y268 HydrophobicContact CB-CE1 3.87Å; P102-Y268 HydrophobicContact CB-CE2 4.28Å; P102-Y268 HydrophobicContact CG-CE1 4.13Å
103G91.8Very high92Very high21 Ų2121.1 Ų21.122%0.21612%0.118CC..THydrogen-bonded Turntrans76.93.6-178.100000115.5I263 S264 R267G103-I263 VanDerWaalsContact O-CG2 3.22Å; G103-I263 WeakPolarHBondContact O-CG2 3.38Å; G103-S264 WeakPolarHBondContact CA-O 3.15Å; G103-S264 PolarHBondContact N-O 3.28Å; G103-R267 PolarHBondContact N-O 3.43Å
104E93.6Very high91.9Very high63 Ų6320.6 Ų20.629%0.29412%0.116SC..SBendtrans-133.2154-178.7-62.3178.9158.500110.6R101 P102 F285R101-E104 WeakPolarHBondContact CD-OE2 3.36Å; P102-E104 PolarHBondContact O-N 3.29Å; E104-F285 VanDerWaalsContact CD-CE2 3.43Å; E104-F285 WeakPolarHBondContact OE1-CE2 3.32Å; E104-F285 VanDerWaalsContact OE2-CD2 3.28Å; E104-F285 WeakPolarHBondContact OE2-CD2 3.39Å; E104-F285 WeakPolarHBondContact OE2-CE2 3.36Å
105V95.9Very high91.8Very high0 Ų021 Ų210%012%0.12CC..EExtended strand (participates in β ladder)trans-95.6116.4173.7-177.10000110I263 I269 V271 L282 D284 F285V105-I263 HydrophobicContact CG2-CD1 3.71Å; V105-I263 HydrophobicContact CG2-CG1 3.8Å; V105-I269 HydrophobicContact CG1-CG2 4.14Å; V105-I269 HydrophobicContact CG2-CB 4.23Å; V105-I269 HydrophobicContact CG2-CD1 4.33Å; V105-I269 HydrophobicContact CG2-CG2 4.12Å; V105-V271 HydrophobicContact CG1-CB 4.47Å; V105-V271 HydrophobicContact CG1-CG2 3.7Å; V105-L282 VanDerWaalsContact CB-O 3.32Å; V105-L282 WeakPolarHBondContact CB-O 3.17Å; V105-L282 WeakPolarHBondContact CG1-O 3.09Å; V105-D284 PolarHBondContact N-OD2 3.41Å; V105-D284 VanDerWaalsContact N-OD2 3.14Å; V105-D284 PolarHBondContact O-N 2.82Å; V105-F285 PolarHBondContact O-N 3.4Å
106L96.6Very high91.8Very high7 Ų721.3 Ų21.34%0.03712%0.121CC..EExtended strand (participates in β ladder)trans-89.5113.8172.5-177.766.5000110.7P98 P100 L108 I269 I270 V271 F285P98-L106 HydrophobicContact CB-CD2 3.7Å; P100-L106 HydrophobicContact CB-CD2 4.48Å; L106-L108 HydrophobicContact CD2-CD2 4.25Å; L106-L108 HydrophobicContact CG-CD2 4.25Å; L106-I269 PolarHBondContact N-O 3.37Å; L106-I270 WeakPolarHBondContact O-CA 3.38Å; L106-V271 PolarHBondContact O-N 3.42Å; L106-F285 HydrophobicContact CD1-CB 4.14Å
107G96.5Very high91.6Very high0 Ų020.3 Ų20.30%012%0.123CC..EExtended strand (participates in β ladder)trans-87.1137.1173.200000112.6V271 S283 F285 I286 C287G107-V271 CarbonylContact C-O 3.56Å; G107-V271 WeakPolarHBondContact CA-O 3.43Å; G107-S283 VanDerWaalsContact CA-OG 3.31Å; G107-S283 WeakPolarHBondContact CA-OG 3.22Å; G107-F285 PolarHBondContact N-O 3.19Å; G107-I286 CarbonylContact O-C 3.51Å; G107-I286 VanDerWaalsContact O-CA 3.28Å; G107-I286 WeakPolarHBondContact O-CA 3.42Å; G107-C287 PolarHBondContact O-N 3.11Å
108L95.3Very high91.5Very high0 Ų020.6 Ų20.60%012%0.124CC..EExtended strand (participates in β ladder)trans-117.1125.5173.8-56.5-176.3000109.8P98 L106 L120 I270 V271 V272 E273 C287 L289P98-L108 HydrophobicContact CB-CD1 4.49Å; P98-L108 HydrophobicContact CB-CD2 3.6Å; P98-L108 HydrophobicContact CG-CD1 3.93Å; P98-L108 HydrophobicContact CG-CD2 3.82Å; L106-L108 HydrophobicContact CD2-CD2 4.25Å; L106-L108 HydrophobicContact CG-CD2 4.25Å; L108-L120 HydrophobicContact CD1-CD2 4.25Å; L108-I270 HydrophobicContact CD1-CG2 3.8Å; L108-I270 HydrophobicContact CG-CG2 4.07Å; L108-V271 PolarHBondContact N-O 3.32Å; L108-V272 HydrophobicContact CB-CG2 3.94Å; L108-V272 HydrophobicContact CD1-CG2 3.83Å; L108-V272 HydrophobicContact CG-CG2 4.32Å; L108-E273 PolarHBondContact O-N 3.48Å; L108-C287 HydrophobicContact CD2-CB 3.71Å; L108-L289 HydrophobicContact CB-CD1 4.32Å; L108-L289 HydrophobicContact CD2-CD1 4.45Å
109V92.5Very high91.4Very high0 Ų020.6 Ų20.60%012%0.124CC..EExtended strand (participates in β ladder)trans-126.3142.6176.667.40000110.6L276 L279 I286 C287 C288 L289 F312V109-L276 HydrophobicContact CG2-CD2 3.77Å; V109-L279 HydrophobicContact CB-CD2 3.74Å; V109-L279 HydrophobicContact CG1-CD2 4.38Å; V109-L279 HydrophobicContact CG2-CD2 4.17Å; V109-I286 HydrophobicContact CG1-CG2 3.79Å; V109-C287 PolarHBondContact N-O 3.45Å; V109-C287 VanDerWaalsContact N-O 3.12Å; V109-C288 HydrophobicContact CG1-CB 4.23Å; V109-C288 VanDerWaalsContact CG1-SG 3.59Å; V109-C288 CarbonylContact O-C 3.6Å; V109-C288 WeakPolarHBondContact O-CA 3.19Å; V109-L289 PolarHBondContact O-N 3.22Å; V109-F312 HydrophobicContact CG1-CB 4.37Å; V109-F312 HydrophobicContact CG1-CD2 4.1Å; V109-F312 HydrophobicContact CG1-CG 4.15Å; V109-F312 HydrophobicContact CG2-CD1 4.12Å; V109-F312 HydrophobicContact CG2-CD2 4.28Å; V109-F312 HydrophobicContact CG2-CE1 4.05Å; V109-F312 HydrophobicContact CG2-CE2 4.22Å; V109-F312 HydrophobicContact CG2-CG 4.24Å; V109-F312 HydrophobicContact CG2-CZ 4.11Å
110G89.9Confident91.5Very high0 Ų019.7 Ų19.70%012%0.12CC..EExtended strand (participates in β ladder)trans170.8165.4177.800000111.9K116 H274 L289G110-K116 PolarHBondContact O-NZ 2.9Å; G110-H274 PolarHBondContact O-CE1 2.82Å; G110-H274 VanDerWaalsContact O-CE1 3.32Å; G110-L289 WeakPolarHBondContact CA-O 3.46Å
111T87Confident91.5Very high16 Ų1624 Ų2410%0.09814%0.138CC..  trans-65.6164.2177.653.70000112I114 K116 E495T111-I114 WeakPolarHBondContact O-CG2 3.47Å; T111-K116 PolarHBondContact O-NZ 3.48Å; T111-E495 HydrophobicContact CG2-CB 4.27Å; T111-E495 WeakPolarHBondContact CG2-OE2 3.43Å
112N86.2Confident91.5Very high55 Ų5520.1 Ų20.129%0.29412%0.123SC..THydrogen-bonded Turntrans-68.6144.1175.5-73.8-18.4000111.7I114 K116 H274 P293 D493N112-I114 VanDerWaalsContact C-N 3.3Å; N112-I114 PolarHBondContact O-N 2.68Å; N112-K116 PolarHBondContact OD1-NZ 2.78Å; N112-H274 PolarHBondContact OD1-CE1 2.99Å; N112-H274 PolarHBondContact OD1-NE2 3.49Å; N112-P293 WeakPolarHBondContact O-CB 3.24Å; N112-D493 PolarHBondContact N-OD2 2.89Å
113G83.9Confident91.5Very high40 Ų4017.6 Ų17.641%0.41211%0.107SC..THydrogen-bonded Turntrans76.211.4-178.800000115.2F92 S294F92-G113 WeakPolarHBondContact CE2-O 3.35Å; G113-S294 PolarHBondContact O-N 3.09Å
114I89.1Confident91.5Very high1 Ų117.3 Ų17.31%0.00510%0.102CC..SBendtrans-90.31.1179.3-151.567000114.4F92 T111 N112 K116 L289 G291 Y296 G297F92-I114 VanDerWaalsContact CZ-C 3.46Å; F92-I114 VanDerWaalsContact CZ-O 3.3Å; F92-I114 WeakPolarHBondContact CZ-O 3.32Å; T111-I114 WeakPolarHBondContact O-CG2 3.47Å; N112-I114 VanDerWaalsContact C-N 3.3Å; N112-I114 PolarHBondContact O-N 2.68Å; I114-K116 HydrophobicContact CG2-CD 4.32Å; I114-K116 HydrophobicContact CG2-CG 3.94Å; I114-L289 HydrophobicContact CG1-CB 4.24Å; I114-L289 HydrophobicContact CG2-CB 3.55Å; I114-L289 HydrophobicContact CG2-CD2 4.04Å; I114-L289 HydrophobicContact CG2-CG 4.44Å; I114-G291 VanDerWaalsContact CD1-C 3.43Å; I114-Y296 WeakPolarHBondContact CD1-O 3.37Å; I114-G297 WeakPolarHBondContact O-CA 3.46Å
115G89.1Confident91.2Very high7 Ų716 Ų167%0.07211%0.106CC..SBendtrans97.21217400000116.8S117 T118 A119G115-S117 PolarHBondContact O-N 3.24Å; G115-T118 WeakPolarHBondContact O-CA 3.47Å; G115-T118 WeakPolarHBondContact O-CB 3.37Å; G115-T118 PolarHBondContact O-N 2.85Å; G115-T118 VanDerWaalsContact O-N 3.08Å; G115-A119 PolarHBondContact O-N 2.99Å
116K91.1Very high90.9Very high8 Ų823.1 Ų23.14%0.03514%0.137CC..Hα-helixtrans-51.8-53.4174.7-62.1171.9-52.2-156.70112.3G110 T111 N112 I114 T118 A119 L120 V272 H274 L289G110-K116 PolarHBondContact O-NZ 2.9Å; T111-K116 PolarHBondContact O-NZ 3.48Å; N112-K116 PolarHBondContact OD1-NZ 2.78Å; I114-K116 HydrophobicContact CG2-CD 4.32Å; I114-K116 HydrophobicContact CG2-CG 3.94Å; K116-T118 VanDerWaalsContact C-N 3.27Å; K116-T118 PolarHBondContact O-N 3.36Å; K116-A119 WeakPolarHBondContact O-CB 3.5Å; K116-A119 PolarHBondContact O-N 2.99Å; K116-A119 VanDerWaalsContact O-N 3.14Å; K116-L120 PolarHBondContact O-N 2.94Å; K116-V272 HydrophobicContact CB-CG1 4.23Å; K116-V272 HydrophobicContact CB-CG2 4.42Å; K116-V272 HydrophobicContact CD-CG1 3.92Å; K116-H274 PolarHBondContact NZ-CE1 3.49Å; K116-H274 PolarHBondContact NZ-NE2 3.43Å; K116-L289 HydrophobicContact CG-CD1 4.22Å; K116-L289 HydrophobicContact CG-CD2 3.79Å; K116-L289 HydrophobicContact CG-CG 4.44Å
117S88.7Confident90.5Very high35 Ų3524.8 Ų24.825%0.24515%0.145CC..Hα-helixtrans-67.2-27.8178.7-43.30000112.7G115 K121 D241G115-S117 PolarHBondContact O-N 3.24Å; S117-K121 VanDerWaalsContact O-CG 3.32Å; S117-K121 WeakPolarHBondContact O-CG 3.43Å; S117-K121 PolarHBondContact O-N 3.36Å; S117-D241 PolarHBondContact OG-OD2 3.25Å
118T91.3Very high90.3Very high12 Ų1227.8 Ų27.87%0.07416%0.158CC..Hα-helixtrans-67.9-44171.9-54.80000110.4Y87 L94 G115 K116 L120 K121 I122Y87-T118 HydrophobicContact CE2-CG2 4.18Å; Y87-T118 WeakPolarHBondContact OH-CG2 3.49Å; Y87-T118 PolarHBondContact OH-OG1 3.09Å; L94-T118 HydrophobicContact CD2-CG2 4.19Å; G115-T118 WeakPolarHBondContact O-CA 3.47Å; G115-T118 WeakPolarHBondContact O-CB 3.37Å; G115-T118 PolarHBondContact O-N 2.85Å; G115-T118 VanDerWaalsContact O-N 3.08Å; K116-T118 VanDerWaalsContact C-N 3.27Å; K116-T118 PolarHBondContact O-N 3.36Å; T118-L120 PolarHBondContact O-N 3.07Å; T118-K121 PolarHBondContact O-N 3.42Å; T118-I122 HydrophobicContact CG2-CD1 4.09Å; T118-I122 WeakPolarHBondContact O-CG1 3.48Å; T118-I122 PolarHBondContact O-N 2.93Å; T118-I122 VanDerWaalsContact O-N 3.07Å
119A93.6Very high90.2Very high0 Ų027.9 Ų27.90%016%0.158CC..Hα-helixtrans-60.6-43.7175.200000111.5L94 L97 P98 G115 K116 K121 I122 L123L94-A119 HydrophobicContact CD2-CB 4.16Å; L97-A119 HydrophobicContact CD2-CB 4.15Å; P98-A119 HydrophobicContact CG-CB 4.03Å; G115-A119 PolarHBondContact O-N 2.99Å; K116-A119 WeakPolarHBondContact O-CB 3.5Å; K116-A119 PolarHBondContact O-N 2.99Å; K116-A119 VanDerWaalsContact O-N 3.14Å; A119-K121 PolarHBondContact O-N 3.4Å; A119-I122 PolarHBondContact O-N 3.02Å; A119-L123 WeakPolarHBondContact O-CG 3.29Å; A119-L123 PolarHBondContact O-N 3.31Å
120L93.1Very high90.2Very high5 Ų528.4 Ų28.43%0.02616%0.161CC..Hα-helixtrans-60.4-44.4174.7-71.5-175.5000112.5L108 K116 T118 I122 L123 A124 M239 D241 I270 V272L108-L120 HydrophobicContact CD1-CD2 4.25Å; K116-L120 PolarHBondContact O-N 2.94Å; T118-L120 PolarHBondContact O-N 3.07Å; L120-I122 VanDerWaalsContact C-N 3.27Å; L120-I122 PolarHBondContact O-N 3.32Å; L120-L123 PolarHBondContact O-N 2.87Å; L120-A124 WeakPolarHBondContact O-CB 3.47Å; L120-A124 PolarHBondContact O-N 3.23Å; L120-M239 HydrophobicContact CB-SD 4.28Å; L120-M239 HydrophobicContact CD2-CB 4.37Å; L120-M239 HydrophobicContact CD2-CG 4.41Å; L120-M239 HydrophobicContact CD2-SD 3.89Å; L120-D241 HydrophobicContact CD1-CB 3.91Å; L120-I270 HydrophobicContact CD2-CB 4.31Å; L120-I270 HydrophobicContact CD2-CG2 3.64Å; L120-V272 HydrophobicContact CD1-CG2 3.58Å; L120-V272 HydrophobicContact CD2-CG2 4.2Å; L120-V272 HydrophobicContact CG-CG2 3.97Å
121K91.4Very high90.2Very high99 Ų9929.6 Ų29.643%0.4317%0.167SC..Hα-helixtrans-61.4-36.4177.5-74.9173.5-176.2179.70112.6S117 T118 A119 K126 Q127S117-K121 VanDerWaalsContact O-CG 3.32Å; S117-K121 WeakPolarHBondContact O-CG 3.43Å; S117-K121 PolarHBondContact O-N 3.36Å; T118-K121 PolarHBondContact O-N 3.42Å; A119-K121 PolarHBondContact O-N 3.4Å; K121-K126 PolarHBondContact O-N 3.41Å; K121-K126 VanDerWaalsContact O-N 3.1Å; K121-Q127 HydrophobicContact CB-CB 4.08Å; K121-Q127 PolarHBondContact O-N 3.19Å; K121-Q127 VanDerWaalsContact O-N 3.15Å
122I92.9Very high90.1Very high0 Ų029.9 Ų29.90%017%0.173CC..Hα-helixtrans-69.8-49176.7-67.1165.4000110.7H85 L94 L97 T118 A119 L120 A124 G125 Q127 P129 F156H85-I122 HydrophobicContact CB-CD1 3.79Å; L94-I122 HydrophobicContact CD2-CD1 4.14Å; L97-I122 HydrophobicContact CD1-CG2 3.69Å; L97-I122 HydrophobicContact CD2-CB 4.36Å; L97-I122 HydrophobicContact CD2-CD1 4.1Å; L97-I122 HydrophobicContact CD2-CG2 4.21Å; T118-I122 HydrophobicContact CG2-CD1 4.09Å; T118-I122 WeakPolarHBondContact O-CG1 3.48Å; T118-I122 PolarHBondContact O-N 2.93Å; T118-I122 VanDerWaalsContact O-N 3.07Å; A119-I122 PolarHBondContact O-N 3.02Å; L120-I122 VanDerWaalsContact C-N 3.27Å; L120-I122 PolarHBondContact O-N 3.32Å; I122-A124 PolarHBondContact O-N 3.1Å; I122-G125 PolarHBondContact O-N 3.47Å; I122-Q127 WeakPolarHBondContact CA-O 3.28Å; I122-P129 HydrophobicContact CG2-CB 4.24Å; I122-P129 HydrophobicContact CG2-CG 4.23Å; I122-F156 HydrophobicContact CG2-CE1 4.29Å; I122-F156 HydrophobicContact CG2-CZ 4.07Å
123L92.8Very high90.2Very high0 Ų032 Ų320%018%0.18CC..Hα-helixtrans-65.6-26.4178.8-68177.1000112.6P98 P100 A119 L120 G125 L152 Y155 I159 M239 I270P98-L123 HydrophobicContact CB-CD1 4.27Å; P98-L123 HydrophobicContact CG-CD1 3.84Å; P100-L123 HydrophobicContact CG-CD2 4.46Å; A119-L123 WeakPolarHBondContact O-CG 3.29Å; A119-L123 PolarHBondContact O-N 3.31Å; L120-L123 PolarHBondContact O-N 2.87Å; L123-G125 VanDerWaalsContact C-N 3.26Å; L123-G125 PolarHBondContact O-N 2.86Å; L123-L152 HydrophobicContact CD2-CD2 4.17Å; L123-Y155 HydrophobicContact CB-CE1 4.27Å; L123-Y155 HydrophobicContact CD2-CD1 4.12Å; L123-Y155 HydrophobicContact CD2-CE1 3.66Å; L123-Y155 PolarHBondContact O-OH 2.86Å; L123-I159 WeakPolarHBondContact O-CD1 3.45Å; L123-M239 VanDerWaalsContact C-CE 3.43Å; L123-M239 HydrophobicContact CB-CE 3.74Å; L123-I270 HydrophobicContact CB-CD1 4.34Å; L123-I270 HydrophobicContact CD1-CD1 3.69Å
124A90.8Very high90.2Very high15 Ų1533.5 Ų33.512%0.12417%0.174CC..THydrogen-bonded Turntrans-81.50.2175.800000113.5L120 I122 K126 A166 V168 M239L120-A124 WeakPolarHBondContact O-CB 3.47Å; L120-A124 PolarHBondContact O-N 3.23Å; I122-A124 PolarHBondContact O-N 3.1Å; A124-K126 HydrophobicContact CB-CG 4.26Å; A124-K126 PolarHBondContact O-N 3.42Å; A124-K126 VanDerWaalsContact O-N 3.09Å; A124-A166 HydrophobicContact CB-CB 4.25Å; A124-V168 HydrophobicContact CB-CG2 3.95Å; A124-M239 HydrophobicContact CB-CE 3.8Å; A124-M239 HydrophobicContact CB-SD 3.83Å
125G87.8Confident89.9Confident36 Ų3640 Ų4037%0.37121%0.209SC..THydrogen-bonded Turntrans70.2-0-176.300000115I122 L123 Q127I122-G125 PolarHBondContact O-N 3.47Å; L123-G125 VanDerWaalsContact C-N 3.26Å; L123-G125 PolarHBondContact O-N 2.86Å; G125-Q127 VanDerWaalsContact C-N 3.28Å; G125-Q127 PolarHBondContact O-N 2.82Å
126K88.5Confident89.8Confident150 Ų15043.1 Ų43.165%0.65223%0.233SC*.SBendtrans-70.9-23.9179-67.6-174.8178.6178.30113K121 A124K121-K126 PolarHBondContact O-N 3.41Å; K121-K126 VanDerWaalsContact O-N 3.1Å; A124-K126 HydrophobicContact CB-CG 4.26Å; A124-K126 PolarHBondContact O-N 3.42Å; A124-K126 VanDerWaalsContact O-N 3.09Å
127Q89.9Confident89.5Confident42 Ų4246.6 Ų46.620%0.19626%0.257CS..SBendtrans-138.2122.7179.8-175170.9-1.400110.1H85 K121 I122 G125H85-Q127 PolarHBondContact CE1-NE2 3.26Å; H85-Q127 PolarHBondContact NE2-NE2 3.46Å; K121-Q127 HydrophobicContact CB-CB 4.08Å; K121-Q127 PolarHBondContact O-N 3.19Å; K121-Q127 VanDerWaalsContact O-N 3.15Å; I122-Q127 WeakPolarHBondContact CA-O 3.28Å; G125-Q127 VanDerWaalsContact C-N 3.28Å; G125-Q127 PolarHBondContact O-N 2.82Å
128K91Very high89.6Confident63 Ų6345.2 Ų45.227%0.27425%0.247SC..  trans-73.7134.8177-167.4-176.3-168.8-175.90110.6P138 D139 W140 I143K128-P138 WeakPolarHBondContact CE-O 3.29Å; K128-P138 PolarHBondContact NZ-O 3.2Å; K128-D139 VanDerWaalsContact NZ-CA 3.33Å; K128-D139 IonicContact NZ-OD1 3.15Å; K128-W140 HydrophobicContact CB-CZ2 4.43Å; K128-W140 HydrophobicContact CG-CD2 4.43Å; K128-W140 HydrophobicContact CG-CH2 4.41Å; K128-W140 HydrophobicContact CG-CZ2 3.98Å; K128-I143 HydrophobicContact CD-CD1 3.94Å; K128-I143 HydrophobicContact CG-CD1 3.52Å
129P92.9Very high89.5Confident1 Ų150 Ų501%0.00627%0.272CS..  trans-66.5140.6171.528.3-31000109T84 I122 I143T84-P129 WeakPolarHBondContact O-CB 2.99Å; I122-P129 HydrophobicContact CG2-CB 4.24Å; I122-P129 HydrophobicContact CG2-CG 4.23Å; P129-I143 HydrophobicContact CG-CD1 3.96Å; P129-I143 HydrophobicContact CG-CG1 4.31Å; P129-I143 HydrophobicContact CG-CG2 3.71Å; P129-I143 VanDerWaalsContact O-CD1 3.27Å; P129-I143 WeakPolarHBondContact O-CD1 3.21Å
130N92.9Very high89.3Confident12 Ų1253 Ų536%0.06428%0.283CS..  trans-111.64.3-176.669.5-1.7000113.6T84 H85 R86 G132 K133 P137 P138T84-N130 PolarHBondContact O-N 3.15Å; H85-N130 VanDerWaalsContact CA-OD1 3.3Å; H85-N130 WeakPolarHBondContact CA-OD1 3.33Å; H85-N130 PolarHBondContact ND1-OD1 3.36Å; R86-N130 PolarHBondContact N-OD1 3.06Å; R86-N130 PolarHBondContact O-ND2 3.45Å; N130-G132 PolarHBondContact O-N 2.96Å; N130-G132 PolarHBondContact OD1-N 2.69Å; N130-K133 WeakPolarHBondContact CB-O 3.37Å; N130-K133 WeakPolarHBondContact O-CA 3.46Å; N130-K133 WeakPolarHBondContact O-CB 3.46Å; N130-K133 PolarHBondContact O-N 2.94Å; N130-P137 HydrophobicContact CB-CB 4.09Å; N130-P138 WeakPolarHBondContact O-CD 3.24Å
131L90.3Very high89.2Confident25 Ų2560.4 Ų60.413%0.13132%0.318CS..THydrogen-bonded Turntrans53.728.7177-49.8-178.6000113.4T83 T84 K133 P138 I143 Y146 F147T83-L131 WeakPolarHBondContact O-CA 3.38Å; T84-L131 WeakPolarHBondContact O-CA 3.3Å; T84-L131 PolarHBondContact O-N 3.44Å; L131-K133 VanDerWaalsContact C-N 3.31Å; L131-K133 PolarHBondContact O-N 2.71Å; L131-P138 HydrophobicContact CB-CG 4.43Å; L131-P138 HydrophobicContact CD1-CG 4.1Å; L131-P138 HydrophobicContact CG-CG 4.07Å; L131-I143 HydrophobicContact CD1-CG1 4.34Å; L131-I143 HydrophobicContact CG-CG1 4.48Å; L131-Y146 HydrophobicContact CD1-CD1 4.4Å; L131-Y146 HydrophobicContact CD1-CD2 4.05Å; L131-Y146 HydrophobicContact CD1-CG 3.8Å; L131-Y146 HydrophobicContact CD2-CD1 3.58Å; L131-Y146 HydrophobicContact CD2-CD2 4.32Å; L131-Y146 HydrophobicContact CD2-CE1 3.84Å; L131-Y146 HydrophobicContact CD2-CG 3.84Å; L131-Y146 HydrophobicContact CG-CG 4.45Å; L131-F147 HydrophobicContact CD2-CE2 4.43Å
132G85.6Confident89.1Confident22 Ų2259.6 Ų59.623%0.22732%0.316CS..THydrogen-bonded Turntrans84.3-7.8-17600000115.5N130 Y134N130-G132 PolarHBondContact O-N 2.96Å; N130-G132 PolarHBondContact OD1-N 2.69Å; G132-Y134 WeakPolarHBondContact O-CD1 3.31Å; G132-Y134 PolarHBondContact O-N 3.4Å
133K87.1Confident89Confident100 Ų10059.6 Ų59.644%0.43532%0.316SS..  trans-8885.3175.4-58.6176.9-179176.70110.2N130 L131 A136 P137 E142N130-K133 WeakPolarHBondContact CB-O 3.37Å; N130-K133 WeakPolarHBondContact O-CA 3.46Å; N130-K133 WeakPolarHBondContact O-CB 3.46Å; N130-K133 PolarHBondContact O-N 2.94Å; L131-K133 VanDerWaalsContact C-N 3.31Å; L131-K133 PolarHBondContact O-N 2.71Å; K133-A136 WeakPolarHBondContact CB-O 3.06Å; K133-P137 WeakPolarHBondContact O-CA 3.29Å; K133-E142 IonicContact NZ-OE1 3.49Å; K133-E142 PolarHBondContact NZ-OE1 3.15Å; K133-E142 IonicContact NZ-OE2 3.02Å
134Y84.1Confident88.9Confident71 Ų7161.2 Ų61.228%0.27832%0.324SS..SBendtrans-80.3-28.4-177.353.1-88000114.1R86 A89 G132R86-Y134 HydrophobicContact CG-CD1 4.14Å; A89-Y134 HydrophobicContact CB-CE2 4.2Å; A89-Y134 WeakPolarHBondContact CB-OH 3.38Å; G132-Y134 WeakPolarHBondContact O-CD1 3.31Å; G132-Y134 PolarHBondContact O-N 3.4Å
135D83.2Confident88.9Confident138 Ų13864.9 Ų64.974%0.73835%0.345SS*.SBendtrans-78.2-33.9179.6-62.1-44.2000112.9
136A86.8Confident89Confident72 Ų7267.2 Ų67.260%0.59534%0.344SS*.SBendtrans-134.482.2178.900000108.9K133K133-A136 WeakPolarHBondContact CB-O 3.06Å
137P85.5Confident89.1Confident81 Ų8160.9 Ų60.953%0.52632%0.316SS..PPolyproline II helixtrans-64.7134.1-176.924.8-32.5000110.8N130 K133N130-P137 HydrophobicContact CB-CB 4.09Å; K133-P137 WeakPolarHBondContact O-CA 3.29Å
138P89.4Confident89.1Confident6 Ų668.3 Ų68.34%0.03934%0.342CS..PPolyproline II helixtrans-66.6160.9-176.328.7-37.6000113K128 N130 L131 E142 I143K128-P138 WeakPolarHBondContact CE-O 3.29Å; K128-P138 PolarHBondContact NZ-O 3.2Å; N130-P138 WeakPolarHBondContact O-CD 3.24Å; L131-P138 HydrophobicContact CB-CG 4.43Å; L131-P138 HydrophobicContact CD1-CG 4.1Å; L131-P138 HydrophobicContact CG-CG 4.07Å; P138-E142 HydrophobicContact CB-CB 4.01Å; P138-E142 HydrophobicContact CB-CG 4.04Å; P138-E142 WeakPolarHBondContact CB-OE2 3.19Å; P138-I143 HydrophobicContact CG-CD1 4.4Å; P138-I143 HydrophobicContact CG-CG1 4.04Å
139D90.7Very high88.9Confident113 Ų11369 Ų6960%0.60437%0.368SS*.PPolyproline II helixtrans-77.2161.7172-78.8-35.1000113.6K128 Q141 E142 I143K128-D139 VanDerWaalsContact NZ-CA 3.33Å; K128-D139 IonicContact NZ-OD1 3.15Å; D139-Q141 PolarHBondContact O-N 3.44Å; D139-E142 PolarHBondContact O-N 3.43Å; D139-I143 WeakPolarHBondContact O-CG1 3.35Å; D139-I143 PolarHBondContact O-N 3.05Å
140W88.9Confident88.7Confident61 Ų6171 Ų7123%0.23138%0.381CS..Hα-helixtrans-59.5-31.8-179.8-81.7115.7000112.4K128 E142 I143 L144 F156 L160K128-W140 HydrophobicContact CB-CZ2 4.43Å; K128-W140 HydrophobicContact CG-CD2 4.43Å; K128-W140 HydrophobicContact CG-CH2 4.41Å; K128-W140 HydrophobicContact CG-CZ2 3.98Å; W140-E142 PolarHBondContact O-N 2.96Å; W140-I143 HydrophobicContact CD2-CD1 4.31Å; W140-I143 HydrophobicContact CE3-CB 4.28Å; W140-I143 HydrophobicContact CE3-CD1 4.02Å; W140-I143 HydrophobicContact CE3-CG2 4.11Å; W140-I143 HydrophobicContact CZ3-CD1 4.47Å; W140-I143 HydrophobicContact CZ3-CG2 4.19Å; W140-I143 PolarHBondContact O-N 3.34Å; W140-L144 WeakPolarHBondContact O-CB 3.35Å; W140-L144 VanDerWaalsContact O-CG 3.26Å; W140-L144 WeakPolarHBondContact O-CG 3.25Å; W140-L144 PolarHBondContact O-N 3.45Å; W140-F156 HydrophobicContact CH2-CD1 4.11Å; W140-F156 HydrophobicContact CH2-CE1 4.4Å; W140-F156 HydrophobicContact CZ3-CB 4.37Å; W140-F156 AromaticContact CZ3-CD1 3.74Å; W140-F156 HydrophobicContact CZ3-CD1 3.74Å; W140-F156 HydrophobicContact CZ3-CE1 4.24Å; W140-F156 HydrophobicContact CZ3-CG 4.12Å; W140-L160 HydrophobicContact CB-CD1 3.84Å; W140-L160 HydrophobicContact CD2-CD1 3.85Å; W140-L160 HydrophobicContact CD2-CD2 3.93Å; W140-L160 HydrophobicContact CD2-CG 4.38Å; W140-L160 HydrophobicContact CE3-CD1 3.92Å; W140-L160 HydrophobicContact CG-CD1 3.85Å; W140-L160 HydrophobicContact CG-CD2 3.94Å; W140-L160 HydrophobicContact CZ2-CD2 4.42Å
141Q89.8Confident88.5Confident161 Ų16174.4 Ų74.475%0.75240%0.397SS*.Hα-helixtrans-61.6-42.7174.3-65.8176.9-6.600112.3D139 L144 T145D139-Q141 PolarHBondContact O-N 3.44Å; Q141-L144 PolarHBondContact O-N 3.46Å; Q141-T145 WeakPolarHBondContact O-CB 3.32Å; Q141-T145 PolarHBondContact O-N 2.92Å; Q141-T145 PolarHBondContact O-OG1 2.93Å
142E89.9Confident88.5Confident82 Ų8273.6 Ų73.638%0.38339%0.392SS..Hα-helixtrans-69.2-38.2177.3-174.4180171.700110.9K133 P138 D139 W140 T145 Y146K133-E142 IonicContact NZ-OE1 3.49Å; K133-E142 PolarHBondContact NZ-OE1 3.15Å; K133-E142 IonicContact NZ-OE2 3.02Å; P138-E142 HydrophobicContact CB-CB 4.01Å; P138-E142 HydrophobicContact CB-CG 4.04Å; P138-E142 WeakPolarHBondContact CB-OE2 3.19Å; D139-E142 PolarHBondContact O-N 3.43Å; W140-E142 PolarHBondContact O-N 2.96Å; E142-T145 PolarHBondContact O-N 2.86Å; E142-Y146 WeakPolarHBondContact O-CB 3.29Å; E142-Y146 PolarHBondContact O-N 2.69Å
143I90.8Very high88.8Confident0 Ų075 Ų750%039%0.393CS..Hα-helixtrans-63.3-46174.8-64.8162.3000111.3K128 P129 L131 P138 D139 W140 T145 Y146 F147K128-I143 HydrophobicContact CD-CD1 3.94Å; K128-I143 HydrophobicContact CG-CD1 3.52Å; P129-I143 HydrophobicContact CG-CD1 3.96Å; P129-I143 HydrophobicContact CG-CG1 4.31Å; P129-I143 HydrophobicContact CG-CG2 3.71Å; P129-I143 VanDerWaalsContact O-CD1 3.27Å; P129-I143 WeakPolarHBondContact O-CD1 3.21Å; L131-I143 HydrophobicContact CD1-CG1 4.34Å; L131-I143 HydrophobicContact CG-CG1 4.48Å; P138-I143 HydrophobicContact CG-CD1 4.4Å; P138-I143 HydrophobicContact CG-CG1 4.04Å; D139-I143 WeakPolarHBondContact O-CG1 3.35Å; D139-I143 PolarHBondContact O-N 3.05Å; W140-I143 HydrophobicContact CD2-CD1 4.31Å; W140-I143 HydrophobicContact CE3-CB 4.28Å; W140-I143 HydrophobicContact CE3-CD1 4.02Å; W140-I143 HydrophobicContact CE3-CG2 4.11Å; W140-I143 HydrophobicContact CZ3-CD1 4.47Å; W140-I143 HydrophobicContact CZ3-CG2 4.19Å; W140-I143 PolarHBondContact O-N 3.34Å; I143-T145 VanDerWaalsContact C-N 3.28Å; I143-T145 PolarHBondContact O-N 3.49Å; I143-Y146 WeakPolarHBondContact O-CB 3.34Å; I143-Y146 PolarHBondContact O-N 3.23Å; I143-F147 HydrophobicContact CG2-CD2 3.85Å; I143-F147 HydrophobicContact CG2-CE2 3.89Å; I143-F147 VanDerWaalsContact O-CD2 3.27Å; I143-F147 WeakPolarHBondContact O-CD2 3.48Å; I143-F147 PolarHBondContact O-N 3.47Å
144L90.8Very high88.9Confident34 Ų3475.2 Ų75.218%0.17840%0.399CS..Hα-helixtrans-64.2-36.2176.9-70.7173000111.6W140 Q141 Y146 F147 R148 Q153 F156 L160W140-L144 WeakPolarHBondContact O-CB 3.35Å; W140-L144 VanDerWaalsContact O-CG 3.26Å; W140-L144 WeakPolarHBondContact O-CG 3.25Å; W140-L144 PolarHBondContact O-N 3.45Å; Q141-L144 PolarHBondContact O-N 3.46Å; L144-Y146 VanDerWaalsContact C-N 3.34Å; L144-F147 PolarHBondContact O-N 3.41Å; L144-R148 PolarHBondContact O-N 3.38Å; L144-R148 VanDerWaalsContact O-N 3.17Å; L144-Q153 HydrophobicContact CD2-CG 4.37Å; L144-F156 HydrophobicContact CD2-CB 3.67Å; L144-L160 HydrophobicContact CD1-CD1 4.14Å
145T91.5Very high89.3Confident93 Ų9372.1 Ų72.157%0.57139%0.387SS*.Hα-helixtrans-65.8-38.8174.1-56.70000111.3Q141 E142 I143 R148Q141-T145 WeakPolarHBondContact O-CB 3.32Å; Q141-T145 PolarHBondContact O-N 2.92Å; Q141-T145 PolarHBondContact O-OG1 2.93Å; E142-T145 PolarHBondContact O-N 2.86Å; I143-T145 VanDerWaalsContact C-N 3.28Å; I143-T145 PolarHBondContact O-N 3.49Å; T145-R148 WeakPolarHBondContact O-CB 3.43Å; T145-R148 PolarHBondContact O-N 2.95Å
146Y89.9Confident89.7Confident85 Ų8565.5 Ų65.533%0.33335%0.352SS..Hα-helixtrans-63.7-42.1176.3178.1-92.7000112.2K81 E82 L131 E142 I143 L144 R148K81-Y146 PolarHBondContact O-OH 3.38Å; E82-Y146 WeakPolarHBondContact CA-OH 3.41Å; L131-Y146 HydrophobicContact CD1-CD1 4.4Å; L131-Y146 HydrophobicContact CD1-CD2 4.05Å; L131-Y146 HydrophobicContact CD1-CG 3.8Å; L131-Y146 HydrophobicContact CD2-CD1 3.58Å; L131-Y146 HydrophobicContact CD2-CD2 4.32Å; L131-Y146 HydrophobicContact CD2-CE1 3.84Å; L131-Y146 HydrophobicContact CD2-CG 3.84Å; L131-Y146 HydrophobicContact CG-CG 4.45Å; E142-Y146 WeakPolarHBondContact O-CB 3.29Å; E142-Y146 PolarHBondContact O-N 2.69Å; I143-Y146 WeakPolarHBondContact O-CB 3.34Å; I143-Y146 PolarHBondContact O-N 3.23Å; L144-Y146 VanDerWaalsContact C-N 3.34Å; Y146-R148 PolarHBondContact O-N 3.45Å
147F90.1Very high89.8Confident17 Ų1763.6 Ų63.68%0.07533%0.332CS..THydrogen-bonded Turntrans-8510.6177.5-70.5-68.1000113.8T84 L97 L131 I143 L144 G149 S150 L152 Q153 F156T84-F147 HydrophobicContact CG2-CE1 4.28Å; T84-F147 HydrophobicContact CG2-CZ 3.9Å; L97-F147 HydrophobicContact CD1-CZ 4.01Å; L131-F147 HydrophobicContact CD2-CE2 4.43Å; I143-F147 HydrophobicContact CG2-CD2 3.85Å; I143-F147 HydrophobicContact CG2-CE2 3.89Å; I143-F147 VanDerWaalsContact O-CD2 3.27Å; I143-F147 WeakPolarHBondContact O-CD2 3.48Å; I143-F147 PolarHBondContact O-N 3.47Å; L144-F147 PolarHBondContact O-N 3.41Å; F147-G149 PolarHBondContact O-N 2.81Å; F147-S150 WeakPolarHBondContact O-CB 3.32Å; F147-S150 PolarHBondContact O-N 3.05Å; F147-S150 PolarHBondContact O-OG 2.98Å; F147-L152 HydrophobicContact CB-CB 4.5Å; F147-L152 HydrophobicContact CD1-CB 4.16Å; F147-L152 HydrophobicContact CD1-CD1 4Å; F147-L152 HydrophobicContact CE1-CD1 3.89Å; F147-L152 HydrophobicContact CG-CB 4.36Å; F147-Q153 HydrophobicContact CB-CB 4.48Å; F147-Q153 WeakPolarHBondContact O-CB 3.41Å; F147-F156 HydrophobicContact CD2-CD2 4.04Å; F147-F156 AromaticContact CD2-CE2 3.84Å; F147-F156 HydrophobicContact CD2-CE2 3.84Å; F147-F156 HydrophobicContact CE2-CD2 4.41Å; F147-F156 AromaticContact CE2-CE2 3.78Å; F147-F156 HydrophobicContact CE2-CE2 3.78Å; F147-F156 HydrophobicContact CG-CE2 4.46Å; F147-F156 HydrophobicContact CZ-CE2 4.35Å
148R90.6Very high90Very high198 Ų19863.6 Ų63.675%0.74732%0.324SS*.THydrogen-bonded Turntrans-58130.3-172.4-171.8177.1-175.1175.22.4112.2L144 T145 Y146 S150 Q153L144-R148 PolarHBondContact O-N 3.38Å; L144-R148 VanDerWaalsContact O-N 3.17Å; T145-R148 WeakPolarHBondContact O-CB 3.43Å; T145-R148 PolarHBondContact O-N 2.95Å; Y146-R148 PolarHBondContact O-N 3.45Å; R148-S150 VanDerWaalsContact C-N 3.32Å; R148-Q153 VanDerWaalsContact CA-OE1 3.27Å
149G86.2Confident89.9Confident78 Ų7864.4 Ų64.480%0.80433%0.328SS*.THydrogen-bonded Turntrans81.56.4-178.900000114.7F147F147-G149 PolarHBondContact O-N 2.81Å
150S88.8Confident89.7Confident41 Ų4162.7 Ų62.729%0.28732%0.318SS..SBendtrans-104.1157.5171.574.40000111.8F147 R148 L152 Q153F147-S150 WeakPolarHBondContact O-CB 3.32Å; F147-S150 PolarHBondContact O-N 3.05Å; F147-S150 PolarHBondContact O-OG 2.98Å; R148-S150 VanDerWaalsContact C-N 3.32Å; S150-L152 PolarHBondContact O-N 3.44Å; S150-L152 PolarHBondContact OG-N 2.92Å; S150-Q153 WeakPolarHBondContact O-CB 3.04Å; S150-Q153 PolarHBondContact O-N 3.23Å; S150-Q153 VanDerWaalsContact O-N 3.07Å
151E88.2Confident89.5Confident84 Ų8467 Ų6739%0.39334%0.341SS..Hα-helixtrans-58-27.8173.1-72.2180-152.800112.3I99 R101 Q153 N154 Y155I99-E151 HydrophobicContact CG2-CB 3.46Å; I99-E151 VanDerWaalsContact CG2-CB 3.46Å; I99-E151 HydrophobicContact CG2-CG 4.24Å; I99-E151 WeakPolarHBondContact CG2-OE2 3.25Å; R101-E151 IonicContact CZ-OE1 3.53Å; R101-E151 IonicContact CZ-OE2 3.82Å; R101-E151 IonicContact NE-OE1 2.74Å; R101-E151 PolarHBondContact NE-OE1 3.21Å; R101-E151 IonicContact NE-OE2 3.82Å; R101-E151 PolarHBondContact NE-OE2 3.32Å; R101-E151 IonicContact NH2-OE1 3.72Å; R101-E151 PolarHBondContact NH2-OE1 3.16Å; R101-E151 IonicContact NH2-OE2 3.96Å; E151-Q153 VanDerWaalsContact C-N 3.3Å; E151-Q153 PolarHBondContact O-N 2.91Å; E151-N154 PolarHBondContact O-N 2.88Å; E151-Y155 PolarHBondContact O-N 3.47Å
152L91.3Very high88.9Confident8 Ų864.2 Ų64.24%0.04233%0.331CS..Hα-helixtrans-66.6-28.6176.9-74.1172.3000113.4L97 P98 I99 L123 F147 S150 N154 Y155 F156L97-L152 HydrophobicContact CB-CD1 3.79Å; P98-L152 WeakPolarHBondContact O-CD2 3.3Å; I99-L152 HydrophobicContact CG1-CD1 4.37Å; I99-L152 HydrophobicContact CG1-CG 4.22Å; L123-L152 HydrophobicContact CD2-CD2 4.17Å; F147-L152 HydrophobicContact CB-CB 4.5Å; F147-L152 HydrophobicContact CD1-CB 4.16Å; F147-L152 HydrophobicContact CD1-CD1 4Å; F147-L152 HydrophobicContact CE1-CD1 3.89Å; F147-L152 HydrophobicContact CG-CB 4.36Å; S150-L152 PolarHBondContact O-N 3.44Å; S150-L152 PolarHBondContact OG-N 2.92Å; L152-N154 VanDerWaalsContact C-N 3.35Å; L152-Y155 PolarHBondContact O-N 3.4Å; L152-F156 HydrophobicContact CB-CD2 4.36Å; L152-F156 HydrophobicContact CB-CE2 4.24Å; L152-F156 WeakPolarHBondContact O-CD2 3.42Å; L152-F156 PolarHBondContact O-N 2.84Å
153Q91.4Very high88.4Confident52 Ų5267 Ų6724%0.24335%0.349CS..Hα-helixtrans-58.9-51.2174.6-173.7-174.5-1.900109.9L144 F147 R148 S150 E151 Y155 F156 T157L144-Q153 HydrophobicContact CD2-CG 4.37Å; F147-Q153 HydrophobicContact CB-CB 4.48Å; F147-Q153 WeakPolarHBondContact O-CB 3.41Å; R148-Q153 VanDerWaalsContact CA-OE1 3.27Å; S150-Q153 WeakPolarHBondContact O-CB 3.04Å; S150-Q153 PolarHBondContact O-N 3.23Å; S150-Q153 VanDerWaalsContact O-N 3.07Å; E151-Q153 VanDerWaalsContact C-N 3.3Å; E151-Q153 PolarHBondContact O-N 2.91Å; Q153-Y155 VanDerWaalsContact C-N 3.3Å; Q153-Y155 PolarHBondContact O-N 3.5Å; Q153-F156 PolarHBondContact O-N 3.13Å; Q153-T157 WeakPolarHBondContact O-CB 3.43Å; Q153-T157 PolarHBondContact O-N 3.29Å; Q153-T157 PolarHBondContact O-OG1 3.32Å; Q153-T157 VanDerWaalsContact O-OG1 3.05Å
154N89.4Confident88.2Confident105 Ų10568.3 Ų68.356%0.56136%0.356SS*.Hα-helixtrans-61-41.5179.3-66.2-16.7000111.1E151 L152 T157 K158E151-N154 PolarHBondContact O-N 2.88Å; L152-N154 VanDerWaalsContact C-N 3.35Å; N154-T157 PolarHBondContact O-N 3.27Å; N154-K158 WeakPolarHBondContact O-CG 3.44Å; N154-K158 PolarHBondContact O-N 3.26Å
155Y91.4Very high88.2Confident5 Ų571.2 Ų71.22%0.0237%0.367CS..Hα-helixtrans-61.4-48.3177.4-179.3-99.7000112.5P100 L123 E151 L152 Q153 K158 I159 I237 Y268P100-Y155 HydrophobicContact CB-CE2 4.45Å; P100-Y155 HydrophobicContact CG-CD1 4.3Å; P100-Y155 HydrophobicContact CG-CD2 3.65Å; P100-Y155 HydrophobicContact CG-CE1 4.24Å; P100-Y155 HydrophobicContact CG-CE2 3.59Å; P100-Y155 HydrophobicContact CG-CG 4.01Å; L123-Y155 HydrophobicContact CB-CE1 4.27Å; L123-Y155 HydrophobicContact CD2-CD1 4.12Å; L123-Y155 HydrophobicContact CD2-CE1 3.66Å; L123-Y155 PolarHBondContact O-OH 2.86Å; E151-Y155 PolarHBondContact O-N 3.47Å; L152-Y155 PolarHBondContact O-N 3.4Å; Q153-Y155 VanDerWaalsContact C-N 3.3Å; Q153-Y155 PolarHBondContact O-N 3.5Å; Y155-K158 PolarHBondContact O-N 2.93Å; Y155-I159 HydrophobicContact CD1-CD1 3.78Å; Y155-I159 HydrophobicContact CE1-CD1 3.21Å; Y155-I159 HydrophobicContact CE1-CG1 4.25Å; Y155-I159 HydrophobicContact CE2-CD1 4.45Å; Y155-I159 WeakPolarHBondContact O-CG1 3.27Å; Y155-I159 PolarHBondContact O-N 3.33Å; Y155-I237 HydrophobicContact CE2-CD1 4.08Å; Y155-I237 HydrophobicContact CE2-CG1 4.28Å; Y155-I237 VanDerWaalsContact OH-CD1 3.29Å; Y155-I237 WeakPolarHBondContact OH-CD1 3.42Å; Y155-Y268 HydrophobicContact CD2-CD1 4.17Å; Y155-Y268 AromaticContact CD2-CE1 3.92Å; Y155-Y268 HydrophobicContact CD2-CE1 3.92Å; Y155-Y268 HydrophobicContact CE2-CD1 4.08Å; Y155-Y268 HydrophobicContact CE2-CD2 4.35Å; Y155-Y268 HydrophobicContact CE2-CE1 4.27Å; Y155-Y268 HydrophobicContact CE2-CG 4.1Å
156F91.4Very high88.2Confident0 Ų068.1 Ų68.10%035%0.351CS..Hα-helixtrans-68.2-35.6177.9-72.7-54.3000112.8L97 I122 W140 L144 F147 L152 Q153 I159 L160L97-F156 HydrophobicContact CD1-CE2 4.19Å; L97-F156 HydrophobicContact CD1-CZ 3.78Å; I122-F156 HydrophobicContact CG2-CE1 4.29Å; I122-F156 HydrophobicContact CG2-CZ 4.07Å; W140-F156 HydrophobicContact CH2-CD1 4.11Å; W140-F156 HydrophobicContact CH2-CE1 4.4Å; W140-F156 HydrophobicContact CZ3-CB 4.37Å; W140-F156 AromaticContact CZ3-CD1 3.74Å; W140-F156 HydrophobicContact CZ3-CD1 3.74Å; W140-F156 HydrophobicContact CZ3-CE1 4.24Å; W140-F156 HydrophobicContact CZ3-CG 4.12Å; L144-F156 HydrophobicContact CD2-CB 3.67Å; F147-F156 HydrophobicContact CD2-CD2 4.04Å; F147-F156 AromaticContact CD2-CE2 3.84Å; F147-F156 HydrophobicContact CD2-CE2 3.84Å; F147-F156 HydrophobicContact CE2-CD2 4.41Å; F147-F156 AromaticContact CE2-CE2 3.78Å; F147-F156 HydrophobicContact CE2-CE2 3.78Å; F147-F156 HydrophobicContact CG-CE2 4.46Å; F147-F156 HydrophobicContact CZ-CE2 4.35Å; L152-F156 HydrophobicContact CB-CD2 4.36Å; L152-F156 HydrophobicContact CB-CE2 4.24Å; L152-F156 WeakPolarHBondContact O-CD2 3.42Å; L152-F156 PolarHBondContact O-N 2.84Å; Q153-F156 PolarHBondContact O-N 3.13Å; F156-I159 HydrophobicContact CD1-CD1 4.36Å; F156-I159 PolarHBondContact O-N 3.01Å; F156-L160 WeakPolarHBondContact O-CG 3.43Å; F156-L160 PolarHBondContact O-N 3.48Å; F156-L160 VanDerWaalsContact O-N 3.13Å
157T90.4Very high88.3Confident31 Ų3164.8 Ų64.819%0.1934%0.339CS..Hα-helixtrans-59.6-47.5172.5-64.80000110.5Q153 N154 I159 L160 E161Q153-T157 WeakPolarHBondContact O-CB 3.43Å; Q153-T157 PolarHBondContact O-N 3.29Å; Q153-T157 PolarHBondContact O-OG1 3.32Å; Q153-T157 VanDerWaalsContact O-OG1 3.05Å; N154-T157 PolarHBondContact O-N 3.27Å; T157-I159 PolarHBondContact O-N 2.88Å; T157-L160 PolarHBondContact O-N 3Å; T157-E161 HydrophobicContact CG2-CG 4.1Å; T157-E161 WeakPolarHBondContact CG2-OE2 3.43Å; T157-E161 WeakPolarHBondContact O-CB 3.13Å; T157-E161 PolarHBondContact O-N 3.19Å
158K88.4Confident88.4Confident81 Ų8165.9 Ų65.935%0.35235%0.347SS..Hα-helixtrans-61.8-39.6176-69.5-173.1176.6-170.60113.2N154 Y155 L160 D162 L164 Y268N154-K158 WeakPolarHBondContact O-CG 3.44Å; N154-K158 PolarHBondContact O-N 3.26Å; Y155-K158 PolarHBondContact O-N 2.93Å; K158-L160 PolarHBondContact O-N 2.91Å; K158-D162 WeakPolarHBondContact CG-OD2 3.28Å; K158-D162 WeakPolarHBondContact O-CA 3.26Å; K158-D162 VanDerWaalsContact O-CB 3.3Å; K158-D162 WeakPolarHBondContact O-CB 3.44Å; K158-D162 PolarHBondContact O-N 3.03Å; K158-L164 HydrophobicContact CB-CD1 3.68Å; K158-L164 HydrophobicContact CB-CG 4.14Å; K158-Y268 PolarHBondContact NZ-OH 3.43Å
159I88Confident88.5Confident24 Ų2456.4 Ų56.412%0.12331%0.311CS..Hα-helixtrans-58.6-36.5174.6-73.6175.8000111.5L123 Y155 F156 T157 L164 I237L123-I159 WeakPolarHBondContact O-CD1 3.45Å; Y155-I159 HydrophobicContact CD1-CD1 3.78Å; Y155-I159 HydrophobicContact CE1-CD1 3.21Å; Y155-I159 HydrophobicContact CE1-CG1 4.25Å; Y155-I159 HydrophobicContact CE2-CD1 4.45Å; Y155-I159 WeakPolarHBondContact O-CG1 3.27Å; Y155-I159 PolarHBondContact O-N 3.33Å; F156-I159 HydrophobicContact CD1-CD1 4.36Å; F156-I159 PolarHBondContact O-N 3.01Å; T157-I159 PolarHBondContact O-N 2.88Å; I159-L164 HydrophobicContact CG1-CB 4.41Å; I159-L164 HydrophobicContact CG1-CD1 4.22Å; I159-I237 HydrophobicContact CD1-CD1 4.38Å; I159-I237 HydrophobicContact CG1-CD1 4.24Å
160L85.8Confident88.3Confident76 Ų7655.7 Ų55.740%0.39829%0.292SS..Hα-helixtrans-85.2-37.1-177-67.1168.8000113.4W140 L144 F156 T157 K158W140-L160 HydrophobicContact CB-CD1 3.84Å; W140-L160 HydrophobicContact CD2-CD1 3.85Å; W140-L160 HydrophobicContact CD2-CD2 3.93Å; W140-L160 HydrophobicContact CD2-CG 4.38Å; W140-L160 HydrophobicContact CE3-CD1 3.92Å; W140-L160 HydrophobicContact CG-CD1 3.85Å; W140-L160 HydrophobicContact CG-CD2 3.94Å; W140-L160 HydrophobicContact CZ2-CD2 4.42Å; L144-L160 HydrophobicContact CD1-CD1 4.14Å; F156-L160 WeakPolarHBondContact O-CG 3.43Å; F156-L160 PolarHBondContact O-N 3.48Å; F156-L160 VanDerWaalsContact O-N 3.13Å; T157-L160 PolarHBondContact O-N 3Å; K158-L160 PolarHBondContact O-N 2.91Å
161E86.1Confident87.9Confident152 Ų15255.9 Ų55.971%0.7129%0.288SS*.Hα-helixtrans-93.6-42.4-174.5-67.1-179.3177.200112.7T157T157-E161 HydrophobicContact CG2-CG 4.1Å; T157-E161 WeakPolarHBondContact CG2-OE2 3.43Å; T157-E161 WeakPolarHBondContact O-CB 3.13Å; T157-E161 PolarHBondContact O-N 3.19Å
162D76.2Confident87.3Confident102 Ų10258.3 Ų58.355%0.54530%0.295SS..SBendtrans-95.11.3-175.1-60-32.9000113.1K158 L164K158-D162 WeakPolarHBondContact CG-OD2 3.28Å; K158-D162 WeakPolarHBondContact O-CA 3.26Å; K158-D162 VanDerWaalsContact O-CB 3.3Å; K158-D162 WeakPolarHBondContact O-CB 3.44Å; K158-D162 PolarHBondContact O-N 3.03Å; D162-L164 VanDerWaalsContact C-N 3.26Å; D162-L164 HydrophobicContact CB-CD2 4.08Å; D162-L164 HydrophobicContact CB-CG 4.41Å; D162-L164 PolarHBondContact O-N 3.45Å
163D79.8Confident86.6Confident142 Ų14258 Ų5876%0.75929%0.293SS*.  trans45.947.5-177.3-162.425000112.9K165D163-K165 PolarHBondContact O-N 3.43Å; D163-K165 VanDerWaalsContact O-N 3.14Å
164L86.4Confident85.8Confident27 Ų2759.6 Ų59.614%0.14130%0.304CS..  trans-53.7121.8-177.1-65.1-175.7000110.9K158 I159 D162 A166 D236 I237 Y268K158-L164 HydrophobicContact CB-CD1 3.68Å; K158-L164 HydrophobicContact CB-CG 4.14Å; I159-L164 HydrophobicContact CG1-CB 4.41Å; I159-L164 HydrophobicContact CG1-CD1 4.22Å; D162-L164 VanDerWaalsContact C-N 3.26Å; D162-L164 HydrophobicContact CB-CD2 4.08Å; D162-L164 HydrophobicContact CB-CG 4.41Å; D162-L164 PolarHBondContact O-N 3.45Å; L164-A166 PolarHBondContact O-N 3.06Å; L164-D236 HydrophobicContact CB-CB 4.3Å; L164-D236 HydrophobicContact CD2-CB 3.83Å; L164-I237 HydrophobicContact CB-CD1 3.74Å; L164-I237 HydrophobicContact CB-CG1 4.45Å; L164-I237 HydrophobicContact CD1-CD1 3.97Å; L164-I237 HydrophobicContact CD1-CG1 4.41Å; L164-Y268 HydrophobicContact CD1-CE2 4.21Å
165K90.1Very high85.2Confident94 Ų9460.3 Ų60.341%0.40930%0.303SS..  trans-80.9113.4-178.7-174.8177.5168.7-159.20109.6D163 D193 R234 A235 D236 I237D163-K165 PolarHBondContact O-N 3.43Å; D163-K165 VanDerWaalsContact O-N 3.14Å; K165-D193 IonicContact NZ-OD2 3.97Å; K165-R234 WeakPolarHBondContact CD-O 3.33Å; K165-R234 PolarHBondContact NZ-O 2.83Å; K165-A235 HydrophobicContact CG-CB 4.43Å; K165-A235 VanDerWaalsContact O-CB 3.31Å; K165-A235 WeakPolarHBondContact O-CB 3.27Å; K165-D236 PolarHBondContact N-OD2 3.27Å; K165-D236 PolarHBondContact O-N 3Å; K165-D236 VanDerWaalsContact O-N 3.13Å; K165-I237 PolarHBondContact O-N 3.08Å
166A91.5Very high84.8Confident29 Ų2960.9 Ų60.924%0.2431%0.307CS..EExtended strand (participates in β ladder)trans-96.7127.117600000112.6A124 L164 I237A124-A166 HydrophobicContact CB-CB 4.25Å; L164-A166 PolarHBondContact O-N 3.06Å; A166-I237 WeakPolarHBondContact CA-O 3.39Å; A166-I237 HydrophobicContact CB-CB 4.02Å; A166-I237 HydrophobicContact CB-CD1 4.18Å; A166-I237 HydrophobicContact CB-CG2 4.35Å
