A0A087XKI0_POEFO Loading...

Calcyclin-binding protein

May be involved in calcium-dependent ubiquitination and subsequent proteasomal degradation of target proteins. Probably serves as a molecular bridge in ubiquitin E3 complexes. Participates in the ubiquitin-mediated degradation of beta-catenin (CTNNB1).

AlphaFold DB , UniProt , Accession A0A087XKI0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 227 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
1M58.8Low85.9Confident147 Ų14773.6 Ų73.672%0.72436%0.363SS*.  0133.80-83.2173.9169.700107.9Q6M1-Q6 HydrophobicContact CB-CG 3.94Å
2D82.6Confident86.7Confident86 Ų8671.7 Ų71.746%0.4637%0.368SS..  trans-62.7148.3174.6178.428000109.9K4 E5 Q6D2-K4 PolarHBondContact O-N 3.14Å; D2-K4 VanDerWaalsContact OD2-CB 3.29Å; D2-K4 WeakPolarHBondContact OD2-CB 3.47Å; D2-K4 WeakPolarHBondContact OD2-CG 3.46Å; D2-E5 HydrophobicContact CB-CB 4.13Å; D2-E5 PolarHBondContact N-OE2 2.92Å; D2-E5 WeakPolarHBondContact O-CB 3.33Å; D2-E5 PolarHBondContact O-N 3.08Å; D2-E5 VanDerWaalsContact O-N 3.1Å; D2-Q6 PolarHBondContact O-N 3.4Å
3I81.7Confident87.2Confident37 Ų3771.8 Ų71.819%0.1937%0.37CS..Hα-helixtrans-61.3-33.6178.9-79.7165.9000110.5Q6 I7 Q51I3-Q6 PolarHBondContact O-N 3.25Å; I3-I7 HydrophobicContact CG2-CD1 4Å; I3-I7 WeakPolarHBondContact O-CG1 3.5Å; I3-I7 PolarHBondContact O-N 3.02Å; I3-I7 VanDerWaalsContact O-N 3.08Å; I3-Q51 HydrophobicContact CG2-CB 3.81Å; I3-Q51 HydrophobicContact CG2-CG 4.29Å
4K85.1Confident87.7Confident128 Ų12868.6 Ų68.656%0.55735%0.353SS*.Hα-helixtrans-63.5-44.3175.1-50.9-170.9171.5168.80111.2D2 Q6 I7 T8D2-K4 PolarHBondContact O-N 3.14Å; D2-K4 VanDerWaalsContact OD2-CB 3.29Å; D2-K4 WeakPolarHBondContact OD2-CB 3.47Å; D2-K4 WeakPolarHBondContact OD2-CG 3.46Å; K4-Q6 PolarHBondContact O-N 3.2Å; K4-I7 PolarHBondContact O-N 2.99Å; K4-T8 PolarHBondContact O-N 2.72Å; K4-T8 PolarHBondContact O-OG1 2.77Å; K4-T8 VanDerWaalsContact O-OG1 3.09Å
5E87.1Confident88.1Confident94 Ų9473.7 Ų73.744%0.43938%0.375SS..Hα-helixtrans-62.8-40.8178.7-168.7179.9-162.100111.8D2 T8 Q9D2-E5 HydrophobicContact CB-CB 4.13Å; D2-E5 PolarHBondContact N-OE2 2.92Å; D2-E5 WeakPolarHBondContact O-CB 3.33Å; D2-E5 PolarHBondContact O-N 3.08Å; D2-E5 VanDerWaalsContact O-N 3.1Å; E5-T8 PolarHBondContact O-N 3.37Å; E5-Q9 WeakPolarHBondContact O-CG 3.33Å; E5-Q9 PolarHBondContact O-N 3.28Å
6Q86.8Confident88.6Confident52 Ų5276.6 Ų76.624%0.24339%0.387CS..Hα-helixtrans-64.2-40.7174.8-69.7178.4-1.500112.6M1 D2 I3 K4 T8 Q9 L10M1-Q6 HydrophobicContact CB-CG 3.94Å; D2-Q6 PolarHBondContact O-N 3.4Å; I3-Q6 PolarHBondContact O-N 3.25Å; K4-Q6 PolarHBondContact O-N 3.2Å; Q6-T8 VanDerWaalsContact C-N 3.35Å; Q6-Q9 PolarHBondContact O-N 2.87Å; Q6-L10 WeakPolarHBondContact O-CG 3.3Å; Q6-L10 PolarHBondContact O-N 3.31Å
7I90.9Very high88.9Confident7 Ų773.7 Ų73.74%0.03637%0.372CS..Hα-helixtrans-63.3-44.4176.2-69.9165.3000110.2I3 K4 Q9 L10 E11 K47 R48 Q51I3-I7 HydrophobicContact CG2-CD1 4Å; I3-I7 WeakPolarHBondContact O-CG1 3.5Å; I3-I7 PolarHBondContact O-N 3.02Å; I3-I7 VanDerWaalsContact O-N 3.08Å; K4-I7 PolarHBondContact O-N 2.99Å; I7-Q9 VanDerWaalsContact C-N 3.32Å; I7-Q9 PolarHBondContact O-N 2.97Å; I7-L10 PolarHBondContact O-N 3.1Å; I7-E11 HydrophobicContact CG2-CG 4.35Å; I7-E11 VanDerWaalsContact O-CG 3.32Å; I7-E11 WeakPolarHBondContact O-CG 3.28Å; I7-E11 PolarHBondContact O-N 3.14Å; I7-K47 HydrophobicContact CD1-CB 4.3Å; I7-K47 HydrophobicContact CG1-CB 3.72Å; I7-R48 HydrophobicContact CD1-CG 4.12Å; I7-R48 HydrophobicContact CG1-CG 4.47Å; I7-R48 HydrophobicContact CG2-CG 4.22Å; I7-Q51 HydrophobicContact CD1-CB 3.76Å; I7-Q51 VanDerWaalsContact CD1-CD 3.5Å; I7-Q51 HydrophobicContact CD1-CG 4.14Å
8T93.1Very high89Confident89 Ų8972.4 Ų72.455%0.54637%0.371SS..Hα-helixtrans-61.6-39.4178-56.80000112.2K4 E5 Q6 E11 A12K4-T8 PolarHBondContact O-N 2.72Å; K4-T8 PolarHBondContact O-OG1 2.77Å; K4-T8 VanDerWaalsContact O-OG1 3.09Å; E5-T8 PolarHBondContact O-N 3.37Å; Q6-T8 VanDerWaalsContact C-N 3.35Å; T8-E11 PolarHBondContact O-N 2.93Å; T8-A12 PolarHBondContact O-N 3.43Å; T8-A12 VanDerWaalsContact O-N 3.08Å
9Q92.8Very high89.3Confident85 Ų8571.7 Ų71.740%0.39737%0.374SS..Hα-helixtrans-63.7-47.9174.3-74.2178.8-12.500111.8E5 Q6 I7 E11 A12 D13E5-Q9 WeakPolarHBondContact O-CG 3.33Å; E5-Q9 PolarHBondContact O-N 3.28Å; Q6-Q9 PolarHBondContact O-N 2.87Å; I7-Q9 VanDerWaalsContact C-N 3.32Å; I7-Q9 PolarHBondContact O-N 2.97Å; Q9-E11 VanDerWaalsContact C-N 3.28Å; Q9-E11 PolarHBondContact O-N 3.34Å; Q9-A12 WeakPolarHBondContact O-CB 3.38Å; Q9-A12 PolarHBondContact O-N 3.45Å; Q9-A12 VanDerWaalsContact O-N 3.09Å; Q9-D13 VanDerWaalsContact O-CG 3.27Å; Q9-D13 PolarHBondContact O-N 2.87Å