167I93.4Very high84.4Confident15 Ų1562.2 Ų62.28%0.07732%0.315CS..EExtended strand (participates in β ladder)trans-114.7132.9173.9-61.6176.4000109.3V230 Q233 A235 I237 M239I167-V230 HydrophobicContact CG2-CB 4.15Å; I167-V230 HydrophobicContact CG2-CG1 3.76Å; I167-V230 HydrophobicContact CG2-CG2 3.77Å; I167-Q233 HydrophobicContact CD1-CB 3.29Å; I167-Q233 HydrophobicContact CD1-CG 4.16Å; I167-Q233 VanDerWaalsContact CD1-OE1 3.26Å; I167-A235 HydrophobicContact CB-CB 4.3Å; I167-A235 HydrophobicContact CD1-CB 3.37Å; I167-A235 HydrophobicContact CG1-CB 3.63Å; I167-I237 PolarHBondContact N-O 2.84Å; I167-M239 PolarHBondContact O-N 2.87Å
168V91.8Very high84Confident39 Ų3968.9 Ų68.924%0.23634%0.342CS..EExtended strand (participates in β ladder)trans-124.7122.6-176-173.90000109.6A124 M239A124-V168 HydrophobicContact CB-CG2 3.95Å; V168-M239 WeakPolarHBondContact CA-O 3.49Å; V168-M239 HydrophobicContact CB-CB 4.39Å; V168-M239 HydrophobicContact CG1-CB 4.21Å; V168-M239 HydrophobicContact CG2-CB 4.11Å; V168-M239 HydrophobicContact CG2-CG 4.35Å; V168-M239 HydrophobicContact CG2-SD 4.02Å
169K92.6Very high83.7Confident0 Ų070.4 Ų70.40%036%0.358CS..EExtended strand (participates in β ladder)trans-72.7120.4162.5-177.6-94.2171.7-168.10108.1Q171 A226 V230 M239 F240 D241 E242K169-Q171 PolarHBondContact NZ-O 2.91Å; K169-A226 HydrophobicContact CG-CB 4.24Å; K169-V230 HydrophobicContact CB-CG2 4.04Å; K169-M239 PolarHBondContact N-O 2.86Å; K169-F240 HydrophobicContact CB-CD1 4.09Å; K169-D241 WeakPolarHBondContact CD-O 3.41Å; K169-D241 PolarHBondContact NZ-O 2.74Å; K169-D241 PolarHBondContact O-N 3.35Å; K169-E242 PolarHBondContact NZ-O 3.18Å
170P82.2Confident83.5Confident62 Ų6271 Ų7140%0.40336%0.362SS..  trans-70.1146.5-179.428.7-34.3000111.9I176P170-I176 HydrophobicContact CG-CD1 4.22Å; P170-I176 HydrophobicContact CG-CG1 4.29Å
171Q79.7Confident83.5Confident46 Ų4675.2 Ų75.222%0.21538%0.377CS..SBendtrans-57.8-53.9177.9-166.5-176.912.100111.7K169 V173 D241 E242K169-Q171 PolarHBondContact NZ-O 2.91Å; Q171-V173 PolarHBondContact O-N 2.83Å; Q171-D241 HydrophobicContact CB-CB 4.24Å; Q171-E242 HydrophobicContact CG-CG 4.48Å; Q171-E242 PolarHBondContact NE2-OE1 2.66Å
172Y76.4Confident83.5Confident135 Ų13569.4 Ų69.453%0.52936%0.359SS..  trans-87.8100.9-177.4-59.5-70.9000112.2D174Y172-D174 VanDerWaalsContact C-N 3.3Å; Y172-D174 PolarHBondContact O-N 2.88Å
173V75.9Confident84.2Confident0 Ų066.9 Ų66.90%035%0.347CS..G310 helixtrans-69.6-25.9177-68.90000113.5Q171 Q175 I176 P177 L222 A226 Y246Q171-V173 PolarHBondContact O-N 2.83Å; V173-Q175 PolarHBondContact O-N 2.72Å; V173-I176 HydrophobicContact CB-CD1 3.96Å; V173-I176 HydrophobicContact CG1-CD1 3.81Å; V173-I176 VanDerWaalsContact O-CB 3.29Å; V173-I176 WeakPolarHBondContact O-CB 3.39Å; V173-I176 WeakPolarHBondContact O-CG1 3.21Å; V173-I176 PolarHBondContact O-N 3.37Å; V173-P177 WeakPolarHBondContact O-CD 3.44Å; V173-L222 HydrophobicContact CB-CD2 3.95Å; V173-L222 HydrophobicContact CB-CG 4.11Å; V173-L222 HydrophobicContact CG2-CD2 4.27Å; V173-L222 WeakPolarHBondContact O-CD2 3.31Å; V173-A226 HydrophobicContact CG1-CB 4.38Å; V173-Y246 HydrophobicContact CG2-CD2 4.07Å; V173-Y246 HydrophobicContact CG2-CE2 3.93Å
174D74.4Confident84.7Confident87 Ų8760.1 Ų60.147%0.46531%0.311SS..G310 helixtrans-59.7-15.3179.2-58-39.2000114.4Y172Y172-D174 VanDerWaalsContact C-N 3.3Å; Y172-D174 PolarHBondContact O-N 2.88Å
175Q78.3Confident84.8Confident119 Ų11959.2 Ų59.256%0.55631%0.308SS*.G310 helixtrans-88.9-16.9176.6-59.7-173.85.700113.1V173 K178 T179V173-Q175 PolarHBondContact O-N 2.72Å; Q175-K178 WeakPolarHBondContact O-CB 3.49Å; Q175-K178 PolarHBondContact O-N 3.06Å; Q175-T179 PolarHBondContact O-N 3.39Å; Q175-T179 PolarHBondContact O-OG1 3.33Å
176I82.2Confident84.8Confident18 Ų1857.7 Ų57.79%0.09231%0.309CS..Hα-helixtrans-61.4-47-178.2-61172.5000111.4P170 V173 K178 T179 V180 V214 L222 F225 A226P170-I176 HydrophobicContact CG-CD1 4.22Å; P170-I176 HydrophobicContact CG-CG1 4.29Å; V173-I176 HydrophobicContact CB-CD1 3.96Å; V173-I176 HydrophobicContact CG1-CD1 3.81Å; V173-I176 VanDerWaalsContact O-CB 3.29Å; V173-I176 WeakPolarHBondContact O-CB 3.39Å; V173-I176 WeakPolarHBondContact O-CG1 3.21Å; V173-I176 PolarHBondContact O-N 3.37Å; I176-K178 PolarHBondContact O-N 2.96Å; I176-K178 VanDerWaalsContact O-N 3.15Å; I176-T179 PolarHBondContact O-N 3.5Å; I176-T179 PolarHBondContact O-OG1 3.2Å; I176-V180 HydrophobicContact CG2-CB 4.42Å; I176-V180 HydrophobicContact CG2-CG2 4.29Å; I176-V180 PolarHBondContact O-N 3.4Å; I176-V214 HydrophobicContact CG2-CG1 4.31Å; I176-L222 HydrophobicContact CB-CD1 4.19Å; I176-L222 HydrophobicContact CG2-CD1 4.1Å; I176-F225 HydrophobicContact CG2-CE1 4.49Å; I176-A226 HydrophobicContact CD1-CB 3.73Å
177P82.7Confident84.7Confident27 Ų2757 Ų5718%0.17530%0.301CS..Hα-helixtrans-64.2-24.7-179.3-22.735.7000113.2V173 T179 V214 E215 L222V173-P177 WeakPolarHBondContact O-CD 3.44Å; P177-T179 VanDerWaalsContact C-N 3.29Å; P177-T179 PolarHBondContact O-N 3.39Å; P177-V214 HydrophobicContact CG-CG1 4.47Å; P177-E215 HydrophobicContact CB-CG 4.27Å; P177-L222 HydrophobicContact CG-CD1 4.08Å; P177-L222 HydrophobicContact CG-CD2 3.79Å
178K82.8Confident84.6Confident172 Ų17256.4 Ų56.475%0.74830%0.298SS*.Hα-helixtrans-73.4-23.9177.2-59.6-178.2-177.9177.70112.8Q175 I176Q175-K178 WeakPolarHBondContact O-CB 3.49Å; Q175-K178 PolarHBondContact O-N 3.06Å; I176-K178 PolarHBondContact O-N 2.96Å; I176-K178 VanDerWaalsContact O-N 3.15Å
179T81.9Confident84.4Confident112 Ų11257.5 Ų57.569%0.68731%0.307SS*.Hα-helixtrans-108.6-27.6-17352.40000112.8Q175 I176 P177Q175-T179 PolarHBondContact O-N 3.39Å; Q175-T179 PolarHBondContact O-OG1 3.33Å; I176-T179 PolarHBondContact O-N 3.5Å; I176-T179 PolarHBondContact O-OG1 3.2Å; P177-T179 VanDerWaalsContact C-N 3.29Å; P177-T179 PolarHBondContact O-N 3.39Å
180V83.1Confident84.3Confident37 Ų3768 Ų6822%0.22435%0.347CS..  trans-118.6117.2-176.2-175.50000109.4I176 I187I176-V180 HydrophobicContact CG2-CB 4.42Å; I176-V180 HydrophobicContact CG2-CG2 4.29Å; I176-V180 PolarHBondContact O-N 3.4Å; V180-I187 HydrophobicContact CG1-CD1 3.53Å; V180-I187 HydrophobicContact CG1-CG1 4.27Å; V180-I187 HydrophobicContact CG1-CG2 4.49Å
181K85.1Confident84.5Confident164 Ų16468.9 Ų68.971%0.71335%0.345SS*.  trans-111141.9174.9-62.2-169.4173.6-169.50110.5
182G87.9Confident85Confident31 Ų3168.4 Ų68.432%0.3234%0.344SS..SBendtrans133.8179.7178.400000112.9V214G182-V214 PolarHBondContact O-N 3.33Å
183T90.9Very high85.4Confident48 Ų4866 Ų6629%0.29434%0.34SS..BIsolated β-bridgetrans-82.4148.2175.7590000110.9G185 S186 I187 R212T183-G185 VanDerWaalsContact C-N 3.31Å; T183-G185 PolarHBondContact O-N 2.84Å; T183-S186 PolarHBondContact N-OG 3.15Å; T183-S186 PolarHBondContact O-N 3.02Å; T183-S186 PolarHBondContact O-OG 3.26Å; T183-S186 WeakPolarHBondContact OG1-CB 3.37Å; T183-S186 PolarHBondContact OG1-OG 2.82Å; T183-I187 WeakPolarHBondContact O-CD1 3.44Å; T183-I187 WeakPolarHBondContact O-CG1 3.32Å; T183-I187 PolarHBondContact O-N 2.89Å; T183-R212 WeakPolarHBondContact CA-O 3.46Å
184V88.9Confident85.6Confident1 Ų168.1 Ų68.11%0.00636%0.355CS..Hα-helixtrans-52.7-48.8179.91700000111.4S186 I187 L188 L209 R212 V214 L217 F225V184-S186 PolarHBondContact O-N 3.49Å; V184-I187 PolarHBondContact O-N 2.94Å; V184-L188 HydrophobicContact CG1-CD1 3.6Å; V184-L188 HydrophobicContact CG1-CG 4.29Å; V184-L188 VanDerWaalsContact O-CG 3.29Å; V184-L188 WeakPolarHBondContact O-CG 3.45Å; V184-L188 PolarHBondContact O-N 2.87Å; V184-L209 WeakPolarHBondContact CB-O 3.4Å; V184-R212 PolarHBondContact N-O 2.85Å; V184-V214 HydrophobicContact CG2-CG2 4.32Å; V184-L217 HydrophobicContact CG2-CD1 3.82Å; V184-L217 HydrophobicContact CG2-CD2 4.28Å; V184-L217 HydrophobicContact CG2-CG 4.46Å; V184-F225 HydrophobicContact CB-CD2 4.45Å; V184-F225 HydrophobicContact CB-CE2 4.43Å; V184-F225 HydrophobicContact CG1-CD2 3.76Å; V184-F225 HydrophobicContact CG1-CE2 4.02Å; V184-F225 HydrophobicContact CG2-CD2 4.29Å; V184-F225 HydrophobicContact CG2-CE2 4.46Å
185G88.8Confident86.1Confident7 Ų772.8 Ų72.87%0.07237%0.371CS..Hα-helixtrans-61.2-45.2-179.500000113.4T183 I187 L188 S189 R210T183-G185 VanDerWaalsContact C-N 3.31Å; T183-G185 PolarHBondContact O-N 2.84Å; G185-I187 VanDerWaalsContact C-N 3.26Å; G185-I187 PolarHBondContact O-N 3Å; G185-L188 PolarHBondContact O-N 3.3Å; G185-S189 PolarHBondContact O-N 3.45Å; G185-S189 PolarHBondContact O-OG 2.96Å; G185-R210 VanDerWaalsContact CA-CG 3.45Å; G185-R210 PolarHBondContact N-O 3.29Å
186S90.3Very high86.5Confident63 Ų6369.1 Ų69.144%0.44136%0.357SS..Hα-helixtrans-61.8-36.9179.670.10000112.4T183 V184 R190T183-S186 PolarHBondContact N-OG 3.15Å; T183-S186 PolarHBondContact O-N 3.02Å; T183-S186 PolarHBondContact O-OG 3.26Å; T183-S186 WeakPolarHBondContact OG1-CB 3.37Å; T183-S186 PolarHBondContact OG1-OG 2.82Å; V184-S186 PolarHBondContact O-N 3.49Å; S186-R190 WeakPolarHBondContact O-CB 3.34Å; S186-R190 PolarHBondContact O-N 2.87Å; S186-R190 VanDerWaalsContact O-N 3.09Å
187I90.3Very high86.8Confident15 Ų1569 Ų698%0.07736%0.356CS..Hα-helixtrans-75.1-41.4-179.1-63.2158.7000110.8V180 T183 V184 G185 R190 K191 V214 F225V180-I187 HydrophobicContact CG1-CD1 3.53Å; V180-I187 HydrophobicContact CG1-CG1 4.27Å; V180-I187 HydrophobicContact CG1-CG2 4.49Å; T183-I187 WeakPolarHBondContact O-CD1 3.44Å; T183-I187 WeakPolarHBondContact O-CG1 3.32Å; T183-I187 PolarHBondContact O-N 2.89Å; V184-I187 PolarHBondContact O-N 2.94Å; G185-I187 VanDerWaalsContact C-N 3.26Å; G185-I187 PolarHBondContact O-N 3Å; I187-R190 PolarHBondContact O-N 3.45Å; I187-K191 HydrophobicContact CG2-CD 4.15Å; I187-K191 WeakPolarHBondContact O-CB 3.32Å; I187-K191 WeakPolarHBondContact O-CG 3.33Å; I187-K191 PolarHBondContact O-N 2.8Å; I187-K191 VanDerWaalsContact O-N 3.13Å; I187-V214 HydrophobicContact CD1-CG2 3.49Å; I187-V214 VanDerWaalsContact CD1-CG2 3.49Å; I187-F225 HydrophobicContact CB-CE2 4.35Å; I187-F225 HydrophobicContact CB-CZ 4.09Å; I187-F225 HydrophobicContact CD1-CZ 4.05Å; I187-F225 HydrophobicContact CG2-CE2 4.28Å; I187-F225 HydrophobicContact CG2-CZ 3.76Å
188L89.6Confident87.1Confident1 Ų172.4 Ų72.41%0.00538%0.376CS..Hα-helixtrans-62.1-52.4176.8-69.6170.4000110.2V184 G185 R190 K191 D192 E197 F225 A228 V229 I232V184-L188 HydrophobicContact CG1-CD1 3.6Å; V184-L188 HydrophobicContact CG1-CG 4.29Å; V184-L188 VanDerWaalsContact O-CG 3.29Å; V184-L188 WeakPolarHBondContact O-CG 3.45Å; V184-L188 PolarHBondContact O-N 2.87Å; G185-L188 PolarHBondContact O-N 3.3Å; L188-R190 VanDerWaalsContact C-N 3.26Å; L188-R190 PolarHBondContact O-N 3.34Å; L188-K191 CarbonylContact O-C 3.55Å; L188-K191 PolarHBondContact O-N 3.38Å; L188-D192 WeakPolarHBondContact O-CB 3.4Å; L188-D192 PolarHBondContact O-N 3.47Å; L188-E197 HydrophobicContact CB-CG 4.08Å; L188-F225 HydrophobicContact CD2-CD2 4.25Å; L188-F225 HydrophobicContact CD2-CE2 4.14Å; L188-F225 HydrophobicContact CG-CD2 4.39Å; L188-F225 HydrophobicContact CG-CE2 4.09Å; L188-A228 HydrophobicContact CD2-CB 4Å; L188-V229 HydrophobicContact CD2-CG2 3.77Å; L188-I232 HydrophobicContact CB-CD1 4.14Å; L188-I232 HydrophobicContact CD2-CD1 3.67Å; L188-I232 VanDerWaalsContact O-CD1 3.28Å; L188-I232 WeakPolarHBondContact O-CD1 3.47Å
189S89.1Confident87.5Confident62 Ų6268.5 Ų68.543%0.43436%0.363SS..Hα-helixtrans-64.7-29.1-179.9-56.40000113.3G185 K191 E197G185-S189 PolarHBondContact O-N 3.45Å; G185-S189 PolarHBondContact O-OG 2.96Å; S189-K191 VanDerWaalsContact C-N 3.34Å; S189-E197 VanDerWaalsContact CA-OE2 3.25Å; S189-E197 WeakPolarHBondContact CA-OE2 3.3Å; S189-E197 WeakPolarHBondContact CB-OE2 3.4Å; S189-E197 PolarHBondContact N-OE2 3.42Å; S189-E197 PolarHBondContact OG-OE1 2.98Å; S189-E197 PolarHBondContact OG-OE2 2.94Å
190R89.4Confident88Confident222 Ų22263.5 Ų63.584%0.83833%0.332SS*.Hα-helixtrans-71.1-28.7174-179.2176177.2-173.80.7113.2S186 I187 L188S186-R190 WeakPolarHBondContact O-CB 3.34Å; S186-R190 PolarHBondContact O-N 2.87Å; S186-R190 VanDerWaalsContact O-N 3.09Å; I187-R190 PolarHBondContact O-N 3.45Å; L188-R190 VanDerWaalsContact C-N 3.26Å; L188-R190 PolarHBondContact O-N 3.34Å
191K87.7Confident88.3Confident79 Ų7962.2 Ų62.234%0.34332%0.324SS..Hα-helixtrans-105.7-0.3-175.5-69.2-173.5173.4-172.20113.3I187 L188 S189 D193 V229 I232 Q233I187-K191 HydrophobicContact CG2-CD 4.15Å; I187-K191 WeakPolarHBondContact O-CB 3.32Å; I187-K191 WeakPolarHBondContact O-CG 3.33Å; I187-K191 PolarHBondContact O-N 2.8Å; I187-K191 VanDerWaalsContact O-N 3.13Å; L188-K191 CarbonylContact O-C 3.55Å; L188-K191 PolarHBondContact O-N 3.38Å; S189-K191 VanDerWaalsContact C-N 3.34Å; K191-D193 PolarHBondContact O-N 3.14Å; K191-D193 VanDerWaalsContact O-N 3.15Å; K191-V229 HydrophobicContact CD-CG1 3.64Å; K191-I232 HydrophobicContact CB-CD1 4.24Å; K191-Q233 HydrophobicContact CB-CG 4.28Å; K191-Q233 VanDerWaalsContact O-CG 3.28Å; K191-Q233 WeakPolarHBondContact O-CG 3.45Å
192D88.2Confident88.6Confident37 Ų3761.3 Ų61.320%0.19832%0.323CS..  trans-77.297.2178.5-172.516.3000110.4L188 S194 K195 T196 E197 I232L188-D192 WeakPolarHBondContact O-CB 3.4Å; L188-D192 PolarHBondContact O-N 3.47Å; D192-S194 PolarHBondContact OD1-N 3.15Å; D192-K195 WeakPolarHBondContact OD1-CA 3.26Å; D192-K195 PolarHBondContact OD1-N 2.99Å; D192-K195 VanDerWaalsContact OD2-CA 3.27Å; D192-K195 WeakPolarHBondContact OD2-CA 3.39Å; D192-T196 PolarHBondContact OD1-N 2.83Å; D192-E197 HydrophobicContact CB-CB 4.22Å; D192-E197 WeakPolarHBondContact OD2-CB 3.35Å; D192-E197 PolarHBondContact OD2-N 3.33Å; D192-I232 HydrophobicContact CB-CB 4.39Å; D192-I232 HydrophobicContact CB-CD1 4.24Å
193D86Confident88.7Confident85 Ų8562.9 Ų62.946%0.45532%0.322SS..SBendtrans-90.4-25.5173.5-63-34.3000111.3K165 K191 I232 R234K165-D193 IonicContact NZ-OD2 3.97Å; K191-D193 PolarHBondContact O-N 3.14Å; K191-D193 VanDerWaalsContact O-N 3.15Å; D193-I232 PolarHBondContact N-O 3.47Å; D193-R234 HydrophobicContact CB-CB 3.67Å; D193-R234 PolarHBondContact OD2-N 2.84Å
194S79.7Confident88.7Confident44 Ų4460.7 Ų60.731%0.30831%0.308SS..SBendtrans-95.1-5.3-172.452.20000114.6D192 T196 I232D192-S194 PolarHBondContact OD1-N 3.15Å; S194-T196 PolarHBondContact O-N 3.05Å; S194-T196 PolarHBondContact OG-OG1 3.44Å; S194-I232 PolarHBondContact N-O 3.09Å; S194-I232 VanDerWaalsContact OG-C 3.31Å; S194-I232 WeakPolarHBondContact OG-CA 3.46Å; S194-I232 PolarHBondContact OG-O 2.91Å
195K85.6Confident88.6Confident185 Ų18563.2 Ų63.280%0.80432%0.322SS*.SBendtrans57.731.1-174.5-57.4-178179.8179.40112.3D192D192-K195 WeakPolarHBondContact OD1-CA 3.26Å; D192-K195 PolarHBondContact OD1-N 2.99Å; D192-K195 VanDerWaalsContact OD2-CA 3.27Å; D192-K195 WeakPolarHBondContact OD2-CA 3.39Å
196T87.1Confident88.6Confident42 Ų4263 Ų6326%0.25832%0.319SS..  trans-110.78.9-179.154.60000112.4D192 S194 T198 I199 V200D192-T196 PolarHBondContact OD1-N 2.83Å; S194-T196 PolarHBondContact O-N 3.05Å; S194-T196 PolarHBondContact OG-OG1 3.44Å; T196-T198 VanDerWaalsContact C-N 3.28Å; T196-T198 PolarHBondContact O-N 3.21Å; T196-I199 PolarHBondContact O-N 3.19Å; T196-V200 WeakPolarHBondContact O-CG2 3.29Å; T196-V200 PolarHBondContact O-N 3.37Å
197E88.6Confident88.5Confident15 Ų1564.1 Ų64.17%0.0732%0.323CS..Hα-helixtrans-48.6-48.6179.9179-173.5162.100112.1L188 S189 D192 V200 C201 R210L188-E197 HydrophobicContact CB-CG 4.08Å; S189-E197 VanDerWaalsContact CA-OE2 3.25Å; S189-E197 WeakPolarHBondContact CA-OE2 3.3Å; S189-E197 WeakPolarHBondContact CB-OE2 3.4Å; S189-E197 PolarHBondContact N-OE2 3.42Å; S189-E197 PolarHBondContact OG-OE1 2.98Å; S189-E197 PolarHBondContact OG-OE2 2.94Å; D192-E197 HydrophobicContact CB-CB 4.22Å; D192-E197 WeakPolarHBondContact OD2-CB 3.35Å; D192-E197 PolarHBondContact OD2-N 3.33Å; E197-V200 PolarHBondContact O-N 2.98Å; E197-C201 VanDerWaalsContact O-CB 3.24Å; E197-C201 WeakPolarHBondContact O-CB 3.29Å; E197-C201 PolarHBondContact O-N 2.98Å; E197-C201 PolarHBondContact O-SG 3.49Å; E197-R210 IonicContact OE1-CZ 3.41Å; E197-R210 IonicContact OE1-NE 2.69Å; E197-R210 PolarHBondContact OE1-NE 2.85Å; E197-R210 IonicContact OE1-NH2 3.41Å; E197-R210 PolarHBondContact OE1-NH2 3.14Å; E197-R210 IonicContact OE2-NH2 3.4Å
198T88.8Confident88.3Confident99 Ų9968.7 Ų68.761%0.60734%0.344SS*.Hα-helixtrans-61.6-49-175.649.40000112.4T196 C201 E202T196-T198 VanDerWaalsContact C-N 3.28Å; T196-T198 PolarHBondContact O-N 3.21Å; T198-C201 PolarHBondContact O-N 3.27Å; T198-E202 WeakPolarHBondContact O-CB 3.22Å; T198-E202 PolarHBondContact O-N 3.03Å
199I90.9Very high88.1Confident90 Ų9068.8 Ų68.846%0.46234%0.344SS..Hα-helixtrans-63.1-46.9-179.9-59.9170.4000110.1T196 C201 E202 Q203T196-I199 PolarHBondContact O-N 3.19Å; I199-C201 PolarHBondContact O-N 3.42Å; I199-E202 PolarHBondContact O-N 3.2Å; I199-Q203 HydrophobicContact CG2-CG 4.46Å; I199-Q203 WeakPolarHBondContact O-CB 3.3Å; I199-Q203 WeakPolarHBondContact O-CG 3.36Å; I199-Q203 PolarHBondContact O-N 2.62Å
200V91.3Very high88Confident7 Ų771.4 Ų71.44%0.04235%0.345CS..Hα-helixtrans-66.1-39.4-178.9173.90000111T196 E197 Q203 L204 A228 C231 I232 T258T196-V200 WeakPolarHBondContact O-CG2 3.29Å; T196-V200 PolarHBondContact O-N 3.37Å; E197-V200 PolarHBondContact O-N 2.98Å; V200-Q203 PolarHBondContact O-N 3.36Å; V200-L204 HydrophobicContact CG1-CD1 3.8Å; V200-L204 WeakPolarHBondContact O-CB 3.44Å; V200-L204 PolarHBondContact O-N 3.14Å; V200-A228 HydrophobicContact CG1-CB 3.78Å; V200-C231 HydrophobicContact CG1-CB 4.16Å; V200-C231 HydrophobicContact CG2-CB 4.23Å; V200-I232 HydrophobicContact CB-CG2 4.13Å; V200-I232 HydrophobicContact CG1-CG2 4.24Å; V200-I232 HydrophobicContact CG2-CG2 4.17Å; V200-T258 HydrophobicContact CG1-CG2 4.25Å
201C90.7Very high87.9Confident10 Ų1069.5 Ų69.57%0.06835%0.345CS..Hα-helixtrans-65.4-37.9176.4-72.90000112.5E197 T198 I199 D205 L206 T207E197-C201 VanDerWaalsContact O-CB 3.24Å; E197-C201 WeakPolarHBondContact O-CB 3.29Å; E197-C201 PolarHBondContact O-N 2.98Å; E197-C201 PolarHBondContact O-SG 3.49Å; T198-C201 PolarHBondContact O-N 3.27Å; I199-C201 PolarHBondContact O-N 3.42Å; C201-D205 WeakPolarHBondContact O-CA 3.49Å; C201-D205 PolarHBondContact O-N 3.16Å; C201-L206 HydrophobicContact CB-CB 4.33Å; C201-L206 PolarHBondContact O-N 2.98Å; C201-T207 HydrophobicContact CB-CG2 4.36Å
202E90.8Very high87.9Confident145 Ų14571.3 Ų71.368%0.67835%0.35SS*.Hα-helixtrans-69.8-45.7177.1-167.5173.3-160.700111T198 I199 L204 D205T198-E202 WeakPolarHBondContact O-CB 3.22Å; T198-E202 PolarHBondContact O-N 3.03Å; I199-E202 PolarHBondContact O-N 3.2Å; E202-L204 VanDerWaalsContact C-N 3.35Å; E202-L204 PolarHBondContact O-N 2.93Å; E202-D205 PolarHBondContact O-N 3.44Å; E202-D205 VanDerWaalsContact O-N 3.16Å
203Q89.9Confident87.9Confident63 Ų6373 Ų7329%0.29436%0.359SS..Hα-helixtrans-61.6-40.7177.8-74.1180-9.400112.8I199 V200 D205 R254 T258I199-Q203 HydrophobicContact CG2-CG 4.46Å; I199-Q203 WeakPolarHBondContact O-CB 3.3Å; I199-Q203 WeakPolarHBondContact O-CG 3.36Å; I199-Q203 PolarHBondContact O-N 2.62Å; V200-Q203 PolarHBondContact O-N 3.36Å; Q203-D205 VanDerWaalsContact C-N 3.33Å; Q203-R254 WeakPolarHBondContact O-CB 3.48Å; Q203-R254 WeakPolarHBondContact O-CD 3.48Å; Q203-T258 PolarHBondContact OE1-OG1 3.28Å
204L90.9Very high88Confident2 Ų269 Ų691%0.0134%0.338CS..THydrogen-bonded Turntrans-89.22.7179.1-65.1173.1000113.3V200 E202 L206 R224 I227 A228 A255 T258V200-L204 HydrophobicContact CG1-CD1 3.8Å; V200-L204 WeakPolarHBondContact O-CB 3.44Å; V200-L204 PolarHBondContact O-N 3.14Å; E202-L204 VanDerWaalsContact C-N 3.35Å; E202-L204 PolarHBondContact O-N 2.93Å; L204-L206 HydrophobicContact CB-CD1 4.01Å; L204-L206 HydrophobicContact CB-CG 3.97Å; L204-L206 HydrophobicContact CD1-CD1 4.45Å; L204-L206 PolarHBondContact O-N 3.24Å; L204-R224 HydrophobicContact CB-CB 4.46Å; L204-R224 VanDerWaalsContact O-CD 3.29Å; L204-R224 WeakPolarHBondContact O-CD 3.26Å; L204-R224 PolarHBondContact O-NH1 3.15Å; L204-I227 HydrophobicContact CD1-CB 4.3Å; L204-I227 HydrophobicContact CD1-CG2 4.07Å; L204-A228 HydrophobicContact CD1-CB 3.69Å; L204-A255 HydrophobicContact CD2-CB 4.19Å; L204-T258 HydrophobicContact CD1-CG2 4.25Å; L204-T258 HydrophobicContact CG-CG2 4.28Å
205D87.9Confident88.3Confident55 Ų5572.2 Ų72.229%0.29435%0.348SS..THydrogen-bonded Turntrans52.354.2-179.317450000112.2C201 E202 Q203 H208 R224C201-D205 WeakPolarHBondContact O-CA 3.49Å; C201-D205 PolarHBondContact O-N 3.16Å; E202-D205 PolarHBondContact O-N 3.44Å; E202-D205 VanDerWaalsContact O-N 3.16Å; Q203-D205 VanDerWaalsContact C-N 3.33Å; D205-H208 PolarHBondContact O-CE1 2.59Å; D205-H208 IonicContact OD1-CE1 2.96Å; D205-H208 PolarHBondContact OD1-CE1 2.84Å; D205-H208 IonicContact OD1-ND1 2.8Å; D205-H208 PolarHBondContact OD1-ND1 2.9Å; D205-H208 IonicContact OD2-CE1 3.29Å; D205-R224 PolarHBondContact O-NH1 2.86Å; D205-R224 IonicContact OD2-NH1 2.76Å; D205-R224 PolarHBondContact OD2-NH1 3.32Å
206L88.7Confident88.3Confident3 Ų368.1 Ų68.12%0.01634%0.335CS..  trans-106.7-3.6178.3-65.4176.8000112.9C201 L204 H208 L209 R210 R224 A228C201-L206 HydrophobicContact CB-CB 4.33Å; C201-L206 PolarHBondContact O-N 2.98Å; L204-L206 HydrophobicContact CB-CD1 4.01Å; L204-L206 HydrophobicContact CB-CG 3.97Å; L204-L206 HydrophobicContact CD1-CD1 4.45Å; L204-L206 PolarHBondContact O-N 3.24Å; L206-H208 VanDerWaalsContact C-N 3.3Å; L206-H208 PolarHBondContact O-N 3.49Å; L206-L209 HydrophobicContact CD2-CD1 3.87Å; L206-L209 PolarHBondContact O-N 3.46Å; L206-R210 PolarHBondContact O-N 3.27Å; L206-R224 HydrophobicContact CD2-CB 3.77Å; L206-R224 HydrophobicContact CG-CB 4.4Å; L206-A228 HydrophobicContact CD1-CB 3.47Å; L206-A228 VanDerWaalsContact CD1-CB 3.47Å
207T87.4Confident88.1Confident86 Ų8667 Ų6753%0.52833%0.327SS..G310 helixtrans-56.9-42.2-175.249.80000112.5C201 L209C201-T207 HydrophobicContact CB-CG2 4.36Å; T207-L209 VanDerWaalsContact C-N 3.27Å; T207-L209 PolarHBondContact O-N 2.97Å
208H86.4Confident87.8Confident110 Ų11069.1 Ų69.151%0.50934%0.344SS..G310 helixtrans-75.8-11178.565.6-85.4000114D205 L206D205-H208 PolarHBondContact O-CE1 2.59Å; D205-H208 IonicContact OD1-CE1 2.96Å; D205-H208 PolarHBondContact OD1-CE1 2.84Å; D205-H208 IonicContact OD1-ND1 2.8Å; D205-H208 PolarHBondContact OD1-ND1 2.9Å; D205-H208 IonicContact OD2-CE1 3.29Å; L206-H208 VanDerWaalsContact C-N 3.3Å; L206-H208 PolarHBondContact O-N 3.49Å
209L85.9Confident87.4Confident3 Ų365.7 Ų65.72%0.01633%0.328CS..G310 helixtrans-100.60.7-177.6-59.2173.1000112.8V184 L206 T207 E211 R212 L217 E221V184-L209 WeakPolarHBondContact CB-O 3.4Å; L206-L209 HydrophobicContact CD2-CD1 3.87Å; L206-L209 PolarHBondContact O-N 3.46Å; T207-L209 VanDerWaalsContact C-N 3.27Å; T207-L209 PolarHBondContact O-N 2.97Å; L209-E211 PolarHBondContact O-N 3.49Å; L209-R212 PolarHBondContact O-N 3.42Å; L209-L217 HydrophobicContact CD2-CD2 4.46Å; L209-E221 HydrophobicContact CD1-CB 3.91Å; L209-E221 HydrophobicContact CD1-CG 3.61Å; L209-E221 HydrophobicContact CD2-CG 4.46Å; L209-E221 WeakPolarHBondContact CD2-OE1 3.37Å
210R86.2Confident87.2Confident118 Ų11861.9 Ų61.945%0.44531%0.311SS..THydrogen-bonded Turntrans-59.4-34.9-171.5-160.9173.1-167.5-170.71.4113.3G185 E197 L206G185-R210 VanDerWaalsContact CA-CG 3.45Å; G185-R210 PolarHBondContact N-O 3.29Å; E197-R210 IonicContact OE1-CZ 3.41Å; E197-R210 IonicContact OE1-NE 2.69Å; E197-R210 PolarHBondContact OE1-NE 2.85Å; E197-R210 IonicContact OE1-NH2 3.41Å; E197-R210 PolarHBondContact OE1-NH2 3.14Å; E197-R210 IonicContact OE2-NH2 3.4Å; L206-R210 PolarHBondContact O-N 3.27Å
211E87.4Confident87.1Confident181 Ų18162.8 Ų62.885%0.84632%0.315SS*.THydrogen-bonded Turntrans-88.6-13-179.4-61.6-175.117000113.5L209L209-E211 PolarHBondContact O-N 3.49Å
212R86.7Confident87Confident118 Ų11862.6 Ų62.645%0.44531%0.313SS..SBendtrans-72.3152.3178.5-96.8-171.5175.9172.72111.9T183 V184 L209 L217 E221T183-R212 WeakPolarHBondContact CA-O 3.46Å; V184-R212 PolarHBondContact N-O 2.85Å; L209-R212 PolarHBondContact O-N 3.42Å; R212-L217 HydrophobicContact CB-CD2 4.18Å; R212-E221 IonicContact NH1-OE1 2.73Å; R212-E221 PolarHBondContact NH1-OE1 2.78Å; R212-E221 IonicContact NH1-OE2 2.75Å; R212-E221 PolarHBondContact NH1-OE2 3.26Å
213N88.6Confident87.1Confident72 Ų7255.7 Ų55.739%0.38528%0.28SS..BIsolated β-bridgetrans-78149.1169.1-56.2-55.2000110.7E215 D216N213-E215 PolarHBondContact O-N 2.83Å; N213-D216 WeakPolarHBondContact CB-OD2 3.45Å; N213-D216 PolarHBondContact ND2-OD2 2.97Å; N213-D216 PolarHBondContact O-N 2.78Å
214V87.9Confident87.2Confident1 Ų153.2 Ų53.21%0.00627%0.268CS..G310 helixtrans-61.7-29.8177.2177.90000112.4I176 P177 G182 V184 I187 D216 L217 L222 F225I176-V214 HydrophobicContact CG2-CG1 4.31Å; P177-V214 HydrophobicContact CG-CG1 4.47Å; G182-V214 PolarHBondContact O-N 3.33Å; V184-V214 HydrophobicContact CG2-CG2 4.32Å; I187-V214 HydrophobicContact CD1-CG2 3.49Å; I187-V214 VanDerWaalsContact CD1-CG2 3.49Å; V214-D216 VanDerWaalsContact C-N 3.29Å; V214-D216 PolarHBondContact O-N 3.39Å; V214-L217 PolarHBondContact O-N 3.4Å; V214-L222 HydrophobicContact CG1-CD1 3.75Å; V214-F225 HydrophobicContact CG1-CE1 4.17Å; V214-F225 HydrophobicContact CG2-CE1 3.92Å; V214-F225 HydrophobicContact CG2-CZ 3.91Å
215E86.5Confident87.3Confident111 Ų11153.4 Ų53.452%0.51927%0.269SS..G310 helixtrans-69.7-25.2179.6-60.1-178.6-171.200113.3P177 N213P177-E215 HydrophobicContact CB-CG 4.27Å; N213-E215 PolarHBondContact O-N 2.83Å
216D84.7Confident87.5Confident99 Ų9951.1 Ų51.153%0.52926%0.258SS..G310 helixtrans-91.8-4-177.3-59-42.5000112.7N213 V214N213-D216 WeakPolarHBondContact CB-OD2 3.45Å; N213-D216 PolarHBondContact ND2-OD2 2.97Å; N213-D216 PolarHBondContact O-N 2.78Å; V214-D216 VanDerWaalsContact C-N 3.29Å; V214-D216 PolarHBondContact O-N 3.39Å
217L82.9Confident87.8Confident18 Ų1851 Ų519%0.09426%0.257CS..  trans-73.5140.1-177.8-61.6-177.8000111.7V184 L209 R212 V214 E221 L222 F225V184-L217 HydrophobicContact CG2-CD1 3.82Å; V184-L217 HydrophobicContact CG2-CD2 4.28Å; V184-L217 HydrophobicContact CG2-CG 4.46Å; L209-L217 HydrophobicContact CD2-CD2 4.46Å; R212-L217 HydrophobicContact CB-CD2 4.18Å; V214-L217 PolarHBondContact O-N 3.4Å; L217-E221 WeakPolarHBondContact CA-OE2 3.45Å; L217-E221 HydrophobicContact CB-CB 4Å; L217-E221 HydrophobicContact CD2-CB 4.14Å; L217-E221 HydrophobicContact CG-CB 4.47Å; L217-L222 HydrophobicContact CB-CB 4.25Å; L217-L222 HydrophobicContact CD1-CD1 4.32Å; L217-F225 HydrophobicContact CD1-CB 4.24Å; L217-F225 HydrophobicContact CD1-CG 4.45Å
218S82.4Confident88.1Confident61 Ų6146.9 Ų46.943%0.42723%0.232SC..  trans-67.6161.6166.570.30000111.3G220 E221 L222S218-G220 VanDerWaalsContact C-N 3.27Å; S218-G220 PolarHBondContact O-N 3.09Å; S218-E221 PolarHBondContact N-OE2 3.42Å; S218-E221 PolarHBondContact O-N 2.92Å; S218-E221 VanDerWaalsContact O-N 3.11Å; S218-E221 VanDerWaalsContact OG-CD 3.28Å; S218-E221 WeakPolarHBondContact OG-CG 3.47Å; S218-E221 PolarHBondContact OG-N 3.21Å; S218-E221 PolarHBondContact OG-OE2 2.79Å; S218-L222 VanDerWaalsContact O-CB 3.29Å; S218-L222 WeakPolarHBondContact O-CB 3.4Å; S218-L222 PolarHBondContact O-N 3.25Å
219G82.1Confident88.4Confident27 Ų2742.3 Ų42.328%0.27821%0.212SC..Hα-helixtrans-55.8-38.8-179.600000113.9Q223G219-Q223 VanDerWaalsContact O-CB 3.3Å; G219-Q223 WeakPolarHBondContact O-CB 3.4Å; G219-Q223 PolarHBondContact O-N 3.36Å
220G86Confident88.8Confident9 Ų942.5 Ų42.59%0.09321%0.213CC..Hα-helixtrans-70.8-39.9175.900000113.3S218 Q223 R224 L247S218-G220 VanDerWaalsContact C-N 3.27Å; S218-G220 PolarHBondContact O-N 3.09Å; G220-Q223 PolarHBondContact O-N 2.88Å; G220-R224 WeakPolarHBondContact O-CG 3.34Å; G220-R224 PolarHBondContact O-N 2.74Å; G220-L247 WeakPolarHBondContact O-CD2 3.44Å
221E88.9Confident89.1Confident27 Ų2737 Ų3713%0.12619%0.193CC..Hα-helixtrans-63.5-43.2173.5-68.5169.4162.500111.5L209 R212 L217 S218 Q223 R224 F225L209-E221 HydrophobicContact CD1-CB 3.91Å; L209-E221 HydrophobicContact CD1-CG 3.61Å; L209-E221 HydrophobicContact CD2-CG 4.46Å; L209-E221 WeakPolarHBondContact CD2-OE1 3.37Å; R212-E221 IonicContact NH1-OE1 2.73Å; R212-E221 PolarHBondContact NH1-OE1 2.78Å; R212-E221 IonicContact NH1-OE2 2.75Å; R212-E221 PolarHBondContact NH1-OE2 3.26Å; L217-E221 WeakPolarHBondContact CA-OE2 3.45Å; L217-E221 HydrophobicContact CB-CB 4Å; L217-E221 HydrophobicContact CD2-CB 4.14Å; L217-E221 HydrophobicContact CG-CB 4.47Å; S218-E221 PolarHBondContact N-OE2 3.42Å; S218-E221 PolarHBondContact O-N 2.92Å; S218-E221 VanDerWaalsContact O-N 3.11Å; S218-E221 VanDerWaalsContact OG-CD 3.28Å; S218-E221 WeakPolarHBondContact OG-CG 3.47Å; S218-E221 PolarHBondContact OG-N 3.21Å; S218-E221 PolarHBondContact OG-OE2 2.79Å; E221-Q223 VanDerWaalsContact C-N 3.34Å; E221-Q223 PolarHBondContact O-N 3.47Å; E221-R224 PolarHBondContact O-N 3.24Å; E221-F225 WeakPolarHBondContact O-CB 3.39Å; E221-F225 PolarHBondContact O-N 3.35Å
222L89.8Confident89.3Confident5 Ų528.4 Ų28.43%0.02615%0.153CC..Hα-helixtrans-64.5-38.7177.9-173.365.2000112V173 I176 P177 V214 L217 S218 F225 A226V173-L222 HydrophobicContact CB-CD2 3.95Å; V173-L222 HydrophobicContact CB-CG 4.11Å; V173-L222 HydrophobicContact CG2-CD2 4.27Å; V173-L222 WeakPolarHBondContact O-CD2 3.31Å; I176-L222 HydrophobicContact CB-CD1 4.19Å; I176-L222 HydrophobicContact CG2-CD1 4.1Å; P177-L222 HydrophobicContact CG-CD1 4.08Å; P177-L222 HydrophobicContact CG-CD2 3.79Å; V214-L222 HydrophobicContact CG1-CD1 3.75Å; L217-L222 HydrophobicContact CB-CB 4.25Å; L217-L222 HydrophobicContact CD1-CD1 4.32Å; S218-L222 VanDerWaalsContact O-CB 3.29Å; S218-L222 WeakPolarHBondContact O-CB 3.4Å; S218-L222 PolarHBondContact O-N 3.25Å; L222-F225 HydrophobicContact CD1-CD1 4.36Å; L222-F225 PolarHBondContact O-N 3.4Å; L222-A226 WeakPolarHBondContact O-CB 3.29Å; L222-A226 PolarHBondContact O-N 2.89Å
223Q91.4Very high89.6Confident0 Ų024.3 Ų24.30%014%0.139CC..Hα-helixtrans-63.8-47.7173.9-177.279.92.800111.3G219 G220 E221 F225 A226 I227 E242 P243 S245 L247G219-Q223 VanDerWaalsContact O-CB 3.3Å; G219-Q223 WeakPolarHBondContact O-CB 3.4Å; G219-Q223 PolarHBondContact O-N 3.36Å; G220-Q223 PolarHBondContact O-N 2.88Å; E221-Q223 VanDerWaalsContact C-N 3.34Å; E221-Q223 PolarHBondContact O-N 3.47Å; Q223-F225 VanDerWaalsContact C-N 3.33Å; Q223-F225 PolarHBondContact O-N 2.85Å; Q223-A226 PolarHBondContact O-N 3.23Å; Q223-I227 HydrophobicContact CG-CD1 4.29Å; Q223-I227 WeakPolarHBondContact O-CG1 3.4Å; Q223-I227 PolarHBondContact O-N 3.36Å; Q223-E242 PolarHBondContact NE2-O 3.2Å; Q223-P243 PolarHBondContact NE2-O 2.73Å; Q223-S245 WeakPolarHBondContact CG-O 3.38Å; Q223-L247 HydrophobicContact CB-CD2 4.01Å; Q223-L247 HydrophobicContact CG-CD1 4.18Å; Q223-L247 HydrophobicContact CG-CD2 3.98Å; Q223-L247 HydrophobicContact CG-CG 3.99Å
224R92.6Very high89.7Confident12 Ų1230.1 Ų30.15%0.04516%0.155CC..Hα-helixtrans-60.6-43.4175.9-68.7-176.2-60.5163.1-9.5111.3L204 D205 L206 G220 E221 A226 I227 A228 L247L204-R224 HydrophobicContact CB-CB 4.46Å; L204-R224 VanDerWaalsContact O-CD 3.29Å; L204-R224 WeakPolarHBondContact O-CD 3.26Å; L204-R224 PolarHBondContact O-NH1 3.15Å; D205-R224 PolarHBondContact O-NH1 2.86Å; D205-R224 IonicContact OD2-NH1 2.76Å; D205-R224 PolarHBondContact OD2-NH1 3.32Å; L206-R224 HydrophobicContact CD2-CB 3.77Å; L206-R224 HydrophobicContact CG-CB 4.4Å; G220-R224 WeakPolarHBondContact O-CG 3.34Å; G220-R224 PolarHBondContact O-N 2.74Å; E221-R224 PolarHBondContact O-N 3.24Å; R224-A226 PolarHBondContact O-N 3.37Å; R224-I227 PolarHBondContact O-N 2.95Å; R224-A228 WeakPolarHBondContact O-CB 3.35Å; R224-A228 PolarHBondContact O-N 2.85Å; R224-L247 HydrophobicContact CG-CD2 3.74Å
225F92.8Very high89.8Confident5 Ų530.4 Ų30.42%0.02216%0.157CC..Hα-helixtrans-58.9-45.1173.3170.2-108.2000112.4I176 V184 I187 L188 V214 L217 E221 L222 Q223 I227 A228 V229I176-F225 HydrophobicContact CG2-CE1 4.49Å; V184-F225 HydrophobicContact CB-CD2 4.45Å; V184-F225 HydrophobicContact CB-CE2 4.43Å; V184-F225 HydrophobicContact CG1-CD2 3.76Å; V184-F225 HydrophobicContact CG1-CE2 4.02Å; V184-F225 HydrophobicContact CG2-CD2 4.29Å; V184-F225 HydrophobicContact CG2-CE2 4.46Å; I187-F225 HydrophobicContact CB-CE2 4.35Å; I187-F225 HydrophobicContact CB-CZ 4.09Å; I187-F225 HydrophobicContact CD1-CZ 4.05Å; I187-F225 HydrophobicContact CG2-CE2 4.28Å; I187-F225 HydrophobicContact CG2-CZ 3.76Å; L188-F225 HydrophobicContact CD2-CD2 4.25Å; L188-F225 HydrophobicContact CD2-CE2 4.14Å; L188-F225 HydrophobicContact CG-CD2 4.39Å; L188-F225 HydrophobicContact CG-CE2 4.09Å; V214-F225 HydrophobicContact CG1-CE1 4.17Å; V214-F225 HydrophobicContact CG2-CE1 3.92Å; V214-F225 HydrophobicContact CG2-CZ 3.91Å; L217-F225 HydrophobicContact CD1-CB 4.24Å; L217-F225 HydrophobicContact CD1-CG 4.45Å; E221-F225 WeakPolarHBondContact O-CB 3.39Å; E221-F225 PolarHBondContact O-N 3.35Å; L222-F225 HydrophobicContact CD1-CD1 4.36Å; L222-F225 PolarHBondContact O-N 3.4Å; Q223-F225 VanDerWaalsContact C-N 3.33Å; Q223-F225 PolarHBondContact O-N 2.85Å; F225-I227 VanDerWaalsContact C-N 3.33Å; F225-I227 PolarHBondContact O-N 2.66Å; F225-A228 WeakPolarHBondContact O-CB 3.22Å; F225-A228 PolarHBondContact O-N 2.86Å; F225-V229 HydrophobicContact CD1-CG2 4.47Å; F225-V229 HydrophobicContact CD2-CG2 3.99Å; F225-V229 HydrophobicContact CE1-CG2 4.09Å; F225-V229 HydrophobicContact CE2-CG2 3.57Å; F225-V229 HydrophobicContact CG-CG2 4.45Å; F225-V229 HydrophobicContact CZ-CG2 3.63Å; F225-V229 VanDerWaalsContact O-CG2 3.32Å; F225-V229 WeakPolarHBondContact O-CG2 3.31Å; F225-V229 PolarHBondContact O-N 2.95Å
226A93Very high90.1Very high8 Ų828 Ų287%0.06615%0.148CC..Hα-helixtrans-62.2-40.6178.700000112.2K169 V173 I176 L222 Q223 R224 V230K169-A226 HydrophobicContact CG-CB 4.24Å; V173-A226 HydrophobicContact CG1-CB 4.38Å; I176-A226 HydrophobicContact CD1-CB 3.73Å; L222-A226 WeakPolarHBondContact O-CB 3.29Å; L222-A226 PolarHBondContact O-N 2.89Å; Q223-A226 PolarHBondContact O-N 3.23Å; R224-A226 PolarHBondContact O-N 3.37Å; A226-V230 WeakPolarHBondContact O-CG2 3.14Å; A226-V230 PolarHBondContact O-N 3.1Å
227I94.4Very high90.6Very high0 Ų023.3 Ų23.30%012%0.123CC..Hα-helixtrans-65.1-45.9175-63.7167.1000110L204 Q223 R224 F225 V229 V230 C231 F240 P243 L247 A255 I259L204-I227 HydrophobicContact CD1-CB 4.3Å; L204-I227 HydrophobicContact CD1-CG2 4.07Å; Q223-I227 HydrophobicContact CG-CD1 4.29Å; Q223-I227 WeakPolarHBondContact O-CG1 3.4Å; Q223-I227 PolarHBondContact O-N 3.36Å; R224-I227 PolarHBondContact O-N 2.95Å; F225-I227 VanDerWaalsContact C-N 3.33Å; F225-I227 PolarHBondContact O-N 2.66Å; I227-V229 PolarHBondContact O-N 2.92Å; I227-V230 PolarHBondContact O-N 3.06Å; I227-V230 VanDerWaalsContact O-N 3.16Å; I227-C231 PolarHBondContact O-N 3.45Å; I227-C231 PolarHBondContact O-SG 2.96Å; I227-F240 HydrophobicContact CG2-CE1 4.22Å; I227-P243 HydrophobicContact CD1-CB 3.94Å; I227-P243 HydrophobicContact CG1-CB 4.39Å; I227-L247 HydrophobicContact CD1-CD1 4.44Å; I227-A255 HydrophobicContact CD1-CB 3.84Å; I227-I259 HydrophobicContact CG2-CD1 4.49Å; I227-I259 HydrophobicContact CG2-CG1 4.21Å
228A93.8Very high91.2Very high0 Ų022.6 Ų22.60%012%0.119CC..Hα-helixtrans-57.4-49.1178.600000112L188 V200 L204 L206 R224 F225 V230 C231 I232L188-A228 HydrophobicContact CD2-CB 4Å; V200-A228 HydrophobicContact CG1-CB 3.78Å; L204-A228 HydrophobicContact CD1-CB 3.69Å; L206-A228 HydrophobicContact CD1-CB 3.47Å; L206-A228 VanDerWaalsContact CD1-CB 3.47Å; R224-A228 WeakPolarHBondContact O-CB 3.35Å; R224-A228 PolarHBondContact O-N 2.85Å; F225-A228 WeakPolarHBondContact O-CB 3.22Å; F225-A228 PolarHBondContact O-N 2.86Å; A228-V230 PolarHBondContact O-N 2.95Å; A228-C231 PolarHBondContact O-N 2.91Å; A228-I232 WeakPolarHBondContact O-CG1 3.47Å; A228-I232 WeakPolarHBondContact O-CG2 3.44Å; A228-I232 PolarHBondContact O-N 3.02Å
229V92.7Very high91.9Very high13 Ų1319.7 Ų19.78%0.07910%0.099CC..Hα-helixtrans-57.6-34.3179167.90000112.2L188 K191 F225 I227 I232 Q233L188-V229 HydrophobicContact CD2-CG2 3.77Å; K191-V229 HydrophobicContact CD-CG1 3.64Å; F225-V229 HydrophobicContact CD1-CG2 4.47Å; F225-V229 HydrophobicContact CD2-CG2 3.99Å; F225-V229 HydrophobicContact CE1-CG2 4.09Å; F225-V229 HydrophobicContact CE2-CG2 3.57Å; F225-V229 HydrophobicContact CG-CG2 4.45Å; F225-V229 HydrophobicContact CZ-CG2 3.63Å; F225-V229 VanDerWaalsContact O-CG2 3.32Å; F225-V229 WeakPolarHBondContact O-CG2 3.31Å; F225-V229 PolarHBondContact O-N 2.95Å; I227-V229 PolarHBondContact O-N 2.92Å; V229-I232 WeakPolarHBondContact O-CG1 3.47Å; V229-Q233 WeakPolarHBondContact O-CG 3.43Å; V229-Q233 PolarHBondContact O-NE2 3.38Å
230V93.3Very high92.5Very high7 Ų718.4 Ų18.44%0.0429%0.086CC..Hα-helixtrans-75.6-40.9176.21710000111.2I167 K169 A226 I227 A228 I232 Q233 F238 F240I167-V230 HydrophobicContact CG2-CB 4.15Å; I167-V230 HydrophobicContact CG2-CG1 3.76Å; I167-V230 HydrophobicContact CG2-CG2 3.77Å; K169-V230 HydrophobicContact CB-CG2 4.04Å; A226-V230 WeakPolarHBondContact O-CG2 3.14Å; A226-V230 PolarHBondContact O-N 3.1Å; I227-V230 PolarHBondContact O-N 3.06Å; I227-V230 VanDerWaalsContact O-N 3.16Å; A228-V230 PolarHBondContact O-N 2.95Å; V230-I232 PolarHBondContact O-N 2.71Å; V230-Q233 PolarHBondContact O-N 3.1Å; V230-F238 HydrophobicContact CG1-CD1 3.91Å; V230-F238 WeakPolarHBondContact O-CE1 3.43Å; V230-F240 HydrophobicContact CB-CE1 4.09Å; V230-F240 HydrophobicContact CB-CZ 4.48Å; V230-F240 HydrophobicContact CG1-CE1 3.68Å; V230-F240 HydrophobicContact CG1-CZ 3.68Å
231C92.8Very high92.8Very high3 Ų318.5 Ų18.52%0.028%0.084CC..Hα-helixtrans-70.3-26.8-176.7-62.50000114.3V200 I227 A228 L262V200-C231 HydrophobicContact CG1-CB 4.16Å; V200-C231 HydrophobicContact CG2-CB 4.23Å; I227-C231 PolarHBondContact O-N 3.45Å; I227-C231 PolarHBondContact O-SG 2.96Å; A228-C231 PolarHBondContact O-N 2.91Å; C231-L262 HydrophobicContact CB-CD1 4.32Å; C231-L262 HydrophobicContact CB-CD2 4.18Å
232I92.9Very high92.8Very high0 Ų018.4 Ų18.40%08%0.083CC..THydrogen-bonded Turntrans-86.2-8.5-179.765.3177.1000113.9L188 K191 D192 D193 S194 V200 A228 V229 V230L188-I232 HydrophobicContact CB-CD1 4.14Å; L188-I232 HydrophobicContact CD2-CD1 3.67Å; L188-I232 VanDerWaalsContact O-CD1 3.28Å; L188-I232 WeakPolarHBondContact O-CD1 3.47Å; K191-I232 HydrophobicContact CB-CD1 4.24Å; D192-I232 HydrophobicContact CB-CB 4.39Å; D192-I232 HydrophobicContact CB-CD1 4.24Å; D193-I232 PolarHBondContact N-O 3.47Å; S194-I232 PolarHBondContact N-O 3.09Å; S194-I232 VanDerWaalsContact OG-C 3.31Å; S194-I232 WeakPolarHBondContact OG-CA 3.46Å; S194-I232 PolarHBondContact OG-O 2.91Å; V200-I232 HydrophobicContact CB-CG2 4.13Å; V200-I232 HydrophobicContact CG1-CG2 4.24Å; V200-I232 HydrophobicContact CG2-CG2 4.17Å; A228-I232 WeakPolarHBondContact O-CG1 3.47Å; A228-I232 WeakPolarHBondContact O-CG2 3.44Å; A228-I232 PolarHBondContact O-N 3.02Å; V229-I232 WeakPolarHBondContact O-CG1 3.47Å; V230-I232 PolarHBondContact O-N 2.71Å
233Q91.9Very high92.9Very high33 Ų3318.3 Ų18.315%0.1548%0.083CC..SBendtrans-90.4146.1-179.3-77.4175.655.700110.9I167 K191 V229 V230I167-Q233 HydrophobicContact CD1-CB 3.29Å; I167-Q233 HydrophobicContact CD1-CG 4.16Å; I167-Q233 VanDerWaalsContact CD1-OE1 3.26Å; K191-Q233 HydrophobicContact CB-CG 4.28Å; K191-Q233 VanDerWaalsContact O-CG 3.28Å; K191-Q233 WeakPolarHBondContact O-CG 3.45Å; V229-Q233 WeakPolarHBondContact O-CG 3.43Å; V229-Q233 PolarHBondContact O-NE2 3.38Å; V230-Q233 PolarHBondContact O-N 3.1Å
234R90.5Very high92.8Very high194 Ų19418.5 Ų18.573%0.7329%0.085SC*.  trans-84.2118.4174-172.4175.7176.4176.5-1.3109.2K165 D193K165-R234 WeakPolarHBondContact CD-O 3.33Å; K165-R234 PolarHBondContact NZ-O 2.83Å; D193-R234 HydrophobicContact CB-CB 3.67Å; D193-R234 PolarHBondContact OD2-N 2.84Å
235A91.4Very high92.5Very high6 Ų619 Ų195%0.059%0.09CC..  trans-154.3163.317900000111K165 I167 F238K165-A235 HydrophobicContact CG-CB 4.43Å; K165-A235 VanDerWaalsContact O-CB 3.31Å; K165-A235 WeakPolarHBondContact O-CB 3.27Å; I167-A235 HydrophobicContact CB-CB 4.3Å; I167-A235 HydrophobicContact CD1-CB 3.37Å; I167-A235 HydrophobicContact CG1-CB 3.63Å; A235-F238 HydrophobicContact CB-CE1 4.12Å; A235-F238 HydrophobicContact CB-CE2 4.23Å; A235-F238 HydrophobicContact CB-CZ 3.88Å; A235-F238 WeakPolarHBondContact O-CE2 3.48Å; A235-F238 WeakPolarHBondContact O-CZ 3.35Å
236D92.6Very high92Very high61 Ų6122.7 Ų22.733%0.32610%0.104SC..SBendtrans-98.1-30.2178.9-47.2-68.4000110.8L164 K165 R267 Y268L164-D236 HydrophobicContact CB-CB 4.3Å; L164-D236 HydrophobicContact CD2-CB 3.83Å; K165-D236 PolarHBondContact N-OD2 3.27Å; K165-D236 PolarHBondContact O-N 3Å; K165-D236 VanDerWaalsContact O-N 3.13Å; D236-R267 WeakPolarHBondContact O-CA 3.31Å; D236-Y268 PolarHBondContact O-N 2.71Å
237I94.6Very high91.7Very high1 Ų122.3 Ų22.31%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-121.2116.9-179.4-54.9154.4000109.7Y155 I159 L164 K165 A166 I167 M239 Y268Y155-I237 HydrophobicContact CE2-CD1 4.08Å; Y155-I237 HydrophobicContact CE2-CG1 4.28Å; Y155-I237 VanDerWaalsContact OH-CD1 3.29Å; Y155-I237 WeakPolarHBondContact OH-CD1 3.42Å; I159-I237 HydrophobicContact CD1-CD1 4.38Å; I159-I237 HydrophobicContact CG1-CD1 4.24Å; L164-I237 HydrophobicContact CB-CD1 3.74Å; L164-I237 HydrophobicContact CB-CG1 4.45Å; L164-I237 HydrophobicContact CD1-CD1 3.97Å; L164-I237 HydrophobicContact CD1-CG1 4.41Å; K165-I237 PolarHBondContact O-N 3.08Å; A166-I237 WeakPolarHBondContact CA-O 3.39Å; A166-I237 HydrophobicContact CB-CB 4.02Å; A166-I237 HydrophobicContact CB-CD1 4.18Å; A166-I237 HydrophobicContact CB-CG2 4.35Å; I167-I237 PolarHBondContact N-O 2.84Å; I237-M239 HydrophobicContact CG2-CE 3.37Å; I237-M239 HydrophobicContact CG2-CG 4.07Å; I237-Y268 WeakPolarHBondContact CA-O 3.42Å; I237-Y268 HydrophobicContact CG1-CD2 4.02Å; I237-Y268 HydrophobicContact CG1-CG 4.37Å
238F95.9Very high91.3Very high2 Ų222.4 Ų22.41%0.00910%0.102CC..EExtended strand (participates in β ladder)trans-108123.8175.6-64.3-90.8000110.1V230 A235 F240 L262 R267 Y268 I269 I270V230-F238 HydrophobicContact CG1-CD1 3.91Å; V230-F238 WeakPolarHBondContact O-CE1 3.43Å; A235-F238 HydrophobicContact CB-CE1 4.12Å; A235-F238 HydrophobicContact CB-CE2 4.23Å; A235-F238 HydrophobicContact CB-CZ 3.88Å; A235-F238 WeakPolarHBondContact O-CE2 3.48Å; A235-F238 WeakPolarHBondContact O-CZ 3.35Å; F238-F240 HydrophobicContact CB-CE2 3.89Å; F238-F240 HydrophobicContact CB-CZ 4.49Å; F238-L262 HydrophobicContact CD1-CD1 3.97Å; F238-L262 HydrophobicContact CE1-CD1 4.31Å; F238-L262 HydrophobicContact CG-CD1 4.18Å; F238-R267 HydrophobicContact CD2-CG 4.49Å; F238-R267 HydrophobicContact CE2-CG 4.02Å; F238-Y268 PolarHBondContact N-O 2.89Å; F238-I269 HydrophobicContact CB-CG1 4.47Å; F238-I269 WeakPolarHBondContact O-CA 3.39Å; F238-I270 PolarHBondContact O-N 2.8Å
239M95.8Very high90.8Very high0 Ų022.6 Ų22.60%010%0.103CC..EExtended strand (participates in β ladder)trans-122127.9177.7-55-171.7-175.700111.1L120 L123 A124 I167 V168 K169 I237 I270L120-M239 HydrophobicContact CB-SD 4.28Å; L120-M239 HydrophobicContact CD2-CB 4.37Å; L120-M239 HydrophobicContact CD2-CG 4.41Å; L120-M239 HydrophobicContact CD2-SD 3.89Å; L123-M239 VanDerWaalsContact C-CE 3.43Å; L123-M239 HydrophobicContact CB-CE 3.74Å; A124-M239 HydrophobicContact CB-CE 3.8Å; A124-M239 HydrophobicContact CB-SD 3.83Å; I167-M239 PolarHBondContact O-N 2.87Å; V168-M239 WeakPolarHBondContact CA-O 3.49Å; V168-M239 HydrophobicContact CB-CB 4.39Å; V168-M239 HydrophobicContact CG1-CB 4.21Å; V168-M239 HydrophobicContact CG2-CB 4.11Å; V168-M239 HydrophobicContact CG2-CG 4.35Å; V168-M239 HydrophobicContact CG2-SD 4.02Å; K169-M239 PolarHBondContact N-O 2.86Å; I237-M239 HydrophobicContact CG2-CE 3.37Å; I237-M239 HydrophobicContact CG2-CG 4.07Å; M239-I270 CarbonylContact C-O 3.52Å; M239-I270 WeakPolarHBondContact CA-O 3.42Å; M239-I270 HydrophobicContact CE-CD1 3.95Å; M239-I270 HydrophobicContact CG-CB 4.41Å; M239-I270 HydrophobicContact CG-CD1 4.42Å
240F95.1Very high90.5Very high0 Ų024.9 Ų24.90%011%0.112CC..EExtended strand (participates in β ladder)trans-116.9108.7177.4-61.2-86.8000110K169 I227 V230 F238 P243 I259 L262 I269 I270 V271 V272K169-F240 HydrophobicContact CB-CD1 4.09Å; I227-F240 HydrophobicContact CG2-CE1 4.22Å; V230-F240 HydrophobicContact CB-CE1 4.09Å; V230-F240 HydrophobicContact CB-CZ 4.48Å; V230-F240 HydrophobicContact CG1-CE1 3.68Å; V230-F240 HydrophobicContact CG1-CZ 3.68Å; F238-F240 HydrophobicContact CB-CE2 3.89Å; F238-F240 HydrophobicContact CB-CZ 4.49Å; F240-P243 HydrophobicContact CB-CB 4.24Å; F240-P243 HydrophobicContact CB-CG 3.86Å; F240-I259 HydrophobicContact CB-CD1 4.48Å; F240-I259 HydrophobicContact CD1-CD1 3.93Å; F240-I259 HydrophobicContact CD1-CG1 4.15Å; F240-I259 HydrophobicContact CD2-CD1 4.33Å; F240-I259 HydrophobicContact CD2-CG1 4.31Å; F240-I259 HydrophobicContact CD2-CG2 3.88Å; F240-I259 HydrophobicContact CE1-CD1 4.23Å; F240-I259 HydrophobicContact CE1-CG1 3.93Å; F240-I259 HydrophobicContact CE2-CB 4.47Å; F240-I259 HydrophobicContact CE2-CG1 4.1Å; F240-I259 HydrophobicContact CE2-CG2 3.75Å; F240-I259 HydrophobicContact CG-CD1 3.99Å; F240-I259 HydrophobicContact CG-CG1 4.34Å; F240-I259 HydrophobicContact CZ-CG1 3.91Å; F240-I259 HydrophobicContact CZ-CG2 4.35Å; F240-L262 HydrophobicContact CE2-CD1 4.1Å; F240-L262 HydrophobicContact CZ-CD1 3.79Å; F240-I269 HydrophobicContact CD2-CG2 4.46Å; F240-I269 HydrophobicContact CE2-CG2 4.38Å; F240-I270 PolarHBondContact N-O 3.25Å; F240-V271 HydrophobicContact CB-CG1 4.46Å; F240-V271 HydrophobicContact CB-CG2 4.39Å; F240-V271 HydrophobicContact CD2-CG2 4.3Å; F240-V271 WeakPolarHBondContact O-CA 3.47Å; F240-V272 PolarHBondContact O-N 3Å
241D91.8Very high90.3Very high11 Ų1125.9 Ų25.96%0.05912%0.116CC..EExtended strand (participates in β ladder)trans-93.8107.1174-155.8-7.5000109.7S117 L120 K169 Q171S117-D241 PolarHBondContact OG-OD2 3.25Å; L120-D241 HydrophobicContact CD1-CB 3.91Å; K169-D241 WeakPolarHBondContact CD-O 3.41Å; K169-D241 PolarHBondContact NZ-O 2.74Å; K169-D241 PolarHBondContact O-N 3.35Å; Q171-D241 HydrophobicContact CB-CB 4.24Å
242E89.6Confident90.2Very high25 Ų2526.7 Ų26.712%0.11712%0.119CC..SBendtrans50.765.3-176.5-61.7178.5-155.900113.8K169 Q171 Q223 S244 S245 V272 H274K169-E242 PolarHBondContact NZ-O 3.18Å; Q171-E242 HydrophobicContact CG-CG 4.48Å; Q171-E242 PolarHBondContact NE2-OE1 2.66Å; Q223-E242 PolarHBondContact NE2-O 3.2Å; E242-S244 VanDerWaalsContact C-N 3.29Å; E242-S244 PolarHBondContact O-N 3.49Å; E242-S245 PolarHBondContact OE2-OG 3.3Å; E242-V272 VanDerWaalsContact CA-O 3.29Å; E242-V272 WeakPolarHBondContact CA-O 3.39Å; E242-V272 PolarHBondContact N-O 2.76Å; E242-H274 IonicContact OE1-CD2 2.72Å; E242-H274 PolarHBondContact OE1-CD2 3.16Å; E242-H274 IonicContact OE1-NE2 3.17Å; E242-H274 PolarHBondContact OE1-NE2 2.75Å
243P92.1Very high89.9Confident3 Ų327.3 Ų27.32%0.01912%0.122CC..THydrogen-bonded Turntrans-66-21.5176.423.9-31000114.6Q223 I227 F240 L247 I259 V271 V272 E273Q223-P243 PolarHBondContact NE2-O 2.73Å; I227-P243 HydrophobicContact CD1-CB 3.94Å; I227-P243 HydrophobicContact CG1-CB 4.39Å; F240-P243 HydrophobicContact CB-CB 4.24Å; F240-P243 HydrophobicContact CB-CG 3.86Å; P243-L247 VanDerWaalsContact O-CD1 3.32Å; P243-L247 WeakPolarHBondContact O-CD1 3.5Å; P243-I259 HydrophobicContact CB-CD1 3.7Å; P243-I259 HydrophobicContact CG-CD1 3.89Å; P243-V271 HydrophobicContact CG-CG1 3.86Å; P243-V272 WeakPolarHBondContact CD-O 3.14Å; P243-E273 WeakPolarHBondContact CD-OE1 3.17Å; P243-E273 HydrophobicContact CG-CG 4.29Å; P243-E273 WeakPolarHBondContact CG-OE1 3.48Å
244S89.6Confident89.8Confident5 Ų530.6 Ų30.64%0.03513%0.133CC..THydrogen-bonded Turntrans-84.3-13.5-177.572.70000115.3E242 L247 R252 E273E242-S244 VanDerWaalsContact C-N 3.29Å; E242-S244 PolarHBondContact O-N 3.49Å; S244-L247 WeakPolarHBondContact O-CB 3.28Å; S244-L247 PolarHBondContact O-N 2.77Å; S244-R252 PolarHBondContact O-NE 3Å; S244-E273 WeakPolarHBondContact CA-OE1 3.21Å; S244-E273 WeakPolarHBondContact CB-OE1 3.29Å; S244-E273 WeakPolarHBondContact CB-OE2 3.23Å; S244-E273 PolarHBondContact N-OE1 2.87Å; S244-E273 PolarHBondContact OG-OE1 2.96Å; S244-E273 PolarHBondContact OG-OE2 3.28Å
245S85.6Confident90Very high23 Ų2321.4 Ų21.416%0.16110%0.099CC..THydrogen-bonded Turntrans-59.4138.4-175.6-68.90000112.3Q223 E242 L247Q223-S245 WeakPolarHBondContact CG-O 3.38Å; E242-S245 PolarHBondContact OE2-OG 3.3Å; S245-L247 PolarHBondContact O-N 3.4Å
246Y81.7Confident90Very high81 Ų8121.2 Ų21.232%0.31810%0.097SC..THydrogen-bonded Turntrans64.1-4.3-176.9-50-76.4000116.9V173 N381 Y491V173-Y246 HydrophobicContact CG2-CD2 4.07Å; V173-Y246 HydrophobicContact CG2-CE2 3.93Å; Y246-N381 PolarHBondContact O-ND2 2.92Å; Y246-Y491 HydrophobicContact CE1-CE1 4.42Å; Y246-Y491 WeakPolarHBondContact CE1-OH 3.31Å; Y246-Y491 WeakPolarHBondContact OH-CE1 3.42Å; Y246-Y491 PolarHBondContact OH-OH 2.81Å
247L87.8Confident89.9Confident1 Ų120.7 Ų20.71%0.00510%0.096CC..  trans-85143.6178.8-58.4-175.3000110.5G220 Q223 R224 I227 P243 S244 S245 Q251 R252 A255G220-L247 WeakPolarHBondContact O-CD2 3.44Å; Q223-L247 HydrophobicContact CB-CD2 4.01Å; Q223-L247 HydrophobicContact CG-CD1 4.18Å; Q223-L247 HydrophobicContact CG-CD2 3.98Å; Q223-L247 HydrophobicContact CG-CG 3.99Å; R224-L247 HydrophobicContact CG-CD2 3.74Å; I227-L247 HydrophobicContact CD1-CD1 4.44Å; P243-L247 VanDerWaalsContact O-CD1 3.32Å; P243-L247 WeakPolarHBondContact O-CD1 3.5Å; S244-L247 WeakPolarHBondContact O-CB 3.28Å; S244-L247 PolarHBondContact O-N 2.77Å; S245-L247 PolarHBondContact O-N 3.4Å; L247-Q251 HydrophobicContact CB-CB 3.9Å; L247-Q251 HydrophobicContact CD1-CB 4.46Å; L247-Q251 HydrophobicContact CD2-CB 4.18Å; L247-Q251 HydrophobicContact CG-CB 4.39Å; L247-R252 HydrophobicContact CB-CG 3.62Å; L247-R252 PolarHBondContact O-NE 3Å; L247-R252 PolarHBondContact O-NH2 3.21Å; L247-A255 HydrophobicContact CD1-CB 3.97Å
248D85.1Confident89.8Confident1 Ų120.7 Ų20.71%0.00510%0.096CC..  trans-71.8173.316466.346.2000111.2K250 Q251 R252 N381D248-K250 VanDerWaalsContact C-N 3.33Å; D248-K250 PolarHBondContact O-N 3.24Å; D248-K250 WeakPolarHBondContact OD1-CB 3.17Å; D248-K250 PolarHBondContact OD1-N 2.86Å; D248-Q251 PolarHBondContact O-N 3.09Å; D248-Q251 WeakPolarHBondContact OD1-CB 3.09Å; D248-Q251 VanDerWaalsContact OD1-CG 3.3Å; D248-Q251 WeakPolarHBondContact OD1-CG 3.47Å; D248-Q251 PolarHBondContact OD1-N 2.89Å; D248-R252 WeakPolarHBondContact O-CB 3.3Å; D248-R252 VanDerWaalsContact O-CG 3.26Å; D248-R252 WeakPolarHBondContact O-CG 3.13Å; D248-R252 PolarHBondContact O-N 3.12Å; D248-N381 HydrophobicContact CB-CB 4.25Å; D248-N381 PolarHBondContact N-ND2 3.04Å; D248-N381 PolarHBondContact OD2-N 3.29Å
249V84.8Confident89.7Confident5 Ų520.6 Ų20.63%0.0310%0.096CC..Hα-helixtrans-54.8-45.7-176.5172.70000112.9R252 L253 H520 F522 F558 L562V249-R252 PolarHBondContact O-N 3.02Å; V249-L253 HydrophobicContact CG1-CD1 4.38Å; V249-L253 WeakPolarHBondContact O-CG 3.48Å; V249-L253 PolarHBondContact O-N 2.97Å; V249-H520 WeakPolarHBondContact CG2-O 3.35Å; V249-F522 HydrophobicContact CB-CE2 4.42Å; V249-F522 HydrophobicContact CB-CZ 4.31Å; V249-F522 HydrophobicContact CG1-CE1 4.21Å; V249-F522 HydrophobicContact CG1-CE2 3.39Å; V249-F522 HydrophobicContact CG1-CZ 3.19Å; V249-F522 HydrophobicContact CG2-CE2 4.21Å; V249-F522 HydrophobicContact CG2-CZ 4.14Å; V249-F558 HydrophobicContact CB-CE1 4.36Å; V249-F558 HydrophobicContact CB-CZ 4.03Å; V249-F558 HydrophobicContact CG1-CE1 4.17Å; V249-F558 HydrophobicContact CG1-CZ 4.23Å; V249-F558 HydrophobicContact CG2-CE1 4.12Å; V249-F558 HydrophobicContact CG2-CZ 3.99Å; V249-L562 HydrophobicContact CB-CD1 4.26Å; V249-L562 HydrophobicContact CG1-CD1 3.42Å; V249-L562 VanDerWaalsContact CG1-CD1 3.42Å
250K85.4Confident89.5Confident61 Ų6122.9 Ų22.927%0.26510%0.104SC..Hα-helixtrans-68.5-44.7-177.7-173.2174.2179.5-179.10111D248 L253 R254 E380 L562D248-K250 VanDerWaalsContact C-N 3.33Å; D248-K250 PolarHBondContact O-N 3.24Å; D248-K250 WeakPolarHBondContact OD1-CB 3.17Å; D248-K250 PolarHBondContact OD1-N 2.86Å; K250-L253 PolarHBondContact O-N 3.48Å; K250-R254 PolarHBondContact O-N 3.13Å; K250-E380 HydrophobicContact CB-CG 4.43Å; K250-E380 VanDerWaalsContact CD-CD 3.45Å; K250-E380 HydrophobicContact CD-CG 4.33Å; K250-E380 WeakPolarHBondContact CD-OE1 3.35Å; K250-E380 WeakPolarHBondContact CE-OE1 3.47Å; K250-E380 IonicContact NZ-OE1 3.67Å; K250-E380 PolarHBondContact NZ-OE1 2.97Å; K250-E380 IonicContact NZ-OE2 2.72Å; K250-E380 PolarHBondContact NZ-OE2 3.28Å; K250-L562 HydrophobicContact CB-CD2 3.67Å; K250-L562 HydrophobicContact CD-CD2 4.14Å; K250-L562 HydrophobicContact CG-CD2 4.08Å
251Q89.6Confident89.3Confident27 Ų2726.3 Ų26.313%0.12613%0.128CC..Hα-helixtrans-63.9-40.1178.6-69.4174.5-8.100111.4L247 D248 L253 R254 A255L247-Q251 HydrophobicContact CB-CB 3.9Å; L247-Q251 HydrophobicContact CD1-CB 4.46Å; L247-Q251 HydrophobicContact CD2-CB 4.18Å; L247-Q251 HydrophobicContact CG-CB 4.39Å; D248-Q251 PolarHBondContact O-N 3.09Å; D248-Q251 WeakPolarHBondContact OD1-CB 3.09Å; D248-Q251 VanDerWaalsContact OD1-CG 3.3Å; D248-Q251 WeakPolarHBondContact OD1-CG 3.47Å; D248-Q251 PolarHBondContact OD1-N 2.89Å; Q251-L253 VanDerWaalsContact C-N 3.3Å; Q251-L253 PolarHBondContact O-N 2.96Å; Q251-R254 PolarHBondContact O-N 3.24Å; Q251-A255 VanDerWaalsContact O-CB 3.31Å; Q251-A255 WeakPolarHBondContact O-CB 3.5Å; Q251-A255 PolarHBondContact O-N 3.22Å
252R90.6Very high89.2Confident21 Ų2126.3 Ų26.38%0.07913%0.128CC..Hα-helixtrans-57.4-43.7174.1-74.5179-164.3179.311.3111.7S244 L247 D248 V249 A255 A256 D275 V278 H520S244-R252 PolarHBondContact O-NE 3Å; L247-R252 HydrophobicContact CB-CG 3.62Å; L247-R252 PolarHBondContact O-NE 3Å; L247-R252 PolarHBondContact O-NH2 3.21Å; D248-R252 WeakPolarHBondContact O-CB 3.3Å; D248-R252 VanDerWaalsContact O-CG 3.26Å; D248-R252 WeakPolarHBondContact O-CG 3.13Å; D248-R252 PolarHBondContact O-N 3.12Å; V249-R252 PolarHBondContact O-N 3.02Å; R252-A255 PolarHBondContact O-N 3.33Å; R252-A256 WeakPolarHBondContact O-CB 3.1Å; R252-A256 PolarHBondContact O-N 3.49Å; R252-D275 IonicContact CZ-OD2 3.02Å; R252-D275 IonicContact NH1-OD2 3.56Å; R252-D275 PolarHBondContact NH1-OD2 2.69Å; R252-V278 HydrophobicContact CB-CG2 3.99Å; R252-V278 HydrophobicContact CG-CG2 4.44Å; R252-H520 PolarHBondContact NH1-O 3.46Å
253L87Confident89.4Confident13 Ų1327.8 Ų27.87%0.06814%0.136CC..Hα-helixtrans-74.4-39.3-177.6-67.4170.7000112.3V249 K250 Q251 A255 A256 V257 I564 I577V249-L253 HydrophobicContact CG1-CD1 4.38Å; V249-L253 WeakPolarHBondContact O-CG 3.48Å; V249-L253 PolarHBondContact O-N 2.97Å; K250-L253 PolarHBondContact O-N 3.48Å; Q251-L253 VanDerWaalsContact C-N 3.3Å; Q251-L253 PolarHBondContact O-N 2.96Å; L253-A255 VanDerWaalsContact C-N 3.34Å; L253-A255 PolarHBondContact O-N 2.85Å; L253-A256 WeakPolarHBondContact O-CB 3.25Å; L253-A256 PolarHBondContact O-N 2.99Å; L253-A256 VanDerWaalsContact O-N 3.14Å; L253-V257 VanDerWaalsContact O-CG2 3.27Å; L253-V257 WeakPolarHBondContact O-CG2 3.38Å; L253-V257 PolarHBondContact O-N 2.9Å; L253-I564 HydrophobicContact CD1-CD1 3.09Å; L253-I564 HydrophobicContact CD1-CG1 3.73Å; L253-I564 HydrophobicContact CD1-CG2 4.48Å; L253-I564 HydrophobicContact CG-CD1 4.41Å; L253-I577 HydrophobicContact CD2-CD1 3.9Å
254R90.1Very high89.3Confident101 Ų10129 Ų2938%0.38115%0.145SC..Hα-helixtrans-59.7-44.4170.4-76.5178.5171.5-164.7-1.4112Q203 K250 Q251 A256 V257 T258Q203-R254 WeakPolarHBondContact O-CB 3.48Å; Q203-R254 WeakPolarHBondContact O-CD 3.48Å; K250-R254 PolarHBondContact O-N 3.13Å; Q251-R254 PolarHBondContact O-N 3.24Å; R254-A256 VanDerWaalsContact C-N 3.3Å; R254-A256 PolarHBondContact O-N 2.84Å; R254-V257 PolarHBondContact O-N 3.45Å; R254-T258 WeakPolarHBondContact O-CB 2.76Å; R254-T258 PolarHBondContact O-N 2.88Å; R254-T258 PolarHBondContact O-OG1 2.88Å
255A93.3Very high89.3Confident2 Ų233.5 Ų33.52%0.01717%0.174CC..Hα-helixtrans-59-43.6172.700000111.5L204 I227 L247 Q251 R252 L253 T258 I259L204-A255 HydrophobicContact CD2-CB 4.19Å; I227-A255 HydrophobicContact CD1-CB 3.84Å; L247-A255 HydrophobicContact CD1-CB 3.97Å; Q251-A255 VanDerWaalsContact O-CB 3.31Å; Q251-A255 WeakPolarHBondContact O-CB 3.5Å; Q251-A255 PolarHBondContact O-N 3.22Å; R252-A255 PolarHBondContact O-N 3.33Å; L253-A255 VanDerWaalsContact C-N 3.34Å; L253-A255 PolarHBondContact O-N 2.85Å; A255-T258 PolarHBondContact O-N 3.14Å; A255-I259 VanDerWaalsContact O-CG1 3.28Å; A255-I259 WeakPolarHBondContact O-CG1 3.15Å; A255-I259 PolarHBondContact O-N 2.9Å
256A91.9Very high89.5Confident2 Ų238.4 Ų38.42%0.01720%0.198CC..Hα-helixtrans-64.7-43.4179.200000113.1R252 L253 R254 T258 I259 R260 V278 Y281 L282R252-A256 WeakPolarHBondContact O-CB 3.1Å; R252-A256 PolarHBondContact O-N 3.49Å; L253-A256 WeakPolarHBondContact O-CB 3.25Å; L253-A256 PolarHBondContact O-N 2.99Å; L253-A256 VanDerWaalsContact O-N 3.14Å; R254-A256 VanDerWaalsContact C-N 3.3Å; R254-A256 PolarHBondContact O-N 2.84Å; A256-T258 VanDerWaalsContact C-N 3.34Å; A256-I259 PolarHBondContact O-N 2.9Å; A256-R260 WeakPolarHBondContact O-CG 3.19Å; A256-R260 PolarHBondContact O-N 3.42Å; A256-V278 HydrophobicContact CB-CG1 4.41Å; A256-Y281 HydrophobicContact CB-CD1 3.65Å; A256-Y281 HydrophobicContact CB-CE1 3.92Å; A256-L282 VanDerWaalsContact CA-CD2 3.47Å; A256-L282 HydrophobicContact CB-CD1 4.46Å; A256-L282 HydrophobicContact CB-CD2 3.61Å; A256-L282 HydrophobicContact CB-CG 3.78Å; A256-L282 WeakPolarHBondContact O-CD2 3.42Å
257V89.6Confident90Very high50 Ų5038.3 Ų38.330%0.30320%0.198SC..Hα-helixtrans-59.5-45.8173.2172.50000110.6L253 R254 I259 R260 S261 Y281L253-V257 VanDerWaalsContact O-CG2 3.27Å; L253-V257 WeakPolarHBondContact O-CG2 3.38Å; L253-V257 PolarHBondContact O-N 2.9Å; R254-V257 PolarHBondContact O-N 3.45Å; V257-I259 PolarHBondContact O-N 2.89Å; V257-R260 PolarHBondContact O-N 3.32Å; V257-S261 PolarHBondContact O-N 3.49Å; V257-Y281 HydrophobicContact CG2-CE1 4.12Å; V257-Y281 VanDerWaalsContact CG2-OH 3.22Å; V257-Y281 WeakPolarHBondContact CG2-OH 3.41Å
258T92.9Very high90.3Very high0 Ų039 Ų390%020%0.2CC..Hα-helixtrans-61.9-45.7179.9-51.40000110.9V200 Q203 L204 R254 A255 A256 R260 S261V200-T258 HydrophobicContact CG1-CG2 4.25Å; Q203-T258 PolarHBondContact OE1-OG1 3.28Å; L204-T258 HydrophobicContact CD1-CG2 4.25Å; L204-T258 HydrophobicContact CG-CG2 4.28Å; R254-T258 WeakPolarHBondContact O-CB 2.76Å; R254-T258 PolarHBondContact O-N 2.88Å; R254-T258 PolarHBondContact O-OG1 2.88Å; A255-T258 PolarHBondContact O-N 3.14Å; A256-T258 VanDerWaalsContact C-N 3.34Å; T258-R260 PolarHBondContact O-N 3.07Å; T258-S261 WeakPolarHBondContact O-CB 3.34Å; T258-S261 PolarHBondContact O-N 3.04Å; T258-S261 VanDerWaalsContact O-N 3.14Å; T258-S261 PolarHBondContact O-OG 2.93Å
259I94Very high90.9Very high1 Ų139 Ų391%0.00520%0.2CC..Hα-helixtrans-62.4-43177-68.4166.6000110.8I227 F240 P243 A255 A256 V257 S261 L262 I269 V271 L282I227-I259 HydrophobicContact CG2-CD1 4.49Å; I227-I259 HydrophobicContact CG2-CG1 4.21Å; F240-I259 HydrophobicContact CB-CD1 4.48Å; F240-I259 HydrophobicContact CD1-CD1 3.93Å; F240-I259 HydrophobicContact CD1-CG1 4.15Å; F240-I259 HydrophobicContact CD2-CD1 4.33Å; F240-I259 HydrophobicContact CD2-CG1 4.31Å; F240-I259 HydrophobicContact CD2-CG2 3.88Å; F240-I259 HydrophobicContact CE1-CD1 4.23Å; F240-I259 HydrophobicContact CE1-CG1 3.93Å; F240-I259 HydrophobicContact CE2-CB 4.47Å; F240-I259 HydrophobicContact CE2-CG1 4.1Å; F240-I259 HydrophobicContact CE2-CG2 3.75Å; F240-I259 HydrophobicContact CG-CD1 3.99Å; F240-I259 HydrophobicContact CG-CG1 4.34Å; F240-I259 HydrophobicContact CZ-CG1 3.91Å; F240-I259 HydrophobicContact CZ-CG2 4.35Å; P243-I259 HydrophobicContact CB-CD1 3.7Å; P243-I259 HydrophobicContact CG-CD1 3.89Å; A255-I259 VanDerWaalsContact O-CG1 3.28Å; A255-I259 WeakPolarHBondContact O-CG1 3.15Å; A255-I259 PolarHBondContact O-N 2.9Å; A256-I259 PolarHBondContact O-N 2.9Å; V257-I259 PolarHBondContact O-N 2.89Å; I259-S261 VanDerWaalsContact C-N 3.25Å; I259-S261 PolarHBondContact O-N 2.85Å; I259-L262 WeakPolarHBondContact O-CB 3.45Å; I259-L262 PolarHBondContact O-N 2.71Å; I259-L262 VanDerWaalsContact O-N 3.16Å; I259-I269 HydrophobicContact CG2-CG2 4.23Å; I259-V271 HydrophobicContact CG2-CG2 4.19Å; I259-L282 HydrophobicContact CB-CD2 3.99Å; I259-L282 HydrophobicContact CD1-CD2 4.46Å; I259-L282 HydrophobicContact CG2-CD2 3.99Å
260R91.8Very high91.4Very high48 Ų4838.8 Ų38.818%0.18120%0.199CC..Hα-helixtrans-66-26.5176.3-73.6-16771100.216113.1A256 V257 T258 L262 I263 Y281 L282 D284A256-R260 WeakPolarHBondContact O-CG 3.19Å; A256-R260 PolarHBondContact O-N 3.42Å; V257-R260 PolarHBondContact O-N 3.32Å; T258-R260 PolarHBondContact O-N 3.07Å; R260-L262 PolarHBondContact O-N 3.17Å; R260-I263 HydrophobicContact CB-CD1 4.12Å; R260-I263 HydrophobicContact CG-CD1 4.33Å; R260-I263 WeakPolarHBondContact O-CB 3.34Å; R260-I263 VanDerWaalsContact O-CD1 3.29Å; R260-I263 WeakPolarHBondContact O-CD1 3.28Å; R260-I263 WeakPolarHBondContact O-CG1 3.4Å; R260-I263 PolarHBondContact O-N 3.49Å; R260-I263 VanDerWaalsContact O-N 3.15Å; R260-Y281 WeakPolarHBondContact CD-O 3.28Å; R260-Y281 PolarHBondContact NH1-O 2.87Å; R260-L282 HydrophobicContact CG-CD2 4.2Å; R260-L282 PolarHBondContact NH1-O 3.48Å; R260-D284 IonicContact CZ-OD1 3.45Å; R260-D284 IonicContact NH1-OD1 3.21Å; R260-D284 PolarHBondContact NH1-OD1 2.92Å; R260-D284 VanDerWaalsContact NH1-OD1 3.09Å; R260-D284 IonicContact NH1-OD2 3.48Å; R260-D284 IonicContact NH2-OD1 2.74Å; R260-D284 PolarHBondContact NH2-OD1 2.85Å; R260-D284 IonicContact NH2-OD2 3.41Å; R260-D284 PolarHBondContact NH2-OD2 2.62Å
261S90.6Very high91.9Very high71 Ų7135.9 Ų35.950%0.49719%0.186SC..Hα-helixtrans-65.2-17.3175.381.10000113.3V257 T258 I259 I263V257-S261 PolarHBondContact O-N 3.49Å; T258-S261 WeakPolarHBondContact O-CB 3.34Å; T258-S261 PolarHBondContact O-N 3.04Å; T258-S261 VanDerWaalsContact O-N 3.14Å; T258-S261 PolarHBondContact O-OG 2.93Å; I259-S261 VanDerWaalsContact C-N 3.25Å; I259-S261 PolarHBondContact O-N 2.85Å; S261-I263 VanDerWaalsContact C-N 3.26Å; S261-I263 PolarHBondContact O-N 3.29Å
262L90.9Very high92.2Very high11 Ų1134.6 Ų34.66%0.05818%0.18CC..THydrogen-bonded Turntrans-75.9-11.8175.8-61.9176.6000113.5C231 F238 F240 I259 R260 S264 R267 I269C231-L262 HydrophobicContact CB-CD1 4.32Å; C231-L262 HydrophobicContact CB-CD2 4.18Å; F238-L262 HydrophobicContact CD1-CD1 3.97Å; F238-L262 HydrophobicContact CE1-CD1 4.31Å; F238-L262 HydrophobicContact CG-CD1 4.18Å; F240-L262 HydrophobicContact CE2-CD1 4.1Å; F240-L262 HydrophobicContact CZ-CD1 3.79Å; I259-L262 WeakPolarHBondContact O-CB 3.45Å; I259-L262 PolarHBondContact O-N 2.71Å; I259-L262 VanDerWaalsContact O-N 3.16Å; R260-L262 PolarHBondContact O-N 3.17Å; L262-S264 PolarHBondContact O-N 2.85Å; L262-R267 WeakPolarHBondContact O-CD 3.38Å; L262-R267 PolarHBondContact O-NH1 3.36Å; L262-I269 HydrophobicContact CB-CD1 3.88Å
263I92.3Very high92.2Very high56 Ų5633.7 Ų33.729%0.28718%0.177SC..  trans-58.8123.5-177.5-66.3166.9000109.7G103 V105 R260 S261 I269G103-I263 VanDerWaalsContact O-CG2 3.22Å; G103-I263 WeakPolarHBondContact O-CG2 3.38Å; V105-I263 HydrophobicContact CG2-CD1 3.71Å; V105-I263 HydrophobicContact CG2-CG1 3.8Å; R260-I263 HydrophobicContact CB-CD1 4.12Å; R260-I263 HydrophobicContact CG-CD1 4.33Å; R260-I263 WeakPolarHBondContact O-CB 3.34Å; R260-I263 VanDerWaalsContact O-CD1 3.29Å; R260-I263 WeakPolarHBondContact O-CD1 3.28Å; R260-I263 WeakPolarHBondContact O-CG1 3.4Å; R260-I263 PolarHBondContact O-N 3.49Å; R260-I263 VanDerWaalsContact O-N 3.15Å; S261-I263 VanDerWaalsContact C-N 3.26Å; S261-I263 PolarHBondContact O-N 3.29Å; I263-I269 HydrophobicContact CB-CD1 4.41Å; I263-I269 HydrophobicContact CG1-CD1 3.78Å
264S90.6Very high92.2Very high29 Ų2933.3 Ų33.320%0.20318%0.175CC..  trans-150.7153.5174.278.70000108.5G103 L262 D266 R267G103-S264 WeakPolarHBondContact CA-O 3.15Å; G103-S264 PolarHBondContact N-O 3.28Å; L262-S264 PolarHBondContact O-N 2.85Å; S264-D266 PolarHBondContact O-N 3.34Å; S264-R267 PolarHBondContact O-N 2.94Å; S264-R267 WeakPolarHBondContact OG-CB 3.35Å; S264-R267 WeakPolarHBondContact OG-CD 3.29Å; S264-R267 WeakPolarHBondContact OG-CG 3.23Å; S264-R267 PolarHBondContact OG-NE 3.09Å
265P89.4Confident92.2Very high100 Ų10028.6 Ų28.665%0.64916%0.157SC*.THydrogen-bonded Turntrans-58.5-20.8-171.323.7-34.9000114.6P102P102-P265 WeakPolarHBondContact CB-O 3.48Å
266D89.3Confident92Very high126 Ų12628.9 Ų28.967%0.67416%0.158SC*.THydrogen-bonded Turntrans-105.3-1.4-177.5-55.5-50.7000114S264S264-D266 PolarHBondContact O-N 3.34Å
267R92.9Very high91.7Very high79 Ų7928.8 Ų28.830%0.29816%0.158SC..  trans-102137-176.4-73.5172.2-169.1170.81.3111.9P102 G103 D236 F238 L262 S264P102-R267 CarbonylContact C-O 3.54Å; P102-R267 VanDerWaalsContact CA-O 3.32Å; P102-R267 WeakPolarHBondContact CA-O 3.27Å; G103-R267 PolarHBondContact N-O 3.43Å; D236-R267 WeakPolarHBondContact O-CA 3.31Å; F238-R267 HydrophobicContact CD2-CG 4.49Å; F238-R267 HydrophobicContact CE2-CG 4.02Å; L262-R267 WeakPolarHBondContact O-CD 3.38Å; L262-R267 PolarHBondContact O-NH1 3.36Å; S264-R267 PolarHBondContact O-N 2.94Å; S264-R267 WeakPolarHBondContact OG-CB 3.35Å; S264-R267 WeakPolarHBondContact OG-CD 3.29Å; S264-R267 WeakPolarHBondContact OG-CG 3.23Å; S264-R267 PolarHBondContact OG-NE 3.09Å
268Y95Very high91.8Very high15 Ų1526.7 Ų26.76%0.05915%0.145CC..EExtended strand (participates in β ladder)trans-95.2125.9170.6-61.1-88.8000109.6P100 P102 Y155 K158 L164 D236 I237 F238P100-Y268 HydrophobicContact CB-CD1 3.98Å; P100-Y268 HydrophobicContact CG-CD1 4.38Å; P102-Y268 HydrophobicContact CB-CD1 4.18Å; P102-Y268 HydrophobicContact CB-CE1 3.87Å; P102-Y268 HydrophobicContact CB-CE2 4.28Å; P102-Y268 HydrophobicContact CG-CE1 4.13Å; Y155-Y268 HydrophobicContact CD2-CD1 4.17Å; Y155-Y268 AromaticContact CD2-CE1 3.92Å; Y155-Y268 HydrophobicContact CD2-CE1 3.92Å; Y155-Y268 HydrophobicContact CE2-CD1 4.08Å; Y155-Y268 HydrophobicContact CE2-CD2 4.35Å; Y155-Y268 HydrophobicContact CE2-CE1 4.27Å; Y155-Y268 HydrophobicContact CE2-CG 4.1Å; K158-Y268 PolarHBondContact NZ-OH 3.43Å; L164-Y268 HydrophobicContact CD1-CE2 4.21Å; D236-Y268 PolarHBondContact O-N 2.71Å; I237-Y268 WeakPolarHBondContact CA-O 3.42Å; I237-Y268 HydrophobicContact CG1-CD2 4.02Å; I237-Y268 HydrophobicContact CG1-CG 4.37Å; F238-Y268 PolarHBondContact N-O 2.89Å
269I96.4Very high91.7Very high2 Ų226.7 Ų26.71%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-123.1121.9178.3-54.6175.1000109.2V105 L106 F238 F240 I259 L262 I263 V271V105-I269 HydrophobicContact CG1-CG2 4.14Å; V105-I269 HydrophobicContact CG2-CB 4.23Å; V105-I269 HydrophobicContact CG2-CD1 4.33Å; V105-I269 HydrophobicContact CG2-CG2 4.12Å; L106-I269 PolarHBondContact N-O 3.37Å; F238-I269 HydrophobicContact CB-CG1 4.47Å; F238-I269 WeakPolarHBondContact O-CA 3.39Å; F240-I269 HydrophobicContact CD2-CG2 4.46Å; F240-I269 HydrophobicContact CE2-CG2 4.38Å; I259-I269 HydrophobicContact CG2-CG2 4.23Å; L262-I269 HydrophobicContact CB-CD1 3.88Å; I263-I269 HydrophobicContact CB-CD1 4.41Å; I263-I269 HydrophobicContact CG1-CD1 3.78Å; I269-V271 HydrophobicContact CG2-CG2 4.23Å
270I96.5Very high91.6Very high0 Ų026.9 Ų26.90%015%0.146CC..EExtended strand (participates in β ladder)trans-122.4128.1178.5-52.7168.7000108.8P100 L106 L108 L120 L123 F238 M239 F240P100-I270 HydrophobicContact CB-CD1 4Å; P100-I270 HydrophobicContact CB-CG1 4.14Å; P100-I270 HydrophobicContact CG-CD1 4.49Å; L106-I270 WeakPolarHBondContact O-CA 3.38Å; L108-I270 HydrophobicContact CD1-CG2 3.8Å; L108-I270 HydrophobicContact CG-CG2 4.07Å; L120-I270 HydrophobicContact CD2-CB 4.31Å; L120-I270 HydrophobicContact CD2-CG2 3.64Å; L123-I270 HydrophobicContact CB-CD1 4.34Å; L123-I270 HydrophobicContact CD1-CD1 3.69Å; F238-I270 PolarHBondContact O-N 2.8Å; M239-I270 CarbonylContact C-O 3.52Å; M239-I270 WeakPolarHBondContact CA-O 3.42Å; M239-I270 HydrophobicContact CE-CD1 3.95Å; M239-I270 HydrophobicContact CG-CB 4.41Å; M239-I270 HydrophobicContact CG-CD1 4.42Å; F240-I270 PolarHBondContact N-O 3.25Å
271V95.9Very high91.5Very high0 Ų025.7 Ų25.70%014%0.141CC..EExtended strand (participates in β ladder)trans-124.6125.8-179.7-176.50000109V105 L106 G107 L108 F240 P243 I259 I269 E273 L282V105-V271 HydrophobicContact CG1-CB 4.47Å; V105-V271 HydrophobicContact CG1-CG2 3.7Å; L106-V271 PolarHBondContact O-N 3.42Å; G107-V271 CarbonylContact C-O 3.56Å; G107-V271 WeakPolarHBondContact CA-O 3.43Å; L108-V271 PolarHBondContact N-O 3.32Å; F240-V271 HydrophobicContact CB-CG1 4.46Å; F240-V271 HydrophobicContact CB-CG2 4.39Å; F240-V271 HydrophobicContact CD2-CG2 4.3Å; F240-V271 WeakPolarHBondContact O-CA 3.47Å; P243-V271 HydrophobicContact CG-CG1 3.86Å; I259-V271 HydrophobicContact CG2-CG2 4.19Å; I269-V271 HydrophobicContact CG2-CG2 4.23Å; V271-E273 HydrophobicContact CG1-CG 3.76Å; V271-L282 HydrophobicContact CG1-CD1 3.63Å
272V94.1Very high91.5Very high0 Ų022.4 Ų22.40%012%0.118CC..EExtended strand (participates in β ladder)trans-98.7122.8166.9177.40000107.9L108 K116 L120 F240 E242 P243L108-V272 HydrophobicContact CB-CG2 3.94Å; L108-V272 HydrophobicContact CD1-CG2 3.83Å; L108-V272 HydrophobicContact CG-CG2 4.32Å; K116-V272 HydrophobicContact CB-CG1 4.23Å; K116-V272 HydrophobicContact CB-CG2 4.42Å; K116-V272 HydrophobicContact CD-CG1 3.92Å; L120-V272 HydrophobicContact CD1-CG2 3.58Å; L120-V272 HydrophobicContact CD2-CG2 4.2Å; L120-V272 HydrophobicContact CG-CG2 3.97Å; F240-V272 PolarHBondContact O-N 3Å; E242-V272 VanDerWaalsContact CA-O 3.29Å; E242-V272 WeakPolarHBondContact CA-O 3.39Å; E242-V272 PolarHBondContact N-O 2.76Å; P243-V272 WeakPolarHBondContact CD-O 3.14Å
273E91.4Very high91.6Very high1 Ų121.9 Ų21.91%0.00512%0.116CC..  trans-137.3151.1179.6-90.9-63.3164.100112.6L108 P243 S244 V271 D275 V278 L279 L282L108-E273 PolarHBondContact O-N 3.48Å; P243-E273 WeakPolarHBondContact CD-OE1 3.17Å; P243-E273 HydrophobicContact CG-CG 4.29Å; P243-E273 WeakPolarHBondContact CG-OE1 3.48Å; S244-E273 WeakPolarHBondContact CA-OE1 3.21Å; S244-E273 WeakPolarHBondContact CB-OE1 3.29Å; S244-E273 WeakPolarHBondContact CB-OE2 3.23Å; S244-E273 PolarHBondContact N-OE1 2.87Å; S244-E273 PolarHBondContact OG-OE1 2.96Å; S244-E273 PolarHBondContact OG-OE2 3.28Å; V271-E273 HydrophobicContact CG1-CG 3.76Å; E273-D275 PolarHBondContact OE2-N 3.11Å; E273-V278 HydrophobicContact CG-CG1 4.5Å; E273-L279 HydrophobicContact CB-CB 4.04Å; E273-L279 HydrophobicContact CB-CD1 3.92Å; E273-L282 HydrophobicContact CG-CD1 4.21Å
274H88.1Confident91.7Very high6 Ų621.1 Ų21.13%0.02811%0.112CC..SBendtrans-109.4-21.9173.3-78.2-68.2000112.6G110 N112 K116 E242 L276 D493 S494G110-H274 PolarHBondContact O-CE1 2.82Å; G110-H274 VanDerWaalsContact O-CE1 3.32Å; N112-H274 PolarHBondContact OD1-CE1 2.99Å; N112-H274 PolarHBondContact OD1-NE2 3.49Å; K116-H274 PolarHBondContact NZ-CE1 3.49Å; K116-H274 PolarHBondContact NZ-NE2 3.43Å; E242-H274 IonicContact OE1-CD2 2.72Å; E242-H274 PolarHBondContact OE1-CD2 3.16Å; E242-H274 IonicContact OE1-NE2 3.17Å; E242-H274 PolarHBondContact OE1-NE2 2.75Å; H274-L276 PolarHBondContact O-N 3.48Å; H274-D493 WeakPolarHBondContact CE1-CB 3.34Å; H274-D493 WeakPolarHBondContact ND1-CB 3.46Å; H274-S494 WeakPolarHBondContact O-CB 3.38Å
275D88.8Confident91.9Very high2 Ų222.4 Ų22.41%0.01111%0.114CC..  trans-81.1106.9171.9-174.8-33.5000109R252 E273 S277 V278 L279R252-D275 IonicContact CZ-OD2 3.02Å; R252-D275 IonicContact NH1-OD2 3.56Å; R252-D275 PolarHBondContact NH1-OD2 2.69Å; E273-D275 PolarHBondContact OE2-N 3.11Å; D275-S277 PolarHBondContact O-N 2.97Å; D275-S277 WeakPolarHBondContact OD1-CA 3.32Å; D275-S277 WeakPolarHBondContact OD1-CB 3.4Å; D275-S277 PolarHBondContact OD1-N 2.99Å; D275-V278 HydrophobicContact CB-CB 4.05Å; D275-V278 HydrophobicContact CB-CG2 4.06Å; D275-V278 PolarHBondContact O-N 3.46Å; D275-V278 PolarHBondContact OD1-N 3.43Å; D275-V278 VanDerWaalsContact OD1-N 3.07Å; D275-L279 VanDerWaalsContact O-CB 3.31Å; D275-L279 WeakPolarHBondContact O-CB 3.21Å; D275-L279 PolarHBondContact O-N 3.13Å
276L88.6Confident92.2Very high8 Ų817.6 Ų17.64%0.0428%0.083CC..Hα-helixtrans-65.4-27.5-177.4-58.5177.8000112.3V109 H274 L279 D280 I309 F312 L313 I523V109-L276 HydrophobicContact CG2-CD2 3.77Å; H274-L276 PolarHBondContact O-N 3.48Å; L276-L279 HydrophobicContact CD2-CD2 4.4Å; L276-D280 WeakPolarHBondContact O-CB 3.4Å; L276-D280 PolarHBondContact O-N 3.23Å; L276-I309 HydrophobicContact CD1-CG2 4.31Å; L276-F312 HydrophobicContact CD2-CD1 4.31Å; L276-F312 HydrophobicContact CD2-CE1 4.46Å; L276-L313 HydrophobicContact CD1-CD2 3.86Å; L276-L313 HydrophobicContact CD1-CG 4.36Å; L276-I523 HydrophobicContact CB-CD1 3.69Å; L276-I523 HydrophobicContact CD1-CD1 4.12Å; L276-I523 HydrophobicContact CG-CD1 4.33Å
277S87.6Confident92.4Very high0 Ų011.6 Ų11.60%05%0.051CC..Hα-helixtrans-72.2-43.2178.1-620000110.8D275 D280 Y281D275-S277 PolarHBondContact O-N 2.97Å; D275-S277 WeakPolarHBondContact OD1-CA 3.32Å; D275-S277 WeakPolarHBondContact OD1-CB 3.4Å; D275-S277 PolarHBondContact OD1-N 2.99Å; S277-D280 PolarHBondContact O-N 3.26Å; S277-Y281 PolarHBondContact O-N 3.32Å
278V90.3Very high92.4Very high6 Ų67.9 Ų7.94%0.0364%0.037CC..Hα-helixtrans-67.5-41.2174.5176.80000111R252 A256 E273 D275 D280 Y281 L282R252-V278 HydrophobicContact CB-CG2 3.99Å; R252-V278 HydrophobicContact CG-CG2 4.44Å; A256-V278 HydrophobicContact CB-CG1 4.41Å; E273-V278 HydrophobicContact CG-CG1 4.5Å; D275-V278 HydrophobicContact CB-CB 4.05Å; D275-V278 HydrophobicContact CB-CG2 4.06Å; D275-V278 PolarHBondContact O-N 3.46Å; D275-V278 PolarHBondContact OD1-N 3.43Å; D275-V278 VanDerWaalsContact OD1-N 3.07Å; V278-D280 VanDerWaalsContact C-N 3.33Å; V278-D280 PolarHBondContact O-N 2.81Å; V278-Y281 PolarHBondContact O-N 3.43Å; V278-L282 HydrophobicContact CG1-CD1 3.64Å; V278-L282 HydrophobicContact CG1-CG 4.12Å; V278-L282 WeakPolarHBondContact O-CB 3.07Å; V278-L282 WeakPolarHBondContact O-CG 3.43Å; V278-L282 PolarHBondContact O-N 3.23Å
279L91.9Very high92.3Very high0 Ų07.3 Ų7.30%04%0.035CC..Hα-helixtrans-59.8-40.9176.8-177.372.1000112.3V109 E273 D275 L276 Y281 L282 S283 I286 I309V109-L279 HydrophobicContact CB-CD2 3.74Å; V109-L279 HydrophobicContact CG1-CD2 4.38Å; V109-L279 HydrophobicContact CG2-CD2 4.17Å; E273-L279 HydrophobicContact CB-CB 4.04Å; E273-L279 HydrophobicContact CB-CD1 3.92Å; D275-L279 VanDerWaalsContact O-CB 3.31Å; D275-L279 WeakPolarHBondContact O-CB 3.21Å; D275-L279 PolarHBondContact O-N 3.13Å; L276-L279 HydrophobicContact CD2-CD2 4.4Å; L279-Y281 VanDerWaalsContact C-N 3.32Å; L279-Y281 PolarHBondContact O-N 3.09Å; L279-L282 PolarHBondContact O-N 3.41Å; L279-S283 VanDerWaalsContact CD1-OG 3.27Å; L279-S283 WeakPolarHBondContact CD1-OG 3.43Å; L279-S283 VanDerWaalsContact O-CB 3.28Å; L279-S283 WeakPolarHBondContact O-CB 3.4Å; L279-S283 PolarHBondContact O-N 2.93Å; L279-S283 PolarHBondContact O-OG 3.19Å; L279-I286 HydrophobicContact CD2-CD1 3.8Å; L279-I286 HydrophobicContact CD2-CG1 4.47Å; L279-I286 HydrophobicContact CG-CD1 3.81Å; L279-I286 HydrophobicContact CG-CG1 4.41Å; L279-I309 HydrophobicContact CD2-CG1 4.5Å
280D90.4Very high91.9Very high4 Ų47.5 Ų7.52%0.0214%0.036CC..Hα-helixtrans-63.4-38.6177.3-161.4-34.1000111.9L276 S277 V278 V305 I309 R574 R576L276-D280 WeakPolarHBondContact O-CB 3.4Å; L276-D280 PolarHBondContact O-N 3.23Å; S277-D280 PolarHBondContact O-N 3.26Å; V278-D280 VanDerWaalsContact C-N 3.33Å; V278-D280 PolarHBondContact O-N 2.81Å; D280-V305 HydrophobicContact CB-CG1 4.07Å; D280-V305 VanDerWaalsContact OD1-CG1 3.25Å; D280-V305 WeakPolarHBondContact OD1-CG1 3.24Å; D280-I309 HydrophobicContact CB-CD1 3.8Å; D280-R574 IonicContact OD2-CZ 2.94Å; D280-R574 VanDerWaalsContact OD2-CZ 3.29Å; D280-R574 IonicContact OD2-NH1 3.55Å; D280-R574 PolarHBondContact OD2-NH1 2.9Å; D280-R574 IonicContact OD2-NH2 3.61Å; D280-R574 PolarHBondContact OD2-NH2 3.45Å; D280-R576 IonicContact OD1-CZ 3.39Å; D280-R576 VanDerWaalsContact OD1-CZ 3.32Å; D280-R576 IonicContact OD1-NE 3.73Å; D280-R576 PolarHBondContact OD1-NE 3.2Å; D280-R576 IonicContact OD1-NH2 3.41Å; D280-R576 PolarHBondContact OD1-NH2 3.1Å; D280-R576 WeakPolarHBondContact OD2-CD 3.4Å; D280-R576 WeakPolarHBondContact OD2-CG 3.48Å; D280-R576 IonicContact OD2-CZ 3.7Å; D280-R576 IonicContact OD2-NE 3.33Å; D280-R576 PolarHBondContact OD2-NE 3.44Å; D280-R576 VanDerWaalsContact OD2-NE 3.09Å
281Y89.5Confident91.4Very high24 Ų248.6 Ų8.69%0.0945%0.046CC..Hα-helixtrans-72-45.3176.9-177.4-86.5000112A256 V257 R260 S277 V278 L279 I577A256-Y281 HydrophobicContact CB-CD1 3.65Å; A256-Y281 HydrophobicContact CB-CE1 3.92Å; V257-Y281 HydrophobicContact CG2-CE1 4.12Å; V257-Y281 VanDerWaalsContact CG2-OH 3.22Å; V257-Y281 WeakPolarHBondContact CG2-OH 3.41Å; R260-Y281 WeakPolarHBondContact CD-O 3.28Å; R260-Y281 PolarHBondContact NH1-O 2.87Å; S277-Y281 PolarHBondContact O-N 3.32Å; V278-Y281 PolarHBondContact O-N 3.43Å; L279-Y281 VanDerWaalsContact C-N 3.32Å; L279-Y281 PolarHBondContact O-N 3.09Å; Y281-I577 HydrophobicContact CD2-CG2 3.83Å
282L91.8Very high90.8Very high1 Ų111.5 Ų11.51%0.0056%0.064CC..Hα-helixtrans-67.1-47.5-175.5-85.6176.1000113V105 A256 I259 R260 V271 E273 V278 L279V105-L282 VanDerWaalsContact CB-O 3.32Å; V105-L282 WeakPolarHBondContact CB-O 3.17Å; V105-L282 WeakPolarHBondContact CG1-O 3.09Å; A256-L282 VanDerWaalsContact CA-CD2 3.47Å; A256-L282 HydrophobicContact CB-CD1 4.46Å; A256-L282 HydrophobicContact CB-CD2 3.61Å; A256-L282 HydrophobicContact CB-CG 3.78Å; A256-L282 WeakPolarHBondContact O-CD2 3.42Å; I259-L282 HydrophobicContact CB-CD2 3.99Å; I259-L282 HydrophobicContact CD1-CD2 4.46Å; I259-L282 HydrophobicContact CG2-CD2 3.99Å; R260-L282 HydrophobicContact CG-CD2 4.2Å; R260-L282 PolarHBondContact NH1-O 3.48Å; V271-L282 HydrophobicContact CG1-CD1 3.63Å; E273-L282 HydrophobicContact CG-CD1 4.21Å; V278-L282 HydrophobicContact CG1-CD1 3.64Å; V278-L282 HydrophobicContact CG1-CG 4.12Å; V278-L282 WeakPolarHBondContact O-CB 3.07Å; V278-L282 WeakPolarHBondContact O-CG 3.43Å; V278-L282 PolarHBondContact O-N 3.23Å; L279-L282 PolarHBondContact O-N 3.41Å
283S93.7Very high90.2Very high1 Ų114.7 Ų14.71%0.0079%0.085CC..  trans-87.2157.1-163.1-43.10000111.9G107 L279 V305G107-S283 VanDerWaalsContact CA-OG 3.31Å; G107-S283 WeakPolarHBondContact CA-OG 3.22Å; L279-S283 VanDerWaalsContact CD1-OG 3.27Å; L279-S283 WeakPolarHBondContact CD1-OG 3.43Å; L279-S283 VanDerWaalsContact O-CB 3.28Å; L279-S283 WeakPolarHBondContact O-CB 3.4Å; L279-S283 PolarHBondContact O-N 2.93Å; L279-S283 PolarHBondContact O-OG 3.19Å; S283-V305 VanDerWaalsContact O-CG2 3.25Å; S283-V305 WeakPolarHBondContact O-CG2 3.2Å
284D93.3Very high89.7Confident40 Ų4018.6 Ų18.621%0.21411%0.112CC..SBendtrans-111.5-28.7166.5-55.4-57.5000110.6V105 R260 V305 K579V105-D284 PolarHBondContact N-OD2 3.41Å; V105-D284 VanDerWaalsContact N-OD2 3.14Å; V105-D284 PolarHBondContact O-N 2.82Å; R260-D284 IonicContact CZ-OD1 3.45Å; R260-D284 IonicContact NH1-OD1 3.21Å; R260-D284 PolarHBondContact NH1-OD1 2.92Å; R260-D284 VanDerWaalsContact NH1-OD1 3.09Å; R260-D284 IonicContact NH1-OD2 3.48Å; R260-D284 IonicContact NH2-OD1 2.74Å; R260-D284 PolarHBondContact NH2-OD1 2.85Å; R260-D284 IonicContact NH2-OD2 3.41Å; R260-D284 PolarHBondContact NH2-OD2 2.62Å; D284-V305 WeakPolarHBondContact O-CG2 3.2Å; D284-K579 IonicContact OD1-NZ 2.75Å; D284-K579 PolarHBondContact OD1-NZ 3.35Å
285F95.2Very high89.4Confident55 Ų5518.5 Ų18.524%0.24111%0.113CC..EExtended strand (participates in β ladder)trans-130.8152.5168.1-69.1-86.1000110.9E104 V105 L106 G107 P302 F303E104-F285 VanDerWaalsContact CD-CE2 3.43Å; E104-F285 WeakPolarHBondContact OE1-CE2 3.32Å; E104-F285 VanDerWaalsContact OE2-CD2 3.28Å; E104-F285 WeakPolarHBondContact OE2-CD2 3.39Å; E104-F285 WeakPolarHBondContact OE2-CE2 3.36Å; V105-F285 PolarHBondContact O-N 3.4Å; L106-F285 HydrophobicContact CD1-CB 4.14Å; G107-F285 PolarHBondContact N-O 3.19Å; F285-P302 HydrophobicContact CB-CB 4.35Å; F285-F303 CarbonylContact C-O 3.55Å; F285-F303 WeakPolarHBondContact CA-O 3.11Å