10L93Very high89.5Confident16 Ų1672.1 Ų72.18%0.08438%0.376CS..Hα-helixtrans-63.8-31.5178.3-67.4167.9000112.8Q6 I7 L14 V40 E43 L44 K47Q6-L10 WeakPolarHBondContact O-CG 3.3Å; Q6-L10 PolarHBondContact O-N 3.31Å; I7-L10 PolarHBondContact O-N 3.1Å; L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 PolarHBondContact O-N 3.37Å; L10-V40 HydrophobicContact CB-CG1 4.22Å; L10-V40 HydrophobicContact CD2-CG1 3.99Å; L10-V40 WeakPolarHBondContact O-CG1 3.37Å; L10-E43 HydrophobicContact CD1-CB 4.48Å; L10-E43 HydrophobicContact CD1-CG 3.96Å; L10-E43 HydrophobicContact CD2-CG 4.41Å; L10-L44 HydrophobicContact CB-CB 4.3Å; L10-L44 HydrophobicContact CB-CD1 4.07Å; L10-L44 HydrophobicContact CB-CG 4.46Å; L10-L44 HydrophobicContact CD1-CB 4.46Å; L10-K47 HydrophobicContact CD1-CG 4.02Å
11E93.2Very high89.7Confident69 Ų6970.5 Ų70.532%0.32237%0.367SS..Hα-helixtrans-66.9-41.4172.6-74.8173.8173.800111.8I7 T8 Q9 L14 Q15 L44 R48I7-E11 HydrophobicContact CG2-CG 4.35Å; I7-E11 VanDerWaalsContact O-CG 3.32Å; I7-E11 WeakPolarHBondContact O-CG 3.28Å; I7-E11 PolarHBondContact O-N 3.14Å; T8-E11 PolarHBondContact O-N 2.93Å; Q9-E11 VanDerWaalsContact C-N 3.28Å; Q9-E11 PolarHBondContact O-N 3.34Å; E11-L14 PolarHBondContact O-N 2.84Å; E11-Q15 PolarHBondContact O-N 3.01Å; E11-L44 HydrophobicContact CB-CD1 4.45Å; E11-L44 HydrophobicContact CG-CD1 3.59Å; E11-R48 IonicContact OE1-CZ 2.84Å; E11-R48 IonicContact OE1-NE 2.64Å; E11-R48 IonicContact OE1-NH2 2.65Å; E11-R48 PolarHBondContact OE1-NH2 3.44Å
12A95.4Very high91.3Very high50 Ų5071.6 Ų71.641%0.41337%0.371SS..Hα-helixtrans-64.9-44.4175.200000111.3T8 Q9 L14 Q15 E16T8-A12 PolarHBondContact O-N 3.43Å; T8-A12 VanDerWaalsContact O-N 3.08Å; Q9-A12 WeakPolarHBondContact O-CB 3.38Å; Q9-A12 PolarHBondContact O-N 3.45Å; Q9-A12 VanDerWaalsContact O-N 3.09Å; A12-L14 VanDerWaalsContact C-N 3.29Å; A12-L14 PolarHBondContact O-N 3.35Å; A12-Q15 PolarHBondContact O-N 3.16Å; A12-Q15 VanDerWaalsContact O-N 3.16Å; A12-E16 PolarHBondContact O-N 3.38Å
13D93.1Very high91.8Very high74 Ų7475.6 Ų75.640%0.39638%0.384SS..Hα-helixtrans-59.5-41176.1-65.1-16.2000111Q9 E16 L17 V40Q9-D13 VanDerWaalsContact O-CG 3.27Å; Q9-D13 PolarHBondContact O-N 2.87Å; D13-E16 PolarHBondContact O-N 3.35Å; D13-L17 WeakPolarHBondContact O-CB 3.32Å; D13-L17 VanDerWaalsContact O-CG 3.26Å; D13-L17 WeakPolarHBondContact O-CG 3.28Å; D13-L17 PolarHBondContact O-N 3.46Å; D13-V40 HydrophobicContact CB-CG1 4.39Å