286I95Very high89.4Confident0 Ų019.8 Ų19.80%012%0.117CC..EExtended strand (participates in β ladder)trans-128.2132.2178.1-66.9176.1000110.4G107 V109 L279 F303 V305 I309G107-I286 CarbonylContact O-C 3.51Å; G107-I286 VanDerWaalsContact O-CA 3.28Å; G107-I286 WeakPolarHBondContact O-CA 3.42Å; V109-I286 HydrophobicContact CG1-CG2 3.79Å; L279-I286 HydrophobicContact CD2-CD1 3.8Å; L279-I286 HydrophobicContact CD2-CG1 4.47Å; L279-I286 HydrophobicContact CG-CD1 3.81Å; L279-I286 HydrophobicContact CG-CG1 4.41Å; I286-F303 PolarHBondContact N-O 3.01Å; I286-F303 PolarHBondContact O-N 2.9Å; I286-V305 HydrophobicContact CD1-CB 4.16Å; I286-V305 HydrophobicContact CD1-CG1 3.8Å; I286-V305 HydrophobicContact CD1-CG2 4.29Å; I286-V305 HydrophobicContact CG1-CG2 4.33Å; I286-I309 HydrophobicContact CD1-CD1 3.7Å; I286-I309 HydrophobicContact CD1-CG1 3.52Å
287C94.9Very high89.5Confident0 Ų019.4 Ų19.40%012%0.115CC..EExtended strand (participates in β ladder)trans-103.1128.5163.2-74.20000109.5G107 L108 V109 V299 T300G107-C287 PolarHBondContact O-N 3.11Å; L108-C287 HydrophobicContact CD2-CB 3.71Å; V109-C287 PolarHBondContact N-O 3.45Å; V109-C287 VanDerWaalsContact N-O 3.12Å; C287-V299 HydrophobicContact CB-CG1 3.89Å; C287-T300 PolarHBondContact SG-O 2.91Å
288C92.4Very high89.6Confident0 Ų019.4 Ų19.40%012%0.115CC..EExtended strand (participates in β ladder)trans-92.8134.8174.3-61.60000108.9V109 T300 G308V109-C288 HydrophobicContact CG1-CB 4.23Å; V109-C288 VanDerWaalsContact CG1-SG 3.59Å; V109-C288 CarbonylContact O-C 3.6Å; V109-C288 WeakPolarHBondContact O-CA 3.19Å; C288-T300 HydrophobicContact CB-CG2 4.08Å; C288-T300 PolarHBondContact N-OG1 3.4Å; C288-T300 WeakPolarHBondContact O-CG2 3.34Å; C288-T300 PolarHBondContact O-N 3.41Å; C288-T300 PolarHBondContact O-OG1 3.41Å; C288-G308 PolarHBondContact SG-O 2.85Å
289L92.1Very high89.7Confident3 Ų319.1 Ų19.12%0.01611%0.114CC..EExtended strand (participates in β ladder)trans-106122.2171.5-71.983.5000108.9L108 V109 G110 I114 K116 V298 V299L108-L289 HydrophobicContact CB-CD1 4.32Å; L108-L289 HydrophobicContact CD2-CD1 4.45Å; V109-L289 PolarHBondContact O-N 3.22Å; G110-L289 WeakPolarHBondContact CA-O 3.46Å; I114-L289 HydrophobicContact CG1-CB 4.24Å; I114-L289 HydrophobicContact CG2-CB 3.55Å; I114-L289 HydrophobicContact CG2-CD2 4.04Å; I114-L289 HydrophobicContact CG2-CG 4.44Å; K116-L289 HydrophobicContact CG-CD1 4.22Å; K116-L289 HydrophobicContact CG-CD2 3.79Å; K116-L289 HydrophobicContact CG-CG 4.44Å; L289-V298 WeakPolarHBondContact CA-O 3.47Å; L289-V299 HydrophobicContact CD1-CG1 4.4Å; L289-V299 HydrophobicContact CD2-CG2 4.03Å; L289-V299 HydrophobicContact CG-CG1 4.44Å; L289-V299 HydrophobicContact CG-CG2 4.04Å
290Y88.9Confident89.7Confident7 Ų719.3 Ų19.33%0.02712%0.115CC..EExtended strand (participates in β ladder)trans-126.1165.2178.670.5-96.8000111.4G297 V298 T300 V317 E320 L322 F324Y290-G297 WeakPolarHBondContact O-CA 3.34Å; Y290-V298 HydrophobicContact CD1-CB 4.48Å; Y290-V298 HydrophobicContact CD2-CB 4.36Å; Y290-V298 HydrophobicContact CE1-CB 4.01Å; Y290-V298 HydrophobicContact CE1-CG1 4.1Å; Y290-V298 HydrophobicContact CE2-CB 3.84Å; Y290-V298 HydrophobicContact CE2-CG1 4.42Å; Y290-V298 HydrophobicContact CE2-CG2 3.94Å; Y290-V298 PolarHBondContact N-O 3.2Å; Y290-V298 VanDerWaalsContact N-O 3.1Å; Y290-V298 PolarHBondContact O-N 3.37Å; Y290-T300 HydrophobicContact CD1-CG2 3.78Å; Y290-T300 HydrophobicContact CE1-CG2 3.7Å; Y290-V317 HydrophobicContact CD1-CG2 4.34Å; Y290-V317 HydrophobicContact CE1-CG2 4.28Å; Y290-E320 PolarHBondContact OH-OE2 3.44Å; Y290-L322 HydrophobicContact CD2-CD2 3.97Å; Y290-L322 HydrophobicContact CE2-CD1 4.09Å; Y290-L322 HydrophobicContact CE2-CD2 3.5Å; Y290-L322 HydrophobicContact CE2-CG 4.46Å; Y290-F324 HydrophobicContact CD1-CD1 4.33Å; Y290-F324 HydrophobicContact CD2-CB 3.82Å; Y290-F324 HydrophobicContact CD2-CD1 4.47Å; Y290-F324 HydrophobicContact CD2-CG 4.3Å; Y290-F324 HydrophobicContact CG-CB 4.05Å; Y290-F324 AromaticContact CG-CD1 3.96Å; Y290-F324 HydrophobicContact CG-CD1 3.96Å; Y290-F324 HydrophobicContact CG-CG 4.01Å
291G85.8Confident89.7Confident22 Ų2223.9 Ų23.923%0.22714%0.138CC..EExtended strand (participates in β ladder)trans135.5-157.9-179.800000110.9I114I114-G291 VanDerWaalsContact CD1-C 3.43Å
292V82.4Confident89.8Confident62 Ų6224.1 Ų24.138%0.37614%0.142SC..EExtended strand (participates in β ladder)trans-105.4123.9-178.1177.70000108.7V73 S294 A295 Y296V73-V292 HydrophobicContact CG2-CG2 4.47Å; V292-S294 PolarHBondContact O-N 3.45Å; V292-A295 HydrophobicContact CB-CB 3.71Å; V292-A295 HydrophobicContact CG1-CB 3.68Å; V292-A295 WeakPolarHBondContact O-CB 3.47Å; V292-A295 PolarHBondContact O-N 3.42Å; V292-Y296 HydrophobicContact CB-CD1 4.22Å; V292-Y296 HydrophobicContact CB-CE1 3.89Å; V292-Y296 HydrophobicContact CG2-CE1 3.71Å; V292-Y296 PolarHBondContact N-O 3.28Å; V292-Y296 VanDerWaalsContact N-O 3.15Å; V292-Y296 PolarHBondContact O-N 2.9Å; V292-Y296 VanDerWaalsContact O-N 3.11Å; V292-Y296 VanDerWaalsContact O-O 3.06Å
293P82.3Confident89.9Confident67 Ų6724.7 Ų24.744%0.43514%0.144SC..THydrogen-bonded Turntrans-48.9133.9178-31.937.5000112.8N112 A295N112-P293 WeakPolarHBondContact O-CB 3.24Å; P293-A295 PolarHBondContact O-N 2.89Å
294S80.6Confident89.9Confident83 Ų8326.1 Ų26.158%0.5816%0.159SC*.THydrogen-bonded Turntrans63.1-0.1-178.8-53.70000115.6G113 V292G113-S294 PolarHBondContact O-N 3.09Å; V292-S294 PolarHBondContact O-N 3.45Å
295A82.6Confident89.8Confident4 Ų425 Ų253%0.03315%0.153CC..THydrogen-bonded Turntrans-106.1-61.4-177.900000112I10 F92 K93 V292 P293I10-A295 HydrophobicContact CD1-CB 3.23Å; I10-A295 HydrophobicContact CG1-CB 3.97Å; F92-A295 WeakPolarHBondContact CA-O 3.34Å; K93-A295 PolarHBondContact N-O 3.46Å; V292-A295 HydrophobicContact CB-CB 3.71Å; V292-A295 HydrophobicContact CG1-CB 3.68Å; V292-A295 WeakPolarHBondContact O-CB 3.47Å; V292-A295 PolarHBondContact O-N 3.42Å; P293-A295 PolarHBondContact O-N 2.89Å
296Y87.2Confident89.5Confident28 Ų2826.7 Ų26.711%0.1116%0.158CC..EExtended strand (participates in β ladder)trans-158.2154.617373.3-77.6000110.1I8 V73 L75 K93 I114 V292 V298I8-Y296 HydrophobicContact CD1-CG 4.4Å; V73-Y296 HydrophobicContact CB-CE1 4.3Å; V73-Y296 HydrophobicContact CG1-CD1 4.15Å; V73-Y296 HydrophobicContact CG1-CE1 3.45Å; V73-Y296 VanDerWaalsContact CG1-CE1 3.45Å; V73-Y296 HydrophobicContact CG2-CE1 4.45Å; L75-Y296 HydrophobicContact CD2-CD1 4.13Å; L75-Y296 HydrophobicContact CD2-CD2 3.68Å; L75-Y296 HydrophobicContact CD2-CE1 3.91Å; L75-Y296 HydrophobicContact CD2-CE2 3.4Å; L75-Y296 HydrophobicContact CD2-CG 4.03Å; K93-Y296 CarbonylContact O-C 3.6Å; K93-Y296 WeakPolarHBondContact O-CA 3.49Å; I114-Y296 WeakPolarHBondContact CD1-O 3.37Å; V292-Y296 HydrophobicContact CB-CD1 4.22Å; V292-Y296 HydrophobicContact CB-CE1 3.89Å; V292-Y296 HydrophobicContact CG2-CE1 3.71Å; V292-Y296 PolarHBondContact N-O 3.28Å; V292-Y296 VanDerWaalsContact N-O 3.15Å; V292-Y296 PolarHBondContact O-N 2.9Å; V292-Y296 VanDerWaalsContact O-N 3.11Å; V292-Y296 VanDerWaalsContact O-O 3.06Å; Y296-V298 HydrophobicContact CD2-CG2 3.92Å; Y296-V298 HydrophobicContact CE2-CG2 3.89Å
297G90.6Very high89.3Confident0 Ų031.8 Ų31.80%018%0.182CC..EExtended strand (participates in β ladder)trans-132.3140.7171.900000111K93 H95 I114 Y290K93-G297 PolarHBondContact O-N 3.48Å; H95-G297 PolarHBondContact N-O 2.91Å; I114-G297 WeakPolarHBondContact O-CA 3.46Å; Y290-G297 WeakPolarHBondContact O-CA 3.34Å
298V90.8Very high89.1Confident0 Ų031.8 Ų31.80%018%0.182CC..EExtended strand (participates in β ladder)trans-118131.1174.5-171.90000108.2L79 H95 L289 Y290 Y296L79-V298 HydrophobicContact CD1-CG2 3.86Å; L79-V298 HydrophobicContact CD2-CG1 3.75Å; L79-V298 HydrophobicContact CD2-CG2 4Å; H95-V298 HydrophobicContact CB-CB 4.4Å; H95-V298 HydrophobicContact CB-CG1 4.3Å; H95-V298 HydrophobicContact CB-CG2 4.06Å; L289-V298 WeakPolarHBondContact CA-O 3.47Å; Y290-V298 HydrophobicContact CD1-CB 4.48Å; Y290-V298 HydrophobicContact CD2-CB 4.36Å; Y290-V298 HydrophobicContact CE1-CB 4.01Å; Y290-V298 HydrophobicContact CE1-CG1 4.1Å; Y290-V298 HydrophobicContact CE2-CB 3.84Å; Y290-V298 HydrophobicContact CE2-CG1 4.42Å; Y290-V298 HydrophobicContact CE2-CG2 3.94Å; Y290-V298 PolarHBondContact N-O 3.2Å; Y290-V298 VanDerWaalsContact N-O 3.1Å; Y290-V298 PolarHBondContact O-N 3.37Å; Y296-V298 HydrophobicContact CD2-CG2 3.92Å; Y296-V298 HydrophobicContact CE2-CG2 3.89Å
299V92.9Very high89Confident0 Ų031.8 Ų31.80%018%0.182CC..EExtended strand (participates in β ladder)trans-90.4126.3173.2-167.30000109.3L94 H95 R96 P98 C287 L289L94-V299 HydrophobicContact CD1-CG2 4.37Å; H95-V299 PolarHBondContact O-N 2.73Å; H95-V299 VanDerWaalsContact O-N 3.1Å; R96-V299 HydrophobicContact CB-CB 4.18Å; R96-V299 WeakPolarHBondContact CD-O 3.39Å; P98-V299 HydrophobicContact CB-CG1 4.25Å; P98-V299 HydrophobicContact CG-CG1 4.28Å; C287-V299 HydrophobicContact CB-CG1 3.89Å; L289-V299 HydrophobicContact CD1-CG1 4.4Å; L289-V299 HydrophobicContact CD2-CG2 4.03Å; L289-V299 HydrophobicContact CG-CG1 4.44Å; L289-V299 HydrophobicContact CG-CG2 4.04Å
300T91.3Very high88.8Confident4 Ų432.2 Ų32.23%0.02519%0.185CC..PPolyproline II helixtrans-71.2163.517365.40000111.6C287 C288 Y290 F303 V317C287-T300 PolarHBondContact SG-O 2.91Å; C288-T300 HydrophobicContact CB-CG2 4.08Å; C288-T300 PolarHBondContact N-OG1 3.4Å; C288-T300 WeakPolarHBondContact O-CG2 3.34Å; C288-T300 PolarHBondContact O-N 3.41Å; C288-T300 PolarHBondContact O-OG1 3.41Å; Y290-T300 HydrophobicContact CD1-CG2 3.78Å; Y290-T300 HydrophobicContact CE1-CG2 3.7Å; T300-F303 HydrophobicContact CG2-CE2 4.26Å; T300-V317 HydrophobicContact CG2-CG1 4.31Å; T300-V317 HydrophobicContact CG2-CG2 4.05Å
301M89.7Confident88.8Confident101 Ų10132.3 Ų32.350%0.49819%0.185SC..PPolyproline II helixtrans-57.1153.3161.4-63-58.5-73.900110.7I99 F303I99-M301 HydrophobicContact CD1-CE 4.2Å; I99-M301 HydrophobicContact CD1-SD 4.49Å; M301-F303 WeakPolarHBondContact O-CD2 3.27Å; M301-F303 VanDerWaalsContact O-CE2 3.31Å; M301-F303 WeakPolarHBondContact O-CE2 3.48Å; M301-F303 PolarHBondContact O-N 3.01Å
302P92.6Very high89Confident28 Ų2831.4 Ų31.418%0.18218%0.175CC..PPolyproline II helixtrans-67.1130.217826.6-33.4000110.6F285F285-P302 HydrophobicContact CB-CB 4.35Å
303F93.7Very high89.2Confident14 Ų1428.5 Ų28.56%0.06116%0.158CC..EExtended strand (participates in β ladder)trans-110.2158.1173.8-63.7-76.9000110.5F285 I286 T300 M301 E307 I311 V317 T319F285-F303 CarbonylContact C-O 3.55Å; F285-F303 WeakPolarHBondContact CA-O 3.11Å; I286-F303 PolarHBondContact N-O 3.01Å; I286-F303 PolarHBondContact O-N 2.9Å; T300-F303 HydrophobicContact CG2-CE2 4.26Å; M301-F303 WeakPolarHBondContact O-CD2 3.27Å; M301-F303 VanDerWaalsContact O-CE2 3.31Å; M301-F303 WeakPolarHBondContact O-CE2 3.48Å; M301-F303 PolarHBondContact O-N 3.01Å; F303-E307 HydrophobicContact CD1-CG 4.37Å; F303-I311 HydrophobicContact CD1-CD1 3.83Å; F303-I311 HydrophobicContact CD2-CD1 4.05Å; F303-I311 HydrophobicContact CE1-CD1 3.74Å; F303-I311 HydrophobicContact CE2-CD1 3.94Å; F303-I311 HydrophobicContact CG-CD1 4Å; F303-I311 HydrophobicContact CZ-CD1 3.8Å; F303-V317 HydrophobicContact CE2-CG1 4.47Å; F303-V317 HydrophobicContact CZ-CG1 4.12Å; F303-T319 HydrophobicContact CE1-CG2 3.86Å; F303-T319 HydrophobicContact CZ-CG2 4.2Å
304G93.1Very high89.3Confident31 Ų3129 Ų2932%0.3216%0.157SC..EExtended strand (participates in β ladder)trans-59.8144.8165.700000110.3R306 E307 G308G304-R306 VanDerWaalsContact C-N 3.29Å; G304-R306 PolarHBondContact O-N 3.19Å; G304-R306 VanDerWaalsContact O-N 3.1Å; G304-E307 PolarHBondContact O-N 2.9Å; G304-G308 PolarHBondContact O-N 2.92Å
305V91.4Very high89.5Confident15 Ų1525 Ų259%0.09113%0.129CC..Hα-helixtrans-45.5-49.7-172173.50000114.1D280 S283 D284 I286 I309D280-V305 HydrophobicContact CB-CG1 4.07Å; D280-V305 VanDerWaalsContact OD1-CG1 3.25Å; D280-V305 WeakPolarHBondContact OD1-CG1 3.24Å; S283-V305 VanDerWaalsContact O-CG2 3.25Å; S283-V305 WeakPolarHBondContact O-CG2 3.2Å; D284-V305 WeakPolarHBondContact O-CG2 3.2Å; I286-V305 HydrophobicContact CD1-CB 4.16Å; I286-V305 HydrophobicContact CD1-CG1 3.8Å; I286-V305 HydrophobicContact CD1-CG2 4.29Å; I286-V305 HydrophobicContact CG1-CG2 4.33Å; V305-I309 HydrophobicContact CG1-CD1 3.95Å; V305-I309 WeakPolarHBondContact O-CG1 3.47Å; V305-I309 PolarHBondContact O-N 2.97Å; V305-I309 VanDerWaalsContact O-N 3.12Å
306R89.4Confident89.6Confident92 Ų9228.3 Ų28.335%0.34714%0.141SC..Hα-helixtrans-61.7-47.6-178.2-176.8-175.4-178.9-151.9-15.7111.3G304 N310 D569 P570 N571G304-R306 VanDerWaalsContact C-N 3.29Å; G304-R306 PolarHBondContact O-N 3.19Å; G304-R306 VanDerWaalsContact O-N 3.1Å; R306-N310 WeakPolarHBondContact O-CB 3.29Å; R306-N310 PolarHBondContact O-N 3.43Å; R306-N310 VanDerWaalsContact O-N 3.16Å; R306-N310 PolarHBondContact O-ND2 2.99Å; R306-N310 PolarHBondContact O-OD1 3.12Å; R306-D569 WeakPolarHBondContact CG-OD2 3.43Å; R306-D569 IonicContact CZ-OD1 2.86Å; R306-D569 IonicContact CZ-OD2 3.47Å; R306-D569 IonicContact NE-OD1 3.79Å; R306-D569 IonicContact NE-OD2 2.83Å; R306-D569 PolarHBondContact NE-OD2 3.06Å; R306-D569 IonicContact NH2-OD1 3.48Å; R306-D569 PolarHBondContact NH2-OD1 3.47Å; R306-D569 IonicContact NH2-OD2 3.09Å; R306-P570 VanDerWaalsContact NH2-CD 3.34Å; R306-N571 PolarHBondContact NH2-OD1 3.42Å
307E90.2Very high89.5Confident107 Ų10727 Ų2750%0.514%0.136SC..Hα-helixtrans-68.1-45.9-178-174.3176.8-169.500110.9F303 G304 I309 N310 I311F303-E307 HydrophobicContact CD1-CG 4.37Å; G304-E307 PolarHBondContact O-N 2.9Å; E307-I309 PolarHBondContact O-N 3.2Å; E307-N310 PolarHBondContact O-N 3.1Å; E307-I311 HydrophobicContact CG-CD1 3.83Å; E307-I311 HydrophobicContact CG-CG1 4.41Å; E307-I311 WeakPolarHBondContact O-CB 3Å; E307-I311 VanDerWaalsContact O-CG1 3.32Å; E307-I311 WeakPolarHBondContact O-CG1 3.15Å; E307-I311 PolarHBondContact O-N 3.38Å
308G90.9Very high89Confident0 Ų030.2 Ų30.20%016%0.156CC..Hα-helixtrans-59.2-45.9179.200000113.1C288 G304 I311 F312C288-G308 PolarHBondContact SG-O 2.85Å; G304-G308 PolarHBondContact O-N 2.92Å; G308-I311 PolarHBondContact O-N 3.42Å; G308-F312 WeakPolarHBondContact O-CB 3.27Å; G308-F312 PolarHBondContact O-N 3.19Å
309I90.2Very high88.5Confident0 Ų034.7 Ų34.70%018%0.184CC..Hα-helixtrans-66.4-39.9177.2-64.3167.9000110.9L276 L279 D280 I286 V305 E307 F312 L313 R574L276-I309 HydrophobicContact CD1-CG2 4.31Å; L279-I309 HydrophobicContact CD2-CG1 4.5Å; D280-I309 HydrophobicContact CB-CD1 3.8Å; I286-I309 HydrophobicContact CD1-CD1 3.7Å; I286-I309 HydrophobicContact CD1-CG1 3.52Å; V305-I309 HydrophobicContact CG1-CD1 3.95Å; V305-I309 WeakPolarHBondContact O-CG1 3.47Å; V305-I309 PolarHBondContact O-N 2.97Å; V305-I309 VanDerWaalsContact O-N 3.12Å; E307-I309 PolarHBondContact O-N 3.2Å; I309-F312 WeakPolarHBondContact O-CB 3.37Å; I309-F312 PolarHBondContact O-N 2.84Å; I309-L313 HydrophobicContact CG2-CD1 3.79Å; I309-L313 HydrophobicContact CG2-CG 4.31Å; I309-L313 VanDerWaalsContact O-CG 3.29Å; I309-L313 WeakPolarHBondContact O-CG 3.36Å; I309-L313 PolarHBondContact O-N 3.42Å; I309-R574 VanDerWaalsContact CG2-CZ 3.45Å
310N88.5Confident87.6Confident12 Ų1237.1 Ų37.16%0.06420%0.195CC..Hα-helixtrans-66.3-42.9178.5-69.9-2.2000111.2R306 E307 F312 L313 D314 N572 R574R306-N310 WeakPolarHBondContact O-CB 3.29Å; R306-N310 PolarHBondContact O-N 3.43Å; R306-N310 VanDerWaalsContact O-N 3.16Å; R306-N310 PolarHBondContact O-ND2 2.99Å; R306-N310 PolarHBondContact O-OD1 3.12Å; E307-N310 PolarHBondContact O-N 3.1Å; N310-F312 VanDerWaalsContact C-N 3.28Å; N310-F312 PolarHBondContact O-N 2.94Å; N310-L313 CarbonylContact O-C 3.57Å; N310-L313 PolarHBondContact O-N 3.04Å; N310-L313 VanDerWaalsContact O-N 3.11Å; N310-D314 WeakPolarHBondContact O-CB 3.22Å; N310-D314 VanDerWaalsContact O-CG 3.24Å; N310-D314 PolarHBondContact O-N 3.45Å; N310-N572 PolarHBondContact OD1-ND2 3.1Å; N310-R574 PolarHBondContact OD1-NE 3.27Å
311I88.9Confident86.8Confident8 Ų842.8 Ų42.84%0.04123%0.226CC..Hα-helixtrans-55.4-44.2171.2-74.9171.4000111F303 E307 G308 L313 D314 G315 Y316 V317F303-I311 HydrophobicContact CD1-CD1 3.83Å; F303-I311 HydrophobicContact CD2-CD1 4.05Å; F303-I311 HydrophobicContact CE1-CD1 3.74Å; F303-I311 HydrophobicContact CE2-CD1 3.94Å; F303-I311 HydrophobicContact CG-CD1 4Å; F303-I311 HydrophobicContact CZ-CD1 3.8Å; E307-I311 HydrophobicContact CG-CD1 3.83Å; E307-I311 HydrophobicContact CG-CG1 4.41Å; E307-I311 WeakPolarHBondContact O-CB 3Å; E307-I311 VanDerWaalsContact O-CG1 3.32Å; E307-I311 WeakPolarHBondContact O-CG1 3.15Å; E307-I311 PolarHBondContact O-N 3.38Å; G308-I311 PolarHBondContact O-N 3.42Å; I311-L313 VanDerWaalsContact C-N 3.35Å; I311-L313 PolarHBondContact O-N 2.92Å; I311-D314 PolarHBondContact O-N 3.36Å; I311-G315 PolarHBondContact O-N 3.14Å; I311-Y316 WeakPolarHBondContact CG2-O 3.46Å; I311-V317 HydrophobicContact CG2-CB 4.44Å; I311-V317 HydrophobicContact CG2-CG2 3.9Å
312F89.3Confident86.3Confident3 Ų339.7 Ų39.71%0.01321%0.211CC..Hα-helixtrans-62.8-39.7177.4-178.8-100.8000112.6V109 L276 G308 I309 N310 R325 S494V109-F312 HydrophobicContact CG1-CB 4.37Å; V109-F312 HydrophobicContact CG1-CD2 4.1Å; V109-F312 HydrophobicContact CG1-CG 4.15Å; V109-F312 HydrophobicContact CG2-CD1 4.12Å; V109-F312 HydrophobicContact CG2-CD2 4.28Å; V109-F312 HydrophobicContact CG2-CE1 4.05Å; V109-F312 HydrophobicContact CG2-CE2 4.22Å; V109-F312 HydrophobicContact CG2-CG 4.24Å; V109-F312 HydrophobicContact CG2-CZ 4.11Å; L276-F312 HydrophobicContact CD2-CD1 4.31Å; L276-F312 HydrophobicContact CD2-CE1 4.46Å; G308-F312 WeakPolarHBondContact O-CB 3.27Å; G308-F312 PolarHBondContact O-N 3.19Å; I309-F312 WeakPolarHBondContact O-CB 3.37Å; I309-F312 PolarHBondContact O-N 2.84Å; N310-F312 VanDerWaalsContact C-N 3.28Å; N310-F312 PolarHBondContact O-N 2.94Å; F312-R325 PolarHBondContact O-NH1 3.23Å; F312-R325 PolarHBondContact O-NH2 2.85Å; F312-S494 VanDerWaalsContact CE1-OG 3.24Å; F312-S494 WeakPolarHBondContact CE1-OG 3.07Å; F312-S494 VanDerWaalsContact CZ-OG 3.25Å; F312-S494 WeakPolarHBondContact CZ-OG 2.97Å
313L86.7Confident85.6Confident2 Ų246.6 Ų46.61%0.0123%0.233CC..Hα-helixtrans-78.8-28.5178.7-68.9168.5000113.6L276 I309 N310 I311 R325 L329 F331 N572L276-L313 HydrophobicContact CD1-CD2 3.86Å; L276-L313 HydrophobicContact CD1-CG 4.36Å; I309-L313 HydrophobicContact CG2-CD1 3.79Å; I309-L313 HydrophobicContact CG2-CG 4.31Å; I309-L313 VanDerWaalsContact O-CG 3.29Å; I309-L313 WeakPolarHBondContact O-CG 3.36Å; I309-L313 PolarHBondContact O-N 3.42Å; N310-L313 CarbonylContact O-C 3.57Å; N310-L313 PolarHBondContact O-N 3.04Å; N310-L313 VanDerWaalsContact O-N 3.11Å; I311-L313 VanDerWaalsContact C-N 3.35Å; I311-L313 PolarHBondContact O-N 2.92Å; L313-R325 PolarHBondContact O-NH2 2.75Å; L313-L329 HydrophobicContact CB-CB 4.37Å; L313-L329 HydrophobicContact CD2-CB 3.9Å; L313-L329 HydrophobicContact CD2-CD1 4.08Å; L313-L329 WeakPolarHBondContact O-CB 3.29Å; L313-L329 PolarHBondContact O-N 2.91Å; L313-F331 HydrophobicContact CD1-CE2 3.77Å; L313-F331 HydrophobicContact CD2-CE2 3.83Å; L313-F331 HydrophobicContact CD2-CZ 3.92Å; L313-F331 HydrophobicContact CG-CE2 4.41Å; L313-N572 WeakPolarHBondContact CD1-ND2 3.41Å
314D84.9Confident85Confident77 Ų7748.5 Ų48.541%0.41224%0.242SC..Hα-helixtrans-78.6-27.9175.6-69.3-21.3000111.2N310 I311 Y316N310-D314 WeakPolarHBondContact O-CB 3.22Å; N310-D314 VanDerWaalsContact O-CG 3.24Å; N310-D314 PolarHBondContact O-N 3.45Å; I311-D314 PolarHBondContact O-N 3.36Å; D314-Y316 VanDerWaalsContact C-N 3.31Å
315G84.9Confident84.4Confident0 Ų048.3 Ų48.30%023%0.231CC..THydrogen-bonded Turntrans8016.4-179.300000113.4I311 R323 F324 R325I311-G315 PolarHBondContact O-N 3.14Å; G315-R323 CarbonylContact O-C 3.51Å; G315-R323 WeakPolarHBondContact O-CA 3.34Å; G315-F324 PolarHBondContact O-N 2.83Å; G315-R325 PolarHBondContact O-N 3.3Å; G315-R325 VanDerWaalsContact O-N 3.11Å
316Y85.1Confident83.5Confident73 Ų7356 Ų5629%0.28627%0.266SS..EExtended strand (participates in β ladder)trans-137.1127.2-174.8174.7-106.7000110.4I311 D314 P318 N321 L322 R323I311-Y316 WeakPolarHBondContact CG2-O 3.46Å; D314-Y316 VanDerWaalsContact C-N 3.31Å; Y316-P318 HydrophobicContact CD1-CG 4.09Å; Y316-P318 HydrophobicContact CE1-CB 4.03Å; Y316-P318 HydrophobicContact CE1-CG 3.99Å; Y316-P318 WeakPolarHBondContact O-CD 3.44Å; Y316-N321 PolarHBondContact OH-OD1 2.87Å; Y316-L322 WeakPolarHBondContact CA-O 3.21Å; Y316-L322 WeakPolarHBondContact CD2-O 3.27Å; Y316-R323 HydrophobicContact CD2-CB 3.95Å
317V84.9Confident82.9Confident0 Ų056.9 Ų56.90%028%0.277CS..EExtended strand (participates in β ladder)trans-100.2106.1177.4-175.10000108.3Y290 T300 F303 I311 T319 E320 N321 L322 F324Y290-V317 HydrophobicContact CD1-CG2 4.34Å; Y290-V317 HydrophobicContact CE1-CG2 4.28Å; T300-V317 HydrophobicContact CG2-CG1 4.31Å; T300-V317 HydrophobicContact CG2-CG2 4.05Å; F303-V317 HydrophobicContact CE2-CG1 4.47Å; F303-V317 HydrophobicContact CZ-CG1 4.12Å; I311-V317 HydrophobicContact CG2-CB 4.44Å; I311-V317 HydrophobicContact CG2-CG2 3.9Å; V317-T319 WeakPolarHBondContact CG1-OG1 3.37Å; V317-T319 PolarHBondContact O-N 2.85Å; V317-E320 HydrophobicContact CB-CB 4.42Å; V317-E320 HydrophobicContact CG1-CB 4.11Å; V317-E320 HydrophobicContact CG1-CG 4.08Å; V317-E320 PolarHBondContact O-N 3.09Å; V317-N321 PolarHBondContact O-N 2.79Å; V317-N321 VanDerWaalsContact O-N 3.07Å; V317-L322 PolarHBondContact N-O 2.8Å; V317-L322 PolarHBondContact O-N 2.99Å; V317-L322 VanDerWaalsContact O-N 3.15Å; V317-F324 HydrophobicContact CG2-CD1 3.92Å; V317-F324 HydrophobicContact CG2-CE1 3.78Å
318P79.4Confident82.4Confident67 Ų6754.7 Ų54.744%0.43527%0.273SS..G310 helixtrans-63.8-40-174.6-22.833.8000113.3Y316 E320 N321Y316-P318 HydrophobicContact CD1-CG 4.09Å; Y316-P318 HydrophobicContact CE1-CB 4.03Å; Y316-P318 HydrophobicContact CE1-CG 3.99Å; Y316-P318 WeakPolarHBondContact O-CD 3.44Å; P318-E320 PolarHBondContact O-N 2.76Å; P318-N321 PolarHBondContact O-N 3.03Å; P318-N321 VanDerWaalsContact O-N 3.1Å
319T80.1Confident81.6Confident94 Ų9455.6 Ų55.658%0.57728%0.278SS*.G310 helixtrans-62.8-26.6-177.953.50000113.3F303 V317F303-T319 HydrophobicContact CE1-CG2 3.86Å; F303-T319 HydrophobicContact CZ-CG2 4.2Å; V317-T319 WeakPolarHBondContact CG1-OG1 3.37Å; V317-T319 PolarHBondContact O-N 2.85Å
320E75Confident80.6Confident52 Ų5258.7 Ų58.724%0.24330%0.297CS..G310 helixtrans-106.6-1.6-179.4-63.6177.6-164.100112R96 Y290 V317 P318 L322R96-E320 IonicContact CZ-OE1 3.66Å; R96-E320 IonicContact NH1-OE1 2.67Å; R96-E320 PolarHBondContact NH1-OE1 2.96Å; R96-E320 IonicContact NH1-OE2 3.96Å; Y290-E320 PolarHBondContact OH-OE2 3.44Å; V317-E320 HydrophobicContact CB-CB 4.42Å; V317-E320 HydrophobicContact CG1-CB 4.11Å; V317-E320 HydrophobicContact CG1-CG 4.08Å; V317-E320 PolarHBondContact O-N 3.09Å; P318-E320 PolarHBondContact O-N 2.76Å; E320-L322 HydrophobicContact CB-CB 4.03Å; E320-L322 PolarHBondContact O-N 3.32Å
321N74.4Confident79.6Confident123 Ų12358.7 Ų58.766%0.65830%0.296SS*.THydrogen-bonded Turntrans44.641.9-169.3-167.624.9000112.7Y316 V317 P318Y316-N321 PolarHBondContact OH-OD1 2.87Å; V317-N321 PolarHBondContact O-N 2.79Å; V317-N321 VanDerWaalsContact O-N 3.07Å; P318-N321 PolarHBondContact O-N 3.03Å; P318-N321 VanDerWaalsContact O-N 3.1Å
322L78.9Confident78.3Confident36 Ų3665.6 Ų65.619%0.18833%0.326CS..EExtended strand (participates in β ladder)trans-118.4120.6-171.1-173.2147.3000110.4P76 Y290 Y316 V317 E320 F324P76-L322 HydrophobicContact CG-CD1 4.3Å; Y290-L322 HydrophobicContact CD2-CD2 3.97Å; Y290-L322 HydrophobicContact CE2-CD1 4.09Å; Y290-L322 HydrophobicContact CE2-CD2 3.5Å; Y290-L322 HydrophobicContact CE2-CG 4.46Å; Y316-L322 WeakPolarHBondContact CA-O 3.21Å; Y316-L322 WeakPolarHBondContact CD2-O 3.27Å; V317-L322 PolarHBondContact N-O 2.8Å; V317-L322 PolarHBondContact O-N 2.99Å; V317-L322 VanDerWaalsContact O-N 3.15Å; E320-L322 HydrophobicContact CB-CB 4.03Å; E320-L322 PolarHBondContact O-N 3.32Å; L322-F324 HydrophobicContact CD2-CB 3.85Å; L322-F324 HydrophobicContact CD2-CD1 4.44Å
323R78.4Confident76.7Confident172 Ų17269 Ų6965%0.64935%0.347SS*.EExtended strand (participates in β ladder)trans-95.4110.6170.7-173.2172.2-74.2177.3-2109G315 Y316 R325G315-R323 CarbonylContact O-C 3.51Å; G315-R323 WeakPolarHBondContact O-CA 3.34Å; Y316-R323 HydrophobicContact CD2-CB 3.95Å; R323-R325 VanDerWaalsContact CD-O 3.3Å; R323-R325 WeakPolarHBondContact CD-O 3.09Å; R323-R325 WeakPolarHBondContact CG-O 3.3Å
324F80.3Confident75Confident55 Ų5571 Ų7124%0.24136%0.363CS..SBendtrans-94.5-11.4177.163.9-95.6000112.6Y290 G315 V317 L322Y290-F324 HydrophobicContact CD1-CD1 4.33Å; Y290-F324 HydrophobicContact CD2-CB 3.82Å; Y290-F324 HydrophobicContact CD2-CD1 4.47Å; Y290-F324 HydrophobicContact CD2-CG 4.3Å; Y290-F324 HydrophobicContact CG-CB 4.05Å; Y290-F324 AromaticContact CG-CD1 3.96Å; Y290-F324 HydrophobicContact CG-CD1 3.96Å; Y290-F324 HydrophobicContact CG-CG 4.01Å; G315-F324 PolarHBondContact O-N 2.83Å; V317-F324 HydrophobicContact CG2-CD1 3.92Å; V317-F324 HydrophobicContact CG2-CE1 3.78Å; L322-F324 HydrophobicContact CD2-CB 3.85Å; L322-F324 HydrophobicContact CD2-CD1 4.44Å
325R80.6Confident73.2Confident26 Ų2676.4 Ų76.410%0.09839%0.386CS..  trans-137.4138.6172.5-173.2176.261.4-132.2-13.4111.8F312 L313 G315 R323 I327 L329 E495F312-R325 PolarHBondContact O-NH1 3.23Å; F312-R325 PolarHBondContact O-NH2 2.85Å; L313-R325 PolarHBondContact O-NH2 2.75Å; G315-R325 PolarHBondContact O-N 3.3Å; G315-R325 VanDerWaalsContact O-N 3.11Å; R323-R325 VanDerWaalsContact CD-O 3.3Å; R323-R325 WeakPolarHBondContact CD-O 3.09Å; R323-R325 WeakPolarHBondContact CG-O 3.3Å; R325-I327 WeakPolarHBondContact CD-O 3.36Å; R325-I327 WeakPolarHBondContact CG-O 3.09Å; R325-I327 PolarHBondContact NE-O 2.73Å; R325-L329 VanDerWaalsContact CZ-CD1 3.45Å; R325-E495 WeakPolarHBondContact CD-OE1 3.38Å; R325-E495 IonicContact NH1-OE2 2.87Å
326E72.1Confident71.6Confident178 Ų17882 Ų8283%0.83242%0.42SS*.SBendtrans-73.6-35.3-178-64.9-175.917000113.5
327I77.1Confident69.9Low110 Ų11080.7 Ų80.756%0.56442%0.424SS*.SBendtrans-109.3127.8-172.7-57.5170000109.1R325R325-I327 WeakPolarHBondContact CD-O 3.36Å; R325-I327 WeakPolarHBondContact CG-O 3.09Å; R325-I327 PolarHBondContact NE-O 2.73Å
328S79.2Confident68.4Low60 Ų6086.5 Ų86.542%0.4246%0.456SS..  trans-76.4149.3171.558.50000111.3
329L73.9Confident67Low20 Ų2090.9 Ų90.911%0.10547%0.47CS..  trans-9895.6179.5-66.1180000108.2L313 R325 L498L313-L329 HydrophobicContact CB-CB 4.37Å; L313-L329 HydrophobicContact CD2-CB 3.9Å; L313-L329 HydrophobicContact CD2-CD1 4.08Å; L313-L329 WeakPolarHBondContact O-CB 3.29Å; L313-L329 PolarHBondContact O-N 2.91Å; R325-L329 VanDerWaalsContact CZ-CD1 3.45Å; L329-L498 HydrophobicContact CB-CD2 3.46Å; L329-L498 VanDerWaalsContact CB-CD2 3.46Å; L329-L498 HydrophobicContact CD1-CD2 3.82Å; L329-L498 HydrophobicContact CD2-CD2 3.64Å; L329-L498 HydrophobicContact CD2-CG 4.32Å; L329-L498 HydrophobicContact CG-CD2 3.76Å
330V69.9Low65.5Low65 Ų6594 Ų9439%0.39448%0.479SS..  trans-104.3131.3-178.7-170.10000110.4K332V330-K332 HydrophobicContact CG1-CG 3.81Å; V330-K332 PolarHBondContact O-N 2.72Å
331F68.1Low64.7Low11 Ų1197 Ų975%0.04849%0.492CS..  trans-9371.7175.6-56.9-78.4000109.6L313 L498 I523 Y527 F573 R574L313-F331 HydrophobicContact CD1-CE2 3.77Å; L313-F331 HydrophobicContact CD2-CE2 3.83Å; L313-F331 HydrophobicContact CD2-CZ 3.92Å; L313-F331 HydrophobicContact CG-CE2 4.41Å; F331-L498 HydrophobicContact CD1-CD1 4.26Å; F331-L498 HydrophobicContact CE1-CD1 3.61Å; F331-L498 HydrophobicContact CE1-CD2 3.74Å; F331-L498 HydrophobicContact CE1-CG 4.33Å; F331-L498 HydrophobicContact CZ-CD1 4.45Å; F331-L498 HydrophobicContact CZ-CD2 3.78Å; F331-I523 HydrophobicContact CD1-CG2 3.68Å; F331-I523 HydrophobicContact CE1-CB 4.49Å; F331-I523 HydrophobicContact CE1-CG2 3Å; F331-I523 HydrophobicContact CZ-CG2 3.49Å; F331-I523 VanDerWaalsContact CZ-CG2 3.49Å; F331-Y527 HydrophobicContact CD1-CD2 4.41Å; F331-F573 WeakPolarHBondContact O-CB 3.37Å; F331-R574 HydrophobicContact CD2-CB 3.56Å; F331-R574 HydrophobicContact CE2-CB 3.89Å; F331-R574 HydrophobicContact CG-CB 4.32Å
332K61.8Low63.9Low154 Ų15494.4 Ų94.467%0.6748%0.478SS*.  trans-79.8123.2166.3-66.6-164.5175.9-170.70108V330 A334V330-K332 HydrophobicContact CG1-CG 3.81Å; V330-K332 PolarHBondContact O-N 2.72Å; K332-A334 PolarHBondContact O-N 2.87Å; K332-A334 VanDerWaalsContact O-N 3.13Å
333V55.6Low62.7Low74 Ų74101 Ų10145%0.44851%0.505SS..  trans-59.8115.3157.8-1780000104.6E335 R568V333-E335 PolarHBondContact O-N 3.48Å; V333-R568 VanDerWaalsContact CG2-NH2 3.31Å
334A50.8Low61.9Low43 Ų43103.8 Ų103.836%0.35552%0.515SS..PPolyproline II helixtrans-61.3137.4177.100000107.9K332 T336K332-A334 PolarHBondContact O-N 2.87Å; K332-A334 VanDerWaalsContact O-N 3.13Å; A334-T336 PolarHBondContact O-N 2.77Å
335E47Very low61.4Low192 Ų192103 Ų10390%0.89751%0.513SS*.PPolyproline II helixtrans-53.4125168.9-70.6170.7174.800107.9V333V333-E335 PolarHBondContact O-N 3.48Å
336T50.4Low60.9Low116 Ų116104.8 Ų104.871%0.71253%0.529SS*.PPolyproline II helixtrans-55.4143.6173.437.90000109.5A334 N338A334-T336 PolarHBondContact O-N 2.77Å; T336-N338 PolarHBondContact O-N 2.86Å
337A50.6Low61.3Low46 Ų46101.7 Ų101.738%0.3851%0.514SS..PPolyproline II helixtrans-50.8141.7173.700000110.6
338N52.5Low61.8Low122 Ų12299.1 Ų99.165%0.65250%0.498SS*.PPolyproline II helixtrans-57142.4-179.8-74.1-19.3000110.4T336 E340 E341 I342T336-N338 PolarHBondContact O-N 2.86Å; N338-E340 PolarHBondContact O-N 3.05Å; N338-E341 WeakPolarHBondContact O-CB 3.2Å; N338-E341 PolarHBondContact O-N 3.32Å; N338-I342 PolarHBondContact O-N 2.93Å
339E49.7Very low62.2Low159 Ų159102 Ų10274%0.74350%0.504SS*.Hα-helixtrans-53.5-27.3-177.4-69.1-174.5160.900114.1K343E339-K343 PolarHBondContact O-N 3.41Å
340E50.4Low62.9Low161 Ų161101.1 Ų101.175%0.75250%0.5SS*.Hα-helixtrans-71.2-29.2176.4-65.2-168.2158.800113.8N338N338-E340 PolarHBondContact O-N 3.05Å
341E56.8Low64Low114 Ų114100 Ų10053%0.53349%0.494SS..Hα-helixtrans-75.4-34.9176-66.5-172.4142.500111.1N338 K343 R344 M345N338-E341 WeakPolarHBondContact O-CB 3.2Å; N338-E341 PolarHBondContact O-N 3.32Å; E341-K343 VanDerWaalsContact C-N 3.32Å; E341-K343 PolarHBondContact O-N 3.07Å; E341-R344 PolarHBondContact O-N 2.85Å; E341-M345 WeakPolarHBondContact O-CG 3.35Å
342I58.4Low65.1Low69 Ų69102.7 Ų102.735%0.35451%0.507SS..Hα-helixtrans-62.5-39.8179.1-58.2175.8000110.8N338 R344 M345N338-I342 PolarHBondContact O-N 2.93Å; I342-R344 PolarHBondContact O-N 3.09Å; I342-R344 VanDerWaalsContact O-N 3.1Å; I342-M345 WeakPolarHBondContact O-CB 3.5Å; I342-M345 PolarHBondContact O-N 3.1Å
343K53.7Low66.6Low175 Ų17595.4 Ų95.476%0.76148%0.475SS*.THydrogen-bonded Turntrans-63.2-17.1178.8-73.1179-178171.60114.6E339 E341E339-K343 PolarHBondContact O-N 3.41Å; E341-K343 VanDerWaalsContact C-N 3.32Å; E341-K343 PolarHBondContact O-N 3.07Å
344R60.6Low68.4Low229 Ų22995.4 Ų95.486%0.86447%0.469SS*.THydrogen-bonded Turntrans-96.1-0.9178-66.2-177179.3175.22113.1E341 I342E341-R344 PolarHBondContact O-N 2.85Å; I342-R344 PolarHBondContact O-N 3.09Å; I342-R344 VanDerWaalsContact O-N 3.1Å
345M69.7Low70.3Confident38 Ų3894.4 Ų94.419%0.18746%0.457CS..SBendtrans-83.2148-177.1-62.4-179176.400111.1E341 I342 H347 D371E341-M345 WeakPolarHBondContact O-CG 3.35Å; I342-M345 WeakPolarHBondContact O-CB 3.5Å; I342-M345 PolarHBondContact O-N 3.1Å; M345-H347 PolarHBondContact O-CD2 3.34Å; M345-D371 HydrophobicContact CB-CB 4.35Å
346C71.2Confident72.4Confident65 Ų6589.5 Ų89.544%0.43944%0.437SS..PPolyproline II helixtrans-72.6135170.8-51.40000108.8Y348 T370 D371C346-Y348 HydrophobicContact CB-CE2 3.78Å; C346-T370 WeakPolarHBondContact O-CA 3.36Å; C346-D371 WeakPolarHBondContact CB-OD2 3.32Å; C346-D371 PolarHBondContact N-OD2 3.3Å; C346-D371 VanDerWaalsContact N-OD2 3.08Å; C346-D371 PolarHBondContact O-N 3.19Å; C346-D371 PolarHBondContact SG-OD2 2.88Å
347H80.6Confident74Confident113 Ų11387.8 Ų87.852%0.52342%0.421SS..EExtended strand (participates in β ladder)trans-97.5122.9172.9-69.4-93.7000108.9M345M345-H347 PolarHBondContact O-CD2 3.34Å
348Y86.6Confident75.6Confident56 Ų5689.2 Ų89.222%0.2244%0.441CS..EExtended strand (participates in β ladder)trans-110.6147.5172.2-57.3-83.2000109.1C346 E368 F369 D371 L407C346-Y348 HydrophobicContact CB-CE2 3.78Å; Y348-E368 CarbonylContact O-C 3.56Å; Y348-E368 VanDerWaalsContact O-CA 3.29Å; Y348-E368 WeakPolarHBondContact O-CA 3.43Å; Y348-F369 VanDerWaalsContact CB-CE2 3.43Å; Y348-F369 AromaticContact CD2-CD2 3.89Å; Y348-F369 HydrophobicContact CD2-CD2 3.89Å; Y348-F369 AromaticContact CD2-CE2 3.5Å; Y348-F369 HydrophobicContact CD2-CE2 3.5Å; Y348-F369 HydrophobicContact CD2-CZ 4.16Å; Y348-F369 HydrophobicContact CE2-CE2 4.46Å; Y348-F369 HydrophobicContact CG-CD2 4.28Å; Y348-F369 AromaticContact CG-CE2 3.66Å; Y348-F369 HydrophobicContact CG-CE2 3.66Å; Y348-F369 AromaticContact CG-CZ 3.81Å; Y348-F369 HydrophobicContact CG-CZ 3.81Å; Y348-F369 PolarHBondContact N-O 3.15Å; Y348-F369 PolarHBondContact O-N 3.45Å; Y348-D371 WeakPolarHBondContact CE2-OD1 3.36Å; Y348-L407 HydrophobicContact CD1-CD1 4.07Å; Y348-L407 HydrophobicContact CD1-CD2 4.31Å; Y348-L407 HydrophobicContact CE1-CD1 4.24Å; Y348-L407 HydrophobicContact CE1-CD2 3.73Å; Y348-L407 HydrophobicContact CG-CD1 4.32Å
349Q87.9Confident77.1Confident119 Ų11991 Ų9156%0.55645%0.45SS*.EExtended strand (participates in β ladder)trans-126.3142177.7-62.3179.8-18.100109.1G367 E368 P405Q349-G367 WeakPolarHBondContact CA-O 3.5Å; Q349-E368 HydrophobicContact CG-CB 4.28Å; Q349-E368 HydrophobicContact CG-CG 3.92Å; Q349-E368 PolarHBondContact NE2-OE1 2.76Å; Q349-P405 WeakPolarHBondContact O-CD 3.38Å
350Y89.8Confident79Confident3 Ų384.5 Ų84.51%0.01242%0.42CS..EExtended strand (participates in β ladder)trans-110.6134.4164.456.8-92.3000108.9M353 I364 L365 E366 G367 F369 F388 P548Y350-M353 HydrophobicContact CD2-CE 4.2Å; Y350-I364 HydrophobicContact CD2-CG2 4.11Å; Y350-I364 HydrophobicContact CE2-CG2 3.82Å; Y350-L365 VanDerWaalsContact CE2-O 3.24Å; Y350-L365 WeakPolarHBondContact CE2-O 3.47Å; Y350-E366 WeakPolarHBondContact O-CA 3.41Å; Y350-G367 WeakPolarHBondContact CD1-O 3.45Å; Y350-G367 PolarHBondContact N-O 3.32Å; Y350-G367 PolarHBondContact O-N 3.15Å; Y350-G367 VanDerWaalsContact O-N 3.09Å; Y350-F369 AromaticContact CD1-CD1 3.99Å; Y350-F369 HydrophobicContact CD1-CD1 3.99Å; Y350-F369 HydrophobicContact CD1-CE1 4.17Å; Y350-F369 HydrophobicContact CE1-CD1 4.34Å; Y350-F388 HydrophobicContact CD2-CZ 4.23Å; Y350-F388 HydrophobicContact CE1-CZ 4.47Å; Y350-F388 HydrophobicContact CE2-CE2 4.48Å; Y350-F388 AromaticContact CE2-CZ 3.8Å; Y350-F388 HydrophobicContact CE2-CZ 3.8Å; Y350-F388 AromaticContact CZ-CZ 3.94Å; Y350-P548 HydrophobicContact CE1-CG 4.4Å; Y350-P548 WeakPolarHBondContact OH-CD 3.34Å; Y350-P548 VanDerWaalsContact OH-CG 3.24Å; Y350-P548 WeakPolarHBondContact OH-CG 3.44Å
351P91.4Very high81Confident42 Ų4278.4 Ų78.427%0.27340%0.397SS..  trans-72.1168.5-177.630.8-34.8000110.8M353 G402P351-M353 HydrophobicContact CG-CG 4.4Å; P351-M353 PolarHBondContact O-N 3.24Å; P351-G402 WeakPolarHBondContact CG-O 3.44Å
352H92.8Very high82.7Confident67 Ų6773 Ų7331%0.3137%0.372SS..  trans-56.5130.6164.1-175.2-73.6000109.8E363 I364 G401H352-E363 IonicContact CE1-OE1 3.09Å; H352-E363 PolarHBondContact CE1-OE1 2.83Å; H352-E363 WeakPolarHBondContact NE2-CG 3.25Å; H352-E363 IonicContact NE2-OE1 2.85Å; H352-E363 PolarHBondContact NE2-OE1 3.32Å; H352-I364 WeakPolarHBondContact CA-O 3.31Å; H352-I364 PolarHBondContact CD2-O 3.35Å; H352-G401 WeakPolarHBondContact O-CA 3.24Å
353M92.4Very high84.4Confident0 Ų073.1 Ų73.10%037%0.371CS..EExtended strand (participates in β ladder)trans-134.6144.9-178.8-68.8176.5-76.100110.6Y350 P351 I364 F388 M391 P398 E400 V404Y350-M353 HydrophobicContact CD2-CE 4.2Å; P351-M353 HydrophobicContact CG-CG 4.4Å; P351-M353 PolarHBondContact O-N 3.24Å; M353-I364 HydrophobicContact CB-CB 4.24Å; M353-I364 HydrophobicContact CB-CD1 4.22Å; M353-I364 HydrophobicContact CE-CD1 4.22Å; M353-I364 HydrophobicContact CE-CG2 4.11Å; M353-I364 PolarHBondContact N-O 3.37Å; M353-I364 PolarHBondContact O-N 3.22Å; M353-F388 HydrophobicContact CE-CE2 4.02Å; M353-M391 HydrophobicContact CB-CE 3.91Å; M353-M391 HydrophobicContact CG-CE 4.39Å; M353-M391 HydrophobicContact SD-CE 3.76Å; M353-P398 HydrophobicContact CB-CB 4.16Å; M353-P398 HydrophobicContact CG-CB 4.16Å; M353-P398 HydrophobicContact CG-CG 4.4Å; M353-P398 HydrophobicContact SD-CB 4.33Å; M353-P398 HydrophobicContact SD-CG 4.25Å; M353-E400 CarbonylContact C-O 3.52Å; M353-E400 VanDerWaalsContact CA-O 3.31Å; M353-E400 WeakPolarHBondContact CA-O 3.47Å; M353-V404 HydrophobicContact CE-CG2 4.16Å; M353-V404 HydrophobicContact SD-CG2 3.92Å
354K92.6Very high86.3Confident74 Ų7464.8 Ų64.832%0.32234%0.335SS..EExtended strand (participates in β ladder)trans-122.9144.4168.3-59.3-172.2-173.3170.60111.4L362 E363 D399 E400K354-L362 CarbonylContact C-O 3.57Å; K354-L362 WeakPolarHBondContact CA-O 3.47Å; K354-E363 WeakPolarHBondContact CE-OE1 3.49Å; K354-E363 HydrophobicContact CG-CG 4.3Å; K354-D399 PolarHBondContact O-N 3.13Å; K354-E400 HydrophobicContact CB-CB 4.18Å; K354-E400 PolarHBondContact N-O 3.11Å; K354-E400 PolarHBondContact O-N 3.32Å
355K90.9Very high87.9Confident23 Ų2356.4 Ų56.410%0.131%0.307CS..EExtended strand (participates in β ladder)trans-138.1122.4175.5-172.174.3-159.7165.90110.6M357 L362 T387 M391 L396 K397 D399K355-M357 HydrophobicContact CG-CG 4.14Å; K355-L362 HydrophobicContact CB-CB 4.46Å; K355-L362 PolarHBondContact N-O 3.03Å; K355-L362 PolarHBondContact O-N 2.93Å; K355-T387 HydrophobicContact CG-CG2 4.32Å; K355-M391 HydrophobicContact CB-CE 4.4Å; K355-M391 HydrophobicContact CB-SD 3.94Å; K355-M391 HydrophobicContact CG-SD 4.29Å; K355-L396 HydrophobicContact CD-CD2 4.2Å; K355-L396 HydrophobicContact CD-CG 4.37Å; K355-L396 HydrophobicContact CG-CD2 4.25Å; K355-K397 VanDerWaalsContact CD-O 3.29Å; K355-K397 WeakPolarHBondContact CD-O 3.49Å; K355-K397 WeakPolarHBondContact CE-O 3.42Å; K355-K397 PolarHBondContact NZ-O 3.48Å; K355-D399 WeakPolarHBondContact CA-OD2 3.42Å; K355-D399 WeakPolarHBondContact CD-OD2 3.3Å; K355-D399 WeakPolarHBondContact CE-OD2 3.5Å; K355-D399 IonicContact NZ-OD1 3.32Å; K355-D399 PolarHBondContact NZ-OD1 3.25Å; K355-D399 IonicContact NZ-OD2 3.99Å; K355-D399 PolarHBondContact NZ-OD2 2.91Å
356N90.9Very high89Confident89 Ų8961.1 Ų61.148%0.47633%0.328SS..EExtended strand (participates in β ladder)trans-106.2131.2173.8-63.4-27.9000109.4F360 A361 D399N356-F360 CarbonylContact C-O 3.57Å; N356-F360 WeakPolarHBondContact CA-O 3.05Å; N356-A361 WeakPolarHBondContact OD1-CB 3.2Å; N356-D399 PolarHBondContact N-OD2 2.8Å
357M84.4Confident90Very high79 Ų7958.3 Ų58.339%0.38931%0.31SS..EExtended strand (participates in β ladder)trans-133.987.9178.5-64.4-168.5-60.900109.2K355 D359 F360 T387 L396K355-M357 HydrophobicContact CG-CG 4.14Å; M357-D359 PolarHBondContact O-N 3.15Å; M357-F360 HydrophobicContact CB-CD1 4.44Å; M357-F360 HydrophobicContact CE-CD1 3.62Å; M357-F360 HydrophobicContact CE-CE1 3.85Å; M357-F360 PolarHBondContact N-O 3.37Å; M357-F360 PolarHBondContact O-N 3.28Å; M357-T387 HydrophobicContact CE-CG2 3.59Å; M357-T387 WeakPolarHBondContact CE-OG1 3.24Å; M357-T387 HydrophobicContact SD-CG2 4.02Å; M357-L396 HydrophobicContact SD-CD2 4.34Å
358G84.9Confident90.5Very high77 Ų7757 Ų5779%0.79430%0.304SS*.THydrogen-bonded Turntrans63-120.9-172.600000110.3F360G358-F360 VanDerWaalsContact C-N 3.28Å; G358-F360 PolarHBondContact O-N 3.05Å