14L93.8Very high92.3Very high27 Ų2774.7 Ų74.714%0.14138%0.381CS..Hα-helixtrans-64.3-40.7175.5-101.5166.7000113.3L10 E11 A12 S18 Q37 V40 E41 L44L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 PolarHBondContact O-N 3.37Å; E11-L14 PolarHBondContact O-N 2.84Å; A12-L14 VanDerWaalsContact C-N 3.29Å; A12-L14 PolarHBondContact O-N 3.35Å; L14-S18 WeakPolarHBondContact O-CB 3.27Å; L14-S18 PolarHBondContact O-N 2.86Å; L14-S18 PolarHBondContact O-OG 3.45Å; L14-Q37 HydrophobicContact CD2-CG 3.47Å; L14-Q37 VanDerWaalsContact CD2-CG 3.47Å; L14-V40 HydrophobicContact CD1-CG1 4.04Å; L14-V40 HydrophobicContact CG-CB 4.21Å; L14-V40 HydrophobicContact CG-CG1 3.7Å; L14-E41 HydrophobicContact CD1-CG 3.91Å; L14-E41 HydrophobicContact CD2-CG 3.83Å; L14-E41 HydrophobicContact CG-CG 4.47Å; L14-L44 HydrophobicContact CD1-CD1 3.79Å
15Q93.9Very high92.7Very high144 Ų14477.2 Ų77.267%0.67340%0.395SS*.Hα-helixtrans-64.5-41.4175-86-169-62.300111.7E11 A12 S18 S19E11-Q15 PolarHBondContact O-N 3.01Å; A12-Q15 PolarHBondContact O-N 3.16Å; A12-Q15 VanDerWaalsContact O-N 3.16Å; Q15-S18 PolarHBondContact O-N 3.44Å; Q15-S19 WeakPolarHBondContact O-CB 3.38Å; Q15-S19 PolarHBondContact O-N 3.18Å; Q15-S19 PolarHBondContact O-OG 2.85Å
16E96.1Very high93.1Very high121 Ų12181.9 Ų81.957%0.56541%0.408SS*.Hα-helixtrans-65.7-47.7177.4-173.4171.1-167.600111.3A12 D13 S18 S19 L20A12-E16 PolarHBondContact O-N 3.38Å; D13-E16 PolarHBondContact O-N 3.35Å; E16-S18 VanDerWaalsContact C-N 3.27Å; E16-S18 PolarHBondContact O-N 3.44Å; E16-S19 WeakPolarHBondContact O-CB 3.49Å; E16-S19 PolarHBondContact O-N 3Å; E16-S19 VanDerWaalsContact O-N 3.1Å; E16-L20 HydrophobicContact CG-CD1 4.11Å; E16-L20 HydrophobicContact CG-CG 4.39Å; E16-L20 WeakPolarHBondContact O-CG 3.37Å; E16-L20 PolarHBondContact O-N 3.46Å
17L93.1Very high93.4Very high27 Ų2786.5 Ų86.514%0.14143%0.428CS..Hα-helixtrans-56.9-41.3175.8-74.8171.7000111.8D13 L20 L21 L33 E36 V40D13-L17 WeakPolarHBondContact O-CB 3.32Å; D13-L17 VanDerWaalsContact O-CG 3.26Å; D13-L17 WeakPolarHBondContact O-CG 3.28Å; D13-L17 PolarHBondContact O-N 3.46Å; L17-L20 PolarHBondContact O-N 2.85Å; L17-L21 VanDerWaalsContact O-CB 3.3Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 PolarHBondContact O-N 3.31Å; L17-L33 HydrophobicContact CD2-CD2 3.84Å; L17-E36 HydrophobicContact CD1-CB 4.34Å; L17-E36 HydrophobicContact CD2-CB 4.36Å; L17-V40 HydrophobicContact CD1-CB 4.46Å; L17-V40 HydrophobicContact CD1-CG2 3.89Å