359D83.8Confident90.6Very high159 Ų15954.6 Ų54.685%0.8530%0.295SS*.THydrogen-bonded Turntrans-82-2.9-179.8-57.7-33.9000114M357M357-D359 PolarHBondContact O-N 3.15Å
360F88.8Confident90.6Very high22 Ų2249.7 Ų49.710%0.09627%0.273CS..EExtended strand (participates in β ladder)trans-102123.2-178.7174.2-107.2000111.5N356 M357 G358 L362 G382 R541 T543N356-F360 CarbonylContact C-O 3.57Å; N356-F360 WeakPolarHBondContact CA-O 3.05Å; M357-F360 HydrophobicContact CB-CD1 4.44Å; M357-F360 HydrophobicContact CE-CD1 3.62Å; M357-F360 HydrophobicContact CE-CE1 3.85Å; M357-F360 PolarHBondContact N-O 3.37Å; M357-F360 PolarHBondContact O-N 3.28Å; G358-F360 VanDerWaalsContact C-N 3.28Å; G358-F360 PolarHBondContact O-N 3.05Å; F360-L362 HydrophobicContact CE1-CB 3.71Å; F360-L362 HydrophobicContact CZ-CB 3.88Å; F360-L362 HydrophobicContact CZ-CD1 4.49Å; F360-G382 WeakPolarHBondContact CE2-O 3.41Å; F360-R541 WeakPolarHBondContact CA-O 3.42Å; F360-T543 HydrophobicContact CE2-CG2 4.21Å; F360-T543 WeakPolarHBondContact CE2-OG1 3.43Å; F360-T543 WeakPolarHBondContact CZ-OG1 3.45Å
361A92.2Very high90.3Very high33 Ų3351 Ų5127%0.27328%0.281SS..EExtended strand (participates in β ladder)trans-110.5125172.800000110.8N356 R541 S542 T543N356-A361 WeakPolarHBondContact OD1-CB 3.2Å; A361-R541 PolarHBondContact N-O 3.11Å; A361-S542 VanDerWaalsContact O-CA 3.31Å; A361-S542 WeakPolarHBondContact O-CA 3.27Å; A361-T543 PolarHBondContact O-N 3.32Å
362L93.1Very high90Very high2 Ų250.1 Ų50.11%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-112.6121.1173.817564000109.4K354 K355 F360 I364 T387 F535 T543K354-L362 CarbonylContact C-O 3.57Å; K354-L362 WeakPolarHBondContact CA-O 3.47Å; K355-L362 HydrophobicContact CB-CB 4.46Å; K355-L362 PolarHBondContact N-O 3.03Å; K355-L362 PolarHBondContact O-N 2.93Å; F360-L362 HydrophobicContact CE1-CB 3.71Å; F360-L362 HydrophobicContact CZ-CB 3.88Å; F360-L362 HydrophobicContact CZ-CD1 4.49Å; L362-I364 HydrophobicContact CD1-CG1 4.5Å; L362-I364 HydrophobicContact CD2-CD1 4.16Å; L362-I364 HydrophobicContact CD2-CG1 4.3Å; L362-I364 HydrophobicContact CG-CD1 4.42Å; L362-I364 HydrophobicContact CG-CG1 4.14Å; L362-T387 HydrophobicContact CD2-CG2 3.99Å; L362-F535 HydrophobicContact CD1-CD1 4.32Å; L362-F535 HydrophobicContact CD1-CE1 4.01Å; L362-T543 WeakPolarHBondContact CA-O 3.46Å
363E94.3Very high89.7Confident71 Ų7148 Ų4833%0.33227%0.266SS..EExtended strand (participates in β ladder)trans-103.8132.8169.3-176164.9-149.900109.3H352 K354 L365 T543 A544 A545H352-E363 IonicContact CE1-OE1 3.09Å; H352-E363 PolarHBondContact CE1-OE1 2.83Å; H352-E363 WeakPolarHBondContact NE2-CG 3.25Å; H352-E363 IonicContact NE2-OE1 2.85Å; H352-E363 PolarHBondContact NE2-OE1 3.32Å; K354-E363 WeakPolarHBondContact CE-OE1 3.49Å; K354-E363 HydrophobicContact CG-CG 4.3Å; E363-L365 HydrophobicContact CG-CD2 4.47Å; E363-T543 PolarHBondContact N-O 3.41Å; E363-A544 CarbonylContact O-C 3.59Å; E363-A544 VanDerWaalsContact O-CA 3.22Å; E363-A544 WeakPolarHBondContact O-CA 3.15Å; E363-A545 PolarHBondContact O-N 3.34Å
364I94.3Very high89.8Confident0 Ų048 Ų480%027%0.266CS..EExtended strand (participates in β ladder)trans-117.6115176.3-63.1154.6000106.2Y350 H352 M353 L362 F388 M391 A545Y350-I364 HydrophobicContact CD2-CG2 4.11Å; Y350-I364 HydrophobicContact CE2-CG2 3.82Å; H352-I364 WeakPolarHBondContact CA-O 3.31Å; H352-I364 PolarHBondContact CD2-O 3.35Å; M353-I364 HydrophobicContact CB-CB 4.24Å; M353-I364 HydrophobicContact CB-CD1 4.22Å; M353-I364 HydrophobicContact CE-CD1 4.22Å; M353-I364 HydrophobicContact CE-CG2 4.11Å; M353-I364 PolarHBondContact N-O 3.37Å; M353-I364 PolarHBondContact O-N 3.22Å; L362-I364 HydrophobicContact CD1-CG1 4.5Å; L362-I364 HydrophobicContact CD2-CD1 4.16Å; L362-I364 HydrophobicContact CD2-CG1 4.3Å; L362-I364 HydrophobicContact CG-CD1 4.42Å; L362-I364 HydrophobicContact CG-CG1 4.14Å; I364-F388 HydrophobicContact CD1-CB 4.32Å; I364-F388 HydrophobicContact CD1-CD2 3.38Å; I364-F388 HydrophobicContact CD1-CE2 3.9Å; I364-F388 HydrophobicContact CD1-CG 4.03Å; I364-F388 HydrophobicContact CG1-CD2 4Å; I364-F388 HydrophobicContact CG1-CE2 4.32Å; I364-F388 HydrophobicContact CG1-CG 4.33Å; I364-F388 HydrophobicContact CG2-CD2 4.24Å; I364-F388 HydrophobicContact CG2-CE1 4.48Å; I364-F388 HydrophobicContact CG2-CE2 3.7Å; I364-F388 HydrophobicContact CG2-CZ 3.83Å; I364-M391 HydrophobicContact CD1-CE 3.68Å; I364-M391 HydrophobicContact CD1-SD 3.78Å; I364-A545 HydrophobicContact CB-CB 4.45Å; I364-A545 HydrophobicContact CG1-CB 4.14Å; I364-A545 HydrophobicContact CG2-CB 4.41Å
365L94.1Very high89.8Confident53 Ų5344.5 Ų44.528%0.27725%0.25SS..  trans-69.6151.7174.2-58.7-175.9000109.8Y350 E363 A545 T547Y350-L365 VanDerWaalsContact CE2-O 3.24Å; Y350-L365 WeakPolarHBondContact CE2-O 3.47Å; E363-L365 HydrophobicContact CG-CD2 4.47Å; L365-A545 WeakPolarHBondContact CB-O 3.46Å; L365-A545 WeakPolarHBondContact CG-O 3.45Å; L365-A545 PolarHBondContact N-O 3.38Å; L365-T547 HydrophobicContact CB-CG2 3.92Å; L365-T547 HydrophobicContact CD1-CG2 4.42Å
366E92.7Very high90Very high136 Ų13643.4 Ų43.464%0.63625%0.246SC*.  trans-57.7145175.965.6-175.6-179.500111.5Y350 T547Y350-E366 WeakPolarHBondContact O-CA 3.41Å; E366-T547 WeakPolarHBondContact O-CG2 3.35Å
367G91.6Very high90.2Very high6 Ų639.2 Ų39.26%0.06222%0.223CC..EExtended strand (participates in β ladder)trans-155.9158.8-178.200000113.1Q349 Y350Q349-G367 WeakPolarHBondContact CA-O 3.5Å; Y350-G367 WeakPolarHBondContact CD1-O 3.45Å; Y350-G367 PolarHBondContact N-O 3.32Å; Y350-G367 PolarHBondContact O-N 3.15Å; Y350-G367 VanDerWaalsContact O-N 3.09Å
368E90.7Very high90.5Very high87 Ų8735.6 Ų35.641%0.40721%0.205SC..EExtended strand (participates in β ladder)trans-119.8146.4-178.6-38.9-166.7148.200110.6Y348 Q349 R531Y348-E368 CarbonylContact O-C 3.56Å; Y348-E368 VanDerWaalsContact O-CA 3.29Å; Y348-E368 WeakPolarHBondContact O-CA 3.43Å; Q349-E368 HydrophobicContact CG-CB 4.28Å; Q349-E368 HydrophobicContact CG-CG 3.92Å; Q349-E368 PolarHBondContact NE2-OE1 2.76Å; E368-R531 PolarHBondContact O-NH1 3.45Å
369F89.8Confident90.7Very high4 Ų432 Ų322%0.01817%0.168CC..EExtended strand (participates in β ladder)trans-140.9151.4173.664-87.5000111.3Y348 Y350 M375 L407 V482 T514 F516Y348-F369 VanDerWaalsContact CB-CE2 3.43Å; Y348-F369 AromaticContact CD2-CD2 3.89Å; Y348-F369 HydrophobicContact CD2-CD2 3.89Å; Y348-F369 AromaticContact CD2-CE2 3.5Å; Y348-F369 HydrophobicContact CD2-CE2 3.5Å; Y348-F369 HydrophobicContact CD2-CZ 4.16Å; Y348-F369 HydrophobicContact CE2-CE2 4.46Å; Y348-F369 HydrophobicContact CG-CD2 4.28Å; Y348-F369 AromaticContact CG-CE2 3.66Å; Y348-F369 HydrophobicContact CG-CE2 3.66Å; Y348-F369 AromaticContact CG-CZ 3.81Å; Y348-F369 HydrophobicContact CG-CZ 3.81Å; Y348-F369 PolarHBondContact N-O 3.15Å; Y348-F369 PolarHBondContact O-N 3.45Å; Y350-F369 AromaticContact CD1-CD1 3.99Å; Y350-F369 HydrophobicContact CD1-CD1 3.99Å; Y350-F369 HydrophobicContact CD1-CE1 4.17Å; Y350-F369 HydrophobicContact CE1-CD1 4.34Å; F369-M375 HydrophobicContact CB-CE 3.2Å; F369-M375 HydrophobicContact CB-SD 3.6Å; F369-M375 HydrophobicContact CD1-CE 4.48Å; F369-M375 HydrophobicContact CD2-CE 4.23Å; F369-M375 HydrophobicContact CG-CE 3.77Å; F369-L407 HydrophobicContact CE2-CD1 4.11Å; F369-L407 HydrophobicContact CZ-CD1 3.86Å; F369-V482 HydrophobicContact CE2-CG2 4.22Å; F369-T514 HydrophobicContact CD2-CG2 3.86Å; F369-T514 HydrophobicContact CE2-CG2 4.49Å; F369-F516 HydrophobicContact CD1-CZ 4.09Å; F369-F516 HydrophobicContact CE1-CZ 4.36Å; F369-F516 HydrophobicContact CG-CZ 4.29Å
370T86.6Confident90.8Very high17 Ų1726.4 Ų26.410%0.10414%0.137CC..EExtended strand (participates in β ladder)trans-107.8165.3178.262.30000111.7C346 E373 T514C346-T370 WeakPolarHBondContact O-CA 3.36Å; T370-E373 PolarHBondContact N-OE2 2.94Å; T370-T514 PolarHBondContact O-OG1 2.84Å
371D83.6Confident90.7Very high31 Ų3127.7 Ų27.717%0.16615%0.145CC..THydrogen-bonded Turntrans-57.5153.2162.1-68.7-43.4000110.4M345 C346 Y348 E373 T514M345-D371 HydrophobicContact CB-CB 4.35Å; C346-D371 WeakPolarHBondContact CB-OD2 3.32Å; C346-D371 PolarHBondContact N-OD2 3.3Å; C346-D371 VanDerWaalsContact N-OD2 3.08Å; C346-D371 PolarHBondContact O-N 3.19Å; C346-D371 PolarHBondContact SG-OD2 2.88Å; Y348-D371 WeakPolarHBondContact CE2-OD1 3.36Å; D371-E373 PolarHBondContact O-N 3.2Å; D371-T514 WeakPolarHBondContact CA-OG1 3.36Å
372S84.9Confident90.2Very high22 Ų2228 Ų2815%0.15415%0.151CC..THydrogen-bonded Turntrans63.620.3174.9-45.60000115.7K512 K513S372-K512 WeakPolarHBondContact OG-CA 3.3Å; S372-K512 WeakPolarHBondContact OG-CB 3.38Å; S372-K513 WeakPolarHBondContact CA-O 3.47Å; S372-K513 PolarHBondContact N-O 3.32Å; S372-K513 VanDerWaalsContact N-O 3.13Å
373E88.1Confident90Very high24 Ų2428 Ų2811%0.11215%0.152CC..  trans-111.3144.3-178.6-176.8169.9-130.500112.2T370 D371 T514 A515 D530 R531T370-E373 PolarHBondContact N-OE2 2.94Å; D371-E373 PolarHBondContact O-N 3.2Å; E373-T514 WeakPolarHBondContact O-CA 3.27Å; E373-T514 VanDerWaalsContact O-CG2 3.29Å; E373-T514 WeakPolarHBondContact O-CG2 3.41Å; E373-A515 PolarHBondContact O-N 2.76Å; E373-D530 HydrophobicContact CG-CB 4.19Å; E373-R531 WeakPolarHBondContact OE1-CD 3.47Å; E373-R531 WeakPolarHBondContact OE1-CG 3.46Å; E373-R531 IonicContact OE2-NH1 3.35Å
374I92.6Very high89.6Confident0 Ų025 Ų250%014%0.139CC..EExtended strand (participates in β ladder)trans-109.1113.7171.2-56.1176.2000110V376 K505 I508 A515 V517 L528 D530 R531I374-V376 HydrophobicContact CG2-CG2 4.33Å; I374-K505 HydrophobicContact CD1-CB 4.21Å; I374-K505 HydrophobicContact CD1-CG 4.18Å; I374-I508 HydrophobicContact CD1-CB 4.26Å; I374-I508 HydrophobicContact CD1-CG2 4.22Å; I374-I508 HydrophobicContact CG1-CB 4.38Å; I374-I508 HydrophobicContact CG1-CG2 3.82Å; I374-A515 WeakPolarHBondContact CA-O 3.46Å; I374-A515 HydrophobicContact CG1-CB 4.42Å; I374-V517 HydrophobicContact CG2-CG2 4.05Å; I374-L528 WeakPolarHBondContact CB-O 3.39Å; I374-L528 HydrophobicContact CG2-CB 4.2Å; I374-L528 WeakPolarHBondContact CG2-O 3.27Å; I374-D530 PolarHBondContact N-OD2 3.29Å; I374-D530 PolarHBondContact O-N 3.46Å; I374-R531 PolarHBondContact O-N 3.15Å
375M94.3Very high89.5Confident0 Ų025.5 Ų25.50%014%0.141CC..EExtended strand (participates in β ladder)trans-96.5121.4171.9-72.8170.1-77.700110.4F369 T514 A515 F516 V517 R531 I533 P548F369-M375 HydrophobicContact CB-CE 3.2Å; F369-M375 HydrophobicContact CB-SD 3.6Å; F369-M375 HydrophobicContact CD1-CE 4.48Å; F369-M375 HydrophobicContact CD2-CE 4.23Å; F369-M375 HydrophobicContact CG-CE 3.77Å; M375-T514 HydrophobicContact CE-CG2 3.64Å; M375-A515 PolarHBondContact N-O 2.88Å; M375-F516 HydrophobicContact CB-CD1 3.9Å; M375-F516 HydrophobicContact CB-CE1 4.25Å; M375-F516 HydrophobicContact CE-CD1 3.75Å; M375-F516 HydrophobicContact CE-CD2 3.91Å; M375-F516 HydrophobicContact CE-CE1 3.24Å; M375-F516 HydrophobicContact CE-CE2 3.4Å; M375-F516 HydrophobicContact CE-CG 4.1Å; M375-F516 HydrophobicContact CE-CZ 3.06Å; M375-F516 CarbonylContact O-C 3.46Å; M375-F516 WeakPolarHBondContact O-CA 3.31Å; M375-F516 HydrophobicContact SD-CD1 4.02Å; M375-F516 HydrophobicContact SD-CE1 3.4Å; M375-F516 WeakPolarHBondContact SD-CE1 3.25Å; M375-F516 HydrophobicContact SD-CZ 3.76Å; M375-V517 PolarHBondContact O-N 3.27Å; M375-R531 WeakPolarHBondContact CA-O 3.2Å; M375-R531 HydrophobicContact CG-CB 4.21Å; M375-I533 HydrophobicContact CB-CD1 4.43Å; M375-I533 HydrophobicContact SD-CD1 4.26Å; M375-P548 HydrophobicContact SD-CB 4.45Å; M375-P548 HydrophobicContact SD-CG 4.3Å
376V95.1Very high89.3Confident0 Ų024.2 Ų24.20%014%0.136CC..EExtended strand (participates in β ladder)trans-99.6129174.6176.20000110.5I374 L378 V517 E519 A525 L528 A529 R531 V532 I533I374-V376 HydrophobicContact CG2-CG2 4.33Å; V376-L378 HydrophobicContact CG1-CD2 3.82Å; V376-L378 HydrophobicContact CG1-CG 4.12Å; V376-V517 CarbonylContact C-O 3.56Å; V376-V517 VanDerWaalsContact CA-O 3.28Å; V376-V517 WeakPolarHBondContact CA-O 3.43Å; V376-V517 HydrophobicContact CG2-CB 4.36Å; V376-E519 HydrophobicContact CG1-CB 4.45Å; V376-A525 HydrophobicContact CG1-CB 3.95Å; V376-L528 HydrophobicContact CG2-CB 4.1Å; V376-A529 HydrophobicContact CB-CB 3.8Å; V376-A529 HydrophobicContact CG2-CB 3.5Å; V376-A529 VanDerWaalsContact CG2-CB 3.5Å; V376-R531 PolarHBondContact N-O 2.78Å; V376-V532 CarbonylContact O-C 3.59Å; V376-V532 VanDerWaalsContact O-CA 3.29Å; V376-V532 WeakPolarHBondContact O-CA 3.47Å; V376-I533 PolarHBondContact O-N 3.34Å
377M94.8Very high89.2Confident0 Ų018.6 Ų18.60%011%0.111CC..EExtended strand (participates in β ladder)trans-95.5121.3175.6-63.8-175.5-173.400110.1F388 I389 L392 F516 V517 V518 I533 F535M377-F388 HydrophobicContact CE-CD1 3.27Å; M377-F388 HydrophobicContact CE-CE1 3.44Å; M377-F388 VanDerWaalsContact CE-CE1 3.44Å; M377-F388 HydrophobicContact CE-CG 4.17Å; M377-F388 HydrophobicContact CE-CZ 4.42Å; M377-F388 HydrophobicContact SD-CD1 3.73Å; M377-F388 HydrophobicContact SD-CE1 4.36Å; M377-I389 HydrophobicContact CE-CG1 4.03Å; M377-I389 HydrophobicContact SD-CD1 4.45Å; M377-I389 HydrophobicContact SD-CG1 4Å; M377-L392 HydrophobicContact CE-CD1 4.03Å; M377-F516 HydrophobicContact CE-CB 4.04Å; M377-F516 HydrophobicContact CE-CD1 3.43Å; M377-F516 VanDerWaalsContact CE-CD1 3.43Å; M377-F516 HydrophobicContact CE-CE1 4.18Å; M377-F516 HydrophobicContact CE-CG 4.08Å; M377-V517 PolarHBondContact N-O 2.96Å; M377-V518 HydrophobicContact CB-CG2 3.82Å; M377-V518 HydrophobicContact CG-CG2 4.31Å; M377-V518 HydrophobicContact SD-CG2 3.87Å; M377-I533 WeakPolarHBondContact CA-O 3.26Å; M377-I533 HydrophobicContact CE-CD1 4.43Å; M377-I533 HydrophobicContact CG-CB 4.24Å; M377-I533 HydrophobicContact CG-CD1 4.46Å; M377-F535 HydrophobicContact CB-CE2 4.03Å; M377-F535 HydrophobicContact CG-CE2 4.17Å; M377-F535 HydrophobicContact SD-CE2 4.1Å; M377-F535 HydrophobicContact SD-CZ 4.3Å
378L91.3Very high89.2Confident3 Ų318.3 Ų18.32%0.01611%0.108CC..EExtended strand (participates in β ladder)trans-117.7144.4179.2-60.9179.7000111V376 E519 A525 V532 I533 F535 M555 F558V376-L378 HydrophobicContact CG1-CD2 3.82Å; V376-L378 HydrophobicContact CG1-CG 4.12Å; L378-E519 WeakPolarHBondContact CD2-O 3.28Å; L378-A525 HydrophobicContact CD2-CB 4.05Å; L378-V532 HydrophobicContact CB-CG1 4.46Å; L378-V532 HydrophobicContact CD1-CG1 3.69Å; L378-V532 HydrophobicContact CG-CG1 4.01Å; L378-I533 PolarHBondContact N-O 2.87Å; L378-F535 PolarHBondContact O-N 3.1Å; L378-M555 HydrophobicContact CD1-SD 3.44Å; L378-M555 WeakPolarHBondContact CD1-SD 3.46Å; L378-F558 HydrophobicContact CB-CD1 4.24Å; L378-F558 HydrophobicContact CB-CD2 4.15Å; L378-F558 HydrophobicContact CB-CE1 4.33Å; L378-F558 HydrophobicContact CB-CE2 4.26Å; L378-F558 HydrophobicContact CB-CG 4.14Å; L378-F558 HydrophobicContact CB-CZ 4.33Å; L378-F558 HydrophobicContact CD1-CD1 3.94Å; L378-F558 HydrophobicContact CD1-CE1 4.39Å; L378-F558 HydrophobicContact CD1-CG 4.31Å
379G88.4Confident89.2Confident2 Ų214.1 Ų14.12%0.0219%0.089CC..  trans166.5168.5178.800000112.6K385 H520G379-K385 PolarHBondContact O-NZ 3.47Å; G379-H520 PolarHBondContact O-CE1 2.83Å
380E86.5Confident89.2Confident42 Ų4219.6 Ų19.620%0.19611%0.109CC..  trans-66.5164.3173.1-65.3-175.8-156.500112.1K250 T383 K385 P539K250-E380 HydrophobicContact CB-CG 4.43Å; K250-E380 VanDerWaalsContact CD-CD 3.45Å; K250-E380 HydrophobicContact CD-CG 4.33Å; K250-E380 WeakPolarHBondContact CD-OE1 3.35Å; K250-E380 WeakPolarHBondContact CE-OE1 3.47Å; K250-E380 IonicContact NZ-OE1 3.67Å; K250-E380 PolarHBondContact NZ-OE1 2.97Å; K250-E380 IonicContact NZ-OE2 2.72Å; K250-E380 PolarHBondContact NZ-OE2 3.28Å; E380-T383 HydrophobicContact CB-CG2 3.92Å; E380-T383 VanDerWaalsContact O-CG2 3.31Å; E380-T383 WeakPolarHBondContact O-CG2 3.34Å; E380-T383 PolarHBondContact O-N 3.47Å; E380-T383 PolarHBondContact O-OG1 3.28Å; E380-K385 PolarHBondContact O-NZ 3.46Å; E380-P539 HydrophobicContact CB-CG 4.03Å; E380-P539 WeakPolarHBondContact OE2-CG 3.25Å
381N85.8Confident89.3Confident48 Ų4819 Ų1926%0.25711%0.105SC..THydrogen-bonded Turntrans-65.8139.6172.3-78.3-17.4000110.2Y246 D248 H520 P539Y246-N381 PolarHBondContact O-ND2 2.92Å; D248-N381 HydrophobicContact CB-CB 4.25Å; D248-N381 PolarHBondContact N-ND2 3.04Å; D248-N381 PolarHBondContact OD2-N 3.29Å; N381-H520 PolarHBondContact OD1-CE1 3.48Å; N381-H520 PolarHBondContact OD1-NE2 2.97Å; N381-P539 WeakPolarHBondContact O-CB 3.44Å
382G82.8Confident89.5Confident40 Ų4018.3 Ų18.341%0.41210%0.101SC..THydrogen-bonded Turntrans80.811.7-17800000115.1F360 G384 S540F360-G382 WeakPolarHBondContact CE2-O 3.41Å; G382-G384 VanDerWaalsContact C-N 3.32Å; G382-S540 PolarHBondContact O-N 2.76Å
383T87.1Confident89.6Confident3 Ų318.3 Ų18.32%0.01810%0.103CC..SBendtrans-83.9-2.6173.461.60000114.7E380 F535 T543E380-T383 HydrophobicContact CB-CG2 3.92Å; E380-T383 VanDerWaalsContact O-CG2 3.31Å; E380-T383 WeakPolarHBondContact O-CG2 3.34Å; E380-T383 PolarHBondContact O-N 3.47Å; E380-T383 PolarHBondContact O-OG1 3.28Å; T383-F535 HydrophobicContact CG2-CB 4.43Å; T383-F535 VanDerWaalsContact O-CD1 3.25Å; T383-F535 WeakPolarHBondContact O-CD1 3.38Å; T383-T543 HydrophobicContact CG2-CG2 4.14Å; T383-T543 WeakPolarHBondContact O-CB 3.43Å; T383-T543 PolarHBondContact O-OG1 3.36Å
384G87.6Confident89.5Confident7 Ų720.3 Ų20.37%0.07213%0.129CC..SBendtrans92.911.8177.400000115.9G382 T386 T387 F388G382-G384 VanDerWaalsContact C-N 3.32Å; G384-T386 PolarHBondContact O-N 2.94Å; G384-T387 CarbonylContact O-C 3.49Å; G384-T387 WeakPolarHBondContact O-CA 3.39Å; G384-T387 VanDerWaalsContact O-CB 3.22Å; G384-T387 WeakPolarHBondContact O-CB 3.48Å; G384-T387 PolarHBondContact O-N 3.39Å; G384-F388 PolarHBondContact O-N 2.7Å
385K90.9Very high89.2Confident10 Ų1028.4 Ų28.44%0.04316%0.16CC..Hα-helixtrans-51.2-53.2176.5-57.9-173.1-64.2-88.60113.3G379 E380 T387 F388 I389 V518 H520 F535G379-K385 PolarHBondContact O-NZ 3.47Å; E380-K385 PolarHBondContact O-NZ 3.46Å; K385-T387 VanDerWaalsContact C-N 3.26Å; K385-T387 PolarHBondContact O-N 3.47Å; K385-F388 PolarHBondContact O-N 3.34Å; K385-I389 PolarHBondContact O-N 2.96Å; K385-V518 HydrophobicContact CB-CG1 4.14Å; K385-V518 HydrophobicContact CB-CG2 3.96Å; K385-V518 HydrophobicContact CD-CG1 3.96Å; K385-H520 PolarHBondContact NZ-CE1 3.06Å; K385-H520 PolarHBondContact NZ-NE2 3.1Å; K385-F535 HydrophobicContact CB-CE2 4.46Å; K385-F535 HydrophobicContact CB-CZ 4.34Å; K385-F535 HydrophobicContact CD-CD2 4.5Å; K385-F535 HydrophobicContact CG-CD1 4.3Å; K385-F535 HydrophobicContact CG-CD2 3.87Å; K385-F535 HydrophobicContact CG-CE1 4.29Å; K385-F535 HydrophobicContact CG-CE2 3.88Å; K385-F535 HydrophobicContact CG-CG 4.08Å; K385-F535 HydrophobicContact CG-CZ 4.08Å
386T89.9Confident88.8Confident26 Ų2630.7 Ų30.716%0.1617%0.172CC..Hα-helixtrans-63.6-32.6175.8-56.90000112.2G384 R390 D486G384-T386 PolarHBondContact O-N 2.94Å; T386-R390 VanDerWaalsContact O-CG 3.25Å; T386-R390 WeakPolarHBondContact O-CG 3.45Å; T386-R390 PolarHBondContact O-N 3.28Å; T386-D486 WeakPolarHBondContact CB-OD2 3.29Å; T386-D486 WeakPolarHBondContact CG2-OD2 3.41Å; T386-D486 PolarHBondContact OG1-OD2 3.37Å
387T90.5Very high88.4Confident18 Ų1838.5 Ų38.511%0.1121%0.206CC..Hα-helixtrans-65.2-46.4175.6-49.90000110.3K355 M357 L362 G384 K385 I389 R390 M391 L396K355-T387 HydrophobicContact CG-CG2 4.32Å; M357-T387 HydrophobicContact CE-CG2 3.59Å; M357-T387 WeakPolarHBondContact CE-OG1 3.24Å; M357-T387 HydrophobicContact SD-CG2 4.02Å; L362-T387 HydrophobicContact CD2-CG2 3.99Å; G384-T387 CarbonylContact O-C 3.49Å; G384-T387 WeakPolarHBondContact O-CA 3.39Å; G384-T387 VanDerWaalsContact O-CB 3.22Å; G384-T387 WeakPolarHBondContact O-CB 3.48Å; G384-T387 PolarHBondContact O-N 3.39Å; K385-T387 VanDerWaalsContact C-N 3.26Å; K385-T387 PolarHBondContact O-N 3.47Å; T387-I389 PolarHBondContact O-N 2.95Å; T387-R390 WeakPolarHBondContact O-CB 3.31Å; T387-R390 PolarHBondContact O-N 3.06Å; T387-R390 VanDerWaalsContact O-N 3.13Å; T387-M391 HydrophobicContact CG2-SD 4.38Å; T387-M391 WeakPolarHBondContact O-CG 3.19Å; T387-M391 PolarHBondContact O-N 3.5Å; T387-L396 HydrophobicContact CG2-CD2 3.56Å
388F91.9Very high88.1Confident0 Ų040.3 Ų40.30%022%0.218CC..Hα-helixtrans-61.1-45.8176.8-177.4-151.3000111.5Y350 M353 I364 M377 G384 K385 R390 M391 L392 I533 F535Y350-F388 HydrophobicContact CD2-CZ 4.23Å; Y350-F388 HydrophobicContact CE1-CZ 4.47Å; Y350-F388 HydrophobicContact CE2-CE2 4.48Å; Y350-F388 AromaticContact CE2-CZ 3.8Å; Y350-F388 HydrophobicContact CE2-CZ 3.8Å; Y350-F388 AromaticContact CZ-CZ 3.94Å; M353-F388 HydrophobicContact CE-CE2 4.02Å; I364-F388 HydrophobicContact CD1-CB 4.32Å; I364-F388 HydrophobicContact CD1-CD2 3.38Å; I364-F388 HydrophobicContact CD1-CE2 3.9Å; I364-F388 HydrophobicContact CD1-CG 4.03Å; I364-F388 HydrophobicContact CG1-CD2 4Å; I364-F388 HydrophobicContact CG1-CE2 4.32Å; I364-F388 HydrophobicContact CG1-CG 4.33Å; I364-F388 HydrophobicContact CG2-CD2 4.24Å; I364-F388 HydrophobicContact CG2-CE1 4.48Å; I364-F388 HydrophobicContact CG2-CE2 3.7Å; I364-F388 HydrophobicContact CG2-CZ 3.83Å; M377-F388 HydrophobicContact CE-CD1 3.27Å; M377-F388 HydrophobicContact CE-CE1 3.44Å; M377-F388 VanDerWaalsContact CE-CE1 3.44Å; M377-F388 HydrophobicContact CE-CG 4.17Å; M377-F388 HydrophobicContact CE-CZ 4.42Å; M377-F388 HydrophobicContact SD-CD1 3.73Å; M377-F388 HydrophobicContact SD-CE1 4.36Å; G384-F388 PolarHBondContact O-N 2.7Å; K385-F388 PolarHBondContact O-N 3.34Å; F388-R390 VanDerWaalsContact C-N 3.29Å; F388-R390 PolarHBondContact O-N 3.47Å; F388-M391 WeakPolarHBondContact O-CB 3.42Å; F388-M391 PolarHBondContact O-N 3.18Å; F388-M391 VanDerWaalsContact O-N 3.07Å; F388-L392 HydrophobicContact CD2-CD1 4.27Å; F388-L392 HydrophobicContact CD2-CG 4.05Å; F388-L392 HydrophobicContact CE1-CD1 4.29Å; F388-L392 HydrophobicContact CE2-CD1 3.9Å; F388-L392 HydrophobicContact CE2-CD2 3.87Å; F388-L392 HydrophobicContact CE2-CG 3.74Å; F388-L392 HydrophobicContact CZ-CD1 3.92Å; F388-L392 HydrophobicContact CZ-CD2 4.32Å; F388-L392 HydrophobicContact CZ-CG 4.25Å; F388-L392 PolarHBondContact O-N 2.91Å; F388-I533 HydrophobicContact CE1-CD1 4.18Å; F388-F535 HydrophobicContact CB-CE1 4.43Å; F388-F535 HydrophobicContact CB-CZ 3.98Å; F388-F535 HydrophobicContact CD1-CE2 4.42Å; F388-F535 AromaticContact CD1-CZ 3.78Å; F388-F535 HydrophobicContact CD1-CZ 3.78Å; F388-F535 HydrophobicContact CG-CZ 4.32Å
389I91.4Very high87.9Confident0 Ų044.2 Ų44.20%024%0.239CC..Hα-helixtrans-58-40.5173.6-80.1-169.9000112.1M377 K385 T387 M391 L392 A393 Y411 L484 D486 V518M377-I389 HydrophobicContact CE-CG1 4.03Å; M377-I389 HydrophobicContact SD-CD1 4.45Å; M377-I389 HydrophobicContact SD-CG1 4Å; K385-I389 PolarHBondContact O-N 2.96Å; T387-I389 PolarHBondContact O-N 2.95Å; I389-M391 VanDerWaalsContact C-N 3.28Å; I389-M391 PolarHBondContact O-N 3.01Å; I389-L392 PolarHBondContact O-N 2.99Å; I389-A393 VanDerWaalsContact O-CB 3.32Å; I389-A393 WeakPolarHBondContact O-CB 3.24Å; I389-A393 PolarHBondContact O-N 2.87Å; I389-Y411 HydrophobicContact CG2-CD2 3.73Å; I389-Y411 HydrophobicContact CG2-CE2 3.32Å; I389-L484 HydrophobicContact CG2-CB 3.98Å; I389-L484 HydrophobicContact CG2-CD1 4.18Å; I389-L484 WeakPolarHBondContact O-CD1 3.32Å; I389-D486 HydrophobicContact CD1-CB 4.25Å; I389-V518 HydrophobicContact CD1-CB 4.29Å; I389-V518 HydrophobicContact CD1-CG2 3.37Å; I389-V518 HydrophobicContact CG1-CG2 4.16Å
390R89.4Confident87.7Confident119 Ų11949.5 Ų49.545%0.44926%0.263SS..Hα-helixtrans-67.2-31177.6-73.7173.2-171.3-176.16.2112.6T386 T387 F388 G394 R395 L396T386-R390 VanDerWaalsContact O-CG 3.25Å; T386-R390 WeakPolarHBondContact O-CG 3.45Å; T386-R390 PolarHBondContact O-N 3.28Å; T387-R390 WeakPolarHBondContact O-CB 3.31Å; T387-R390 PolarHBondContact O-N 3.06Å; T387-R390 VanDerWaalsContact O-N 3.13Å; F388-R390 VanDerWaalsContact C-N 3.29Å; F388-R390 PolarHBondContact O-N 3.47Å; R390-G394 PolarHBondContact O-N 2.86Å; R390-R395 PolarHBondContact O-N 3.38Å; R390-L396 HydrophobicContact CB-CB 4.11Å; R390-L396 PolarHBondContact O-N 3.23Å
391M89.3Confident87Confident5 Ų549.8 Ų49.83%0.02528%0.277CS..Hα-helixtrans-68.7-47.5173.4-67170.462.100110.8M353 K355 I364 T387 F388 I389 A393 G394 L396 P398M353-M391 HydrophobicContact CB-CE 3.91Å; M353-M391 HydrophobicContact CG-CE 4.39Å; M353-M391 HydrophobicContact SD-CE 3.76Å; K355-M391 HydrophobicContact CB-CE 4.4Å; K355-M391 HydrophobicContact CB-SD 3.94Å; K355-M391 HydrophobicContact CG-SD 4.29Å; I364-M391 HydrophobicContact CD1-CE 3.68Å; I364-M391 HydrophobicContact CD1-SD 3.78Å; T387-M391 HydrophobicContact CG2-SD 4.38Å; T387-M391 WeakPolarHBondContact O-CG 3.19Å; T387-M391 PolarHBondContact O-N 3.5Å; F388-M391 WeakPolarHBondContact O-CB 3.42Å; F388-M391 PolarHBondContact O-N 3.18Å; F388-M391 VanDerWaalsContact O-N 3.07Å; I389-M391 VanDerWaalsContact C-N 3.28Å; I389-M391 PolarHBondContact O-N 3.01Å; M391-A393 PolarHBondContact O-N 2.84Å; M391-G394 PolarHBondContact O-N 3Å; M391-L396 WeakPolarHBondContact CA-O 3.28Å; M391-L396 HydrophobicContact CG-CB 4.11Å; M391-L396 HydrophobicContact CG-CD2 4.09Å; M391-L396 HydrophobicContact CG-CG 4.29Å; M391-P398 HydrophobicContact CE-CB 3.63Å; M391-P398 HydrophobicContact CE-CG 4.41Å
392L88Confident86.1Confident15 Ų1549.2 Ų49.28%0.07928%0.283CS..Hα-helixtrans-60.7-32.9173.3-67176.5000112.6M377 F388 I389 G394 V404 L484 F516M377-L392 HydrophobicContact CE-CD1 4.03Å; F388-L392 HydrophobicContact CD2-CD1 4.27Å; F388-L392 HydrophobicContact CD2-CG 4.05Å; F388-L392 HydrophobicContact CE1-CD1 4.29Å; F388-L392 HydrophobicContact CE2-CD1 3.9Å; F388-L392 HydrophobicContact CE2-CD2 3.87Å; F388-L392 HydrophobicContact CE2-CG 3.74Å; F388-L392 HydrophobicContact CZ-CD1 3.92Å; F388-L392 HydrophobicContact CZ-CD2 4.32Å; F388-L392 HydrophobicContact CZ-CG 4.25Å; F388-L392 PolarHBondContact O-N 2.91Å; I389-L392 PolarHBondContact O-N 2.99Å; L392-G394 PolarHBondContact O-N 3.17Å; L392-V404 HydrophobicContact CD2-CG1 3.87Å; L392-V404 HydrophobicContact CD2-CG2 4.28Å; L392-L484 HydrophobicContact CB-CD1 3.92Å; L392-L484 HydrophobicContact CB-CD2 4.24Å; L392-L484 HydrophobicContact CD1-CD2 4.27Å; L392-F516 HydrophobicContact CD1-CD1 3.98Å; L392-F516 HydrophobicContact CD1-CD2 4.22Å; L392-F516 HydrophobicContact CD1-CE1 3.84Å; L392-F516 HydrophobicContact CD1-CE2 4.12Å; L392-F516 HydrophobicContact CD1-CG 4.12Å; L392-F516 HydrophobicContact CD1-CZ 3.9Å
393A86.9Confident85.4Confident23 Ų2355.6 Ų55.619%0.1930%0.301CS..THydrogen-bonded Turntrans-75.4-2.5175.900000114.3I389 M391 R395 V409 L484I389-A393 VanDerWaalsContact O-CB 3.32Å; I389-A393 WeakPolarHBondContact O-CB 3.24Å; I389-A393 PolarHBondContact O-N 2.87Å; M391-A393 PolarHBondContact O-N 2.84Å; A393-R395 HydrophobicContact CB-CG 4.17Å; A393-R395 PolarHBondContact O-N 3.1Å; A393-V409 HydrophobicContact CB-CG1 4.46Å; A393-L484 HydrophobicContact CB-CD1 3.68Å
394G85.4Confident84.7Confident65 Ų6557.1 Ų57.167%0.6731%0.311SS*.THydrogen-bonded Turntrans67.113-174.300000114.5R390 M391 L392R390-G394 PolarHBondContact O-N 2.86Å; M391-G394 PolarHBondContact O-N 3Å; L392-G394 PolarHBondContact O-N 3.17Å
395R85.6Confident83.8Confident171 Ų17159 Ų5965%0.64532%0.321SS*.SBendtrans-86.8-17.8179.6-67.4-170.9179.3-174.73113.2R390 A393 Y411R390-R395 PolarHBondContact O-N 3.38Å; A393-R395 HydrophobicContact CB-CG 4.17Å; A393-R395 PolarHBondContact O-N 3.1Å; R395-Y411 VanDerWaalsContact CZ-CD1 3.5Å
396L85.8Confident82.9Confident48 Ų4866.7 Ų66.725%0.25136%0.361SS..SBendtrans-135.7128.6177.8-171.969.1000108.4K355 M357 T387 R390 M391K355-L396 HydrophobicContact CD-CD2 4.2Å; K355-L396 HydrophobicContact CD-CG 4.37Å; K355-L396 HydrophobicContact CG-CD2 4.25Å; M357-L396 HydrophobicContact SD-CD2 4.34Å; T387-L396 HydrophobicContact CG2-CD2 3.56Å; R390-L396 HydrophobicContact CB-CB 4.11Å; R390-L396 PolarHBondContact O-N 3.23Å; M391-L396 WeakPolarHBondContact CA-O 3.28Å; M391-L396 HydrophobicContact CG-CB 4.11Å; M391-L396 HydrophobicContact CG-CD2 4.09Å; M391-L396 HydrophobicContact CG-CG 4.29Å
397K86.4Confident82.5Confident163 Ų16367.2 Ų67.271%0.70936%0.363SS*.  trans-84.9140.9176.4-64.4-170.6176.5-166.60110.7K355K355-K397 VanDerWaalsContact CD-O 3.29Å; K355-K397 WeakPolarHBondContact CD-O 3.49Å; K355-K397 WeakPolarHBondContact CE-O 3.42Å; K355-K397 PolarHBondContact NZ-O 3.48Å
398P88.5Confident82.4Confident38 Ų3870.6 Ų70.625%0.24738%0.38CS..  trans-59.3154165.825-31.1000110.6M353 M391 E400M353-P398 HydrophobicContact CB-CB 4.16Å; M353-P398 HydrophobicContact CG-CB 4.16Å; M353-P398 HydrophobicContact CG-CG 4.4Å; M353-P398 HydrophobicContact SD-CB 4.33Å; M353-P398 HydrophobicContact SD-CG 4.25Å; M391-P398 HydrophobicContact CE-CB 3.63Å; M391-P398 HydrophobicContact CE-CG 4.41Å; P398-E400 WeakPolarHBondContact CB-O 3.42Å
399D88.1Confident82.3Confident85 Ų8572.7 Ų72.746%0.45539%0.393SS..SBendtrans-85.6-37.3171-60.2-41.9000110.5K354 K355 N356K354-D399 PolarHBondContact O-N 3.13Å; K355-D399 WeakPolarHBondContact CA-OD2 3.42Å; K355-D399 WeakPolarHBondContact CD-OD2 3.3Å; K355-D399 WeakPolarHBondContact CE-OD2 3.5Å; K355-D399 IonicContact NZ-OD1 3.32Å; K355-D399 PolarHBondContact NZ-OD1 3.25Å; K355-D399 IonicContact NZ-OD2 3.99Å; K355-D399 PolarHBondContact NZ-OD2 2.91Å; N356-D399 PolarHBondContact N-OD2 2.8Å
400E84.4Confident82.5Confident114 Ų11472.9 Ų72.953%0.53339%0.394SS..EExtended strand (participates in β ladder)trans-131147.1172-58177.6179.200109.5M353 K354 P398M353-E400 CarbonylContact C-O 3.52Å; M353-E400 VanDerWaalsContact CA-O 3.31Å; M353-E400 WeakPolarHBondContact CA-O 3.47Å; K354-E400 HydrophobicContact CB-CB 4.18Å; K354-E400 PolarHBondContact N-O 3.11Å; K354-E400 PolarHBondContact O-N 3.32Å; P398-E400 WeakPolarHBondContact CB-O 3.42Å
401G70.9Confident82.7Confident47 Ų4768.5 Ų68.549%0.48538%0.378SS..EExtended strand (participates in β ladder)trans111.2161.3-178.600000114H352H352-G401 WeakPolarHBondContact O-CA 3.24Å
402G68.1Low82.9Confident37 Ų3768.3 Ų68.338%0.38138%0.377SS..PPolyproline II helixtrans-74.3172.8-176.700000114.1P351P351-G402 WeakPolarHBondContact CG-O 3.44Å
403E66.9Low82.9Confident173 Ų17369.9 Ų69.981%0.80839%0.388SS*.PPolyproline II helixtrans-77.1138176.9-66.7-169.9155.500111.6
404V72Confident82.8Confident36 Ų3671.7 Ų71.722%0.21839%0.393CS..PPolyproline II helixtrans-65.9142.3170.7-175.30000108.4M353 L392 I406M353-V404 HydrophobicContact CE-CG2 4.16Å; M353-V404 HydrophobicContact SD-CG2 3.92Å; L392-V404 HydrophobicContact CD2-CG1 3.87Å; L392-V404 HydrophobicContact CD2-CG2 4.28Å; V404-I406 PolarHBondContact O-N 3.31Å
405P69.5Low82.5Confident45 Ų4577.4 Ų77.429%0.29240%0.399SS..PPolyproline II helixtrans-52.7139.9178.117.7-31.5000112.6Q349 L407Q349-P405 WeakPolarHBondContact O-CD 3.38Å; P405-L407 VanDerWaalsContact C-N 3.31Å; P405-L407 HydrophobicContact CB-CG 4.36Å; P405-L407 HydrophobicContact CG-CD1 4.28Å; P405-L407 PolarHBondContact O-N 3.4Å
406I72.3Confident82.3Confident172 Ų17271.7 Ų71.788%0.88238%0.381SS*.  trans-7287.1179.6-53.6172.2000108.6V404V404-I406 PolarHBondContact O-N 3.31Å
407L81.3Confident82Confident38 Ų3872.4 Ų72.420%0.19939%0.39CS..  trans-108.4151.5175.2-65.7172000109.9Y348 F369 P405 V409 D481 V482Y348-L407 HydrophobicContact CD1-CD1 4.07Å; Y348-L407 HydrophobicContact CD1-CD2 4.31Å; Y348-L407 HydrophobicContact CE1-CD1 4.24Å; Y348-L407 HydrophobicContact CE1-CD2 3.73Å; Y348-L407 HydrophobicContact CG-CD1 4.32Å; F369-L407 HydrophobicContact CE2-CD1 4.11Å; F369-L407 HydrophobicContact CZ-CD1 3.86Å; P405-L407 VanDerWaalsContact C-N 3.31Å; P405-L407 HydrophobicContact CB-CG 4.36Å; P405-L407 HydrophobicContact CG-CD1 4.28Å; P405-L407 PolarHBondContact O-N 3.4Å; L407-V409 PolarHBondContact O-N 3.16Å; L407-D481 HydrophobicContact CB-CB 4.43Å; L407-D481 HydrophobicContact CD2-CB 4.33Å; L407-V482 HydrophobicContact CB-CG2 4.23Å; L407-V482 HydrophobicContact CD1-CG2 3.6Å
408N88.2Confident81.7Confident88 Ų8867.2 Ų67.247%0.47137%0.373SS..  trans-76118.7172.2-173.911.6000108.9P479 A480 D481 V482N408-P479 PolarHBondContact ND2-O 3.39Å; N408-A480 CarbonylContact O-C 3.59Å; N408-A480 WeakPolarHBondContact O-CA 3.5Å; N408-A480 WeakPolarHBondContact O-CB 3.21Å; N408-D481 PolarHBondContact N-OD2 2.97Å; N408-D481 PolarHBondContact O-N 3.22Å; N408-V482 PolarHBondContact O-N 3.33Å
409V90.8Very high81.5Confident45 Ų4573.9 Ų73.927%0.27340%0.398SS..EExtended strand (participates in β ladder)trans-111.6129.3-172.1178.90000111.2A393 L407 V482 L484A393-V409 HydrophobicContact CB-CG1 4.46Å; L407-V409 PolarHBondContact O-N 3.16Å; V409-V482 WeakPolarHBondContact CA-O 3.24Å; V409-V482 HydrophobicContact CG2-CB 4.45Å; V409-L484 HydrophobicContact CG1-CB 4.49Å; V409-L484 HydrophobicContact CG1-CD1 3.41Å; V409-L484 VanDerWaalsContact CG1-CD1 3.41Å; V409-L484 HydrophobicContact CG1-CG 3.67Å
410S94.4Very high81.4Confident3 Ų372.1 Ų72.12%0.02139%0.387CS..EExtended strand (participates in β ladder)trans-102.8130.3164.7-1720000109.6C475 A480 V482 Y483 L484S410-C475 WeakPolarHBondContact CB-O 3.36Å; S410-C475 PolarHBondContact OG-O 3.46Å; S410-C475 PolarHBondContact OG-SG 2.89Å; S410-A480 VanDerWaalsContact N-CB 3.34Å; S410-V482 PolarHBondContact N-O 3.31Å; S410-Y483 WeakPolarHBondContact O-CA 3.36Å; S410-L484 PolarHBondContact O-N 3.41Å
411Y93.4Very high81.6Confident27 Ų2775.1 Ų75.111%0.10640%0.398CS..EExtended strand (participates in β ladder)trans-126.3124.8-174.2171.9-124.8000112.5I389 R395 P413 L484 D486I389-Y411 HydrophobicContact CG2-CD2 3.73Å; I389-Y411 HydrophobicContact CG2-CE2 3.32Å; R395-Y411 VanDerWaalsContact CZ-CD1 3.5Å; Y411-P413 HydrophobicContact CE1-CB 3.83Å; Y411-P413 WeakPolarHBondContact OH-CA 3.46Å; Y411-L484 CarbonylContact C-O 3.57Å; Y411-L484 WeakPolarHBondContact CA-O 3.36Å; Y411-L484 HydrophobicContact CD2-CB 3.83Å; Y411-L484 WeakPolarHBondContact CD2-O 3.21Å; Y411-D486 HydrophobicContact CE2-CB 4.3Å
412K94Very high82.6Confident2 Ų274.1 Ų74.11%0.00939%0.387CS..EExtended strand (participates in β ladder)trans-98.4115.8165.8-178.4-91.2176.9-156.10109.2Q468 M472 C475 L484 I485 D486 E487K412-Q468 VanDerWaalsContact CE-NE2 3.28Å; K412-M472 HydrophobicContact CD-SD 4.23Å; K412-M472 HydrophobicContact CG-SD 4.02Å; K412-C475 HydrophobicContact CB-CB 3.92Å; K412-L484 PolarHBondContact N-O 3.48Å; K412-I485 HydrophobicContact CB-CG2 4.32Å; K412-I485 HydrophobicContact CD-CG2 4.21Å; K412-D486 VanDerWaalsContact CD-O 3.31Å; K412-D486 WeakPolarHBondContact CD-O 3.14Å; K412-D486 PolarHBondContact NZ-O 2.92Å; K412-D486 PolarHBondContact O-N 3.18Å; K412-D486 VanDerWaalsContact O-N 3.1Å; K412-E487 PolarHBondContact NZ-O 3.45Å
413P88.5Confident83.7Confident47 Ų4773.9 Ų73.931%0.30538%0.38SS..  trans-76.8154177.331.3-34.6000113.1Y411Y411-P413 HydrophobicContact CE1-CB 3.83Å; Y411-P413 WeakPolarHBondContact OH-CA 3.46Å
414Q83.4Confident84.9Confident62 Ų6265.7 Ų65.729%0.2934%0.341SS..SBendtrans-56.4-57.8174.2-167.3-168.919.300111.7D486 E487Q414-D486 HydrophobicContact CB-CB 4.29Å; Q414-E487 HydrophobicContact CG-CB 4.25Å; Q414-E487 HydrophobicContact CG-CG 4.26Å; Q414-E487 VanDerWaalsContact CG-OE2 3.3Å; Q414-E487 WeakPolarHBondContact CG-OE2 3.46Å; Q414-E487 PolarHBondContact NE2-OE1 3.43Å; Q414-E487 PolarHBondContact NE2-OE2 3.19Å
415K80.6Confident85.8Confident184 Ų18469.4 Ų69.480%0.835%0.352SS*.SBendtrans-85.1117.3178.1-66.6-173.5-179.1-1770110.7
416I80.6Confident86.9Confident51 Ų5169.3 Ų69.326%0.26236%0.355SS..  trans-106.1127.5174.2-46.3167.3000109.1L467 Q468 A471I416-L467 HydrophobicContact CB-CD2 4.17Å; I416-L467 HydrophobicContact CB-CG 4.35Å; I416-L467 HydrophobicContact CG2-CD1 4.12Å; I416-L467 HydrophobicContact CG2-CD2 3.73Å; I416-L467 HydrophobicContact CG2-CG 3.65Å; I416-Q468 HydrophobicContact CD1-CB 4.39Å; I416-A471 HydrophobicContact CD1-CB 3.49Å; I416-A471 VanDerWaalsContact CD1-CB 3.49Å; I416-A471 HydrophobicContact CG1-CB 4.28Å; I416-A471 HydrophobicContact CG2-CB 4.36Å
417S79.2Confident87.9Confident64 Ų6462 Ų6245%0.44832%0.317SS..  trans-124.7133.9175.1600000109.2K419S417-K419 VanDerWaalsContact C-N 3.32Å; S417-K419 PolarHBondContact O-N 3.11Å; S417-K419 VanDerWaalsContact OG-CE 3.26Å; S417-K419 WeakPolarHBondContact OG-CE 3.2Å
418P80.7Confident88.4Confident54 Ų5460.2 Ų60.235%0.35131%0.308SS..  trans-75.683.5-179.531.7-34.5000110.7V459 L467P418-V459 HydrophobicContact CB-CG1 3.97Å; P418-V459 WeakPolarHBondContact CB-O 3.14Å; P418-L467 HydrophobicContact CB-CD1 4.36Å; P418-L467 HydrophobicContact CB-CD2 4.31Å; P418-L467 HydrophobicContact CG-CD2 4.42Å
419K84.4Confident88.5Confident177 Ų17760.5 Ų60.577%0.7731%0.306SS*.  trans-85.1-22.8179.1-66.9-178.1178.9-177.80113.2S417S417-K419 VanDerWaalsContact C-N 3.32Å; S417-K419 PolarHBondContact O-N 3.11Å; S417-K419 VanDerWaalsContact OG-CE 3.26Å; S417-K419 WeakPolarHBondContact OG-CE 3.2Å
420F86.6Confident88.5Confident49 Ų4963.6 Ų63.622%0.21532%0.318CS..  trans-74131.7-176-172.3-101.8000111.3A426 L427 E430 V459F420-A426 HydrophobicContact CE1-CB 4.15Å; F420-A426 HydrophobicContact CZ-CB 4.26Å; F420-L427 HydrophobicContact CB-CD1 4.2Å; F420-L427 HydrophobicContact CB-CD2 4.42Å; F420-L427 HydrophobicContact CD1-CB 3.81Å; F420-L427 HydrophobicContact CD1-CD1 4.22Å; F420-L427 HydrophobicContact CD1-CG 4.41Å; F420-L427 HydrophobicContact CD2-CD1 3.79Å; F420-L427 HydrophobicContact CE1-CB 3.78Å; F420-L427 HydrophobicContact CE2-CD1 4.19Å; F420-L427 HydrophobicContact CG-CB 4.28Å; F420-L427 HydrophobicContact CG-CD1 3.8Å; F420-L427 HydrophobicContact CG-CD2 4.49Å; F420-L427 HydrophobicContact CG-CG 4.41Å; F420-L427 HydrophobicContact CZ-CB 4.25Å; F420-E430 WeakPolarHBondContact CE2-OE2 3.49Å; F420-V459 HydrophobicContact CB-CG1 4.42Å; F420-V459 HydrophobicContact CD1-CG2 3.99Å
421K88.6Confident88.3Confident177 Ų17768.3 Ų68.377%0.7734%0.338SS*.  trans-98.4101.6175.5-67.4-177.6179.8-179.30108.8
422G90.6Very high88.2Confident26 Ų2667.3 Ų67.327%0.26833%0.334SS..SBendtrans149.6-175.5179.100000112.3D458 V459G422-D458 WeakPolarHBondContact O-CA 3.22Å; G422-V459 PolarHBondContact O-N 3.12Å
423S92.1Very high87.9Confident32 Ų3274.6 Ų74.622%0.22436%0.362CS..BIsolated β-bridgetrans-75.3157178.9650000112.4R425 A426 L427 Q457S423-R425 PolarHBondContact O-N 3.37Å; S423-A426 PolarHBondContact O-N 3.5Å; S423-A426 VanDerWaalsContact O-N 3.11Å; S423-A426 PolarHBondContact OG-N 3.42Å; S423-L427 PolarHBondContact O-N 3.01Å; S423-L427 VanDerWaalsContact O-N 3.1Å; S423-Q457 CarbonylContact C-O 3.58Å; S423-Q457 VanDerWaalsContact CA-O 3.26Å; S423-Q457 WeakPolarHBondContact CA-O 3.48Å
424V91Very high87.9Confident0 Ų078.8 Ų78.80%038%0.382CS..Hα-helixtrans-55.6-39.9172.1174.70000110.6A426 L427 L428 I451 Q457 V459 L462 V470V424-A426 VanDerWaalsContact C-N 3.34Å; V424-A426 PolarHBondContact O-N 2.82Å; V424-L427 WeakPolarHBondContact O-CB 3.4Å; V424-L427 PolarHBondContact O-N 3.29Å; V424-L428 HydrophobicContact CG1-CD1 3.8Å; V424-L428 HydrophobicContact CG1-CG 4.14Å; V424-L428 VanDerWaalsContact O-CG 3.29Å; V424-L428 WeakPolarHBondContact O-CG 3.34Å; V424-L428 PolarHBondContact O-N 2.96Å; V424-I451 HydrophobicContact CG1-CG2 4.31Å; V424-Q457 PolarHBondContact N-O 3.25Å; V424-V459 HydrophobicContact CG2-CG2 3.94Å; V424-L462 HydrophobicContact CG2-CD1 3.71Å; V424-L462 HydrophobicContact CG2-CD2 4.34Å; V424-L462 HydrophobicContact CG2-CG 4.42Å; V424-V470 HydrophobicContact CG1-CG1 4.21Å; V424-V470 HydrophobicContact CG1-CG2 3.93Å; V424-V470 HydrophobicContact CG2-CG2 4.26Å
425R92Very high88Confident115 Ų11576.8 Ų76.843%0.43438%0.376SS..Hα-helixtrans-54.5-48.2174.8-168.5-175.6-68.2-131.4-1.6112.2S423 L427 L428 H429 I455 D456S423-R425 PolarHBondContact O-N 3.37Å; R425-L427 VanDerWaalsContact C-N 3.35Å; R425-L428 PolarHBondContact O-N 3.33Å; R425-H429 WeakPolarHBondContact O-CB 3.39Å; R425-H429 PolarHBondContact O-N 2.72Å; R425-I455 HydrophobicContact CB-CG1 3.92Å; R425-I455 WeakPolarHBondContact CB-O 3.4Å; R425-I455 HydrophobicContact CG-CG1 4.32Å; R425-I455 PolarHBondContact N-O 3.03Å; R425-D456 IonicContact CZ-OD1 3.52Å; R425-D456 IonicContact NE-OD1 2.69Å; R425-D456 PolarHBondContact NE-OD1 3.44Å; R425-D456 IonicContact NH2-OD1 3.99Å; R425-D456 PolarHBondContact NH2-OD1 3.35Å; R425-D456 IonicContact NH2-OD2 3.52Å; R425-D456 PolarHBondContact NH2-OD2 3.06Å
426A92.3Very high88.1Confident43 Ų4370.7 Ų70.736%0.35535%0.348SS..Hα-helixtrans-63.8-42.6179.500000111.2F420 S423 V424 H429 E430F420-A426 HydrophobicContact CE1-CB 4.15Å; F420-A426 HydrophobicContact CZ-CB 4.26Å; S423-A426 PolarHBondContact O-N 3.5Å; S423-A426 VanDerWaalsContact O-N 3.11Å; S423-A426 PolarHBondContact OG-N 3.42Å; V424-A426 VanDerWaalsContact C-N 3.34Å; V424-A426 PolarHBondContact O-N 2.82Å; A426-H429 PolarHBondContact O-N 3.41Å; A426-E430 WeakPolarHBondContact O-CB 3.23Å; A426-E430 PolarHBondContact O-N 3.33Å
427L92.8Very high88.3Confident18 Ų1873 Ų739%0.09437%0.365CS..Hα-helixtrans-61.3-44.8176.9179.960.3000112.5F420 S423 V424 R425 E430 K431 V459 V470 L474F420-L427 HydrophobicContact CB-CD1 4.2Å; F420-L427 HydrophobicContact CB-CD2 4.42Å; F420-L427 HydrophobicContact CD1-CB 3.81Å; F420-L427 HydrophobicContact CD1-CD1 4.22Å; F420-L427 HydrophobicContact CD1-CG 4.41Å; F420-L427 HydrophobicContact CD2-CD1 3.79Å; F420-L427 HydrophobicContact CE1-CB 3.78Å; F420-L427 HydrophobicContact CE2-CD1 4.19Å; F420-L427 HydrophobicContact CG-CB 4.28Å; F420-L427 HydrophobicContact CG-CD1 3.8Å; F420-L427 HydrophobicContact CG-CD2 4.49Å; F420-L427 HydrophobicContact CG-CG 4.41Å; F420-L427 HydrophobicContact CZ-CB 4.25Å; S423-L427 PolarHBondContact O-N 3.01Å; S423-L427 VanDerWaalsContact O-N 3.1Å; V424-L427 WeakPolarHBondContact O-CB 3.4Å; V424-L427 PolarHBondContact O-N 3.29Å; R425-L427 VanDerWaalsContact C-N 3.35Å; L427-E430 PolarHBondContact O-N 2.8Å; L427-K431 HydrophobicContact CD1-CG 4.05Å; L427-K431 WeakPolarHBondContact O-CB 3.17Å; L427-K431 PolarHBondContact O-N 3.16Å; L427-V459 HydrophobicContact CB-CG2 4.4Å; L427-V459 HydrophobicContact CD2-CG1 4.44Å; L427-V459 HydrophobicContact CD2-CG2 3.88Å; L427-V470 HydrophobicContact CD2-CG1 4.27Å; L427-L474 HydrophobicContact CD2-CD1 3.7Å; L427-L474 HydrophobicContact CG-CD1 3.98Å; L427-L474 HydrophobicContact CG-CD2 4.33Å
428L91.5Very high88.9Confident0 Ų074 Ų740%036%0.362CS..Hα-helixtrans-66-42.9178.2-65.9168.8000111.3V424 R425 E430 K431 I432 Y436 M446 I451 I455 L474V424-L428 HydrophobicContact CG1-CD1 3.8Å; V424-L428 HydrophobicContact CG1-CG 4.14Å; V424-L428 VanDerWaalsContact O-CG 3.29Å; V424-L428 WeakPolarHBondContact O-CG 3.34Å; V424-L428 PolarHBondContact O-N 2.96Å; R425-L428 PolarHBondContact O-N 3.33Å; L428-E430 VanDerWaalsContact C-N 3.32Å; L428-E430 PolarHBondContact O-N 3.47Å; L428-K431 PolarHBondContact O-N 3.4Å; L428-I432 HydrophobicContact CB-CG1 4.26Å; L428-I432 HydrophobicContact CD2-CD1 3.7Å; L428-I432 HydrophobicContact CD2-CG1 4.11Å; L428-I432 CarbonylContact O-C 3.51Å; L428-I432 WeakPolarHBondContact O-CA 3.36Å; L428-I432 WeakPolarHBondContact O-CG1 3.5Å; L428-I432 PolarHBondContact O-N 3.1Å; L428-Y436 HydrophobicContact CB-CD2 4.26Å; L428-Y436 HydrophobicContact CD1-CD2 4.2Å; L428-Y436 HydrophobicContact CD1-CE2 4.31Å; L428-M446 HydrophobicContact CD1-CE 3.71Å; L428-I451 HydrophobicContact CD1-CG2 4.06Å; L428-I455 HydrophobicContact CD1-CD1 4.41Å; L428-I455 HydrophobicContact CD1-CG1 4.34Å; L428-L474 HydrophobicContact CD2-CD2 3.83Å; L428-L474 HydrophobicContact CD2-CG 4.2Å
429H91.1Very high89.3Confident94 Ų9475.9 Ų75.944%0.43537%0.374SS..Hα-helixtrans-66.4-33.8177.7-171.1-78.8000112.4R425 A426 R433R425-H429 WeakPolarHBondContact O-CB 3.39Å; R425-H429 PolarHBondContact O-N 2.72Å; A426-H429 PolarHBondContact O-N 3.41Å; H429-R433 PolarHBondContact CE1-NE 3.07Å; H429-R433 PolarHBondContact NE2-NE 2.87Å; H429-R433 WeakPolarHBondContact O-CB 3.37Å
430E91.3Very high89.5Confident111 Ų11173.8 Ų73.852%0.51937%0.367SS..Hα-helixtrans-71.3-42.3176.1-170.6-165.612800112.1F420 A426 L427 L428F420-E430 WeakPolarHBondContact CE2-OE2 3.49Å; A426-E430 WeakPolarHBondContact O-CB 3.23Å; A426-E430 PolarHBondContact O-N 3.33Å; L427-E430 PolarHBondContact O-N 2.8Å; L428-E430 VanDerWaalsContact C-N 3.32Å; L428-E430 PolarHBondContact O-N 3.47Å
431K90.6Very high89.7Confident101 Ų10171.9 Ų71.944%0.43936%0.359SS..Hα-helixtrans-94.8-32.1-170.8-64.7-51.9-171.5-151.50115L427 L428 L474L427-K431 HydrophobicContact CD1-CG 4.05Å; L427-K431 WeakPolarHBondContact O-CB 3.17Å; L427-K431 PolarHBondContact O-N 3.16Å; L428-K431 PolarHBondContact O-N 3.4Å; K431-L474 HydrophobicContact CB-CD2 3.8Å; K431-L474 HydrophobicContact CG-CD2 4.29Å
432I91.6Very high89.9Confident7 Ų765 Ų654%0.03633%0.332CS..  trans-14142.9-169.362.6161.5000112L428 D434 A435 Y436 F441 L474 G477 K478L428-I432 HydrophobicContact CB-CG1 4.26Å; L428-I432 HydrophobicContact CD2-CD1 3.7Å; L428-I432 HydrophobicContact CD2-CG1 4.11Å; L428-I432 CarbonylContact O-C 3.51Å; L428-I432 WeakPolarHBondContact O-CA 3.36Å; L428-I432 WeakPolarHBondContact O-CG1 3.5Å; L428-I432 PolarHBondContact O-N 3.1Å; I432-D434 VanDerWaalsContact C-N 3.26Å; I432-D434 PolarHBondContact O-N 3Å; I432-D434 VanDerWaalsContact O-N 3.16Å; I432-A435 HydrophobicContact CB-CB 4.33Å; I432-A435 PolarHBondContact O-N 2.95Å; I432-Y436 VanDerWaalsContact O-CB 3.24Å; I432-Y436 WeakPolarHBondContact O-CB 3.18Å; I432-Y436 PolarHBondContact O-N 3.12Å; I432-F441 HydrophobicContact CD1-CE1 4.06Å; I432-F441 HydrophobicContact CD1-CZ 4.34Å; I432-L474 HydrophobicContact CD1-CD2 4.47Å; I432-L474 HydrophobicContact CG1-CD2 4.28Å; I432-L474 HydrophobicContact CG2-CD2 4.45Å; I432-G477 WeakPolarHBondContact CG2-O 3.32Å; I432-K478 HydrophobicContact CG2-CG 3.91Å
433R87.5Confident89.8Confident154 Ų15467 Ų6758%0.58134%0.339SS*.Hα-helixtrans-48.3-45.6-174.9-167.7179-179.3-166.8-4.9113.6H429 T437H429-R433 PolarHBondContact CE1-NE 3.07Å; H429-R433 PolarHBondContact NE2-NE 2.87Å; H429-R433 WeakPolarHBondContact O-CB 3.37Å; R433-T437 PolarHBondContact O-OG1 3.12Å
434D87Confident89.6Confident136 Ų13666.2 Ų66.273%0.72733%0.332SS*.Hα-helixtrans-77.4-38.4-174.5-55.8-34.5000112.3I432 T437 H438I432-D434 VanDerWaalsContact C-N 3.26Å; I432-D434 PolarHBondContact O-N 3Å; I432-D434 VanDerWaalsContact O-N 3.16Å; D434-T437 PolarHBondContact O-OG1 3.24Å; D434-T437 VanDerWaalsContact O-OG1 3.11Å; D434-H438 PolarHBondContact O-N 3.37Å
435A86.3Confident89.7Confident20 Ų2066.2 Ų66.217%0.16533%0.332CS..Hα-helixtrans-72-36.8176.700000111.8I432 T437 H438 F441 G477I432-A435 HydrophobicContact CB-CB 4.33Å; I432-A435 PolarHBondContact O-N 2.95Å; A435-T437 PolarHBondContact O-N 3.13Å; A435-H438 WeakPolarHBondContact O-CB 3.18Å; A435-H438 PolarHBondContact O-N 2.87Å; A435-H438 VanDerWaalsContact O-N 3.1Å; A435-F441 HydrophobicContact CB-CD1 4.23Å; A435-F441 HydrophobicContact CB-CD2 4.35Å; A435-F441 HydrophobicContact CB-CE1 4.47Å; A435-F441 HydrophobicContact CB-CG 4.18Å; A435-F441 WeakPolarHBondContact O-CB 3.18Å; A435-F441 VanDerWaalsContact O-CD1 3.25Å; A435-F441 WeakPolarHBondContact O-CD1 3.38Å; A435-F441 WeakPolarHBondContact O-CG 3.41Å; A435-G477 VanDerWaalsContact CB-O 3.25Å; A435-G477 WeakPolarHBondContact CB-O 3.41Å
436Y82.4Confident89.6Confident55 Ų5561 Ų6122%0.21631%0.313CS..Hα-helixtrans-59.4-32.6179.9169.5-109.3000113.2L428 I432 V442 M446 I455L428-Y436 HydrophobicContact CB-CD2 4.26Å; L428-Y436 HydrophobicContact CD1-CD2 4.2Å; L428-Y436 HydrophobicContact CD1-CE2 4.31Å; I432-Y436 VanDerWaalsContact O-CB 3.24Å; I432-Y436 WeakPolarHBondContact O-CB 3.18Å; I432-Y436 PolarHBondContact O-N 3.12Å; Y436-V442 WeakPolarHBondContact O-CG2 3.39Å; Y436-M446 HydrophobicContact CD2-CE 3.97Å; Y436-M446 HydrophobicContact CE2-CE 4.05Å; Y436-I455 HydrophobicContact CE2-CD1 3.6Å; Y436-I455 WeakPolarHBondContact OH-CD1 3.42Å
437T85.6Confident89.5Confident100 Ų10064.3 Ų64.361%0.61332%0.319SS*.Hα-helixtrans-89-15178.554.20000113.2R433 D434 A435 P439R433-T437 PolarHBondContact O-OG1 3.12Å; D434-T437 PolarHBondContact O-OG1 3.24Å; D434-T437 VanDerWaalsContact O-OG1 3.11Å; A435-T437 PolarHBondContact O-N 3.13Å; T437-P439 WeakPolarHBondContact O-CD 3.44Å
438H90.9Very high89.4Confident86 Ų8665.7 Ų65.740%0.39833%0.329SS..  trans-72.8122.2-174.1-167.8-103.4000112.1D434 A435 Q440 F441 V442D434-H438 PolarHBondContact O-N 3.37Å; A435-H438 WeakPolarHBondContact O-CB 3.18Å; A435-H438 PolarHBondContact O-N 2.87Å; A435-H438 VanDerWaalsContact O-N 3.1Å; H438-Q440 VanDerWaalsContact C-N 3.3Å; H438-Q440 PolarHBondContact CE1-OE1 3.26Å; H438-Q440 PolarHBondContact ND1-N 2.95Å; H438-Q440 PolarHBondContact O-N 2.78Å; H438-F441 HydrophobicContact CB-CB 4.17Å; H438-F441 PolarHBondContact O-N 3.03Å; H438-F441 VanDerWaalsContact O-N 3.09Å; H438-V442 WeakPolarHBondContact O-CG2 3.29Å; H438-V442 PolarHBondContact O-N 3.25Å
439P90.3Very high89.3Confident92 Ų9265.9 Ų65.960%0.59733%0.33SS*.Hα-helixtrans-58.8-35-174.5-27.235000114.8T437 T443T437-P439 WeakPolarHBondContact O-CD 3.44Å; P439-T443 WeakPolarHBondContact O-CB 3.25Å; P439-T443 PolarHBondContact O-N 2.97Å; P439-T443 PolarHBondContact O-OG1 3.48Å
440Q88.3Confident89.1Confident133 Ų13366.9 Ų66.962%0.62134%0.335SS*.Hα-helixtrans-68.7-42.7177.6-60.4178.3-15.500110.8H438 V442 T443 D444H438-Q440 VanDerWaalsContact C-N 3.3Å; H438-Q440 PolarHBondContact CE1-OE1 3.26Å; H438-Q440 PolarHBondContact ND1-N 2.95Å; H438-Q440 PolarHBondContact O-N 2.78Å; Q440-V442 VanDerWaalsContact C-N 3.31Å; Q440-V442 PolarHBondContact O-N 3.48Å; Q440-T443 PolarHBondContact O-N 3.25Å; Q440-T443 VanDerWaalsContact O-N 3.14Å; Q440-D444 VanDerWaalsContact O-CB 3.31Å; Q440-D444 WeakPolarHBondContact O-CB 3.32Å; Q440-D444 PolarHBondContact O-N 2.77Å
441F91Very high89Confident10 Ų1061.6 Ų61.64%0.04431%0.31CS..Hα-helixtrans-65.1-38.7178.4-173.2-97.7000111.5I432 A435 H438 T443 V445 M446 A473 L476 G477 F507I432-F441 HydrophobicContact CD1-CE1 4.06Å; I432-F441 HydrophobicContact CD1-CZ 4.34Å; A435-F441 HydrophobicContact CB-CD1 4.23Å; A435-F441 HydrophobicContact CB-CD2 4.35Å; A435-F441 HydrophobicContact CB-CE1 4.47Å; A435-F441 HydrophobicContact CB-CG 4.18Å; A435-F441 WeakPolarHBondContact O-CB 3.18Å; A435-F441 VanDerWaalsContact O-CD1 3.25Å; A435-F441 WeakPolarHBondContact O-CD1 3.38Å; A435-F441 WeakPolarHBondContact O-CG 3.41Å; H438-F441 HydrophobicContact CB-CB 4.17Å; H438-F441 PolarHBondContact O-N 3.03Å; H438-F441 VanDerWaalsContact O-N 3.09Å; F441-T443 VanDerWaalsContact C-N 3.31Å; F441-T443 PolarHBondContact O-N 2.91Å; F441-V445 HydrophobicContact CD2-CB 4.23Å; F441-V445 HydrophobicContact CD2-CG2 3.84Å; F441-V445 HydrophobicContact CE1-CB 4.24Å; F441-V445 HydrophobicContact CE1-CG1 4.36Å; F441-V445 HydrophobicContact CE2-CB 3.91Å; F441-V445 HydrophobicContact CE2-CG1 4.16Å; F441-V445 HydrophobicContact CE2-CG2 3.61Å; F441-V445 HydrophobicContact CZ-CB 3.9Å; F441-V445 HydrophobicContact CZ-CG1 3.82Å; F441-V445 HydrophobicContact CZ-CG2 4.12Å; F441-V445 WeakPolarHBondContact O-CA 3.49Å; F441-V445 WeakPolarHBondContact O-CB 3.26Å; F441-V445 PolarHBondContact O-N 3.07Å; F441-M446 HydrophobicContact CD1-CG 3.93Å; F441-M446 HydrophobicContact CE1-CG 3.9Å; F441-M446 HydrophobicContact CE1-SD 3.94Å; F441-M446 PolarHBondContact O-N 3.14Å; F441-A473 WeakPolarHBondContact CZ-O 3.23Å; F441-L476 HydrophobicContact CE2-CB 4.08Å; F441-G477 VanDerWaalsContact CE2-CA 3.5Å; F441-G477 VanDerWaalsContact CZ-CA 3.48Å; F441-F507 HydrophobicContact CD2-CD2 4.41Å; F441-F507 AromaticContact CD2-CE2 3.9Å; F441-F507 HydrophobicContact CD2-CE2 3.9Å; F441-F507 HydrophobicContact CE2-CE2 4.09Å
442V91.2Very high88.8Confident33 Ų3362.2 Ų62.220%0.231%0.314CS..Iπ-helixtrans-61.5-42.3174.5174.40000111.2Y436 H438 Q440 M446 K447Y436-V442 WeakPolarHBondContact O-CG2 3.39Å; H438-V442 WeakPolarHBondContact O-CG2 3.29Å; H438-V442 PolarHBondContact O-N 3.25Å; Q440-V442 VanDerWaalsContact C-N 3.31Å; Q440-V442 PolarHBondContact O-N 3.48Å; V442-M446 HydrophobicContact CB-CB 4.49Å; V442-M446 HydrophobicContact CG1-CB 4.35Å; V442-M446 HydrophobicContact CG2-CG 4.42Å; V442-M446 PolarHBondContact O-N 2.87Å; V442-K447 HydrophobicContact CG1-CD 4.49Å; V442-K447 HydrophobicContact CG1-CG 4.25Å; V442-K447 WeakPolarHBondContact O-CB 3.49Å; V442-K447 PolarHBondContact O-N 3.34Å
443T90.2Very high88.3Confident67 Ų6764.7 Ų64.741%0.41133%0.333SS..Iπ-helixtrans-75.6-38.2-177.6-55.40000112.7P439 Q440 F441 P448P439-T443 WeakPolarHBondContact O-CB 3.25Å; P439-T443 PolarHBondContact O-N 2.97Å; P439-T443 PolarHBondContact O-OG1 3.48Å; Q440-T443 PolarHBondContact O-N 3.25Å; Q440-T443 VanDerWaalsContact O-N 3.14Å; F441-T443 VanDerWaalsContact C-N 3.31Å; F441-T443 PolarHBondContact O-N 2.91Å; T443-P448 VanDerWaalsContact O-CD 3.24Å; T443-P448 WeakPolarHBondContact O-CD 3.4Å; T443-P448 WeakPolarHBondContact O-CG 3.24Å
444D87.9Confident88.3Confident16 Ų1657.4 Ų57.49%0.08631%0.305CS..Iπ-helixtrans-87.2-30.9-174.6-68.1-16.8000112.7Q440 V503 R506 H510Q440-D444 VanDerWaalsContact O-CB 3.31Å; Q440-D444 WeakPolarHBondContact O-CB 3.32Å; Q440-D444 PolarHBondContact O-N 2.77Å; D444-V503 WeakPolarHBondContact O-CG1 3.47Å; D444-V503 WeakPolarHBondContact O-CG2 3.4Å; D444-R506 IonicContact OD1-CZ 3.53Å; D444-R506 IonicContact OD1-NE 2.75Å; D444-R506 PolarHBondContact OD1-NE 3.47Å; D444-R506 IonicContact OD1-NH1 3.06Å; D444-R506 PolarHBondContact OD1-NH1 3.29Å; D444-R506 IonicContact OD1-NH2 3.83Å; D444-R506 PolarHBondContact OD1-NH2 3.44Å; D444-H510 IonicContact OD2-CD2 2.74Å
445V91.8Very high88.3Confident0 Ų051.7 Ų51.70%027%0.274CS..Iπ-helixtrans-118.6-57.4-174.5-174.50000111.9F441 P448 M449 A473 L476 V503 F507F441-V445 HydrophobicContact CD2-CB 4.23Å; F441-V445 HydrophobicContact CD2-CG2 3.84Å; F441-V445 HydrophobicContact CE1-CB 4.24Å; F441-V445 HydrophobicContact CE1-CG1 4.36Å; F441-V445 HydrophobicContact CE2-CB 3.91Å; F441-V445 HydrophobicContact CE2-CG1 4.16Å; F441-V445 HydrophobicContact CE2-CG2 3.61Å; F441-V445 HydrophobicContact CZ-CB 3.9Å; F441-V445 HydrophobicContact CZ-CG1 3.82Å; F441-V445 HydrophobicContact CZ-CG2 4.12Å; F441-V445 WeakPolarHBondContact O-CA 3.49Å; F441-V445 WeakPolarHBondContact O-CB 3.26Å; F441-V445 PolarHBondContact O-N 3.07Å; V445-P448 WeakPolarHBondContact O-CD 3.48Å; V445-M449 HydrophobicContact CG1-CG 4.44Å; V445-M449 WeakPolarHBondContact O-CB 3.09Å; V445-M449 WeakPolarHBondContact O-CG 3.45Å; V445-M449 PolarHBondContact O-N 3.08Å; V445-A473 HydrophobicContact CG1-CB 4.13Å; V445-L476 HydrophobicContact CG1-CD1 4.15Å; V445-L476 HydrophobicContact CG2-CD1 4.16Å; V445-V503 HydrophobicContact CB-CG1 4.18Å; V445-V503 HydrophobicContact CG1-CG1 4.09Å; V445-V503 HydrophobicContact CG2-CG1 3.92Å; V445-F507 HydrophobicContact CG2-CD2 3.98Å; V445-F507 HydrophobicContact CG2-CG 4.45Å
446M91.2Very high88.2Confident5 Ų555.8 Ų55.83%0.02529%0.294CS..Iπ-helixtrans-67.7-44.8-167.8-61.9-71.3-72.600113.8L428 Y436 F441 V442 Q450 I451 A473L428-M446 HydrophobicContact CD1-CE 3.71Å; Y436-M446 HydrophobicContact CD2-CE 3.97Å; Y436-M446 HydrophobicContact CE2-CE 4.05Å; F441-M446 HydrophobicContact CD1-CG 3.93Å; F441-M446 HydrophobicContact CE1-CG 3.9Å; F441-M446 HydrophobicContact CE1-SD 3.94Å; F441-M446 PolarHBondContact O-N 3.14Å; V442-M446 HydrophobicContact CB-CB 4.49Å; V442-M446 HydrophobicContact CG1-CB 4.35Å; V442-M446 HydrophobicContact CG2-CG 4.42Å; V442-M446 PolarHBondContact O-N 2.87Å; M446-Q450 PolarHBondContact O-N 3.36Å; M446-I451 HydrophobicContact CE-CB 3.72Å; M446-I451 HydrophobicContact CE-CG1 4.33Å; M446-I451 HydrophobicContact CE-CG2 3.43Å; M446-I451 VanDerWaalsContact CE-CG2 3.43Å; M446-I451 PolarHBondContact O-N 3.22Å; M446-I451 HydrophobicContact SD-CB 4.12Å; M446-I451 HydrophobicContact SD-CG1 4.08Å; M446-I451 HydrophobicContact SD-CG2 4.18Å; M446-A473 HydrophobicContact SD-CB 4.19Å
447K89.6Confident88.4Confident112 Ų11255.7 Ų55.749%0.48730%0.295SS..THydrogen-bonded Turntrans-68-51.1179.1-77.5178.2-179.6176.10112V442 M449 Q450 E452V442-K447 HydrophobicContact CG1-CD 4.49Å; V442-K447 HydrophobicContact CG1-CG 4.25Å; V442-K447 WeakPolarHBondContact O-CB 3.49Å; V442-K447 PolarHBondContact O-N 3.34Å; K447-M449 VanDerWaalsContact C-N 3.29Å; K447-M449 PolarHBondContact O-N 3.44Å; K447-Q450 WeakPolarHBondContact O-CA 3.37Å; K447-Q450 PolarHBondContact O-N 2.98Å; K447-E452 WeakPolarHBondContact CG-OE1 3.39Å
448P89.2Confident88.4Confident47 Ų4754.8 Ų54.831%0.30529%0.286SS..THydrogen-bonded Turntrans-60.7-37.9177.1-26.537.2000112.8T443 V445 Q450 V499 V503T443-P448 VanDerWaalsContact O-CD 3.24Å; T443-P448 WeakPolarHBondContact O-CD 3.4Å; T443-P448 WeakPolarHBondContact O-CG 3.24Å; V445-P448 WeakPolarHBondContact O-CD 3.48Å; P448-Q450 PolarHBondContact O-N 2.95Å; P448-V499 HydrophobicContact CB-CG1 3.88Å; P448-V499 WeakPolarHBondContact O-CG1 3.39Å; P448-V503 HydrophobicContact CB-CG2 3.58Å; P448-V503 HydrophobicContact CG-CG2 4.19Å
449M89.7Confident88.3Confident4 Ų450.9 Ų50.92%0.0227%0.269CS..THydrogen-bonded Turntrans-77.54.3174.8-65.5-70.2-168.900113.4V445 K447 I451 R469 M472 C500 V503V445-M449 HydrophobicContact CG1-CG 4.44Å; V445-M449 WeakPolarHBondContact O-CB 3.09Å; V445-M449 WeakPolarHBondContact O-CG 3.45Å; V445-M449 PolarHBondContact O-N 3.08Å; K447-M449 VanDerWaalsContact C-N 3.29Å; K447-M449 PolarHBondContact O-N 3.44Å; M449-I451 HydrophobicContact CB-CD1 3.95Å; M449-I451 HydrophobicContact CB-CG1 3.82Å; M449-I451 PolarHBondContact O-N 3.21Å; M449-I451 VanDerWaalsContact O-N 3.09Å; M449-R469 HydrophobicContact CB-CB 4.43Å; M449-R469 WeakPolarHBondContact O-CD 3.28Å; M449-R469 PolarHBondContact O-NH1 3.43Å; M449-R469 HydrophobicContact SD-CB 4.41Å; M449-R469 HydrophobicContact SD-CG 4.05Å; M449-M472 HydrophobicContact CE-CB 4.08Å; M449-C500 HydrophobicContact CE-CB 3.87Å; M449-V503 HydrophobicContact CE-CB 3.92Å; M449-V503 HydrophobicContact CE-CG1 3.86Å; M449-V503 HydrophobicContact CE-CG2 4.19Å
450Q88.4Confident88.1Confident115 Ų11551.6 Ų51.654%0.53726%0.264SS..THydrogen-bonded Turntrans49.435.3179-55.8175.2-15.200114.2M446 K447 P448 E452 S453M446-Q450 PolarHBondContact O-N 3.36Å; K447-Q450 WeakPolarHBondContact O-CA 3.37Å; K447-Q450 PolarHBondContact O-N 2.98Å; P448-Q450 PolarHBondContact O-N 2.95Å; Q450-E452 VanDerWaalsContact C-N 3.25Å; Q450-E452 PolarHBondContact O-N 2.95Å; Q450-S453 PolarHBondContact O-N 3.44Å; Q450-S453 PolarHBondContact O-OG 2.74Å
451I89.1Confident87.9Confident0 Ų050.9 Ų50.90%027%0.265CS..G310 helixtrans-67.2-29-176.3-56.2-60.9000111.5V424 L428 M446 M449 S453 I454 I455 R469 V470 A473V424-I451 HydrophobicContact CG1-CG2 4.31Å; L428-I451 HydrophobicContact CD1-CG2 4.06Å; M446-I451 HydrophobicContact CE-CB 3.72Å; M446-I451 HydrophobicContact CE-CG1 4.33Å; M446-I451 HydrophobicContact CE-CG2 3.43Å; M446-I451 VanDerWaalsContact CE-CG2 3.43Å; M446-I451 PolarHBondContact O-N 3.22Å; M446-I451 HydrophobicContact SD-CB 4.12Å; M446-I451 HydrophobicContact SD-CG1 4.08Å; M446-I451 HydrophobicContact SD-CG2 4.18Å; M449-I451 HydrophobicContact CB-CD1 3.95Å; M449-I451 HydrophobicContact CB-CG1 3.82Å; M449-I451 PolarHBondContact O-N 3.21Å; M449-I451 VanDerWaalsContact O-N 3.09Å; I451-S453 PolarHBondContact O-N 2.97Å; I451-S453 VanDerWaalsContact O-N 3.12Å; I451-I454 HydrophobicContact CD1-CD1 4.12Å; I451-I454 HydrophobicContact CG2-CG1 4.42Å; I451-I454 CarbonylContact O-C 3.56Å; I451-I454 VanDerWaalsContact O-CG1 3.26Å; I451-I454 WeakPolarHBondContact O-CG1 3.28Å; I451-I454 PolarHBondContact O-N 3.25Å; I451-I455 PolarHBondContact O-N 3.36Å; I451-R469 HydrophobicContact CD1-CB 3.92Å; I451-V470 HydrophobicContact CD1-CG2 4.12Å; I451-A473 HydrophobicContact CD1-CB 4.49Å; I451-A473 HydrophobicContact CG1-CB 4.38Å
452E85Confident87.5Confident114 Ų11451.3 Ų51.353%0.53327%0.267SS..G310 helixtrans-54.5-33.1177.7-64.6179.5-178.100112.8K447 Q450 I454 I455K447-E452 WeakPolarHBondContact CG-OE1 3.39Å; Q450-E452 VanDerWaalsContact C-N 3.25Å; Q450-E452 PolarHBondContact O-N 2.95Å; E452-I454 VanDerWaalsContact C-N 3.31Å; E452-I454 PolarHBondContact O-N 2.93Å; E452-I455 WeakPolarHBondContact O-CG2 3.34Å
453S82Confident87.1Confident60 Ų6052.7 Ų52.742%0.4228%0.278SS..G310 helixtrans-73.9-20.4-179.169.10000114.5K15 Q450 I451 Q457K15-S453 PolarHBondContact NZ-O 2.84Å; Q450-S453 PolarHBondContact O-N 3.44Å; Q450-S453 PolarHBondContact O-OG 2.74Å; I451-S453 PolarHBondContact O-N 2.97Å; I451-S453 VanDerWaalsContact O-N 3.12Å; S453-Q457 PolarHBondContact O-NE2 2.75Å
454I87.1Confident86.7Confident1 Ų151.1 Ų51.11%0.00528%0.275CS..THydrogen-bonded Turntrans-118.3-2-175.561.3172.8000113.1I451 E452 D456 Q457 L462 E466 V470I451-I454 HydrophobicContact CD1-CD1 4.12Å; I451-I454 HydrophobicContact CG2-CG1 4.42Å; I451-I454 CarbonylContact O-C 3.56Å; I451-I454 VanDerWaalsContact O-CG1 3.26Å; I451-I454 WeakPolarHBondContact O-CG1 3.28Å; I451-I454 PolarHBondContact O-N 3.25Å; E452-I454 VanDerWaalsContact C-N 3.31Å; E452-I454 PolarHBondContact O-N 2.93Å; I454-D456 PolarHBondContact O-N 3.18Å; I454-Q457 WeakPolarHBondContact O-CB 3.34Å; I454-Q457 PolarHBondContact O-N 3.09Å; I454-L462 HydrophobicContact CB-CD2 4.12Å; I454-L462 HydrophobicContact CD1-CD2 4.48Å; I454-L462 HydrophobicContact CG2-CD2 4.45Å; I454-E466 HydrophobicContact CD1-CB 4.1Å; I454-E466 HydrophobicContact CD1-CG 4.33Å; I454-E466 HydrophobicContact CG2-CG 4Å; I454-E466 WeakPolarHBondContact CG2-OE1 3.35Å; I454-V470 HydrophobicContact CD1-CG2 3.57Å
455I87.3Confident86.7Confident15 Ų1550.8 Ų50.88%0.07728%0.276CS..THydrogen-bonded Turntrans-59.8-33.4-172-161.7167.1000113.3R425 L428 Y436 I451 E452R425-I455 HydrophobicContact CB-CG1 3.92Å; R425-I455 WeakPolarHBondContact CB-O 3.4Å; R425-I455 HydrophobicContact CG-CG1 4.32Å; R425-I455 PolarHBondContact N-O 3.03Å; L428-I455 HydrophobicContact CD1-CD1 4.41Å; L428-I455 HydrophobicContact CD1-CG1 4.34Å; Y436-I455 HydrophobicContact CE2-CD1 3.6Å; Y436-I455 WeakPolarHBondContact OH-CD1 3.42Å; I451-I455 PolarHBondContact O-N 3.36Å; E452-I455 WeakPolarHBondContact O-CG2 3.34Å
456D84.9Confident86.5Confident107 Ų10752.7 Ų52.757%0.57229%0.285SS*.THydrogen-bonded Turntrans-942.5-179.4-63-36.7000113.3R425 I454R425-D456 IonicContact CZ-OD1 3.52Å; R425-D456 IonicContact NE-OD1 2.69Å; R425-D456 PolarHBondContact NE-OD1 3.44Å; R425-D456 IonicContact NH2-OD1 3.99Å; R425-D456 PolarHBondContact NH2-OD1 3.35Å; R425-D456 IonicContact NH2-OD2 3.52Å; R425-D456 PolarHBondContact NH2-OD2 3.06Å; I454-D456 PolarHBondContact O-N 3.18Å
457Q84.8Confident86.5Confident53 Ų5353.3 Ų53.325%0.24829%0.288CS..SBendtrans-86153.2177.2-58.2-173.328.800111.1S423 V424 S453 I454 L462S423-Q457 CarbonylContact C-O 3.58Å; S423-Q457 VanDerWaalsContact CA-O 3.26Å; S423-Q457 WeakPolarHBondContact CA-O 3.48Å; V424-Q457 PolarHBondContact N-O 3.25Å; S453-Q457 PolarHBondContact O-NE2 2.75Å; I454-Q457 WeakPolarHBondContact O-CB 3.34Å; I454-Q457 PolarHBondContact O-N 3.09Å; Q457-L462 HydrophobicContact CB-CD2 4.1Å
458D87.1Confident86.6Confident80 Ų8048.1 Ų48.143%0.42827%0.265SS..BIsolated β-bridgetrans-73.6135.3174-66.5-41.6000110.7G422 Q460 N461G422-D458 WeakPolarHBondContact O-CA 3.22Å; D458-Q460 PolarHBondContact O-N 3.34Å; D458-Q460 VanDerWaalsContact O-N 3.12Å; D458-N461 PolarHBondContact O-N 3.35Å
459V87.9Confident86.8Confident4 Ų446.7 Ų46.72%0.02425%0.254CS..G310 helixtrans-59.2-30.1-176.7177.60000112.2P418 F420 G422 V424 L427 N461 L467P418-V459 HydrophobicContact CB-CG1 3.97Å; P418-V459 WeakPolarHBondContact CB-O 3.14Å; F420-V459 HydrophobicContact CB-CG1 4.42Å; F420-V459 HydrophobicContact CD1-CG2 3.99Å; G422-V459 PolarHBondContact O-N 3.12Å; V424-V459 HydrophobicContact CG2-CG2 3.94Å; L427-V459 HydrophobicContact CB-CG2 4.4Å; L427-V459 HydrophobicContact CD2-CG1 4.44Å; L427-V459 HydrophobicContact CD2-CG2 3.88Å; V459-N461 VanDerWaalsContact C-N 3.28Å; V459-N461 PolarHBondContact O-N 3Å; V459-L467 HydrophobicContact CG1-CD1 4.01Å
460Q86.1Confident86.9Confident107 Ų10746.6 Ų46.650%0.525%0.253SS..G310 helixtrans-70.9-21.2179-64.3-174-22.900114.1D458D458-Q460 PolarHBondContact O-N 3.34Å; D458-Q460 VanDerWaalsContact O-N 3.12Å
461N83.8Confident87.2Confident119 Ų11941.9 Ų41.964%0.63624%0.235SC*.G310 helixtrans-98.9-2.1-177-63.1-21000112.6D458 V459D458-N461 PolarHBondContact O-N 3.35Å; V459-N461 VanDerWaalsContact C-N 3.28Å; V459-N461 PolarHBondContact O-N 3Å
462L83.3Confident87.4Confident18 Ų1842 Ų429%0.09424%0.235CC..  trans-69.5143.7179.9-63.3-179.3000111.4V424 I454 Q457 E466 L467 V470V424-L462 HydrophobicContact CG2-CD1 3.71Å; V424-L462 HydrophobicContact CG2-CD2 4.34Å; V424-L462 HydrophobicContact CG2-CG 4.42Å; I454-L462 HydrophobicContact CB-CD2 4.12Å; I454-L462 HydrophobicContact CD1-CD2 4.48Å; I454-L462 HydrophobicContact CG2-CD2 4.45Å; Q457-L462 HydrophobicContact CB-CD2 4.1Å; L462-E466 HydrophobicContact CB-CB 4Å; L462-E466 HydrophobicContact CD2-CB 4.14Å; L462-E466 HydrophobicContact CG-CB 4.47Å; L462-L467 HydrophobicContact CB-CB 4.34Å; L462-L467 HydrophobicContact CD1-CD1 4.39Å; L462-V470 HydrophobicContact CD1-CG2 4Å
463S82.2Confident87.9Confident62 Ų6236.5 Ų36.543%0.43421%0.209SC..  trans-66.1162.3166.363.70000111.7G465 E466 L467S463-G465 VanDerWaalsContact C-N 3.32Å; S463-G465 PolarHBondContact O-N 2.8Å; S463-E466 WeakPolarHBondContact CB-OE2 3.38Å; S463-E466 PolarHBondContact N-OE2 3.44Å; S463-E466 PolarHBondContact O-N 3.4Å; S463-E466 WeakPolarHBondContact OG-CB 3.39Å; S463-E466 VanDerWaalsContact OG-CG 3.23Å; S463-E466 WeakPolarHBondContact OG-CG 3.39Å; S463-E466 PolarHBondContact OG-N 3.29Å; S463-E466 PolarHBondContact OG-OE2 3.2Å; S463-L467 WeakPolarHBondContact O-CB 3.4Å; S463-L467 PolarHBondContact O-N 2.87Å
464G83.3Confident88.4Confident34 Ų3434.9 Ų34.935%0.35120%0.196SC..Hα-helixtrans-55.1-43.9178.100000113.2L467 Q468G464-L467 PolarHBondContact O-N 2.88Å; G464-Q468 WeakPolarHBondContact O-CB 3.33Å; G464-Q468 PolarHBondContact O-N 3.14Å
465G86.2Confident88.8Confident9 Ų935 Ų359%0.09320%0.197CC..Hα-helixtrans-69.6-35.9177.300000113.8S463 R469S463-G465 VanDerWaalsContact C-N 3.32Å; S463-G465 PolarHBondContact O-N 2.8Å; G465-R469 WeakPolarHBondContact O-CG 3.43Å; G465-R469 PolarHBondContact O-N 3.38Å; G465-R469 VanDerWaalsContact O-N 3.09Å; G465-R469 PolarHBondContact O-NE 2.93Å
466E89.2Confident89.1Confident41 Ų4134.3 Ų34.319%0.19219%0.193CC..Hα-helixtrans-64.9-44.9171.8-76.5164.5151.800111.7I454 L462 S463 Q468 R469 V470I454-E466 HydrophobicContact CD1-CB 4.1Å; I454-E466 HydrophobicContact CD1-CG 4.33Å; I454-E466 HydrophobicContact CG2-CG 4Å; I454-E466 WeakPolarHBondContact CG2-OE1 3.35Å; L462-E466 HydrophobicContact CB-CB 4Å; L462-E466 HydrophobicContact CD2-CB 4.14Å; L462-E466 HydrophobicContact CG-CB 4.47Å; S463-E466 WeakPolarHBondContact CB-OE2 3.38Å; S463-E466 PolarHBondContact N-OE2 3.44Å; S463-E466 PolarHBondContact O-N 3.4Å; S463-E466 WeakPolarHBondContact OG-CB 3.39Å; S463-E466 VanDerWaalsContact OG-CG 3.23Å; S463-E466 WeakPolarHBondContact OG-CG 3.39Å; S463-E466 PolarHBondContact OG-N 3.29Å; S463-E466 PolarHBondContact OG-OE2 3.2Å; E466-Q468 VanDerWaalsContact C-N 3.31Å; E466-Q468 PolarHBondContact O-N 3.49Å; E466-R469 PolarHBondContact O-N 3.36Å; E466-V470 WeakPolarHBondContact O-CG2 3.2Å; E466-V470 PolarHBondContact O-N 3.03Å
467L90.4Very high89.5Confident18 Ų1829.5 Ų29.59%0.09417%0.169CC..Hα-helixtrans-63-39.6178.1-175.563.8000111.4I416 P418 V459 L462 S463 G464 V470 A471I416-L467 HydrophobicContact CB-CD2 4.17Å; I416-L467 HydrophobicContact CB-CG 4.35Å; I416-L467 HydrophobicContact CG2-CD1 4.12Å; I416-L467 HydrophobicContact CG2-CD2 3.73Å; I416-L467 HydrophobicContact CG2-CG 3.65Å; P418-L467 HydrophobicContact CB-CD1 4.36Å; P418-L467 HydrophobicContact CB-CD2 4.31Å; P418-L467 HydrophobicContact CG-CD2 4.42Å; V459-L467 HydrophobicContact CG1-CD1 4.01Å; L462-L467 HydrophobicContact CB-CB 4.34Å; L462-L467 HydrophobicContact CD1-CD1 4.39Å; S463-L467 WeakPolarHBondContact O-CB 3.4Å; S463-L467 PolarHBondContact O-N 2.87Å; G464-L467 PolarHBondContact O-N 2.88Å; L467-V470 PolarHBondContact O-N 3.09Å; L467-A471 WeakPolarHBondContact O-CB 3.44Å; L467-A471 PolarHBondContact O-N 3.48Å
468Q91.5Very high89.8Confident2 Ų231 Ų311%0.00917%0.174CC..Hα-helixtrans-60.1-47.7173.6-173.979.13.700111.3K412 I416 G464 E466 V470 A471 M472 E487 P488 A490 L492K412-Q468 VanDerWaalsContact CE-NE2 3.28Å; I416-Q468 HydrophobicContact CD1-CB 4.39Å; G464-Q468 WeakPolarHBondContact O-CB 3.33Å; G464-Q468 PolarHBondContact O-N 3.14Å; E466-Q468 VanDerWaalsContact C-N 3.31Å; E466-Q468 PolarHBondContact O-N 3.49Å; Q468-V470 VanDerWaalsContact C-N 3.34Å; Q468-V470 PolarHBondContact O-N 3.2Å; Q468-A471 PolarHBondContact O-N 3.37Å; Q468-M472 WeakPolarHBondContact O-CG 3.19Å; Q468-M472 PolarHBondContact O-N 2.95Å; Q468-E487 PolarHBondContact NE2-O 2.86Å; Q468-P488 PolarHBondContact NE2-O 2.99Å; Q468-A490 WeakPolarHBondContact CG-O 3.4Å; Q468-L492 HydrophobicContact CB-CD2 4.13Å; Q468-L492 HydrophobicContact CG-CD1 4.3Å; Q468-L492 HydrophobicContact CG-CD2 4.06Å; Q468-L492 HydrophobicContact CG-CG 4.06Å
469R92.9Very high90Very high17 Ų1732.1 Ų32.16%0.06419%0.186CC..Hα-helixtrans-60.2-41.7177-71.6-178.4-66.1139.8-16.8112.2M449 I451 G465 E466 M472 A473 L492M449-R469 HydrophobicContact CB-CB 4.43Å; M449-R469 WeakPolarHBondContact O-CD 3.28Å; M449-R469 PolarHBondContact O-NH1 3.43Å; M449-R469 HydrophobicContact SD-CB 4.41Å; M449-R469 HydrophobicContact SD-CG 4.05Å; I451-R469 HydrophobicContact CD1-CB 3.92Å; G465-R469 WeakPolarHBondContact O-CG 3.43Å; G465-R469 PolarHBondContact O-N 3.38Å; G465-R469 VanDerWaalsContact O-N 3.09Å; G465-R469 PolarHBondContact O-NE 2.93Å; E466-R469 PolarHBondContact O-N 3.36Å; R469-M472 PolarHBondContact O-N 3.31Å; R469-A473 PolarHBondContact O-N 2.94Å; R469-L492 HydrophobicContact CG-CD2 4.12Å
470V93.2Very high90.1Very high2 Ų232.1 Ų32.11%0.01219%0.187CC..Hα-helixtrans-64.3-43.5175174.20000111.2V424 L427 I451 I454 L462 E466 L467 Q468 M472 A473 L474V424-V470 HydrophobicContact CG1-CG1 4.21Å; V424-V470 HydrophobicContact CG1-CG2 3.93Å; V424-V470 HydrophobicContact CG2-CG2 4.26Å; L427-V470 HydrophobicContact CD2-CG1 4.27Å; I451-V470 HydrophobicContact CD1-CG2 4.12Å; I454-V470 HydrophobicContact CD1-CG2 3.57Å; L462-V470 HydrophobicContact CD1-CG2 4Å; E466-V470 WeakPolarHBondContact O-CG2 3.2Å; E466-V470 PolarHBondContact O-N 3.03Å; L467-V470 PolarHBondContact O-N 3.09Å; Q468-V470 VanDerWaalsContact C-N 3.34Å; Q468-V470 PolarHBondContact O-N 3.2Å; V470-M472 VanDerWaalsContact C-N 3.32Å; V470-M472 PolarHBondContact O-N 2.72Å; V470-A473 PolarHBondContact O-N 3.03Å; V470-L474 HydrophobicContact CG1-CD1 3.92Å; V470-L474 HydrophobicContact CG1-CG 4.37Å; V470-L474 WeakPolarHBondContact O-CB 3.38Å; V470-L474 VanDerWaalsContact O-CG 3.31Å; V470-L474 WeakPolarHBondContact O-CG 3.29Å; V470-L474 PolarHBondContact O-N 3.38Å
471A93.3Very high90.3Very high17 Ų1729.6 Ų29.614%0.1418%0.176CC..Hα-helixtrans-63.6-38.117800000112.5I416 L467 Q468 L474 C475I416-A471 HydrophobicContact CD1-CB 3.49Å; I416-A471 VanDerWaalsContact CD1-CB 3.49Å; I416-A471 HydrophobicContact CG1-CB 4.28Å; I416-A471 HydrophobicContact CG2-CB 4.36Å; L467-A471 WeakPolarHBondContact O-CB 3.44Å; L467-A471 PolarHBondContact O-N 3.48Å; Q468-A471 PolarHBondContact O-N 3.37Å; A471-L474 PolarHBondContact O-N 3.5Å; A471-C475 WeakPolarHBondContact O-CB 3.44Å; A471-C475 PolarHBondContact O-N 3.05Å
472M94.9Very high90.7Very high1 Ų124.2 Ų24.21%0.00515%0.148CC..Hα-helixtrans-63.4-47173.2-70.3-55.1-58.400111.6K412 M449 Q468 R469 V470 L474 C475 L476 I485 P488 I504K412-M472 HydrophobicContact CD-SD 4.23Å; K412-M472 HydrophobicContact CG-SD 4.02Å; M449-M472 HydrophobicContact CE-CB 4.08Å; Q468-M472 WeakPolarHBondContact O-CG 3.19Å; Q468-M472 PolarHBondContact O-N 2.95Å; R469-M472 PolarHBondContact O-N 3.31Å; V470-M472 VanDerWaalsContact C-N 3.32Å; V470-M472 PolarHBondContact O-N 2.72Å; M472-L474 VanDerWaalsContact C-N 3.31Å; M472-L474 PolarHBondContact O-N 3.25Å; M472-C475 PolarHBondContact O-N 3.43Å; M472-L476 WeakPolarHBondContact O-CG 3.37Å; M472-L476 PolarHBondContact O-N 2.89Å; M472-I485 HydrophobicContact CE-CD1 4.08Å; M472-I485 HydrophobicContact CE-CG2 3.76Å; M472-I485 HydrophobicContact SD-CG2 3.73Å; M472-P488 HydrophobicContact CE-CB 4.07Å; M472-P488 HydrophobicContact SD-CB 3.78Å; M472-I504 HydrophobicContact CE-CD1 3.55Å; M472-I504 HydrophobicContact CE-CG1 3.67Å
473A94Very high91.3Very high0 Ų023.8 Ų23.80%015%0.145CC..Hα-helixtrans-60.4-40.4175.700000112.2F441 V445 M446 I451 R469 V470 G477F441-A473 WeakPolarHBondContact CZ-O 3.23Å; V445-A473 HydrophobicContact CG1-CB 4.13Å; M446-A473 HydrophobicContact SD-CB 4.19Å; I451-A473 HydrophobicContact CD1-CB 4.49Å; I451-A473 HydrophobicContact CG1-CB 4.38Å; R469-A473 PolarHBondContact O-N 2.94Å; V470-A473 PolarHBondContact O-N 3.03Å; A473-G477 PolarHBondContact O-N 2.81Å
474L93.9Very high91.9Very high25 Ų2520.8 Ų20.813%0.13112%0.124CC..Hα-helixtrans-66.7-37175.7-73168.8000113L427 L428 K431 I432 V470 A471 M472 K478L427-L474 HydrophobicContact CD2-CD1 3.7Å; L427-L474 HydrophobicContact CG-CD1 3.98Å; L427-L474 HydrophobicContact CG-CD2 4.33Å; L428-L474 HydrophobicContact CD2-CD2 3.83Å; L428-L474 HydrophobicContact CD2-CG 4.2Å; K431-L474 HydrophobicContact CB-CD2 3.8Å; K431-L474 HydrophobicContact CG-CD2 4.29Å; I432-L474 HydrophobicContact CD1-CD2 4.47Å; I432-L474 HydrophobicContact CG1-CD2 4.28Å; I432-L474 HydrophobicContact CG2-CD2 4.45Å; V470-L474 HydrophobicContact CG1-CD1 3.92Å; V470-L474 HydrophobicContact CG1-CG 4.37Å; V470-L474 WeakPolarHBondContact O-CB 3.38Å; V470-L474 VanDerWaalsContact O-CG 3.31Å; V470-L474 WeakPolarHBondContact O-CG 3.29Å; V470-L474 PolarHBondContact O-N 3.38Å; A471-L474 PolarHBondContact O-N 3.5Å; M472-L474 VanDerWaalsContact C-N 3.31Å; M472-L474 PolarHBondContact O-N 3.25Å; L474-K478 WeakPolarHBondContact O-CG 3.48Å; L474-K478 PolarHBondContact O-N 3.06Å
475C94.3Very high92.5Very high4 Ų419.2 Ų19.23%0.02711%0.108CC..Hα-helixtrans-66.8-49.8177.9-1720000110.6S410 K412 A471 M472 G477 Y483S410-C475 WeakPolarHBondContact CB-O 3.36Å; S410-C475 PolarHBondContact OG-O 3.46Å; S410-C475 PolarHBondContact OG-SG 2.89Å; K412-C475 HydrophobicContact CB-CB 3.92Å; A471-C475 WeakPolarHBondContact O-CB 3.44Å; A471-C475 PolarHBondContact O-N 3.05Å; M472-C475 PolarHBondContact O-N 3.43Å; C475-G477 VanDerWaalsContact C-N 3.35Å; C475-Y483 VanDerWaalsContact O-CE1 3.24Å; C475-Y483 WeakPolarHBondContact O-CE1 3.49Å
476L94.2Very high92.9Very high1 Ų118.8 Ų18.81%0.00510%0.103CC..Hα-helixtrans-71.5-28.2-179-61.2176.8000112.8F441 V445 M472 K478 Y483 I485 V503 F507F441-L476 HydrophobicContact CE2-CB 4.08Å; V445-L476 HydrophobicContact CG1-CD1 4.15Å; V445-L476 HydrophobicContact CG2-CD1 4.16Å; M472-L476 WeakPolarHBondContact O-CG 3.37Å; M472-L476 PolarHBondContact O-N 2.89Å; L476-K478 VanDerWaalsContact C-N 3.34Å; L476-Y483 HydrophobicContact CD2-CD1 4.15Å; L476-Y483 HydrophobicContact CD2-CE1 4.48Å; L476-I485 HydrophobicContact CD2-CD1 4.43Å; L476-V503 HydrophobicContact CD1-CG1 3.92Å; L476-F507 HydrophobicContact CB-CD1 4.21Å; L476-F507 HydrophobicContact CB-CE1 4.1Å; L476-F507 HydrophobicContact CB-CZ 4.33Å; L476-F507 HydrophobicContact CD2-CD1 3.7Å; L476-F507 HydrophobicContact CD2-CE1 4.03Å; L476-F507 HydrophobicContact CD2-CG 4.43Å; L476-F507 HydrophobicContact CG-CD1 4.36Å; L476-F507 WeakPolarHBondContact O-CZ 3.48Å
477G92.8Very high92.9Very high5 Ų518.3 Ų18.35%0.05210%0.101CC..Hα-helixtrans-79.3-13.5-179.800000114.6I432 A435 F441 A473 C475I432-G477 WeakPolarHBondContact CG2-O 3.32Å; A435-G477 VanDerWaalsContact CB-O 3.25Å; A435-G477 WeakPolarHBondContact CB-O 3.41Å; F441-G477 VanDerWaalsContact CE2-CA 3.5Å; F441-G477 VanDerWaalsContact CZ-CA 3.48Å; A473-G477 PolarHBondContact O-N 2.81Å; C475-G477 VanDerWaalsContact C-N 3.35Å
478K92.3Very high92.9Very high84 Ų8417.4 Ų17.437%0.36510%0.097SC..SBendtrans-80.9129.1174.8-77.5176.2-178.6-177.20109.5I432 L474 L476 A480 Y483I432-K478 HydrophobicContact CG2-CG 3.91Å; L474-K478 WeakPolarHBondContact O-CG 3.48Å; L474-K478 PolarHBondContact O-N 3.06Å; L476-K478 VanDerWaalsContact C-N 3.34Å; K478-A480 PolarHBondContact O-N 3.34Å; K478-A480 VanDerWaalsContact O-N 3.16Å; K478-Y483 PolarHBondContact O-OH 3.07Å
479P89.8Confident92.8Very high104 Ų10417.6 Ų17.668%0.67510%0.098SC*.  trans-62.7121.3175.527.3-32.9000108.8N408N408-P479 PolarHBondContact ND2-O 3.39Å
480A91.6Very high92.4Very high5 Ų517.8 Ų17.84%0.04110%0.103CC..  trans-152.4154.8179.200000110.4N408 S410 K478 Y483 K513N408-A480 CarbonylContact O-C 3.59Å; N408-A480 WeakPolarHBondContact O-CA 3.5Å; N408-A480 WeakPolarHBondContact O-CB 3.21Å; S410-A480 VanDerWaalsContact N-CB 3.34Å; K478-A480 PolarHBondContact O-N 3.34Å; K478-A480 VanDerWaalsContact O-N 3.16Å; A480-Y483 HydrophobicContact CB-CE1 4.18Å; A480-Y483 HydrophobicContact CB-CE2 4.31Å; A480-K513 WeakPolarHBondContact O-CE 3.25Å
481D89.7Confident91.8Very high53 Ų5323.2 Ų23.228%0.28312%0.124SC..SBendtrans-86.6-37.3172.7-58.3-48.7000110.6L407 N408 K513 T514L407-D481 HydrophobicContact CB-CB 4.43Å; L407-D481 HydrophobicContact CD2-CB 4.33Å; N408-D481 PolarHBondContact N-OD2 2.97Å; N408-D481 PolarHBondContact O-N 3.22Å; D481-K513 IonicContact OD1-NZ 2.95Å; D481-K513 PolarHBondContact OD1-NZ 3.22Å; D481-T514 PolarHBondContact O-N 3.43Å
482V92.3Very high91.6Very high7 Ų722.6 Ų22.64%0.04212%0.118CC..EExtended strand (participates in β ladder)trans-122.7127178.3-176.10000110.6F369 L407 N408 V409 S410 L484 T514 F516F369-V482 HydrophobicContact CE2-CG2 4.22Å; L407-V482 HydrophobicContact CB-CG2 4.23Å; L407-V482 HydrophobicContact CD1-CG2 3.6Å; N408-V482 PolarHBondContact O-N 3.33Å; V409-V482 WeakPolarHBondContact CA-O 3.24Å; V409-V482 HydrophobicContact CG2-CB 4.45Å; S410-V482 PolarHBondContact N-O 3.31Å; V482-L484 HydrophobicContact CG1-CD2 3.78Å; V482-L484 HydrophobicContact CG1-CG 4.34Å; V482-T514 WeakPolarHBondContact CA-O 3.46Å; V482-F516 HydrophobicContact CG1-CD2 3.63Å; V482-F516 HydrophobicContact CG1-CE2 3.79Å
483Y95.5Very high91.1Very high8 Ų822.8 Ų22.83%0.03112%0.119CC..EExtended strand (participates in β ladder)trans-100.8122.3173.1-65.1-93.3000109.9S410 C475 L476 K478 A480 F507 I508 K513 T514 A515 F516S410-Y483 WeakPolarHBondContact O-CA 3.36Å; C475-Y483 VanDerWaalsContact O-CE1 3.24Å; C475-Y483 WeakPolarHBondContact O-CE1 3.49Å; L476-Y483 HydrophobicContact CD2-CD1 4.15Å; L476-Y483 HydrophobicContact CD2-CE1 4.48Å; K478-Y483 PolarHBondContact O-OH 3.07Å; A480-Y483 HydrophobicContact CB-CE1 4.18Å; A480-Y483 HydrophobicContact CB-CE2 4.31Å; Y483-F507 HydrophobicContact CE1-CE1 4.12Å; Y483-F507 HydrophobicContact CE2-CE1 4.05Å; Y483-F507 AromaticContact CZ-CE1 3.67Å; Y483-I508 HydrophobicContact CD2-CD1 3.53Å; Y483-I508 HydrophobicContact CE2-CD1 4.14Å; Y483-I508 HydrophobicContact CG-CD1 4.01Å; Y483-K513 HydrophobicContact CD2-CB 4.09Å; Y483-K513 HydrophobicContact CE2-CB 3.73Å; Y483-K513 HydrophobicContact CE2-CG 3.96Å; Y483-T514 PolarHBondContact N-O 3.49Å; Y483-A515 CarbonylContact O-C 3.56Å; Y483-A515 VanDerWaalsContact O-CA 3.23Å; Y483-A515 WeakPolarHBondContact O-CA 3.37Å; Y483-F516 PolarHBondContact O-N 3.43Å
484L95.4Very high90.6Very high0 Ų023.3 Ų23.30%012%0.123CC..EExtended strand (participates in β ladder)trans-107.4114.3176.6-57.4-179.7000108.7I389 L392 A393 V409 S410 Y411 K412 V482 F516I389-L484 HydrophobicContact CG2-CB 3.98Å; I389-L484 HydrophobicContact CG2-CD1 4.18Å; I389-L484 WeakPolarHBondContact O-CD1 3.32Å; L392-L484 HydrophobicContact CB-CD1 3.92Å; L392-L484 HydrophobicContact CB-CD2 4.24Å; L392-L484 HydrophobicContact CD1-CD2 4.27Å; A393-L484 HydrophobicContact CB-CD1 3.68Å; V409-L484 HydrophobicContact CG1-CB 4.49Å; V409-L484 HydrophobicContact CG1-CD1 3.41Å; V409-L484 VanDerWaalsContact CG1-CD1 3.41Å; V409-L484 HydrophobicContact CG1-CG 3.67Å; S410-L484 PolarHBondContact O-N 3.41Å; Y411-L484 CarbonylContact C-O 3.57Å; Y411-L484 WeakPolarHBondContact CA-O 3.36Å; Y411-L484 HydrophobicContact CD2-CB 3.83Å; Y411-L484 WeakPolarHBondContact CD2-O 3.21Å; K412-L484 PolarHBondContact N-O 3.48Å; V482-L484 HydrophobicContact CG1-CD2 3.78Å; V482-L484 HydrophobicContact CG1-CG 4.34Å; L484-F516 HydrophobicContact CD2-CB 3.66Å; L484-F516 HydrophobicContact CD2-CD2 3.55Å; L484-F516 HydrophobicContact CD2-CE2 4.45Å; L484-F516 HydrophobicContact CD2-CG 3.89Å