18S92.1Very high93.5Very high51 Ų5196.4 Ų96.436%0.35746%0.464SS..Hα-helixtrans-64.8-42177-56.50000111.9L14 Q15 E16 L21 E22 Q37L14-S18 WeakPolarHBondContact O-CB 3.27Å; L14-S18 PolarHBondContact O-N 2.86Å; L14-S18 PolarHBondContact O-OG 3.45Å; Q15-S18 PolarHBondContact O-N 3.44Å; E16-S18 VanDerWaalsContact C-N 3.27Å; E16-S18 PolarHBondContact O-N 3.44Å; S18-L21 PolarHBondContact O-N 3.26Å; S18-E22 PolarHBondContact O-N 3.05Å; S18-E22 VanDerWaalsContact O-N 3.14Å; S18-Q37 PolarHBondContact OG-NE2 3.33Å
19S94.6Very high93.5Very high59 Ų5995.7 Ų95.741%0.41346%0.46SS..Hα-helixtrans-67.7-37178.5-57.60000112.5Q15 E16 K23Q15-S19 WeakPolarHBondContact O-CB 3.38Å; Q15-S19 PolarHBondContact O-N 3.18Å; Q15-S19 PolarHBondContact O-OG 2.85Å; E16-S19 WeakPolarHBondContact O-CB 3.49Å; E16-S19 PolarHBondContact O-N 3Å; E16-S19 VanDerWaalsContact O-N 3.1Å; S19-K23 WeakPolarHBondContact O-CG 3.26Å; S19-K23 PolarHBondContact O-N 3.44Å
20L93.5Very high93.5Very high79 Ų7994.1 Ų94.141%0.41445%0.453SS..Hα-helixtrans-69.2-37.2175.3-71.4174.3000111.5E16 L17 K23 S24 L33E16-L20 HydrophobicContact CG-CD1 4.11Å; E16-L20 HydrophobicContact CG-CG 4.39Å; E16-L20 WeakPolarHBondContact O-CG 3.37Å; E16-L20 PolarHBondContact O-N 3.46Å; L17-L20 PolarHBondContact O-N 2.85Å; L20-K23 PolarHBondContact O-N 3.03Å; L20-S24 WeakPolarHBondContact O-CB 3.41Å; L20-S24 PolarHBondContact O-N 3.03Å; L20-S24 VanDerWaalsContact O-N 3.08Å; L20-S24 PolarHBondContact O-OG 2.89Å; L20-L33 HydrophobicContact CB-CD1 4.08Å; L20-L33 HydrophobicContact CB-CD2 4.34Å
21L92.1Very high93.5Very high39 Ų3997 Ų9720%0.20447%0.468CS..Hα-helixtrans-64.6-42178.5-162.2155000111.1L17 S18 K23 S24 L33 Q34L17-L21 VanDerWaalsContact O-CB 3.3Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 PolarHBondContact O-N 3.31Å; S18-L21 PolarHBondContact O-N 3.26Å; L21-K23 VanDerWaalsContact C-N 3.29Å; L21-K23 PolarHBondContact O-N 3.27Å; L21-S24 WeakPolarHBondContact CA-OG 3.49Å; L21-S24 PolarHBondContact O-N 3.32Å; L21-S24 VanDerWaalsContact O-N 3.14Å; L21-S24 PolarHBondContact O-OG 3.07Å; L21-L33 HydrophobicContact CB-CD1 4.42Å; L21-L33 HydrophobicContact CD1-CB 4.27Å; L21-Q34 HydrophobicContact CD1-CG 3.49Å; L21-Q34 VanDerWaalsContact CD1-CG 3.49Å