485I95.6Very high90.2Very high0 Ų024.8 Ų24.80%013%0.13CC..EExtended strand (participates in β ladder)trans-123.8104.8-170.8-50175.1000109K412 M472 L476 P488 I504 F516 V517 V518K412-I485 HydrophobicContact CB-CG2 4.32Å; K412-I485 HydrophobicContact CD-CG2 4.21Å; M472-I485 HydrophobicContact CE-CD1 4.08Å; M472-I485 HydrophobicContact CE-CG2 3.76Å; M472-I485 HydrophobicContact SD-CG2 3.73Å; L476-I485 HydrophobicContact CD2-CD1 4.43Å; I485-P488 HydrophobicContact CG2-CB 3.7Å; I485-P488 HydrophobicContact CG2-CG 3.6Å; I485-I504 HydrophobicContact CD1-CD1 4.28Å; I485-I504 HydrophobicContact CD1-CG1 4.29Å; I485-I504 HydrophobicContact CD1-CG2 4.09Å; I485-F516 PolarHBondContact N-O 3.04Å; I485-V517 HydrophobicContact CB-CG1 4.48Å; I485-V517 HydrophobicContact CB-CG2 4.34Å; I485-V517 HydrophobicContact CD1-CG2 4.35Å; I485-V517 CarbonylContact O-C 3.57Å; I485-V517 WeakPolarHBondContact O-CA 3.49Å; I485-V518 PolarHBondContact O-N 3.17Å
486D93.2Very high89.9Confident0 Ų026.6 Ų26.60%014%0.137CC..EExtended strand (participates in β ladder)trans-96.8112.5-178.2-162.5-8.2000110.9T386 I389 Y411 K412 Q414T386-D486 WeakPolarHBondContact CB-OD2 3.29Å; T386-D486 WeakPolarHBondContact CG2-OD2 3.41Å; T386-D486 PolarHBondContact OG1-OD2 3.37Å; I389-D486 HydrophobicContact CD1-CB 4.25Å; Y411-D486 HydrophobicContact CE2-CB 4.3Å; K412-D486 VanDerWaalsContact CD-O 3.31Å; K412-D486 WeakPolarHBondContact CD-O 3.14Å; K412-D486 PolarHBondContact NZ-O 2.92Å; K412-D486 PolarHBondContact O-N 3.18Å; K412-D486 VanDerWaalsContact O-N 3.1Å; Q414-D486 HydrophobicContact CB-CB 4.29Å
487E89.3Confident89.6Confident31 Ų3127.6 Ų27.615%0.14514%0.141CC..  trans49.269.6-177.6-66.5178.5-169.800114.3K412 Q414 Q468 S489 V518 H520K412-E487 PolarHBondContact NZ-O 3.45Å; Q414-E487 HydrophobicContact CG-CB 4.25Å; Q414-E487 HydrophobicContact CG-CG 4.26Å; Q414-E487 VanDerWaalsContact CG-OE2 3.3Å; Q414-E487 WeakPolarHBondContact CG-OE2 3.46Å; Q414-E487 PolarHBondContact NE2-OE1 3.43Å; Q414-E487 PolarHBondContact NE2-OE2 3.19Å; Q468-E487 PolarHBondContact NE2-O 2.86Å; E487-S489 VanDerWaalsContact C-N 3.27Å; E487-S489 PolarHBondContact O-N 2.83Å; E487-V518 VanDerWaalsContact CA-O 3.28Å; E487-V518 WeakPolarHBondContact CA-O 3.01Å; E487-V518 HydrophobicContact CG-CG1 4.3Å; E487-V518 PolarHBondContact N-O 3.17Å; E487-H520 IonicContact OE1-CD2 2.76Å; E487-H520 PolarHBondContact OE1-CD2 3.05Å; E487-H520 IonicContact OE1-NE2 3.8Å; E487-H520 PolarHBondContact OE1-NE2 3.3Å
488P91.7Very high89.3Confident0 Ų028.2 Ų28.20%014%0.143CC..THydrogen-bonded Turntrans-65.7-24.1173.120.2-24.8000114.1Q468 M472 I485 A490 L492 I504 V517 V518 E519 M524Q468-P488 PolarHBondContact NE2-O 2.99Å; M472-P488 HydrophobicContact CE-CB 4.07Å; M472-P488 HydrophobicContact SD-CB 3.78Å; I485-P488 HydrophobicContact CG2-CB 3.7Å; I485-P488 HydrophobicContact CG2-CG 3.6Å; P488-A490 VanDerWaalsContact C-N 3.34Å; P488-A490 PolarHBondContact O-N 2.93Å; P488-L492 VanDerWaalsContact O-CD1 3.27Å; P488-L492 WeakPolarHBondContact O-CD1 3.21Å; P488-I504 HydrophobicContact CB-CD1 4.12Å; P488-I504 HydrophobicContact CG-CD1 4.16Å; P488-V517 HydrophobicContact CG-CG1 3.72Å; P488-V518 WeakPolarHBondContact CD-O 3.4Å; P488-E519 WeakPolarHBondContact CD-OE1 3.46Å; P488-E519 HydrophobicContact CG-CG 4.24Å; P488-E519 WeakPolarHBondContact CG-OE1 3.3Å; P488-M524 HydrophobicContact CB-CE 3.81Å; P488-M524 HydrophobicContact CG-CE 3.63Å
489S88.2Confident89.1Confident6 Ų626.1 Ų26.14%0.04214%0.138CC..THydrogen-bonded Turntrans-74.2-13.918060.90000115.9E487 Y491 L492 R497 E519E487-S489 VanDerWaalsContact C-N 3.27Å; E487-S489 PolarHBondContact O-N 2.83Å; S489-Y491 PolarHBondContact O-N 3.48Å; S489-L492 PolarHBondContact O-N 2.99Å; S489-R497 PolarHBondContact O-NE 2.98Å; S489-E519 WeakPolarHBondContact CB-OE1 3.45Å; S489-E519 WeakPolarHBondContact CB-OE2 3.3Å; S489-E519 PolarHBondContact N-OE1 2.69Å; S489-E519 VanDerWaalsContact OG-CD 3.29Å; S489-E519 PolarHBondContact OG-OE1 3.23Å; S489-E519 VanDerWaalsContact OG-OE1 3.11Å; S489-E519 PolarHBondContact OG-OE2 3.29Å
490A84.4Confident89.2Confident20 Ų2021.2 Ų21.217%0.16511%0.105CC..THydrogen-bonded Turntrans-58.3135.4-176.200000112.6Q468 P488 L492Q468-A490 WeakPolarHBondContact CG-O 3.4Å; P488-A490 VanDerWaalsContact C-N 3.34Å; P488-A490 PolarHBondContact O-N 2.93Å; A490-L492 PolarHBondContact O-N 3.28Å
491Y82.4Confident89.2Confident117 Ų11721 Ų2146%0.45910%0.103SC..THydrogen-bonded Turntrans60.60.5-179.3-51.5-79.6000116.5Y246 S489Y246-Y491 HydrophobicContact CE1-CE1 4.42Å; Y246-Y491 WeakPolarHBondContact CE1-OH 3.31Å; Y246-Y491 WeakPolarHBondContact OH-CE1 3.42Å; Y246-Y491 PolarHBondContact OH-OH 2.81Å; S489-Y491 PolarHBondContact O-N 3.48Å
492L87.6Confident89.1Confident3 Ų323.7 Ų23.72%0.01611%0.113CC..  trans-87.4140.7175.7-60-175.4000110Q468 R469 P488 S489 A490 Q496 R497 C500Q468-L492 HydrophobicContact CB-CD2 4.13Å; Q468-L492 HydrophobicContact CG-CD1 4.3Å; Q468-L492 HydrophobicContact CG-CD2 4.06Å; Q468-L492 HydrophobicContact CG-CG 4.06Å; R469-L492 HydrophobicContact CG-CD2 4.12Å; P488-L492 VanDerWaalsContact O-CD1 3.27Å; P488-L492 WeakPolarHBondContact O-CD1 3.21Å; S489-L492 PolarHBondContact O-N 2.99Å; A490-L492 PolarHBondContact O-N 3.28Å; L492-Q496 HydrophobicContact CB-CB 3.9Å; L492-Q496 HydrophobicContact CD1-CB 4.49Å; L492-Q496 HydrophobicContact CD2-CB 4.11Å; L492-Q496 HydrophobicContact CG-CB 4.38Å; L492-R497 HydrophobicContact CB-CG 3.64Å; L492-R497 PolarHBondContact O-NE 3.45Å; L492-R497 PolarHBondContact O-NH2 3.47Å; L492-C500 HydrophobicContact CD1-CB 3.91Å
493D85.8Confident89.1Confident5 Ų523.6 Ų23.63%0.02711%0.112CC..  trans-72.9170.2168.363.637.6000111.8N112 H274 E495 Q496 R497N112-D493 PolarHBondContact N-OD2 2.89Å; H274-D493 WeakPolarHBondContact CE1-CB 3.34Å; H274-D493 WeakPolarHBondContact ND1-CB 3.46Å; D493-E495 PolarHBondContact O-N 3.22Å; D493-E495 VanDerWaalsContact O-N 3.15Å; D493-E495 PolarHBondContact OD1-N 2.77Å; D493-Q496 PolarHBondContact O-N 2.98Å; D493-Q496 WeakPolarHBondContact OD1-CB 3.47Å; D493-Q496 VanDerWaalsContact OD1-CG 3.26Å; D493-Q496 WeakPolarHBondContact OD1-CG 3.48Å; D493-Q496 PolarHBondContact OD1-N 3.46Å; D493-R497 VanDerWaalsContact O-CG 3.3Å; D493-R497 WeakPolarHBondContact O-CG 3.26Å; D493-R497 PolarHBondContact O-N 3.34Å
494S83Confident89Confident11 Ų1123.2 Ų23.28%0.07711%0.111CC..Hα-helixtrans-55.2-33.8-176.649.50000113.5H274 F312H274-S494 WeakPolarHBondContact O-CB 3.38Å; F312-S494 VanDerWaalsContact CE1-OG 3.24Å; F312-S494 WeakPolarHBondContact CE1-OG 3.07Å; F312-S494 VanDerWaalsContact CZ-OG 3.25Å; F312-S494 WeakPolarHBondContact CZ-OG 2.97Å
495E84.4Confident88.7Confident57 Ų5724 Ų2427%0.26611%0.114SC..Hα-helixtrans-77.3-47.9178.6-178170-177.700111T111 R325 D493 R497 L498 V499T111-E495 HydrophobicContact CG2-CB 4.27Å; T111-E495 WeakPolarHBondContact CG2-OE2 3.43Å; R325-E495 WeakPolarHBondContact CD-OE1 3.38Å; R325-E495 IonicContact NH1-OE2 2.87Å; D493-E495 PolarHBondContact O-N 3.22Å; D493-E495 VanDerWaalsContact O-N 3.15Å; D493-E495 PolarHBondContact OD1-N 2.77Å; E495-R497 VanDerWaalsContact C-N 3.29Å; E495-R497 PolarHBondContact O-N 3.11Å; E495-L498 PolarHBondContact O-N 2.65Å; E495-V499 WeakPolarHBondContact O-CG2 3.43Å; E495-V499 PolarHBondContact O-N 3.04Å
496Q88.4Confident88.4Confident41 Ų4129.1 Ų29.119%0.19213%0.134CC..Hα-helixtrans-61.2-36.6178.2-72.1174.6-7.300112.5L492 D493 V499 C500L492-Q496 HydrophobicContact CB-CB 3.9Å; L492-Q496 HydrophobicContact CD1-CB 4.49Å; L492-Q496 HydrophobicContact CD2-CB 4.11Å; L492-Q496 HydrophobicContact CG-CB 4.38Å; D493-Q496 PolarHBondContact O-N 2.98Å; D493-Q496 WeakPolarHBondContact OD1-CB 3.47Å; D493-Q496 VanDerWaalsContact OD1-CG 3.26Å; D493-Q496 WeakPolarHBondContact OD1-CG 3.48Å; D493-Q496 PolarHBondContact OD1-N 3.46Å; Q496-V499 PolarHBondContact O-N 3.1Å; Q496-C500 WeakPolarHBondContact O-CB 3.46Å; Q496-C500 PolarHBondContact O-N 2.94Å
497R89.3Confident88.3Confident22 Ų2230.4 Ų30.48%0.08314%0.139CC..Hα-helixtrans-59.3-47.2174.4-73.6-179.2-168.1-176.44.8111.6S489 L492 D493 E495 C500 A501 D521S489-R497 PolarHBondContact O-NE 2.98Å; L492-R497 HydrophobicContact CB-CG 3.64Å; L492-R497 PolarHBondContact O-NE 3.45Å; L492-R497 PolarHBondContact O-NH2 3.47Å; D493-R497 VanDerWaalsContact O-CG 3.3Å; D493-R497 WeakPolarHBondContact O-CG 3.26Å; D493-R497 PolarHBondContact O-N 3.34Å; E495-R497 VanDerWaalsContact C-N 3.29Å; E495-R497 PolarHBondContact O-N 3.11Å; R497-C500 WeakPolarHBondContact O-CB 3.24Å; R497-C500 PolarHBondContact O-N 3.49Å; R497-A501 WeakPolarHBondContact O-CB 3.26Å; R497-A501 PolarHBondContact O-N 2.77Å; R497-D521 VanDerWaalsContact CD-OD2 3.27Å; R497-D521 WeakPolarHBondContact CD-OD2 3.46Å; R497-D521 IonicContact CZ-OD2 3.06Å; R497-D521 IonicContact NE-OD2 3.31Å; R497-D521 IonicContact NH1-OD2 3.25Å; R497-D521 PolarHBondContact NH1-OD2 2.94Å
498L85.2Confident88.3Confident18 Ų1829 Ų299%0.09413%0.132CC..Hα-helixtrans-70.2-39.4-179.2-174.655.2000112.4L329 F331 E495 C500 A501 K502 Y527L329-L498 HydrophobicContact CB-CD2 3.46Å; L329-L498 VanDerWaalsContact CB-CD2 3.46Å; L329-L498 HydrophobicContact CD1-CD2 3.82Å; L329-L498 HydrophobicContact CD2-CD2 3.64Å; L329-L498 HydrophobicContact CD2-CG 4.32Å; L329-L498 HydrophobicContact CG-CD2 3.76Å; F331-L498 HydrophobicContact CD1-CD1 4.26Å; F331-L498 HydrophobicContact CE1-CD1 3.61Å; F331-L498 HydrophobicContact CE1-CD2 3.74Å; F331-L498 HydrophobicContact CE1-CG 4.33Å; F331-L498 HydrophobicContact CZ-CD1 4.45Å; F331-L498 HydrophobicContact CZ-CD2 3.78Å; E495-L498 PolarHBondContact O-N 2.65Å; L498-C500 VanDerWaalsContact C-N 3.29Å; L498-C500 PolarHBondContact O-N 2.83Å; L498-A501 PolarHBondContact O-N 2.71Å; L498-K502 WeakPolarHBondContact O-CB 3.44Å; L498-K502 PolarHBondContact O-N 3.3Å; L498-Y527 HydrophobicContact CD1-CD2 4.47Å; L498-Y527 HydrophobicContact CD1-CG 4.47Å
499V88.3Confident88Confident41 Ų4133 Ų3325%0.24815%0.153CC..Hα-helixtrans-59.5-44.5171.9174.50000110P448 E495 Q496 A501 K502 V503P448-V499 HydrophobicContact CB-CG1 3.88Å; P448-V499 WeakPolarHBondContact O-CG1 3.39Å; E495-V499 WeakPolarHBondContact O-CG2 3.43Å; E495-V499 PolarHBondContact O-N 3.04Å; Q496-V499 PolarHBondContact O-N 3.1Å; V499-A501 PolarHBondContact O-N 2.93Å; V499-K502 PolarHBondContact O-N 3.11Å; V499-V503 HydrophobicContact CG1-CG2 4.31Å; V499-V503 WeakPolarHBondContact O-CG2 3.31Å; V499-V503 PolarHBondContact O-N 2.76Å
500C92.2Very high87.9Confident0 Ų038.4 Ų38.40%018%0.178CC..Hα-helixtrans-60-45.1176.7-177.70000111.9M449 L492 Q496 R497 L498 K502 V503 I504 M524M449-C500 HydrophobicContact CE-CB 3.87Å; L492-C500 HydrophobicContact CD1-CB 3.91Å; Q496-C500 WeakPolarHBondContact O-CB 3.46Å; Q496-C500 PolarHBondContact O-N 2.94Å; R497-C500 WeakPolarHBondContact O-CB 3.24Å; R497-C500 PolarHBondContact O-N 3.49Å; L498-C500 VanDerWaalsContact C-N 3.29Å; L498-C500 PolarHBondContact O-N 2.83Å; C500-K502 PolarHBondContact O-N 2.99Å; C500-V503 PolarHBondContact O-N 2.75Å; C500-I504 VanDerWaalsContact O-CG1 3.3Å; C500-I504 WeakPolarHBondContact O-CG1 3.49Å; C500-I504 PolarHBondContact O-N 3.33Å; C500-M524 HydrophobicContact CB-CE 4.29Å
501A90.5Very high88Confident0 Ų039.4 Ų39.40%019%0.186CC..Hα-helixtrans-59.9-45.2176.700000111.8R497 L498 V499 V503 I504 K505 M524 Y527 L528R497-A501 WeakPolarHBondContact O-CB 3.26Å; R497-A501 PolarHBondContact O-N 2.77Å; L498-A501 PolarHBondContact O-N 2.71Å; V499-A501 PolarHBondContact O-N 2.93Å; A501-V503 PolarHBondContact O-N 2.91Å; A501-I504 PolarHBondContact O-N 2.97Å; A501-K505 WeakPolarHBondContact O-CB 3.33Å; A501-K505 PolarHBondContact O-N 3.06Å; A501-M524 HydrophobicContact CB-CE 4.06Å; A501-M524 HydrophobicContact CB-CG 3.88Å; A501-M524 HydrophobicContact CB-SD 4.38Å; A501-Y527 HydrophobicContact CB-CD1 3.67Å; A501-Y527 HydrophobicContact CB-CE1 4.2Å; A501-Y527 HydrophobicContact CB-CG 4.5Å; A501-L528 HydrophobicContact CB-CD2 4.18Å; A501-L528 HydrophobicContact CB-CG 4.16Å; A501-L528 WeakPolarHBondContact O-CD2 3.44Å
502K88.6Confident88.2Confident111 Ų11140.8 Ų40.848%0.48319%0.194SC..Hα-helixtrans-61.9-41.9176.3-172.3173.7-177.9176.30112.6L498 V499 C500 R506 Y527L498-K502 WeakPolarHBondContact O-CB 3.44Å; L498-K502 PolarHBondContact O-N 3.3Å; V499-K502 PolarHBondContact O-N 3.11Å; C500-K502 PolarHBondContact O-N 2.99Å; K502-R506 WeakPolarHBondContact O-CB 3.45Å; K502-R506 PolarHBondContact O-N 3.39Å; K502-Y527 HydrophobicContact CB-CE1 4.31Å
503V91.9Very high88.3Confident5 Ų543.4 Ų43.43%0.0321%0.206CC..Hα-helixtrans-63.4-48177.3169.80000110.9D444 V445 P448 M449 L476 V499 C500 A501 F507D444-V503 WeakPolarHBondContact O-CG1 3.47Å; D444-V503 WeakPolarHBondContact O-CG2 3.4Å; V445-V503 HydrophobicContact CB-CG1 4.18Å; V445-V503 HydrophobicContact CG1-CG1 4.09Å; V445-V503 HydrophobicContact CG2-CG1 3.92Å; P448-V503 HydrophobicContact CB-CG2 3.58Å; P448-V503 HydrophobicContact CG-CG2 4.19Å; M449-V503 HydrophobicContact CE-CB 3.92Å; M449-V503 HydrophobicContact CE-CG1 3.86Å; M449-V503 HydrophobicContact CE-CG2 4.19Å; L476-V503 HydrophobicContact CD1-CG1 3.92Å; V499-V503 HydrophobicContact CG1-CG2 4.31Å; V499-V503 WeakPolarHBondContact O-CG2 3.31Å; V499-V503 PolarHBondContact O-N 2.76Å; C500-V503 PolarHBondContact O-N 2.75Å; A501-V503 PolarHBondContact O-N 2.91Å; V503-F507 WeakPolarHBondContact O-CB 3.44Å; V503-F507 PolarHBondContact O-N 2.89Å
504I93.1Very high88.6Confident0 Ų043.2 Ų43.20%021%0.205CC..Hα-helixtrans-59.4-54.8178.1-65.1163.8000109.4M472 I485 P488 C500 A501 R506 F507 I508 M524 L528M472-I504 HydrophobicContact CE-CD1 3.55Å; M472-I504 HydrophobicContact CE-CG1 3.67Å; I485-I504 HydrophobicContact CD1-CD1 4.28Å; I485-I504 HydrophobicContact CD1-CG1 4.29Å; I485-I504 HydrophobicContact CD1-CG2 4.09Å; P488-I504 HydrophobicContact CB-CD1 4.12Å; P488-I504 HydrophobicContact CG-CD1 4.16Å; C500-I504 VanDerWaalsContact O-CG1 3.3Å; C500-I504 WeakPolarHBondContact O-CG1 3.49Å; C500-I504 PolarHBondContact O-N 3.33Å; A501-I504 PolarHBondContact O-N 2.97Å; I504-R506 PolarHBondContact O-N 3.36Å; I504-F507 PolarHBondContact O-N 2.88Å; I504-I508 HydrophobicContact CG2-CG1 4.16Å; I504-I508 WeakPolarHBondContact O-CB 3.26Å; I504-I508 WeakPolarHBondContact O-CG1 3.47Å; I504-I508 PolarHBondContact O-N 2.83Å; I504-M524 HydrophobicContact CD1-CE 3.87Å; I504-L528 HydrophobicContact CB-CD2 3.93Å; I504-L528 HydrophobicContact CD1-CD1 4.34Å; I504-L528 HydrophobicContact CG2-CD2 3.93Å
505K89.9Confident89.1Confident16 Ų1642.7 Ų42.77%0.0720%0.201CC..Hα-helixtrans-58.1-47.9-177.4-172.3154.2-176.7139.20112.1I374 A501 L509 Y527 L528 D530I374-K505 HydrophobicContact CD1-CB 4.21Å; I374-K505 HydrophobicContact CD1-CG 4.18Å; A501-K505 WeakPolarHBondContact O-CB 3.33Å; A501-K505 PolarHBondContact O-N 3.06Å; K505-L509 HydrophobicContact CG-CD1 3.86Å; K505-L509 WeakPolarHBondContact O-CB 3.21Å; K505-L509 WeakPolarHBondContact O-CD1 3.31Å; K505-L509 VanDerWaalsContact O-CG 3.22Å; K505-L509 WeakPolarHBondContact O-CG 3.46Å; K505-L509 PolarHBondContact O-N 3.18Å; K505-Y527 HydrophobicContact CB-CE1 4.27Å; K505-Y527 HydrophobicContact CD-CD1 4.38Å; K505-Y527 HydrophobicContact CD-CE1 4.12Å; K505-Y527 VanDerWaalsContact CD-O 3.24Å; K505-Y527 WeakPolarHBondContact CD-O 3.26Å; K505-Y527 PolarHBondContact NZ-O 3.49Å; K505-L528 HydrophobicContact CB-CD2 4.11Å; K505-D530 IonicContact NZ-OD1 2.89Å
506R88.4Confident89.7Confident108 Ų10840 Ų4041%0.40819%0.189SC..Hα-helixtrans-63.6-44.5179.6-178.6171.3-176.3-161.6-4.7112.5D444 K502 I504 H510D444-R506 IonicContact OD1-CZ 3.53Å; D444-R506 IonicContact OD1-NE 2.75Å; D444-R506 PolarHBondContact OD1-NE 3.47Å; D444-R506 IonicContact OD1-NH1 3.06Å; D444-R506 PolarHBondContact OD1-NH1 3.29Å; D444-R506 IonicContact OD1-NH2 3.83Å; D444-R506 PolarHBondContact OD1-NH2 3.44Å; K502-R506 WeakPolarHBondContact O-CB 3.45Å; K502-R506 PolarHBondContact O-N 3.39Å; I504-R506 PolarHBondContact O-N 3.36Å; R506-H510 VanDerWaalsContact CG-CD2 3.47Å; R506-H510 WeakPolarHBondContact CG-CD2 3.32Å; R506-H510 PolarHBondContact NE-NE2 3.46Å; R506-H510 WeakPolarHBondContact O-CB 3.44Å; R506-H510 PolarHBondContact O-CD2 3.18Å; R506-H510 VanDerWaalsContact O-CD2 3.23Å; R506-H510 PolarHBondContact O-N 3.02Å
507F91.1Very high90Very high27 Ų2738.1 Ų38.112%0.11818%0.179CC..Hα-helixtrans-64.7-46.4-179.8177.3-94000111.4F441 V445 L476 Y483 V503 I504 L509 H510 A511F441-F507 HydrophobicContact CD2-CD2 4.41Å; F441-F507 AromaticContact CD2-CE2 3.9Å; F441-F507 HydrophobicContact CD2-CE2 3.9Å; F441-F507 HydrophobicContact CE2-CE2 4.09Å; V445-F507 HydrophobicContact CG2-CD2 3.98Å; V445-F507 HydrophobicContact CG2-CG 4.45Å; L476-F507 HydrophobicContact CB-CD1 4.21Å; L476-F507 HydrophobicContact CB-CE1 4.1Å; L476-F507 HydrophobicContact CB-CZ 4.33Å; L476-F507 HydrophobicContact CD2-CD1 3.7Å; L476-F507 HydrophobicContact CD2-CE1 4.03Å; L476-F507 HydrophobicContact CD2-CG 4.43Å; L476-F507 HydrophobicContact CG-CD1 4.36Å; L476-F507 WeakPolarHBondContact O-CZ 3.48Å; Y483-F507 HydrophobicContact CE1-CE1 4.12Å; Y483-F507 HydrophobicContact CE2-CE1 4.05Å; Y483-F507 AromaticContact CZ-CE1 3.67Å; V503-F507 WeakPolarHBondContact O-CB 3.44Å; V503-F507 PolarHBondContact O-N 2.89Å; I504-F507 PolarHBondContact O-N 2.88Å; F507-L509 PolarHBondContact O-N 2.98Å; F507-H510 PolarHBondContact O-N 3.19Å; F507-A511 HydrophobicContact CE1-CB 4.34Å; F507-A511 HydrophobicContact CZ-CB 4.36Å; F507-A511 WeakPolarHBondContact O-CB 3.22Å; F507-A511 PolarHBondContact O-N 3.37Å
508I90.4Very high90.2Very high0 Ų037 Ų370%018%0.175CC..Hα-helixtrans-63.2-43.5-179-66.4-61.5000111.3I374 Y483 I504 K512 K513 A515I374-I508 HydrophobicContact CD1-CB 4.26Å; I374-I508 HydrophobicContact CD1-CG2 4.22Å; I374-I508 HydrophobicContact CG1-CB 4.38Å; I374-I508 HydrophobicContact CG1-CG2 3.82Å; Y483-I508 HydrophobicContact CD2-CD1 3.53Å; Y483-I508 HydrophobicContact CE2-CD1 4.14Å; Y483-I508 HydrophobicContact CG-CD1 4.01Å; I504-I508 HydrophobicContact CG2-CG1 4.16Å; I504-I508 WeakPolarHBondContact O-CB 3.26Å; I504-I508 WeakPolarHBondContact O-CG1 3.47Å; I504-I508 PolarHBondContact O-N 2.83Å; I508-K512 PolarHBondContact O-N 3.14Å; I508-K513 WeakPolarHBondContact CG2-O 3.14Å; I508-K513 PolarHBondContact O-N 3.05Å; I508-A515 HydrophobicContact CD1-CB 3.81Å; I508-A515 HydrophobicContact CG1-CB 3.92Å; I508-A515 HydrophobicContact CG2-CB 4.47Å
509L85.6Confident90.5Very high85 Ų8536.2 Ų36.245%0.44517%0.171SC..Hα-helixtrans-64.3-45.5175.8-70.8170.6000112.6K505 F507 K512K505-L509 HydrophobicContact CG-CD1 3.86Å; K505-L509 WeakPolarHBondContact O-CB 3.21Å; K505-L509 WeakPolarHBondContact O-CD1 3.31Å; K505-L509 VanDerWaalsContact O-CG 3.22Å; K505-L509 WeakPolarHBondContact O-CG 3.46Å; K505-L509 PolarHBondContact O-N 3.18Å; F507-L509 PolarHBondContact O-N 2.98Å; L509-K512 PolarHBondContact O-N 3.15Å
510H85.6Confident90.4Very high120 Ų12034.5 Ų34.556%0.55616%0.16SC*.Hα-helixtrans-69-39179-80.7-55.3000113D444 R506 F507 K512D444-H510 IonicContact OD2-CD2 2.74Å; R506-H510 VanDerWaalsContact CG-CD2 3.47Å; R506-H510 WeakPolarHBondContact CG-CD2 3.32Å; R506-H510 PolarHBondContact NE-NE2 3.46Å; R506-H510 WeakPolarHBondContact O-CB 3.44Å; R506-H510 PolarHBondContact O-CD2 3.18Å; R506-H510 VanDerWaalsContact O-CD2 3.23Å; R506-H510 PolarHBondContact O-N 3.02Å; F507-H510 PolarHBondContact O-N 3.19Å; H510-K512 PolarHBondContact O-N 2.64Å
511A85.8Confident90.2Very high40 Ų4034.9 Ų34.933%0.33116%0.162SC..Hα-helixtrans-77.8-10.5179.600000112.9F507 K513F507-A511 HydrophobicContact CE1-CB 4.34Å; F507-A511 HydrophobicContact CZ-CB 4.36Å; F507-A511 WeakPolarHBondContact O-CB 3.22Å; F507-A511 PolarHBondContact O-N 3.37Å; A511-K513 VanDerWaalsContact C-N 3.28Å; A511-K513 HydrophobicContact CB-CB 4.47Å; A511-K513 HydrophobicContact CB-CG 3.84Å; A511-K513 WeakPolarHBondContact O-CG 3.38Å; A511-K513 PolarHBondContact O-N 2.98Å
512K87.1Confident89.9Confident147 Ų14735.3 Ų35.364%0.63916%0.164SC*.THydrogen-bonded Turntrans52.944-174.1-61-172.6176.6-169.70112.7S372 I508 L509 H510S372-K512 WeakPolarHBondContact OG-CA 3.3Å; S372-K512 WeakPolarHBondContact OG-CB 3.38Å; I508-K512 PolarHBondContact O-N 3.14Å; L509-K512 PolarHBondContact O-N 3.15Å; H510-K512 PolarHBondContact O-N 2.64Å
513K90.1Very high89.7Confident58 Ų5830.5 Ų30.525%0.25214%0.144SC..  trans-110.8172.9-178.2-62.3-51.9-165.4172.60110.7S372 A480 D481 Y483 I508 A511S372-K513 WeakPolarHBondContact CA-O 3.47Å; S372-K513 PolarHBondContact N-O 3.32Å; S372-K513 VanDerWaalsContact N-O 3.13Å; A480-K513 WeakPolarHBondContact O-CE 3.25Å; D481-K513 IonicContact OD1-NZ 2.95Å; D481-K513 PolarHBondContact OD1-NZ 3.22Å; Y483-K513 HydrophobicContact CD2-CB 4.09Å; Y483-K513 HydrophobicContact CE2-CB 3.73Å; Y483-K513 HydrophobicContact CE2-CG 3.96Å; I508-K513 WeakPolarHBondContact CG2-O 3.14Å; I508-K513 PolarHBondContact O-N 3.05Å; A511-K513 VanDerWaalsContact C-N 3.28Å; A511-K513 HydrophobicContact CB-CB 4.47Å; A511-K513 HydrophobicContact CB-CG 3.84Å; A511-K513 WeakPolarHBondContact O-CG 3.38Å; A511-K513 PolarHBondContact O-N 2.98Å
514T91.6Very high89.5Confident1 Ų130.5 Ų30.51%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-109.5144.5179-52.70000109.9F369 T370 D371 E373 M375 D481 V482 Y483F369-T514 HydrophobicContact CD2-CG2 3.86Å; F369-T514 HydrophobicContact CE2-CG2 4.49Å; T370-T514 PolarHBondContact O-OG1 2.84Å; D371-T514 WeakPolarHBondContact CA-OG1 3.36Å; E373-T514 WeakPolarHBondContact O-CA 3.27Å; E373-T514 VanDerWaalsContact O-CG2 3.29Å; E373-T514 WeakPolarHBondContact O-CG2 3.41Å; M375-T514 HydrophobicContact CE-CG2 3.64Å; D481-T514 PolarHBondContact O-N 3.43Å; V482-T514 WeakPolarHBondContact CA-O 3.46Å; Y483-T514 PolarHBondContact N-O 3.49Å
515A94.7Very high89.3Confident0 Ų030.5 Ų30.50%014%0.144CC..EExtended strand (participates in β ladder)trans-128134.8173.700000112.4E373 I374 M375 Y483 I508 V517E373-A515 PolarHBondContact O-N 2.76Å; I374-A515 WeakPolarHBondContact CA-O 3.46Å; I374-A515 HydrophobicContact CG1-CB 4.42Å; M375-A515 PolarHBondContact N-O 2.88Å; Y483-A515 CarbonylContact O-C 3.56Å; Y483-A515 VanDerWaalsContact O-CA 3.23Å; Y483-A515 WeakPolarHBondContact O-CA 3.37Å; I508-A515 HydrophobicContact CD1-CB 3.81Å; I508-A515 HydrophobicContact CG1-CB 3.92Å; I508-A515 HydrophobicContact CG2-CB 4.47Å; A515-V517 HydrophobicContact CB-CG2 4.23Å
516F95.3Very high89.1Confident1 Ų130.5 Ų30.50%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-102.9122.3162.4-66.9-99.2000108.8F369 M375 M377 L392 V482 Y483 L484 I485 I533F369-F516 HydrophobicContact CD1-CZ 4.09Å; F369-F516 HydrophobicContact CE1-CZ 4.36Å; F369-F516 HydrophobicContact CG-CZ 4.29Å; M375-F516 HydrophobicContact CB-CD1 3.9Å; M375-F516 HydrophobicContact CB-CE1 4.25Å; M375-F516 HydrophobicContact CE-CD1 3.75Å; M375-F516 HydrophobicContact CE-CD2 3.91Å; M375-F516 HydrophobicContact CE-CE1 3.24Å; M375-F516 HydrophobicContact CE-CE2 3.4Å; M375-F516 HydrophobicContact CE-CG 4.1Å; M375-F516 HydrophobicContact CE-CZ 3.06Å; M375-F516 CarbonylContact O-C 3.46Å; M375-F516 WeakPolarHBondContact O-CA 3.31Å; M375-F516 HydrophobicContact SD-CD1 4.02Å; M375-F516 HydrophobicContact SD-CE1 3.4Å; M375-F516 WeakPolarHBondContact SD-CE1 3.25Å; M375-F516 HydrophobicContact SD-CZ 3.76Å; M377-F516 HydrophobicContact CE-CB 4.04Å; M377-F516 HydrophobicContact CE-CD1 3.43Å; M377-F516 VanDerWaalsContact CE-CD1 3.43Å; M377-F516 HydrophobicContact CE-CE1 4.18Å; M377-F516 HydrophobicContact CE-CG 4.08Å; L392-F516 HydrophobicContact CD1-CD1 3.98Å; L392-F516 HydrophobicContact CD1-CD2 4.22Å; L392-F516 HydrophobicContact CD1-CE1 3.84Å; L392-F516 HydrophobicContact CD1-CE2 4.12Å; L392-F516 HydrophobicContact CD1-CG 4.12Å; L392-F516 HydrophobicContact CD1-CZ 3.9Å; V482-F516 HydrophobicContact CG1-CD2 3.63Å; V482-F516 HydrophobicContact CG1-CE2 3.79Å; Y483-F516 PolarHBondContact O-N 3.43Å; L484-F516 HydrophobicContact CD2-CB 3.66Å; L484-F516 HydrophobicContact CD2-CD2 3.55Å; L484-F516 HydrophobicContact CD2-CE2 4.45Å; L484-F516 HydrophobicContact CD2-CG 3.89Å; I485-F516 PolarHBondContact N-O 3.04Å; F516-I533 HydrophobicContact CD1-CD1 4.31Å; F516-I533 HydrophobicContact CE1-CD1 4.09Å
517V95.7Very high89Confident0 Ų027.4 Ų27.40%013%0.134CC..EExtended strand (participates in β ladder)trans-121.4123.3-176.3-172.90000109.7I374 M375 V376 M377 I485 P488 A515 E519 L528I374-V517 HydrophobicContact CG2-CG2 4.05Å; M375-V517 PolarHBondContact O-N 3.27Å; V376-V517 CarbonylContact C-O 3.56Å; V376-V517 VanDerWaalsContact CA-O 3.28Å; V376-V517 WeakPolarHBondContact CA-O 3.43Å; V376-V517 HydrophobicContact CG2-CB 4.36Å; M377-V517 PolarHBondContact N-O 2.96Å; I485-V517 HydrophobicContact CB-CG1 4.48Å; I485-V517 HydrophobicContact CB-CG2 4.34Å; I485-V517 HydrophobicContact CD1-CG2 4.35Å; I485-V517 CarbonylContact O-C 3.57Å; I485-V517 WeakPolarHBondContact O-CA 3.49Å; P488-V517 HydrophobicContact CG-CG1 3.72Å; A515-V517 HydrophobicContact CB-CG2 4.23Å; V517-E519 HydrophobicContact CG1-CG 3.88Å; V517-L528 HydrophobicContact CG1-CD1 4.01Å
518V93.8Very high88.9Confident0 Ų026.1 Ų26.10%013%0.128CC..EExtended strand (participates in β ladder)trans-91.9122.7168.9171.90000108.1M377 K385 I389 I485 E487 P488M377-V518 HydrophobicContact CB-CG2 3.82Å; M377-V518 HydrophobicContact CG-CG2 4.31Å; M377-V518 HydrophobicContact SD-CG2 3.87Å; K385-V518 HydrophobicContact CB-CG1 4.14Å; K385-V518 HydrophobicContact CB-CG2 3.96Å; K385-V518 HydrophobicContact CD-CG1 3.96Å; I389-V518 HydrophobicContact CD1-CB 4.29Å; I389-V518 HydrophobicContact CD1-CG2 3.37Å; I389-V518 HydrophobicContact CG1-CG2 4.16Å; I485-V518 PolarHBondContact O-N 3.17Å; E487-V518 VanDerWaalsContact CA-O 3.28Å; E487-V518 WeakPolarHBondContact CA-O 3.01Å; E487-V518 HydrophobicContact CG-CG1 4.3Å; E487-V518 PolarHBondContact N-O 3.17Å; P488-V518 WeakPolarHBondContact CD-O 3.4Å
519E90.4Very high88.8Confident0 Ų026.4 Ų26.40%013%0.13CC..  trans-138.6153.8179.9-91.9-60.8161.100112.7V376 L378 P488 S489 V517 D521 M524 A525V376-E519 HydrophobicContact CG1-CB 4.45Å; L378-E519 WeakPolarHBondContact CD2-O 3.28Å; P488-E519 WeakPolarHBondContact CD-OE1 3.46Å; P488-E519 HydrophobicContact CG-CG 4.24Å; P488-E519 WeakPolarHBondContact CG-OE1 3.3Å; S489-E519 WeakPolarHBondContact CB-OE1 3.45Å; S489-E519 WeakPolarHBondContact CB-OE2 3.3Å; S489-E519 PolarHBondContact N-OE1 2.69Å; S489-E519 VanDerWaalsContact OG-CD 3.29Å; S489-E519 PolarHBondContact OG-OE1 3.23Å; S489-E519 VanDerWaalsContact OG-OE1 3.11Å; S489-E519 PolarHBondContact OG-OE2 3.29Å; V517-E519 HydrophobicContact CG1-CG 3.88Å; E519-D521 PolarHBondContact OE2-N 2.83Å; E519-M524 HydrophobicContact CG-CG 4.12Å; E519-M524 HydrophobicContact CG-SD 4.42Å; E519-M524 VanDerWaalsContact OE1-SD 3.38Å; E519-A525 HydrophobicContact CB-CB 4.32Å
520H86.8Confident88.9Confident6 Ų624.7 Ų24.73%0.02812%0.121CC..  trans-121-12.3174-71.9-74.3000112.2V249 R252 G379 N381 K385 E487V249-H520 WeakPolarHBondContact CG2-O 3.35Å; R252-H520 PolarHBondContact NH1-O 3.46Å; G379-H520 PolarHBondContact O-CE1 2.83Å; N381-H520 PolarHBondContact OD1-CE1 3.48Å; N381-H520 PolarHBondContact OD1-NE2 2.97Å; K385-H520 PolarHBondContact NZ-CE1 3.06Å; K385-H520 PolarHBondContact NZ-NE2 3.1Å; E487-H520 IonicContact OE1-CD2 2.76Å; E487-H520 PolarHBondContact OE1-CD2 3.05Å; E487-H520 IonicContact OE1-NE2 3.8Å; E487-H520 PolarHBondContact OE1-NE2 3.3Å
521D87Confident89.2Confident8 Ų821.8 Ų21.84%0.04311%0.105CC..  trans-85.8116174.3-172.7-40.9000109.7R497 E519 I523 M524 A525R497-D521 VanDerWaalsContact CD-OD2 3.27Å; R497-D521 WeakPolarHBondContact CD-OD2 3.46Å; R497-D521 IonicContact CZ-OD2 3.06Å; R497-D521 IonicContact NE-OD2 3.31Å; R497-D521 IonicContact NH1-OD2 3.25Å; R497-D521 PolarHBondContact NH1-OD2 2.94Å; E519-D521 PolarHBondContact OE2-N 2.83Å; D521-I523 VanDerWaalsContact C-N 3.28Å; D521-I523 PolarHBondContact O-N 3.02Å; D521-I523 WeakPolarHBondContact OD1-CB 3.46Å; D521-I523 PolarHBondContact OD1-N 3.11Å; D521-M524 HydrophobicContact CB-CB 4.02Å; D521-M524 PolarHBondContact O-N 3.32Å; D521-M524 PolarHBondContact OD1-N 2.89Å; D521-A525 VanDerWaalsContact O-CB 3.3Å; D521-A525 WeakPolarHBondContact O-CB 3.48Å; D521-A525 PolarHBondContact O-N 2.88Å
522F85.4Confident89.5Confident8 Ų819.9 Ų19.94%0.0359%0.09CC..Hα-helixtrans-60.7-36.3-178.1-76.1-66.8000113.5V249 T526 M555 F558 L559 F566V249-F522 HydrophobicContact CB-CE2 4.42Å; V249-F522 HydrophobicContact CB-CZ 4.31Å; V249-F522 HydrophobicContact CG1-CE1 4.21Å; V249-F522 HydrophobicContact CG1-CE2 3.39Å; V249-F522 HydrophobicContact CG1-CZ 3.19Å; V249-F522 HydrophobicContact CG2-CE2 4.21Å; V249-F522 HydrophobicContact CG2-CZ 4.14Å; F522-T526 WeakPolarHBondContact O-CB 3.49Å; F522-T526 VanDerWaalsContact O-CG2 3.27Å; F522-T526 WeakPolarHBondContact O-CG2 3.45Å; F522-T526 PolarHBondContact O-N 2.83Å; F522-T526 PolarHBondContact O-OG1 3.34Å; F522-M555 HydrophobicContact CD1-CE 3.92Å; F522-M555 HydrophobicContact CE1-CE 4.17Å; F522-F558 HydrophobicContact CE1-CD1 4.16Å; F522-F558 AromaticContact CE1-CE1 3.79Å; F522-F558 HydrophobicContact CE1-CE1 3.79Å; F522-F558 HydrophobicContact CZ-CE1 4.14Å; F522-L559 HydrophobicContact CE1-CD2 3.71Å; F522-L559 HydrophobicContact CZ-CD2 3.8Å; F522-F566 HydrophobicContact CB-CE1 4.33Å; F522-F566 HydrophobicContact CB-CZ 4.2Å; F522-F566 HydrophobicContact CD1-CE2 4.38Å; F522-F566 HydrophobicContact CD1-CZ 4.04Å; F522-F566 HydrophobicContact CD2-CE1 4.28Å; F522-F566 HydrophobicContact CD2-CE2 4.2Å; F522-F566 AromaticContact CD2-CZ 3.42Å; F522-F566 HydrophobicContact CD2-CZ 3.42Å; F522-F566 VanDerWaalsContact CD2-CZ 3.42Å; F522-F566 HydrophobicContact CE1-CE2 4.06Å; F522-F566 HydrophobicContact CE1-CZ 4.12Å; F522-F566 AromaticContact CE2-CE2 3.84Å; F522-F566 HydrophobicContact CE2-CE2 3.84Å; F522-F566 AromaticContact CE2-CZ 3.49Å; F522-F566 HydrophobicContact CE2-CZ 3.49Å; F522-F566 VanDerWaalsContact CE2-CZ 3.49Å; F522-F566 HydrophobicContact CG-CE1 4.26Å; F522-F566 HydrophobicContact CG-CE2 4.39Å; F522-F566 AromaticContact CG-CZ 3.64Å; F522-F566 HydrophobicContact CG-CZ 3.64Å; F522-F566 AromaticContact CZ-CE2 3.72Å; F522-F566 HydrophobicContact CZ-CE2 3.72Å; F522-F566 AromaticContact CZ-CZ 3.81Å; F522-F566 HydrophobicContact CZ-CZ 3.81Å
523I84.6Confident89.9Confident11 Ų1112.9 Ų12.96%0.0566%0.06CC..Hα-helixtrans-68.5-44.3-178.7-66.1174.5000109.1L276 F331 D521 T526 Y527 P575L276-I523 HydrophobicContact CB-CD1 3.69Å; L276-I523 HydrophobicContact CD1-CD1 4.12Å; L276-I523 HydrophobicContact CG-CD1 4.33Å; F331-I523 HydrophobicContact CD1-CG2 3.68Å; F331-I523 HydrophobicContact CE1-CB 4.49Å; F331-I523 HydrophobicContact CE1-CG2 3Å; F331-I523 HydrophobicContact CZ-CG2 3.49Å; F331-I523 VanDerWaalsContact CZ-CG2 3.49Å; D521-I523 VanDerWaalsContact C-N 3.28Å; D521-I523 PolarHBondContact O-N 3.02Å; D521-I523 WeakPolarHBondContact OD1-CB 3.46Å; D521-I523 PolarHBondContact OD1-N 3.11Å; I523-T526 PolarHBondContact O-OG1 3.32Å; I523-Y527 VanDerWaalsContact O-CB 3.24Å; I523-Y527 WeakPolarHBondContact O-CB 3.44Å; I523-Y527 PolarHBondContact O-N 2.91Å; I523-Y527 VanDerWaalsContact O-N 3.09Å; I523-P575 HydrophobicContact CG1-CG 3.86Å
524M87.8Confident90.1Very high4 Ų410.2 Ų10.22%0.025%0.048CC..Hα-helixtrans-67.8-43.9177.4-172.7156.9-176.400111.9P488 C500 A501 I504 E519 D521 Y527 L528P488-M524 HydrophobicContact CB-CE 3.81Å; P488-M524 HydrophobicContact CG-CE 3.63Å; C500-M524 HydrophobicContact CB-CE 4.29Å; A501-M524 HydrophobicContact CB-CE 4.06Å; A501-M524 HydrophobicContact CB-CG 3.88Å; A501-M524 HydrophobicContact CB-SD 4.38Å; I504-M524 HydrophobicContact CD1-CE 3.87Å; E519-M524 HydrophobicContact CG-CG 4.12Å; E519-M524 HydrophobicContact CG-SD 4.42Å; E519-M524 VanDerWaalsContact OE1-SD 3.38Å; D521-M524 HydrophobicContact CB-CB 4.02Å; D521-M524 PolarHBondContact O-N 3.32Å; D521-M524 PolarHBondContact OD1-N 2.89Å; M524-Y527 PolarHBondContact O-N 2.87Å; M524-L528 HydrophobicContact CE-CD1 3.82Å; M524-L528 HydrophobicContact CG-CD1 3.73Å; M524-L528 HydrophobicContact CG-CG 4.33Å; M524-L528 WeakPolarHBondContact O-CB 3.33Å; M524-L528 VanDerWaalsContact O-CG 3.29Å; M524-L528 WeakPolarHBondContact O-CG 3.18Å; M524-L528 PolarHBondContact O-N 3.03Å
525A88.8Confident90.2Very high1 Ų110.3 Ų10.31%0.0085%0.048CC..Hα-helixtrans-59-50.3177.700000111.9V376 L378 E519 D521 Y527 L528 A529V376-A525 HydrophobicContact CG1-CB 3.95Å; L378-A525 HydrophobicContact CD2-CB 4.05Å; E519-A525 HydrophobicContact CB-CB 4.32Å; D521-A525 VanDerWaalsContact O-CB 3.3Å; D521-A525 WeakPolarHBondContact O-CB 3.48Å; D521-A525 PolarHBondContact O-N 2.88Å; A525-Y527 VanDerWaalsContact C-N 3.32Å; A525-Y527 PolarHBondContact O-N 2.98Å; A525-L528 PolarHBondContact O-N 2.81Å; A525-A529 WeakPolarHBondContact O-CB 3.01Å; A525-A529 PolarHBondContact O-N 2.85Å
526T85.9Confident90Very high15 Ų1511.9 Ų11.99%0.0926%0.057CC..Hα-helixtrans-67.6-31.1-179.951.90000113.2F522 I523 M555 F595F522-T526 WeakPolarHBondContact O-CB 3.49Å; F522-T526 VanDerWaalsContact O-CG2 3.27Å; F522-T526 WeakPolarHBondContact O-CG2 3.45Å; F522-T526 PolarHBondContact O-N 2.83Å; F522-T526 PolarHBondContact O-OG1 3.34Å; I523-T526 PolarHBondContact O-OG1 3.32Å; T526-M555 HydrophobicContact CG2-CE 3.89Å; T526-M555 HydrophobicContact CG2-SD 4.49Å; T526-F595 HydrophobicContact CG2-CE2 3.81Å; T526-F595 HydrophobicContact CG2-CZ 3.68Å
527Y85.9Confident89.6Confident44 Ų4414.3 Ų14.317%0.1738%0.082CC..Hα-helixtrans-72.5-39.4176.5-175.5-92.2000112.4F331 L498 A501 K502 K505 I523 M524 A525F331-Y527 HydrophobicContact CD1-CD2 4.41Å; L498-Y527 HydrophobicContact CD1-CD2 4.47Å; L498-Y527 HydrophobicContact CD1-CG 4.47Å; A501-Y527 HydrophobicContact CB-CD1 3.67Å; A501-Y527 HydrophobicContact CB-CE1 4.2Å; A501-Y527 HydrophobicContact CB-CG 4.5Å; K502-Y527 HydrophobicContact CB-CE1 4.31Å; K505-Y527 HydrophobicContact CB-CE1 4.27Å; K505-Y527 HydrophobicContact CD-CD1 4.38Å; K505-Y527 HydrophobicContact CD-CE1 4.12Å; K505-Y527 VanDerWaalsContact CD-O 3.24Å; K505-Y527 WeakPolarHBondContact CD-O 3.26Å; K505-Y527 PolarHBondContact NZ-O 3.49Å; I523-Y527 VanDerWaalsContact O-CB 3.24Å; I523-Y527 WeakPolarHBondContact O-CB 3.44Å; I523-Y527 PolarHBondContact O-N 2.91Å; I523-Y527 VanDerWaalsContact O-N 3.09Å; M524-Y527 PolarHBondContact O-N 2.87Å; A525-Y527 VanDerWaalsContact C-N 3.32Å; A525-Y527 PolarHBondContact O-N 2.98Å
528L88.9Confident89.1Confident0 Ų019.4 Ų19.40%011%0.108CC..Hα-helixtrans-79.9-45.2-177.2-73.7177.4000113.2I374 V376 A501 I504 K505 V517 M524 A525 D530I374-L528 WeakPolarHBondContact CB-O 3.39Å; I374-L528 HydrophobicContact CG2-CB 4.2Å; I374-L528 WeakPolarHBondContact CG2-O 3.27Å; V376-L528 HydrophobicContact CG2-CB 4.1Å; A501-L528 HydrophobicContact CB-CD2 4.18Å; A501-L528 HydrophobicContact CB-CG 4.16Å; A501-L528 WeakPolarHBondContact O-CD2 3.44Å; I504-L528 HydrophobicContact CB-CD2 3.93Å; I504-L528 HydrophobicContact CD1-CD1 4.34Å; I504-L528 HydrophobicContact CG2-CD2 3.93Å; K505-L528 HydrophobicContact CB-CD2 4.11Å; V517-L528 HydrophobicContact CG1-CD1 4.01Å; M524-L528 HydrophobicContact CE-CD1 3.82Å; M524-L528 HydrophobicContact CG-CD1 3.73Å; M524-L528 HydrophobicContact CG-CG 4.33Å; M524-L528 WeakPolarHBondContact O-CB 3.33Å; M524-L528 VanDerWaalsContact O-CG 3.29Å; M524-L528 WeakPolarHBondContact O-CG 3.18Å; M524-L528 PolarHBondContact O-N 3.03Å; A525-L528 PolarHBondContact O-N 2.81Å; L528-D530 PolarHBondContact O-N 3.25Å
529A88.1Confident88.6Confident5 Ų521.2 Ų21.24%0.04112%0.12CC..  trans-66.5129.3-166.200000113.4V376 A525 V532 L551V376-A529 HydrophobicContact CB-CB 3.8Å; V376-A529 HydrophobicContact CG2-CB 3.5Å; V376-A529 VanDerWaalsContact CG2-CB 3.5Å; A525-A529 WeakPolarHBondContact O-CB 3.01Å; A525-A529 PolarHBondContact O-N 2.85Å; A529-V532 HydrophobicContact CB-CG2 3.91Å; A529-L551 HydrophobicContact CB-CD1 3.7Å
530D87.9Confident88.1Confident50 Ų5025 Ų2527%0.26715%0.147SC..SBendtrans-96.7-42.5159.6-52.5-46.3000109E373 I374 K505 L528E373-D530 HydrophobicContact CG-CB 4.19Å; I374-D530 PolarHBondContact N-OD2 3.29Å; I374-D530 PolarHBondContact O-N 3.46Å; K505-D530 IonicContact NZ-OD1 2.89Å; L528-D530 PolarHBondContact O-N 3.25Å
531R91.4Very high88.1Confident58 Ų5833.1 Ų33.122%0.21918%0.177CC..EExtended strand (participates in β ladder)trans-124.4156.8169.6-74.217783.9-173.14.6112.1E368 E373 I374 M375 V376 P548 Q549E368-R531 PolarHBondContact O-NH1 3.45Å; E373-R531 WeakPolarHBondContact OE1-CD 3.47Å; E373-R531 WeakPolarHBondContact OE1-CG 3.46Å; E373-R531 IonicContact OE2-NH1 3.35Å; I374-R531 PolarHBondContact O-N 3.15Å; M375-R531 WeakPolarHBondContact CA-O 3.2Å; M375-R531 HydrophobicContact CG-CB 4.21Å; V376-R531 PolarHBondContact N-O 2.78Å; R531-P548 HydrophobicContact CB-CB 4.45Å; R531-P548 PolarHBondContact NE-O 3.07Å; R531-P548 PolarHBondContact NH2-O 3.43Å; R531-Q549 CarbonylContact C-O 3.48Å; R531-Q549 WeakPolarHBondContact CA-O 3.15Å; R531-Q549 VanDerWaalsContact CB-O 3.25Å; R531-Q549 WeakPolarHBondContact CB-O 3.5Å; R531-Q549 WeakPolarHBondContact CG-O 3.39Å
532V93.3Very high88.2Confident1 Ų136.3 Ų36.31%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-126.2133.1-177.8177.80000110.2V376 L378 A529 V534 Q549 L551V376-V532 CarbonylContact O-C 3.59Å; V376-V532 VanDerWaalsContact O-CA 3.29Å; V376-V532 WeakPolarHBondContact O-CA 3.47Å; L378-V532 HydrophobicContact CB-CG1 4.46Å; L378-V532 HydrophobicContact CD1-CG1 3.69Å; L378-V532 HydrophobicContact CG-CG1 4.01Å; A529-V532 HydrophobicContact CB-CG2 3.91Å; V532-V534 HydrophobicContact CG1-CG2 3.92Å; V532-Q549 PolarHBondContact N-O 2.65Å; V532-Q549 PolarHBondContact O-N 3.15Å; V532-L551 HydrophobicContact CG2-CD1 3.74Å
533I95.1Very high88.6Confident0 Ų036.1 Ų36.10%020%0.199CC..EExtended strand (participates in β ladder)trans-106.4112.1170.8-63.3172.7000107.2M375 V376 M377 L378 F388 F516 F535 A545 P548M375-I533 HydrophobicContact CB-CD1 4.43Å; M375-I533 HydrophobicContact SD-CD1 4.26Å; V376-I533 PolarHBondContact O-N 3.34Å; M377-I533 WeakPolarHBondContact CA-O 3.26Å; M377-I533 HydrophobicContact CE-CD1 4.43Å; M377-I533 HydrophobicContact CG-CB 4.24Å; M377-I533 HydrophobicContact CG-CD1 4.46Å; L378-I533 PolarHBondContact N-O 2.87Å; F388-I533 HydrophobicContact CE1-CD1 4.18Å; F516-I533 HydrophobicContact CD1-CD1 4.31Å; F516-I533 HydrophobicContact CE1-CD1 4.09Å; I533-F535 HydrophobicContact CG2-CD2 4.28Å; I533-F535 HydrophobicContact CG2-CE2 3.9Å; I533-A545 HydrophobicContact CG2-CB 4.37Å; I533-P548 HydrophobicContact CD1-CB 4.37Å; I533-P548 HydrophobicContact CD1-CG 3.97Å; I533-P548 HydrophobicContact CG1-CB 3.83Å; I533-P548 HydrophobicContact CG1-CG 3.86Å
534V94.3Very high89Confident1 Ų136.7 Ų36.71%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-94.5131.1178.7-172.80000109.3V532 D536 N546 G554 F558V532-V534 HydrophobicContact CG1-CG2 3.92Å; V534-D536 WeakPolarHBondContact CG1-OD1 3.47Å; V534-N546 WeakPolarHBondContact O-CB 3.05Å; V534-N546 PolarHBondContact O-N 3.27Å; V534-N546 PolarHBondContact O-ND2 2.89Å; V534-G554 WeakPolarHBondContact CG2-O 3.3Å; V534-F558 HydrophobicContact CG1-CB 3.96Å; V534-F558 HydrophobicContact CG1-CD2 4.09Å; V534-F558 HydrophobicContact CG1-CG 4.5Å; V534-F558 HydrophobicContact CG2-CB 4.14Å