22E93.4Very high93.6Very high170 Ų17097.7 Ų97.779%0.79448%0.477SS*.Hα-helixtrans-62-34.4175.7-168.3174-163.400113S18 S24S18-E22 PolarHBondContact O-N 3.05Å; S18-E22 VanDerWaalsContact O-N 3.14Å; E22-S24 VanDerWaalsContact C-N 3.35Å
23K93.4Very high93.4Very high170 Ų17096.6 Ų96.674%0.73946%0.464SS*.Hα-helixtrans-84.1-9.1177.7-67.1176.1-176174.20113.8S19 L20 L21S19-K23 WeakPolarHBondContact O-CG 3.26Å; S19-K23 PolarHBondContact O-N 3.44Å; L20-K23 PolarHBondContact O-N 3.03Å; L21-K23 VanDerWaalsContact C-N 3.29Å; L21-K23 PolarHBondContact O-N 3.27Å
24S92.3Very high93.4Very high18 Ų1896.9 Ų96.913%0.12646%0.463CS..  trans-92.1125.2-174.266.80000111.4L20 L21 E22 Q30L20-S24 WeakPolarHBondContact O-CB 3.41Å; L20-S24 PolarHBondContact O-N 3.03Å; L20-S24 VanDerWaalsContact O-N 3.08Å; L20-S24 PolarHBondContact O-OG 2.89Å; L21-S24 WeakPolarHBondContact CA-OG 3.49Å; L21-S24 PolarHBondContact O-N 3.32Å; L21-S24 VanDerWaalsContact O-N 3.14Å; L21-S24 PolarHBondContact O-OG 3.07Å; E22-S24 VanDerWaalsContact C-N 3.35Å; S24-Q30 PolarHBondContact O-NE2 3.09Å; S24-Q30 VanDerWaalsContact OG-CG 3.28Å; S24-Q30 WeakPolarHBondContact OG-CG 3.25Å
25E92.3Very high93.5Very high180 Ų180100.7 Ų100.784%0.84148%0.48SS*.  trans-100.6-19.5-178.1-62.1-179.7173.700113.1
26R95.8Very high93.5Very high193 Ų19397.4 Ų97.473%0.72846%0.464SS*.  trans-91.9123.5-173.8-59.1-65.5-72.9-177.3-4.4110.2R28 V29 Q30R26-R28 VanDerWaalsContact C-N 3.32Å; R26-R28 PolarHBondContact O-N 2.72Å; R26-V29 HydrophobicContact CB-CB 4.38Å; R26-V29 HydrophobicContact CB-CG2 4.05Å; R26-V29 WeakPolarHBondContact O-CA 3.38Å; R26-V29 WeakPolarHBondContact O-CB 3.37Å; R26-V29 PolarHBondContact O-N 3Å; R26-Q30 PolarHBondContact O-N 3.03Å
27K93.2Very high93.3Very high149 Ų14993.5 Ų93.565%0.64845%0.446SS*.Hα-helixtrans-47.2-48.7179.6-168.8113.5-175.31350113.8V29 Q30 D31K27-V29 VanDerWaalsContact C-N 3.25Å; K27-V29 PolarHBondContact O-N 3.36Å; K27-Q30 WeakPolarHBondContact O-CB 3.46Å; K27-Q30 PolarHBondContact O-N 3.39Å; K27-D31 PolarHBondContact O-N 3.02Å
28R93.8Very high93.3Very high214 Ų21498.3 Ų98.381%0.80847%0.466SS*.Hα-helixtrans-60.3-34.1179.6-167-179.7-168.7-169.63.7113.3R26 V32R26-R28 VanDerWaalsContact C-N 3.32Å; R26-R28 PolarHBondContact O-N 2.72Å; R28-V32 WeakPolarHBondContact O-CG2 3.5Å; R28-V32 PolarHBondContact O-N 3.38Å
29V92.8Very high93.3Very high74 Ų74100.3 Ų100.345%0.44847%0.468SS..Hα-helixtrans-76.4-42.6178.3179.50000109.8R26 K27 D31 V32 L33R26-V29 HydrophobicContact CB-CB 4.38Å; R26-V29 HydrophobicContact CB-CG2 4.05Å; R26-V29 WeakPolarHBondContact O-CA 3.38Å; R26-V29 WeakPolarHBondContact O-CB 3.37Å; R26-V29 PolarHBondContact O-N 3Å; K27-V29 VanDerWaalsContact C-N 3.25Å; K27-V29 PolarHBondContact O-N 3.36Å; V29-D31 VanDerWaalsContact C-N 3.34Å; V29-D31 PolarHBondContact O-N 3.45Å; V29-V32 PolarHBondContact O-N 3.08Å; V29-L33 HydrophobicContact CG1-CD1 3.98Å; V29-L33 HydrophobicContact CG1-CG 4.44Å; V29-L33 WeakPolarHBondContact O-CG 3.47Å; V29-L33 PolarHBondContact O-N 3.35Å
30Q92.4Very high93.3Very high53 Ų5398.3 Ų98.325%0.24845%0.453CS..Hα-helixtrans-57.9-45.1173.7-69.1172.6-1100111.8S24 R26 K27 V32 L33 Q34S24-Q30 PolarHBondContact O-NE2 3.09Å; S24-Q30 VanDerWaalsContact OG-CG 3.28Å; S24-Q30 WeakPolarHBondContact OG-CG 3.25Å; R26-Q30 PolarHBondContact O-N 3.03Å; K27-Q30 WeakPolarHBondContact O-CB 3.46Å; K27-Q30 PolarHBondContact O-N 3.39Å; Q30-V32 PolarHBondContact O-N 3.09Å; Q30-L33 PolarHBondContact O-N 3.06Å; Q30-Q34 WeakPolarHBondContact O-CB 3.46Å; Q30-Q34 VanDerWaalsContact O-CG 3.27Å; Q30-Q34 WeakPolarHBondContact O-CG 3.38Å; Q30-Q34 PolarHBondContact O-N 2.89Å
31D93.9Very high93.1Very high77 Ų7799.2 Ų99.241%0.41246%0.455SS..Hα-helixtrans-62.3-42-179.3-64.6-26.9000111.5K27 V29 Q34 E35K27-D31 PolarHBondContact O-N 3.02Å; V29-D31 VanDerWaalsContact C-N 3.34Å; V29-D31 PolarHBondContact O-N 3.45Å; D31-Q34 PolarHBondContact O-N 2.91Å; D31-E35 PolarHBondContact O-N 3.42Å
32V94.8Very high93Very high83 Ų83104.8 Ų104.850%0.50348%0.478SS..Hα-helixtrans-65.1-46.4176.2171.90000111.1R28 V29 Q30 Q34 E35 E36R28-V32 WeakPolarHBondContact O-CG2 3.5Å; R28-V32 PolarHBondContact O-N 3.38Å; V29-V32 PolarHBondContact O-N 3.08Å; Q30-V32 PolarHBondContact O-N 3.09Å; V32-Q34 VanDerWaalsContact C-N 3.33Å; V32-Q34 PolarHBondContact O-N 3.45Å; V32-E35 PolarHBondContact O-N 2.85Å; V32-E36 PolarHBondContact O-N 2.74Å