535F93.3Very high89.3Confident4 Ų436.6 Ų36.62%0.01821%0.205CC..EExtended strand (participates in β ladder)trans-95.4122.1172.9-76.9-110.3000110.4L362 M377 L378 T383 K385 F388 I533 A544 A545L362-F535 HydrophobicContact CD1-CD1 4.32Å; L362-F535 HydrophobicContact CD1-CE1 4.01Å; M377-F535 HydrophobicContact CB-CE2 4.03Å; M377-F535 HydrophobicContact CG-CE2 4.17Å; M377-F535 HydrophobicContact SD-CE2 4.1Å; M377-F535 HydrophobicContact SD-CZ 4.3Å; L378-F535 PolarHBondContact O-N 3.1Å; T383-F535 HydrophobicContact CG2-CB 4.43Å; T383-F535 VanDerWaalsContact O-CD1 3.25Å; T383-F535 WeakPolarHBondContact O-CD1 3.38Å; K385-F535 HydrophobicContact CB-CE2 4.46Å; K385-F535 HydrophobicContact CB-CZ 4.34Å; K385-F535 HydrophobicContact CD-CD2 4.5Å; K385-F535 HydrophobicContact CG-CD1 4.3Å; K385-F535 HydrophobicContact CG-CD2 3.87Å; K385-F535 HydrophobicContact CG-CE1 4.29Å; K385-F535 HydrophobicContact CG-CE2 3.88Å; K385-F535 HydrophobicContact CG-CG 4.08Å; K385-F535 HydrophobicContact CG-CZ 4.08Å; F388-F535 HydrophobicContact CB-CE1 4.43Å; F388-F535 HydrophobicContact CB-CZ 3.98Å; F388-F535 HydrophobicContact CD1-CE2 4.42Å; F388-F535 AromaticContact CD1-CZ 3.78Å; F388-F535 HydrophobicContact CD1-CZ 3.78Å; F388-F535 HydrophobicContact CG-CZ 4.32Å; I533-F535 HydrophobicContact CG2-CD2 4.28Å; I533-F535 HydrophobicContact CG2-CE2 3.9Å; F535-A544 WeakPolarHBondContact CA-O 3.31Å; F535-A545 HydrophobicContact CD1-CB 4.01Å; F535-A545 HydrophobicContact CD2-CB 4.49Å; F535-A545 HydrophobicContact CE1-CB 3.66Å; F535-A545 HydrophobicContact CE2-CB 4.15Å; F535-A545 HydrophobicContact CG-CB 4.44Å; F535-A545 HydrophobicContact CZ-CB 3.74Å
536D90Very high89.6Confident32 Ų3237.4 Ų37.417%0.17121%0.21CC..EExtended strand (participates in β ladder)trans-107.6161.3179.4-58.9-10.6000110.8V534 T543 A544 N546 K557 Q561V534-D536 WeakPolarHBondContact CG1-OD1 3.47Å; D536-T543 CarbonylContact O-C 3.58Å; D536-T543 WeakPolarHBondContact O-CA 3.37Å; D536-T543 WeakPolarHBondContact O-CB 3.4Å; D536-A544 PolarHBondContact N-O 3.5Å; D536-A544 PolarHBondContact O-N 2.74Å; D536-N546 PolarHBondContact OD1-ND2 3.21Å; D536-N546 VanDerWaalsContact OD1-ND2 3.16Å; D536-N546 PolarHBondContact OD2-ND2 3.02Å; D536-K557 WeakPolarHBondContact OD2-CE 3.34Å; D536-K557 IonicContact OD2-NZ 3.2Å; D536-K557 PolarHBondContact OD2-NZ 2.96Å; D536-Q561 PolarHBondContact OD1-NE2 2.96Å
537G87.3Confident90Very high53 Ų5339.4 Ų39.455%0.54622%0.222SC..EExtended strand (participates in β ladder)trans114.8-167171.900000113.9S542G537-S542 CarbonylContact C-O 3.37Å; G537-S542 WeakPolarHBondContact CA-O 3.37Å
538I84.6Confident90.4Very high106 Ų10637.6 Ų37.654%0.54422%0.216SC..EExtended strand (participates in β ladder)trans-97119-176.8-56.8171000108.2S540 R541 S542I538-S540 PolarHBondContact O-N 3.36Å; I538-R541 HydrophobicContact CB-CB 4.32Å; I538-R541 HydrophobicContact CG2-CB 4.3Å; I538-R541 HydrophobicContact CG2-CG 4.42Å; I538-R541 PolarHBondContact O-N 3.24Å; I538-R541 VanDerWaalsContact O-N 3.14Å; I538-S542 PolarHBondContact N-O 2.82Å; I538-S542 PolarHBondContact O-N 3.06Å
539P83.1Confident90.5Very high39 Ų3940.1 Ų40.125%0.25323%0.228SC..THydrogen-bonded Turntrans-49.1138.6178.1-29.735.9000112.8E380 N381 R541E380-P539 HydrophobicContact CB-CG 4.03Å; E380-P539 WeakPolarHBondContact OE2-CG 3.25Å; N381-P539 WeakPolarHBondContact O-CB 3.44Å; P539-R541 PolarHBondContact O-N 3.16Å; P539-R541 VanDerWaalsContact O-N 3.08Å
540S80.4Confident90.6Very high79 Ų7944.1 Ų44.155%0.55225%0.252SS*.THydrogen-bonded Turntrans61.39.3178.7-44.40000116.2G382 I538G382-S540 PolarHBondContact O-N 2.76Å; I538-S540 PolarHBondContact O-N 3.36Å
541R86.3Confident90.6Very high177 Ų17743 Ų4367%0.66825%0.245SC*.THydrogen-bonded Turntrans-122.5-68.8173.5-71.9-168.9175.2-168.4-0.9113.2F360 A361 I538 P539F360-R541 WeakPolarHBondContact CA-O 3.42Å; A361-R541 PolarHBondContact N-O 3.11Å; I538-R541 HydrophobicContact CB-CB 4.32Å; I538-R541 HydrophobicContact CG2-CB 4.3Å; I538-R541 HydrophobicContact CG2-CG 4.42Å; I538-R541 PolarHBondContact O-N 3.24Å; I538-R541 VanDerWaalsContact O-N 3.14Å; P539-R541 PolarHBondContact O-N 3.16Å; P539-R541 VanDerWaalsContact O-N 3.08Å
542S90.3Very high90.4Very high75 Ų7543.1 Ų43.152%0.52425%0.25SS..EExtended strand (participates in β ladder)trans-149.8119.9-176.7179.40000109.2A361 G537 I538A361-S542 VanDerWaalsContact O-CA 3.31Å; A361-S542 WeakPolarHBondContact O-CA 3.27Å; G537-S542 CarbonylContact C-O 3.37Å; G537-S542 WeakPolarHBondContact CA-O 3.37Å; I538-S542 PolarHBondContact N-O 2.82Å; I538-S542 PolarHBondContact O-N 3.06Å
543T93.2Very high90.2Very high3 Ų344.9 Ų44.92%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-135.6151.2-178.956.60000112.4F360 A361 L362 E363 T383 D536F360-T543 HydrophobicContact CE2-CG2 4.21Å; F360-T543 WeakPolarHBondContact CE2-OG1 3.43Å; F360-T543 WeakPolarHBondContact CZ-OG1 3.45Å; A361-T543 PolarHBondContact O-N 3.32Å; L362-T543 WeakPolarHBondContact CA-O 3.46Å; E363-T543 PolarHBondContact N-O 3.41Å; T383-T543 HydrophobicContact CG2-CG2 4.14Å; T383-T543 WeakPolarHBondContact O-CB 3.43Å; T383-T543 PolarHBondContact O-OG1 3.36Å; D536-T543 CarbonylContact O-C 3.58Å; D536-T543 WeakPolarHBondContact O-CA 3.37Å; D536-T543 WeakPolarHBondContact O-CB 3.4Å
544A93.9Very high89.9Confident24 Ų2444.9 Ų44.920%0.19827%0.265CS..EExtended strand (participates in β ladder)trans-122.9125.517800000110.2E363 F535 D536E363-A544 CarbonylContact O-C 3.59Å; E363-A544 VanDerWaalsContact O-CA 3.22Å; E363-A544 WeakPolarHBondContact O-CA 3.15Å; F535-A544 WeakPolarHBondContact CA-O 3.31Å; D536-A544 PolarHBondContact N-O 3.5Å; D536-A544 PolarHBondContact O-N 2.74Å
545A94.4Very high89.7Confident1 Ų144.9 Ų44.91%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-83.4117.6166.700000108.6E363 I364 L365 I533 F535E363-A545 PolarHBondContact O-N 3.34Å; I364-A545 HydrophobicContact CB-CB 4.45Å; I364-A545 HydrophobicContact CG1-CB 4.14Å; I364-A545 HydrophobicContact CG2-CB 4.41Å; L365-A545 WeakPolarHBondContact CB-O 3.46Å; L365-A545 WeakPolarHBondContact CG-O 3.45Å; L365-A545 PolarHBondContact N-O 3.38Å; I533-A545 HydrophobicContact CG2-CB 4.37Å; F535-A545 HydrophobicContact CD1-CB 4.01Å; F535-A545 HydrophobicContact CD2-CB 4.49Å; F535-A545 HydrophobicContact CE1-CB 3.66Å; F535-A545 HydrophobicContact CE2-CB 4.15Å; F535-A545 HydrophobicContact CG-CB 4.44Å; F535-A545 HydrophobicContact CZ-CB 3.74Å
546N94.7Very high89.6Confident18 Ų1845.7 Ų45.710%0.09627%0.269CS..PPolyproline II helixtrans-72.3163.6-179.5-70.3-70.5000112.3V534 D536 K557V534-N546 WeakPolarHBondContact O-CB 3.05Å; V534-N546 PolarHBondContact O-N 3.27Å; V534-N546 PolarHBondContact O-ND2 2.89Å; D536-N546 PolarHBondContact OD1-ND2 3.21Å; D536-N546 VanDerWaalsContact OD1-ND2 3.16Å; D536-N546 PolarHBondContact OD2-ND2 3.02Å; N546-K557 PolarHBondContact ND2-NZ 3.38Å; N546-K557 PolarHBondContact OD1-NZ 3.34Å
547T93.7Very high89.6Confident58 Ų5846.9 Ų46.936%0.35627%0.273SS..PPolyproline II helixtrans-58.3146168.865.50000109.9L365 E366 Q549L365-T547 HydrophobicContact CB-CG2 3.92Å; L365-T547 HydrophobicContact CD1-CG2 4.42Å; E366-T547 WeakPolarHBondContact O-CG2 3.35Å; T547-Q549 WeakPolarHBondContact O-CG 3.42Å; T547-Q549 PolarHBondContact O-N 3.1Å
548P93.4Very high89.8Confident6 Ų644.5 Ų44.54%0.03925%0.248CC..PPolyproline II helixtrans-63.5129.1-179.3-1728.7000110.4Y350 M375 R531 I533Y350-P548 HydrophobicContact CE1-CG 4.4Å; Y350-P548 WeakPolarHBondContact OH-CD 3.34Å; Y350-P548 VanDerWaalsContact OH-CG 3.24Å; Y350-P548 WeakPolarHBondContact OH-CG 3.44Å; M375-P548 HydrophobicContact SD-CB 4.45Å; M375-P548 HydrophobicContact SD-CG 4.3Å; R531-P548 HydrophobicContact CB-CB 4.45Å; R531-P548 PolarHBondContact NE-O 3.07Å; R531-P548 PolarHBondContact NH2-O 3.43Å; I533-P548 HydrophobicContact CD1-CB 4.37Å; I533-P548 HydrophobicContact CD1-CG 3.97Å; I533-P548 HydrophobicContact CG1-CB 3.83Å; I533-P548 HydrophobicContact CG1-CG 3.86Å
549Q92Very high90Very high53 Ų5339.5 Ų39.525%0.24822%0.222CC..EExtended strand (participates in β ladder)trans-113.3165.6-178-66-178.7-1600110.8R531 V532 T547 A553R531-Q549 CarbonylContact C-O 3.48Å; R531-Q549 WeakPolarHBondContact CA-O 3.15Å; R531-Q549 VanDerWaalsContact CB-O 3.25Å; R531-Q549 WeakPolarHBondContact CB-O 3.5Å; R531-Q549 WeakPolarHBondContact CG-O 3.39Å; V532-Q549 PolarHBondContact N-O 2.65Å; V532-Q549 PolarHBondContact O-N 3.15Å; T547-Q549 WeakPolarHBondContact O-CG 3.42Å; T547-Q549 PolarHBondContact O-N 3.1Å; Q549-A553 HydrophobicContact CB-CB 4.22Å
550T90.2Very high90.3Very high89 Ų8939.8 Ų39.855%0.54623%0.225SC..EExtended strand (participates in β ladder)trans-59.7155.2169.661.70000110.4L552 A553 G554T550-L552 VanDerWaalsContact C-N 3.27Å; T550-L552 PolarHBondContact O-N 2.68Å; T550-A553 PolarHBondContact O-N 2.87Å; T550-A553 WeakPolarHBondContact OG1-CB 3.49Å; T550-A553 PolarHBondContact OG1-N 2.67Å; T550-G554 PolarHBondContact O-N 3.03Å
551L87.1Confident90.6Very high26 Ų2639.8 Ų39.814%0.13622%0.216CC..Hα-helixtrans-48.6-48.8178-179.861.7000112.4A529 V532 M555 F595A529-L551 HydrophobicContact CB-CD1 3.7Å; V532-L551 HydrophobicContact CG2-CD1 3.74Å; L551-M555 HydrophobicContact CD1-CG 3.74Å; L551-M555 HydrophobicContact CG-CG 4.36Å; L551-M555 WeakPolarHBondContact O-CB 2.98Å; L551-M555 WeakPolarHBondContact O-CG 3.43Å; L551-M555 PolarHBondContact O-N 3.43Å; L551-F595 HydrophobicContact CG-CE1 4.36Å
552L87.8Confident90.5Very high61 Ų6132.2 Ų32.232%0.31919%0.189SC..Hα-helixtrans-64.6-46.2-177.6-172.5146.9000112.3T550 N556 L597T550-L552 VanDerWaalsContact C-N 3.27Å; T550-L552 PolarHBondContact O-N 2.68Å; L552-N556 WeakPolarHBondContact CD2-ND2 3.34Å; L552-N556 VanDerWaalsContact O-CB 3.29Å; L552-N556 WeakPolarHBondContact O-CB 3.43Å; L552-N556 PolarHBondContact O-N 3.26Å; L552-N556 PolarHBondContact O-ND2 3.17Å; L552-N556 VanDerWaalsContact O-ND2 3.09Å; L552-L597 HydrophobicContact CD1-CD2 4.08Å
553A89.3Confident90.3Very high38 Ų3834.6 Ų34.631%0.31419%0.192SC..Hα-helixtrans-67.5-46.7-178.900000111.8Q549 T550 N556 K557Q549-A553 HydrophobicContact CB-CB 4.22Å; T550-A553 PolarHBondContact O-N 2.87Å; T550-A553 WeakPolarHBondContact OG1-CB 3.49Å; T550-A553 PolarHBondContact OG1-N 2.67Å; A553-N556 PolarHBondContact O-N 2.58Å; A553-K557 WeakPolarHBondContact O-CB 3.17Å; A553-K557 PolarHBondContact O-N 2.63Å
554G89.6Confident89.9Confident0 Ų035.7 Ų35.70%020%0.197CC..Hα-helixtrans-64.6-42.817900000112.4V534 T550 K557 F558V534-G554 WeakPolarHBondContact CG2-O 3.3Å; T550-G554 PolarHBondContact O-N 3.03Å; G554-K557 PolarHBondContact O-N 3.45Å; G554-F558 WeakPolarHBondContact O-CB 3.33Å; G554-F558 PolarHBondContact O-N 3.49Å
555M89.4Confident89.7Confident1 Ų134.5 Ų34.51%0.00519%0.187CC..Hα-helixtrans-65.7-43176.1-72.1-64.3-66.200112L378 F522 T526 L551 K557 F558 L559 F595L378-M555 HydrophobicContact CD1-SD 3.44Å; L378-M555 WeakPolarHBondContact CD1-SD 3.46Å; F522-M555 HydrophobicContact CD1-CE 3.92Å; F522-M555 HydrophobicContact CE1-CE 4.17Å; T526-M555 HydrophobicContact CG2-CE 3.89Å; T526-M555 HydrophobicContact CG2-SD 4.49Å; L551-M555 HydrophobicContact CD1-CG 3.74Å; L551-M555 HydrophobicContact CG-CG 4.36Å; L551-M555 WeakPolarHBondContact O-CB 2.98Å; L551-M555 WeakPolarHBondContact O-CG 3.43Å; L551-M555 PolarHBondContact O-N 3.43Å; M555-K557 VanDerWaalsContact C-N 3.34Å; M555-K557 PolarHBondContact O-N 2.79Å; M555-F558 PolarHBondContact O-N 3.1Å; M555-L559 HydrophobicContact CE-CD1 4.27Å; M555-L559 HydrophobicContact CE-CG 4.49Å; M555-L559 WeakPolarHBondContact O-CB 3.27Å; M555-L559 WeakPolarHBondContact O-CG 3.25Å; M555-L559 PolarHBondContact O-N 3.4Å; M555-F595 HydrophobicContact CB-CB 4.11Å; M555-F595 HydrophobicContact CB-CD1 4.06Å; M555-F595 HydrophobicContact CB-CD2 3.93Å; M555-F595 HydrophobicContact CB-CE1 4.39Å; M555-F595 HydrophobicContact CB-CE2 4.3Å; M555-F595 HydrophobicContact CB-CG 3.78Å; M555-F595 HydrophobicContact CB-CZ 4.49Å; M555-F595 HydrophobicContact CE-CD2 3.99Å; M555-F595 HydrophobicContact CE-CE2 3.72Å; M555-F595 HydrophobicContact CE-CZ 4.44Å; M555-F595 HydrophobicContact CG-CD2 4.38Å; M555-F595 HydrophobicContact CG-CE1 4.4Å; M555-F595 HydrophobicContact CG-CE2 4.25Å; M555-F595 HydrophobicContact CG-CZ 4.23Å
556N90.7Very high89.4Confident20 Ų2034.5 Ų34.511%0.10719%0.187CC..Hα-helixtrans-60-45.1175.5-87.1-44.4000111.8L552 A553 S560 Y594 F595L552-N556 WeakPolarHBondContact CD2-ND2 3.34Å; L552-N556 VanDerWaalsContact O-CB 3.29Å; L552-N556 WeakPolarHBondContact O-CB 3.43Å; L552-N556 PolarHBondContact O-N 3.26Å; L552-N556 PolarHBondContact O-ND2 3.17Å; L552-N556 VanDerWaalsContact O-ND2 3.09Å; A553-N556 PolarHBondContact O-N 2.58Å; N556-S560 VanDerWaalsContact O-CB 3.26Å; N556-S560 WeakPolarHBondContact O-CB 3.35Å; N556-S560 PolarHBondContact O-N 2.86Å; N556-S560 PolarHBondContact O-OG 3.42Å; N556-Y594 WeakPolarHBondContact OD1-CA 3.46Å; N556-Y594 PolarHBondContact OD1-N 3.35Å; N556-F595 PolarHBondContact OD1-N 3.06Å
557K90.8Very high89Confident58 Ų5837.1 Ų37.125%0.25220%0.196SC..Hα-helixtrans-60.1-51.2176.9-174.1173.8180-178.50111.2D536 N546 A553 G554 M555 L559 S560 Q561D536-K557 WeakPolarHBondContact OD2-CE 3.34Å; D536-K557 IonicContact OD2-NZ 3.2Å; D536-K557 PolarHBondContact OD2-NZ 2.96Å; N546-K557 PolarHBondContact ND2-NZ 3.38Å; N546-K557 PolarHBondContact OD1-NZ 3.34Å; A553-K557 WeakPolarHBondContact O-CB 3.17Å; A553-K557 PolarHBondContact O-N 2.63Å; G554-K557 PolarHBondContact O-N 3.45Å; M555-K557 VanDerWaalsContact C-N 3.34Å; M555-K557 PolarHBondContact O-N 2.79Å; K557-L559 PolarHBondContact O-N 3.43Å; K557-S560 PolarHBondContact O-N 3.39Å; K557-S560 PolarHBondContact O-OG 3.02Å; K557-Q561 WeakPolarHBondContact O-CG 3.47Å; K557-Q561 PolarHBondContact O-N 3.49Å
558F90.3Very high88.5Confident3 Ų337 Ų371%0.01319%0.189CC..Hα-helixtrans-61.7-45.9179.8-179.7-117.4000112.7V249 L378 F522 V534 G554 M555 S560 Q561 L562V249-F558 HydrophobicContact CB-CE1 4.36Å; V249-F558 HydrophobicContact CB-CZ 4.03Å; V249-F558 HydrophobicContact CG1-CE1 4.17Å; V249-F558 HydrophobicContact CG1-CZ 4.23Å; V249-F558 HydrophobicContact CG2-CE1 4.12Å; V249-F558 HydrophobicContact CG2-CZ 3.99Å; L378-F558 HydrophobicContact CB-CD1 4.24Å; L378-F558 HydrophobicContact CB-CD2 4.15Å; L378-F558 HydrophobicContact CB-CE1 4.33Å; L378-F558 HydrophobicContact CB-CE2 4.26Å; L378-F558 HydrophobicContact CB-CG 4.14Å; L378-F558 HydrophobicContact CB-CZ 4.33Å; L378-F558 HydrophobicContact CD1-CD1 3.94Å; L378-F558 HydrophobicContact CD1-CE1 4.39Å; L378-F558 HydrophobicContact CD1-CG 4.31Å; F522-F558 HydrophobicContact CE1-CD1 4.16Å; F522-F558 AromaticContact CE1-CE1 3.79Å; F522-F558 HydrophobicContact CE1-CE1 3.79Å; F522-F558 HydrophobicContact CZ-CE1 4.14Å; V534-F558 HydrophobicContact CG1-CB 3.96Å; V534-F558 HydrophobicContact CG1-CD2 4.09Å; V534-F558 HydrophobicContact CG1-CG 4.5Å; V534-F558 HydrophobicContact CG2-CB 4.14Å; G554-F558 WeakPolarHBondContact O-CB 3.33Å; G554-F558 PolarHBondContact O-N 3.49Å; M555-F558 PolarHBondContact O-N 3.1Å; F558-S560 VanDerWaalsContact C-N 3.34Å; F558-S560 PolarHBondContact O-N 2.73Å; F558-Q561 PolarHBondContact O-N 2.89Å; F558-L562 HydrophobicContact CD1-CD1 4.05Å; F558-L562 HydrophobicContact CD2-CD1 4.47Å; F558-L562 HydrophobicContact CE1-CD1 3.58Å; F558-L562 HydrophobicContact CE2-CD1 4.03Å; F558-L562 HydrophobicContact CG-CD1 4.49Å; F558-L562 HydrophobicContact CZ-CD1 3.58Å; F558-L562 WeakPolarHBondContact O-CG 3.31Å; F558-L562 PolarHBondContact O-N 2.9Å
559L89.6Confident87.9Confident0 Ų036.9 Ų36.90%019%0.188CC..Hα-helixtrans-68.9-32-179.2-70.2176.7000112.8F522 M555 K557 Q561 L562 E563 I564 F566 Y594 F595F522-L559 HydrophobicContact CE1-CD2 3.71Å; F522-L559 HydrophobicContact CZ-CD2 3.8Å; M555-L559 HydrophobicContact CE-CD1 4.27Å; M555-L559 HydrophobicContact CE-CG 4.49Å; M555-L559 WeakPolarHBondContact O-CB 3.27Å; M555-L559 WeakPolarHBondContact O-CG 3.25Å; M555-L559 PolarHBondContact O-N 3.4Å; K557-L559 PolarHBondContact O-N 3.43Å; L559-Q561 VanDerWaalsContact C-N 3.33Å; L559-Q561 PolarHBondContact O-N 2.89Å; L559-L562 PolarHBondContact O-N 2.86Å; L559-E563 PolarHBondContact O-N 2.91Å; L559-I564 WeakPolarHBondContact CB-O 3.44Å; L559-I564 PolarHBondContact O-N 3.32Å; L559-F566 HydrophobicContact CD1-CB 4.36Å; L559-F566 HydrophobicContact CD1-CD2 3.7Å; L559-F566 HydrophobicContact CD1-CE2 4.42Å; L559-F566 HydrophobicContact CD1-CG 4.36Å; L559-F566 HydrophobicContact CD2-CD2 3.58Å; L559-F566 HydrophobicContact CD2-CE2 3.5Å; L559-F566 VanDerWaalsContact CD2-CE2 3.5Å; L559-F566 HydrophobicContact CG-CD2 4.31Å; L559-Y594 HydrophobicContact CB-CG 4.33Å; L559-F595 HydrophobicContact CD1-CB 4.14Å; L559-F595 HydrophobicContact CD1-CD2 3.92Å
560S89.7Confident87.3Confident45 Ų4538.6 Ų38.632%0.31520%0.203SC..Hα-helixtrans-62.7-39.2174.974.30000112.4N556 K557 F558 L562 E563N556-S560 VanDerWaalsContact O-CB 3.26Å; N556-S560 WeakPolarHBondContact O-CB 3.35Å; N556-S560 PolarHBondContact O-N 2.86Å; N556-S560 PolarHBondContact O-OG 3.42Å; K557-S560 PolarHBondContact O-N 3.39Å; K557-S560 PolarHBondContact O-OG 3.02Å; F558-S560 VanDerWaalsContact C-N 3.34Å; F558-S560 PolarHBondContact O-N 2.73Å; S560-L562 PolarHBondContact O-N 3.32Å; S560-E563 PolarHBondContact O-N 2.88Å; S560-E563 VanDerWaalsContact O-N 3.15Å
561Q86.6Confident86.7Confident79 Ų7940 Ų4037%0.36921%0.207SC..Hα-helixtrans-66-29177.1-67.7169.4-5.700112.8D536 K557 F558 L559D536-Q561 PolarHBondContact OD1-NE2 2.96Å; K557-Q561 WeakPolarHBondContact O-CG 3.47Å; K557-Q561 PolarHBondContact O-N 3.49Å; F558-Q561 PolarHBondContact O-N 2.89Å; L559-Q561 VanDerWaalsContact C-N 3.33Å; L559-Q561 PolarHBondContact O-N 2.89Å
562L83.6Confident86.2Confident19 Ų1939.1 Ų39.110%0.09920%0.203CC..Hα-helixtrans-89.2-10.5179.1-57.6171.8000112.1V249 K250 F558 L559 S560 I564V249-L562 HydrophobicContact CB-CD1 4.26Å; V249-L562 HydrophobicContact CG1-CD1 3.42Å; V249-L562 VanDerWaalsContact CG1-CD1 3.42Å; K250-L562 HydrophobicContact CB-CD2 3.67Å; K250-L562 HydrophobicContact CD-CD2 4.14Å; K250-L562 HydrophobicContact CG-CD2 4.08Å; F558-L562 HydrophobicContact CD1-CD1 4.05Å; F558-L562 HydrophobicContact CD2-CD1 4.47Å; F558-L562 HydrophobicContact CE1-CD1 3.58Å; F558-L562 HydrophobicContact CE2-CD1 4.03Å; F558-L562 HydrophobicContact CG-CD1 4.49Å; F558-L562 HydrophobicContact CZ-CD1 3.58Å; F558-L562 WeakPolarHBondContact O-CG 3.31Å; F558-L562 PolarHBondContact O-N 2.9Å; L559-L562 PolarHBondContact O-N 2.86Å; S560-L562 PolarHBondContact O-N 3.32Å; L562-I564 VanDerWaalsContact C-N 3.29Å; L562-I564 HydrophobicContact CB-CD1 3.45Å; L562-I564 VanDerWaalsContact CB-CD1 3.45Å; L562-I564 WeakPolarHBondContact O-CD1 3.27Å; L562-I564 PolarHBondContact O-N 3.32Å
563E85.6Confident85.7Confident125 Ų12541 Ų4158%0.58421%0.208SC*.THydrogen-bonded Turntrans57.435.6-173.9-54.9-176158.500113.8L559 S560 K589L559-E563 PolarHBondContact O-N 2.91Å; S560-E563 PolarHBondContact O-N 2.88Å; S560-E563 VanDerWaalsContact O-N 3.15Å; E563-K589 WeakPolarHBondContact O-CE 3.33Å; E563-K589 PolarHBondContact O-NZ 3.07Å
564I86.4Confident85.4Confident25 Ų2539.1 Ų39.113%0.12819%0.194CC..  trans-120.4140178.6-66.8119.9000110.9L253 L559 L562 F566 I577 Y594L253-I564 HydrophobicContact CD1-CD1 3.09Å; L253-I564 HydrophobicContact CD1-CG1 3.73Å; L253-I564 HydrophobicContact CD1-CG2 4.48Å; L253-I564 HydrophobicContact CG-CD1 4.41Å; L559-I564 WeakPolarHBondContact CB-O 3.44Å; L559-I564 PolarHBondContact O-N 3.32Å; L562-I564 VanDerWaalsContact C-N 3.29Å; L562-I564 HydrophobicContact CB-CD1 3.45Å; L562-I564 VanDerWaalsContact CB-CD1 3.45Å; L562-I564 WeakPolarHBondContact O-CD1 3.27Å; L562-I564 PolarHBondContact O-N 3.32Å; I564-F566 HydrophobicContact CG2-CD2 4.19Å; I564-F566 HydrophobicContact CG2-CE2 4Å; I564-I577 HydrophobicContact CG2-CG2 3.84Å; I564-Y594 WeakPolarHBondContact O-CD1 3.45Å
565T89.1Confident85.1Confident0 Ų039.3 Ų39.30%019%0.194CC..  trans-110.2147.5176.460.40000111.8N578 D585 Q588 K589 Y594T565-N578 PolarHBondContact O-N 3.09Å; T565-N578 WeakPolarHBondContact OG1-CB 3.17Å; T565-N578 PolarHBondContact OG1-ND2 3.11Å; T565-D585 WeakPolarHBondContact CB-OD1 3.46Å; T565-D585 VanDerWaalsContact CG2-OD1 3.31Å; T565-D585 WeakPolarHBondContact CG2-OD1 3.37Å; T565-D585 WeakPolarHBondContact OG1-CA 3.49Å; T565-D585 PolarHBondContact OG1-OD1 3.39Å; T565-Q588 HydrophobicContact CG2-CB 3.63Å; T565-K589 HydrophobicContact CG2-CG 3.73Å; T565-Y594 HydrophobicContact CG2-CD1 3.81Å; T565-Y594 HydrophobicContact CG2-CE1 4.32Å; T565-Y594 HydrophobicContact CG2-CG 4.48Å
566F87.7Confident84.9Confident1 Ų141.3 Ų41.30%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-120147.6177.1-85.9-101.2000111.1F522 L559 I564 P575 R576 I577 Q588 Y594 F595F522-F566 HydrophobicContact CB-CE1 4.33Å; F522-F566 HydrophobicContact CB-CZ 4.2Å; F522-F566 HydrophobicContact CD1-CE2 4.38Å; F522-F566 HydrophobicContact CD1-CZ 4.04Å; F522-F566 HydrophobicContact CD2-CE1 4.28Å; F522-F566 HydrophobicContact CD2-CE2 4.2Å; F522-F566 AromaticContact CD2-CZ 3.42Å; F522-F566 HydrophobicContact CD2-CZ 3.42Å; F522-F566 VanDerWaalsContact CD2-CZ 3.42Å; F522-F566 HydrophobicContact CE1-CE2 4.06Å; F522-F566 HydrophobicContact CE1-CZ 4.12Å; F522-F566 AromaticContact CE2-CE2 3.84Å; F522-F566 HydrophobicContact CE2-CE2 3.84Å; F522-F566 AromaticContact CE2-CZ 3.49Å; F522-F566 HydrophobicContact CE2-CZ 3.49Å; F522-F566 VanDerWaalsContact CE2-CZ 3.49Å; F522-F566 HydrophobicContact CG-CE1 4.26Å; F522-F566 HydrophobicContact CG-CE2 4.39Å; F522-F566 AromaticContact CG-CZ 3.64Å; F522-F566 HydrophobicContact CG-CZ 3.64Å; F522-F566 AromaticContact CZ-CE2 3.72Å; F522-F566 HydrophobicContact CZ-CE2 3.72Å; F522-F566 AromaticContact CZ-CZ 3.81Å; F522-F566 HydrophobicContact CZ-CZ 3.81Å; L559-F566 HydrophobicContact CD1-CB 4.36Å; L559-F566 HydrophobicContact CD1-CD2 3.7Å; L559-F566 HydrophobicContact CD1-CE2 4.42Å; L559-F566 HydrophobicContact CD1-CG 4.36Å; L559-F566 HydrophobicContact CD2-CD2 3.58Å; L559-F566 HydrophobicContact CD2-CE2 3.5Å; L559-F566 VanDerWaalsContact CD2-CE2 3.5Å; L559-F566 HydrophobicContact CG-CD2 4.31Å; I564-F566 HydrophobicContact CG2-CD2 4.19Å; I564-F566 HydrophobicContact CG2-CE2 4Å; F566-P575 HydrophobicContact CD1-CB 3.72Å; F566-P575 HydrophobicContact CE1-CB 4.02Å; F566-R576 WeakPolarHBondContact CA-O 3.48Å; F566-I577 HydrophobicContact CD1-CG1 4.07Å; F566-I577 HydrophobicContact CD2-CG1 4.49Å; F566-I577 HydrophobicContact CE1-CB 4.46Å; F566-I577 HydrophobicContact CE1-CD1 4.19Å; F566-I577 HydrophobicContact CE1-CG1 3.33Å; F566-I577 HydrophobicContact CE2-CD1 4.35Å; F566-I577 HydrophobicContact CE2-CG1 3.8Å; F566-I577 HydrophobicContact CZ-CB 4.47Å; F566-I577 HydrophobicContact CZ-CD1 3.69Å; F566-I577 HydrophobicContact CZ-CG1 3.19Å; F566-Q588 PolarHBondContact O-NE2 3.2Å; F566-Q588 PolarHBondContact O-OE1 3.24Å; F566-Y594 PolarHBondContact N-O 2.87Å; F566-F595 HydrophobicContact CB-CD2 4.45Å
567R86.6Confident84.7Confident73 Ų7340.7 Ų40.728%0.27520%0.198SC..EExtended strand (participates in β ladder)trans-129.2161.3170.161.2-179.7174.3178.8-1.5110.5R576 N578R567-R576 HydrophobicContact CG-CB 4.18Å; R567-R576 PolarHBondContact N-O 3.48Å; R567-R576 PolarHBondContact O-N 2.9Å; R567-N578 WeakPolarHBondContact CD-OD1 3.37Å; R567-N578 PolarHBondContact NE-OD1 3.39Å; R567-N578 VanDerWaalsContact NE-OD1 3.12Å
568R82.9Confident84.4Confident56 Ų5638.1 Ų38.121%0.21119%0.188CC..EExtended strand (participates in β ladder)trans-84142.6169.7-76.3179.9170.7161.71111V333 F596 D598V333-R568 VanDerWaalsContact CG2-NH2 3.31Å; R568-F596 HydrophobicContact CB-CD1 4.46Å; R568-F596 HydrophobicContact CG-CB 4.07Å; R568-F596 HydrophobicContact CG-CD1 3.4Å; R568-F596 VanDerWaalsContact CG-CD1 3.4Å; R568-F596 HydrophobicContact CG-CD2 3.86Å; R568-F596 HydrophobicContact CG-CE1 3.61Å; R568-F596 HydrophobicContact CG-CE2 4.15Å; R568-F596 HydrophobicContact CG-CG 3.48Å; R568-F596 VanDerWaalsContact CG-CG 3.48Å; R568-F596 HydrophobicContact CG-CZ 3.97Å; R568-F596 VanDerWaalsContact NE-CZ 3.32Å; R568-D598 IonicContact CZ-OD1 3.82Å; R568-D598 IonicContact NH1-OD1 2.81Å; R568-D598 PolarHBondContact NH1-OD1 3.4Å; R568-D598 IonicContact NH2-OD1 3.5Å; R568-D598 PolarHBondContact NH2-OD1 3.36Å
569D82.1Confident84.1Confident3 Ų342.2 Ų42.22%0.01621%0.205CC..  trans-73.9131.2159.3-165.1-77.8000109.2R306 N571 N572 F573 R574R306-D569 WeakPolarHBondContact CG-OD2 3.43Å; R306-D569 IonicContact CZ-OD1 2.86Å; R306-D569 IonicContact CZ-OD2 3.47Å; R306-D569 IonicContact NE-OD1 3.79Å; R306-D569 IonicContact NE-OD2 2.83Å; R306-D569 PolarHBondContact NE-OD2 3.06Å; R306-D569 IonicContact NH2-OD1 3.48Å; R306-D569 PolarHBondContact NH2-OD1 3.47Å; R306-D569 IonicContact NH2-OD2 3.09Å; D569-N571 PolarHBondContact O-N 3.29Å; D569-N571 WeakPolarHBondContact OD1-CB 3.5Å; D569-N571 PolarHBondContact OD1-N 3.15Å; D569-N572 WeakPolarHBondContact CB-OD1 3.11Å; D569-F573 WeakPolarHBondContact O-CA 3.45Å; D569-F573 PolarHBondContact O-N 3.31Å; D569-R574 HydrophobicContact CB-CG 3.98Å; D569-R574 PolarHBondContact N-O 3.24Å
570P79.1Confident83.6Confident88 Ų8847.3 Ų47.357%0.57123%0.23SC*.THydrogen-bonded Turntrans-69.7-16.4-176.227.2-35.4000113.8R306R306-P570 VanDerWaalsContact NH2-CD 3.34Å
571N77.8Confident83.3Confident119 Ų11951 Ų5164%0.63625%0.246SC*.THydrogen-bonded Turntrans-89.7-44.1-175.5-63.911.9000112.2R306 D569R306-N571 PolarHBondContact NH2-OD1 3.42Å; D569-N571 PolarHBondContact O-N 3.29Å; D569-N571 WeakPolarHBondContact OD1-CB 3.5Å; D569-N571 PolarHBondContact OD1-N 3.15Å
572N75.1Confident83.3Confident7 Ų748.9 Ų48.94%0.03724%0.241CC..THydrogen-bonded Turntrans-122.77-17462.912.2000114.1N310 L313 D569 R574N310-N572 PolarHBondContact OD1-ND2 3.1Å; L313-N572 WeakPolarHBondContact CD1-ND2 3.41Å; D569-N572 WeakPolarHBondContact CB-OD1 3.11Å; N572-R574 PolarHBondContact O-N 3.2Å; N572-R574 WeakPolarHBondContact OD1-CB 3.5Å; N572-R574 VanDerWaalsContact OD1-CG 3.23Å; N572-R574 WeakPolarHBondContact OD1-CG 3.49Å; N572-R574 PolarHBondContact OD1-N 3.41Å
573F78.5Confident83.6Confident100 Ų10054.3 Ų54.344%0.43927%0.268SS..  trans58.116.1177.4-57.2-85.5000114.6F331 D569F331-F573 WeakPolarHBondContact O-CB 3.37Å; D569-F573 WeakPolarHBondContact O-CA 3.45Å; D569-F573 PolarHBondContact O-N 3.31Å
574R82.7Confident83.6Confident0 Ų053.5 Ų53.50%026%0.263CS..  trans-69.1144.9-179.481-175.3174.790.53111.1D280 I309 N310 F331 D569 N572 R576D280-R574 IonicContact OD2-CZ 2.94Å; D280-R574 VanDerWaalsContact OD2-CZ 3.29Å; D280-R574 IonicContact OD2-NH1 3.55Å; D280-R574 PolarHBondContact OD2-NH1 2.9Å; D280-R574 IonicContact OD2-NH2 3.61Å; D280-R574 PolarHBondContact OD2-NH2 3.45Å; I309-R574 VanDerWaalsContact CG2-CZ 3.45Å; N310-R574 PolarHBondContact OD1-NE 3.27Å; F331-R574 HydrophobicContact CD2-CB 3.56Å; F331-R574 HydrophobicContact CE2-CB 3.89Å; F331-R574 HydrophobicContact CG-CB 4.32Å; D569-R574 HydrophobicContact CB-CG 3.98Å; D569-R574 PolarHBondContact N-O 3.24Å; N572-R574 PolarHBondContact O-N 3.2Å; N572-R574 WeakPolarHBondContact OD1-CB 3.5Å; N572-R574 VanDerWaalsContact OD1-CG 3.23Å; N572-R574 WeakPolarHBondContact OD1-CG 3.49Å; N572-R574 PolarHBondContact OD1-N 3.41Å; R574-R576 PolarHBondContact O-N 2.96Å
575P82.6Confident83.6Confident3 Ų352.4 Ų52.42%0.01926%0.258CS..EExtended strand (participates in β ladder)trans-67.8128.7171.128-33.1000110.1I523 F566 F596I523-P575 HydrophobicContact CG1-CG 3.86Å; F566-P575 HydrophobicContact CD1-CB 3.72Å; F566-P575 HydrophobicContact CE1-CB 4.02Å; P575-F596 HydrophobicContact CB-CE1 4.17Å
576R84.9Confident83.6Confident44 Ų4454.8 Ų54.817%0.16627%0.273CS..EExtended strand (participates in β ladder)trans-123.9127.5179179.8168.7-168.9-1602.8110.9D280 F566 R567 R574D280-R576 IonicContact OD1-CZ 3.39Å; D280-R576 VanDerWaalsContact OD1-CZ 3.32Å; D280-R576 IonicContact OD1-NE 3.73Å; D280-R576 PolarHBondContact OD1-NE 3.2Å; D280-R576 IonicContact OD1-NH2 3.41Å; D280-R576 PolarHBondContact OD1-NH2 3.1Å; D280-R576 WeakPolarHBondContact OD2-CD 3.4Å; D280-R576 WeakPolarHBondContact OD2-CG 3.48Å; D280-R576 IonicContact OD2-CZ 3.7Å; D280-R576 IonicContact OD2-NE 3.33Å; D280-R576 PolarHBondContact OD2-NE 3.44Å; D280-R576 VanDerWaalsContact OD2-NE 3.09Å; F566-R576 WeakPolarHBondContact CA-O 3.48Å; R567-R576 HydrophobicContact CG-CB 4.18Å; R567-R576 PolarHBondContact N-O 3.48Å; R567-R576 PolarHBondContact O-N 2.9Å; R574-R576 PolarHBondContact O-N 2.96Å
577I86.9Confident83.7Confident6 Ų660.3 Ų60.33%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-71.5135.2176.5-60.6-177.5000109.6L253 Y281 I564 F566L253-I577 HydrophobicContact CD2-CD1 3.9Å; Y281-I577 HydrophobicContact CD2-CG2 3.83Å; I564-I577 HydrophobicContact CG2-CG2 3.84Å; F566-I577 HydrophobicContact CD1-CG1 4.07Å; F566-I577 HydrophobicContact CD2-CG1 4.49Å; F566-I577 HydrophobicContact CE1-CB 4.46Å; F566-I577 HydrophobicContact CE1-CD1 4.19Å; F566-I577 HydrophobicContact CE1-CG1 3.33Å; F566-I577 HydrophobicContact CE2-CD1 4.35Å; F566-I577 HydrophobicContact CE2-CG1 3.8Å; F566-I577 HydrophobicContact CZ-CB 4.47Å; F566-I577 HydrophobicContact CZ-CD1 3.69Å; F566-I577 HydrophobicContact CZ-CG1 3.19Å
578N85.9Confident83.9Confident4 Ų458.3 Ų58.32%0.02129%0.293CS..PPolyproline II helixtrans-81.9143168.8-67.3-43.5000111.1T565 R567 D585 Q588T565-N578 PolarHBondContact O-N 3.09Å; T565-N578 WeakPolarHBondContact OG1-CB 3.17Å; T565-N578 PolarHBondContact OG1-ND2 3.11Å; R567-N578 WeakPolarHBondContact CD-OD1 3.37Å; R567-N578 PolarHBondContact NE-OD1 3.39Å; R567-N578 VanDerWaalsContact NE-OD1 3.12Å; N578-D585 HydrophobicContact CB-CB 4.04Å; N578-Q588 PolarHBondContact ND2-OE1 3.27Å
579K82.8Confident84.2Confident89 Ų8958.2 Ų58.239%0.38729%0.294SS..PPolyproline II helixtrans-63.9139.9169.5-68.1-171.6177.7-174.20108.7D284 N581 S582D284-K579 IonicContact OD1-NZ 2.75Å; D284-K579 PolarHBondContact OD1-NZ 3.35Å; K579-N581 PolarHBondContact O-N 3.36Å; K579-S582 VanDerWaalsContact O-CB 3.24Å; K579-S582 WeakPolarHBondContact O-CB 3.4Å; K579-S582 PolarHBondContact O-N 3.11Å; K579-S582 VanDerWaalsContact O-N 3.14Å; K579-S582 PolarHBondContact O-OG 3.4Å
580M79.8Confident84.6Confident107 Ų10767 Ų6753%0.52733%0.332SS..THydrogen-bonded Turntrans-56.9136-177.9-164.7174.3-170.900110.1S582M580-S582 PolarHBondContact O-N 3.31Å; M580-S582 VanDerWaalsContact O-N 3.15Å
581N83.2Confident85Confident122 Ų12266 Ų6665%0.65233%0.327SS*.THydrogen-bonded Turntrans62.115.1-179.7-54.7-31.6000115.1K579 D585K579-N581 PolarHBondContact O-N 3.36Å; N581-D585 PolarHBondContact N-OD2 2.79Å; N581-D585 VanDerWaalsContact N-OD2 3.09Å
582S86.3Confident85.4Confident36 Ų3662.1 Ų62.125%0.25232%0.316SS..  trans-68.1156.8168.466.80000111K579 M580 K584 D585 C586K579-S582 VanDerWaalsContact O-CB 3.24Å; K579-S582 WeakPolarHBondContact O-CB 3.4Å; K579-S582 PolarHBondContact O-N 3.11Å; K579-S582 VanDerWaalsContact O-N 3.14Å; K579-S582 PolarHBondContact O-OG 3.4Å; M580-S582 PolarHBondContact O-N 3.31Å; M580-S582 VanDerWaalsContact O-N 3.15Å; S582-K584 VanDerWaalsContact C-N 3.25Å; S582-K584 PolarHBondContact O-N 3.39Å; S582-D585 WeakPolarHBondContact O-CB 3.4Å; S582-D585 PolarHBondContact O-N 3.1Å; S582-D585 WeakPolarHBondContact OG-CB 2.97Å; S582-D585 PolarHBondContact OG-N 3.02Å; S582-C586 PolarHBondContact O-N 3.46Å; S582-C586 PolarHBondContact O-SG 3.31Å
583I88.9Confident86Confident132 Ų13264.4 Ų64.468%0.67733%0.328SS*.Hα-helixtrans-51.3-47.4-178.9-61.6169.6000111.1C586 E587I583-C586 PolarHBondContact O-N 3.1Å; I583-E587 WeakPolarHBondContact O-CG 3.2Å; I583-E587 PolarHBondContact O-N 2.86Å
584K86.3Confident86.4Confident109 Ų10961.7 Ų61.747%0.47432%0.315SS..Hα-helixtrans-67.6-36.1179-67-168.9177.2-163.50113.3S582 C586 E587 Q588S582-K584 VanDerWaalsContact C-N 3.25Å; S582-K584 PolarHBondContact O-N 3.39Å; K584-C586 VanDerWaalsContact C-N 3.32Å; K584-E587 PolarHBondContact O-N 3.49Å; K584-Q588 WeakPolarHBondContact O-CB 3.48Å; K584-Q588 WeakPolarHBondContact O-CG 3.41Å; K584-Q588 PolarHBondContact O-N 2.87Å
585D87.7Confident86.4Confident2 Ų262 Ų621%0.01132%0.316CS..Hα-helixtrans-61.1-44.7174.3-177.854.7000110.6T565 N578 N581 S582 Q588 K589T565-D585 WeakPolarHBondContact CB-OD1 3.46Å; T565-D585 VanDerWaalsContact CG2-OD1 3.31Å; T565-D585 WeakPolarHBondContact CG2-OD1 3.37Å; T565-D585 WeakPolarHBondContact OG1-CA 3.49Å; T565-D585 PolarHBondContact OG1-OD1 3.39Å; N578-D585 HydrophobicContact CB-CB 4.04Å; N581-D585 PolarHBondContact N-OD2 2.79Å; N581-D585 VanDerWaalsContact N-OD2 3.09Å; S582-D585 WeakPolarHBondContact O-CB 3.4Å; S582-D585 PolarHBondContact O-N 3.1Å; S582-D585 WeakPolarHBondContact OG-CB 2.97Å; S582-D585 PolarHBondContact OG-N 3.02Å; D585-Q588 PolarHBondContact O-N 3.29Å; D585-K589 WeakPolarHBondContact O-CB 3.43Å; D585-K589 VanDerWaalsContact O-CG 3.3Å; D585-K589 WeakPolarHBondContact O-CG 3.35Å; D585-K589 PolarHBondContact O-N 2.9Å; D585-K589 VanDerWaalsContact OD1-CE 3.27Å; D585-K589 WeakPolarHBondContact OD1-CE 3.26Å; D585-K589 IonicContact OD1-NZ 3.2Å; D585-K589 PolarHBondContact OD1-NZ 2.68Å; D585-K589 WeakPolarHBondContact OD2-CE 3.49Å; D585-K589 IonicContact OD2-NZ 3.35Å; D585-K589 PolarHBondContact OD2-NZ 3Å
586C88.8Confident86.1Confident49 Ų4962.8 Ų62.833%0.33132%0.319SS..Hα-helixtrans-65-41.6177.5-66.30000112.9S582 I583 K584 K590S582-C586 PolarHBondContact O-N 3.46Å; S582-C586 PolarHBondContact O-SG 3.31Å; I583-C586 PolarHBondContact O-N 3.1Å; K584-C586 VanDerWaalsContact C-N 3.32Å; C586-K590 WeakPolarHBondContact O-CB 3.38Å; C586-K590 VanDerWaalsContact O-CG 3.25Å; C586-K590 WeakPolarHBondContact O-CG 3.33Å; C586-K590 PolarHBondContact O-N 3.38Å
587E90Very high84.6Confident117 Ų11765.2 Ų65.255%0.54734%0.335SS..Hα-helixtrans-64.2-45.1176.8-73.6170.117700112I583 K584 K590 S591I583-E587 WeakPolarHBondContact O-CG 3.2Å; I583-E587 PolarHBondContact O-N 2.86Å; K584-E587 PolarHBondContact O-N 3.49Å; E587-K590 PolarHBondContact O-N 3.35Å; E587-S591 PolarHBondContact O-N 2.87Å; E587-S591 PolarHBondContact O-OG 3.36Å
588Q90.1Very high83Confident32 Ų3270 Ų7015%0.1536%0.361CS..Hα-helixtrans-65.3-43178.5-77.8-168.8-80.500112T565 F566 N578 K584 D585 K590 S591 G592 N593T565-Q588 HydrophobicContact CG2-CB 3.63Å; F566-Q588 PolarHBondContact O-NE2 3.2Å; F566-Q588 PolarHBondContact O-OE1 3.24Å; N578-Q588 PolarHBondContact ND2-OE1 3.27Å; K584-Q588 WeakPolarHBondContact O-CB 3.48Å; K584-Q588 WeakPolarHBondContact O-CG 3.41Å; K584-Q588 PolarHBondContact O-N 2.87Å; D585-Q588 PolarHBondContact O-N 3.29Å; Q588-K590 VanDerWaalsContact C-N 3.35Å; Q588-K590 PolarHBondContact O-N 3.37Å; Q588-S591 PolarHBondContact O-N 3.41Å; Q588-S591 PolarHBondContact O-OG 3.15Å; Q588-G592 PolarHBondContact O-N 3.35Å; Q588-G592 VanDerWaalsContact O-N 3.1Å; Q588-N593 WeakPolarHBondContact CB-O 3.46Å; Q588-N593 PolarHBondContact NE2-O 2.96Å; Q588-N593 PolarHBondContact O-N 3.07Å
589K89.6Confident80.7Confident53 Ų5380.9 Ų80.923%0.2342%0.419CS..Hα-helixtrans-59.5-43.4173.7-76.4172176170.60112.4E563 T565 D585 S591 G592 Y594E563-K589 WeakPolarHBondContact O-CE 3.33Å; E563-K589 PolarHBondContact O-NZ 3.07Å; T565-K589 HydrophobicContact CG2-CG 3.73Å; D585-K589 WeakPolarHBondContact O-CB 3.43Å; D585-K589 VanDerWaalsContact O-CG 3.3Å; D585-K589 WeakPolarHBondContact O-CG 3.35Å; D585-K589 PolarHBondContact O-N 2.9Å; D585-K589 VanDerWaalsContact OD1-CE 3.27Å; D585-K589 WeakPolarHBondContact OD1-CE 3.26Å; D585-K589 IonicContact OD1-NZ 3.2Å; D585-K589 PolarHBondContact OD1-NZ 2.68Å; D585-K589 WeakPolarHBondContact OD2-CE 3.49Å; D585-K589 IonicContact OD2-NZ 3.35Å; D585-K589 PolarHBondContact OD2-NZ 3Å; K589-S591 VanDerWaalsContact C-N 3.34Å; K589-S591 PolarHBondContact O-N 3.08Å; K589-G592 PolarHBondContact O-N 3.15Å; K589-Y594 HydrophobicContact CG-CE1 3.81Å
590K89.4Confident80.6Confident187 Ų18780.5 Ų80.581%0.81342%0.421SS*.Hα-helixtrans-64.8-35.7178-76.5175.8-179-177.40113.2C586 E587 Q588 G592C586-K590 WeakPolarHBondContact O-CB 3.38Å; C586-K590 VanDerWaalsContact O-CG 3.25Å; C586-K590 WeakPolarHBondContact O-CG 3.33Å; C586-K590 PolarHBondContact O-N 3.38Å; E587-K590 PolarHBondContact O-N 3.35Å; Q588-K590 VanDerWaalsContact C-N 3.35Å; Q588-K590 PolarHBondContact O-N 3.37Å; K590-G592 VanDerWaalsContact C-N 3.3Å
591S88.6Confident80.7Confident68 Ų6879.1 Ų79.148%0.47642%0.415SS..Hα-helixtrans-80-10.7177.160.70000113.8E587 Q588 K589 N593E587-S591 PolarHBondContact O-N 2.87Å; E587-S591 PolarHBondContact O-OG 3.36Å; Q588-S591 PolarHBondContact O-N 3.41Å; Q588-S591 PolarHBondContact O-OG 3.15Å; K589-S591 VanDerWaalsContact C-N 3.34Å; K589-S591 PolarHBondContact O-N 3.08Å; S591-N593 PolarHBondContact O-N 3.26Å
592G85.8Confident80.5Confident38 Ų3876.7 Ų76.739%0.39240%0.402SS..THydrogen-bonded Turntrans74.15.4-173.800000114.1Q588 K589 K590 Y594Q588-G592 PolarHBondContact O-N 3.35Å; Q588-G592 VanDerWaalsContact O-N 3.1Å; K589-G592 PolarHBondContact O-N 3.15Å; K590-G592 VanDerWaalsContact C-N 3.3Å; G592-Y594 WeakPolarHBondContact O-CD2 3.34Å; G592-Y594 PolarHBondContact O-N 3.1Å
593N86.8Confident80.2Confident54 Ų5479.1 Ų79.129%0.28941%0.411SS..  trans-98.485.3-179.5-67.2-35.5000110.2Q588 S591Q588-N593 WeakPolarHBondContact CB-O 3.46Å; Q588-N593 PolarHBondContact NE2-O 2.96Å; Q588-N593 PolarHBondContact O-N 3.07Å; S591-N593 PolarHBondContact O-N 3.26Å
594Y86.4Confident79.7Confident43 Ų4375.8 Ų75.817%0.16939%0.394CS..  trans-76.6-26.7178.3-68-97000112.7N556 L559 I564 T565 F566 K589 G592N556-Y594 WeakPolarHBondContact OD1-CA 3.46Å; N556-Y594 PolarHBondContact OD1-N 3.35Å; L559-Y594 HydrophobicContact CB-CG 4.33Å; I564-Y594 WeakPolarHBondContact O-CD1 3.45Å; T565-Y594 HydrophobicContact CG2-CD1 3.81Å; T565-Y594 HydrophobicContact CG2-CE1 4.32Å; T565-Y594 HydrophobicContact CG2-CG 4.48Å; F566-Y594 PolarHBondContact N-O 2.87Å; K589-Y594 HydrophobicContact CG-CE1 3.81Å; G592-Y594 WeakPolarHBondContact O-CD2 3.34Å; G592-Y594 PolarHBondContact O-N 3.1Å
595F83.2Confident79.2Confident6 Ų673.5 Ų73.53%0.02639%0.389CS..SBendtrans-106.7156.1172.9-160.4-118.7000110.1T526 L551 M555 N556 L559 F566T526-F595 HydrophobicContact CG2-CE2 3.81Å; T526-F595 HydrophobicContact CG2-CZ 3.68Å; L551-F595 HydrophobicContact CG-CE1 4.36Å; M555-F595 HydrophobicContact CB-CB 4.11Å; M555-F595 HydrophobicContact CB-CD1 4.06Å; M555-F595 HydrophobicContact CB-CD2 3.93Å; M555-F595 HydrophobicContact CB-CE1 4.39Å; M555-F595 HydrophobicContact CB-CE2 4.3Å; M555-F595 HydrophobicContact CB-CG 3.78Å; M555-F595 HydrophobicContact CB-CZ 4.49Å; M555-F595 HydrophobicContact CE-CD2 3.99Å; M555-F595 HydrophobicContact CE-CE2 3.72Å; M555-F595 HydrophobicContact CE-CZ 4.44Å; M555-F595 HydrophobicContact CG-CD2 4.38Å; M555-F595 HydrophobicContact CG-CE1 4.4Å; M555-F595 HydrophobicContact CG-CE2 4.25Å; M555-F595 HydrophobicContact CG-CZ 4.23Å; N556-F595 PolarHBondContact OD1-N 3.06Å; L559-F595 HydrophobicContact CD1-CB 4.14Å; L559-F595 HydrophobicContact CD1-CD2 3.92Å; F566-F595 HydrophobicContact CB-CD2 4.45Å
596F75.8Confident78.6Confident20 Ų2078.6 Ų78.69%0.08842%0.416CS..PPolyproline II helixtrans-67.9149.617946.3-103.8000111.4R568 P575R568-F596 HydrophobicContact CB-CD1 4.46Å; R568-F596 HydrophobicContact CG-CB 4.07Å; R568-F596 HydrophobicContact CG-CD1 3.4Å; R568-F596 VanDerWaalsContact CG-CD1 3.4Å; R568-F596 HydrophobicContact CG-CD2 3.86Å; R568-F596 HydrophobicContact CG-CE1 3.61Å; R568-F596 HydrophobicContact CG-CE2 4.15Å; R568-F596 HydrophobicContact CG-CG 3.48Å; R568-F596 VanDerWaalsContact CG-CG 3.48Å; R568-F596 HydrophobicContact CG-CZ 3.97Å; R568-F596 VanDerWaalsContact NE-CZ 3.32Å; P575-F596 HydrophobicContact CB-CE1 4.17Å
597L55.1Low77.8Confident96 Ų9680.9 Ų80.950%0.50342%0.422SS..PPolyproline II helixtrans-84.6143.7166.8-73.1150.6000108.3L552 D599L552-L597 HydrophobicContact CD1-CD2 4.08Å; L597-D599 PolarHBondContact O-N 2.97Å
598D52.4Low76.8Confident107 Ų10777.9 Ų77.957%0.57241%0.412SS*.PPolyproline II helixtrans-67.6118.1165.1-71.9-43.4000107.3R568R568-D598 IonicContact CZ-OD1 3.82Å; R568-D598 IonicContact NH1-OD1 2.81Å; R568-D598 PolarHBondContact NH1-OD1 3.4Å; R568-D598 IonicContact NH2-OD1 3.5Å; R568-D598 PolarHBondContact NH2-OD1 3.36Å
599D38.6Very low75.6Confident231 Ų23182.1 Ų82.1100%1.23544%0.436SS*.  trans-83.60161.6-76.4-31.1000109.1L597L597-D599 PolarHBondContact O-N 2.97Å

Retrieved 599 of 599 residues in 233.3 ms (Link to these results)

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