33L91.9Very high92.9Very high26 Ų26101.5 Ų101.514%0.13646%0.463CS..Hα-helixtrans-63-39.4178.2-69.7172000111.6L17 L20 L21 V29 Q30 E36 Q37L17-L33 HydrophobicContact CD2-CD2 3.84Å; L20-L33 HydrophobicContact CB-CD1 4.08Å; L20-L33 HydrophobicContact CB-CD2 4.34Å; L21-L33 HydrophobicContact CB-CD1 4.42Å; L21-L33 HydrophobicContact CD1-CB 4.27Å; V29-L33 HydrophobicContact CG1-CD1 3.98Å; V29-L33 HydrophobicContact CG1-CG 4.44Å; V29-L33 WeakPolarHBondContact O-CG 3.47Å; V29-L33 PolarHBondContact O-N 3.35Å; Q30-L33 PolarHBondContact O-N 3.06Å; L33-E36 PolarHBondContact O-N 3.31Å; L33-Q37 VanDerWaalsContact O-CB 3.28Å; L33-Q37 WeakPolarHBondContact O-CB 3.48Å; L33-Q37 PolarHBondContact O-N 3.07Å
34Q93.4Very high92.8Very high80 Ų8094 Ų9437%0.37443%0.431SS..Hα-helixtrans-65.8-37.4175.4-76.9-178.3-14.500113L21 Q30 D31 V32 K38L21-Q34 HydrophobicContact CD1-CG 3.49Å; L21-Q34 VanDerWaalsContact CD1-CG 3.49Å; Q30-Q34 WeakPolarHBondContact O-CB 3.46Å; Q30-Q34 VanDerWaalsContact O-CG 3.27Å; Q30-Q34 WeakPolarHBondContact O-CG 3.38Å; Q30-Q34 PolarHBondContact O-N 2.89Å; D31-Q34 PolarHBondContact O-N 2.91Å; V32-Q34 VanDerWaalsContact C-N 3.33Å; V32-Q34 PolarHBondContact O-N 3.45Å; Q34-K38 WeakPolarHBondContact O-CG 3.38Å; Q34-K38 PolarHBondContact O-N 3.38Å; Q34-K38 VanDerWaalsContact O-N 3.07Å
35E94.1Very high92.6Very high108 Ų10895.9 Ų95.951%0.50545%0.447SS..Hα-helixtrans-66.1-45.3176.5-165.8-171.1145.300111D31 V32 K38 K39D31-E35 PolarHBondContact O-N 3.42Å; V32-E35 PolarHBondContact O-N 2.85Å; E35-K38 PolarHBondContact O-N 2.91Å; E35-K39 WeakPolarHBondContact O-CG 3.33Å; E35-K39 PolarHBondContact O-N 3.42Å; E35-K39 VanDerWaalsContact OE1-CE 3.25Å; E35-K39 WeakPolarHBondContact OE1-CE 3.44Å; E35-K39 IonicContact OE1-NZ 2.85Å; E35-K39 PolarHBondContact OE1-NZ 3.28Å
36E94Very high92.3Very high74 Ų7490.8 Ų90.835%0.34643%0.429SS..Hα-helixtrans-65.2-39.9175.6-67.9-50.3128.100111.7L17 V32 L33 K38 K39 V40L17-E36 HydrophobicContact CD1-CB 4.34Å; L17-E36 HydrophobicContact CD2-CB 4.36Å; V32-E36 PolarHBondContact O-N 2.74Å; L33-E36 PolarHBondContact O-N 3.31Å; E36-K38 VanDerWaalsContact C-N 3.31Å; E36-K38 PolarHBondContact O-N 3.05Å; E36-K39 WeakPolarHBondContact O-CB 3.2Å; E36-K39 PolarHBondContact O-N 2.82Å; E36-K39 WeakPolarHBondContact OE1-CD 3.32Å; E36-K39 IonicContact OE1-NZ 2.74Å; E36-K39 PolarHBondContact OE1-NZ 3.01Å; E36-V40 WeakPolarHBondContact O-CG2 3.29Å; E36-V40 PolarHBondContact O-N 3.08Å
37Q92.4Very high91.9Very high39 Ų3983.7 Ų83.718%0.18240%0.403CS..Hα-helixtrans-55.4-46.7173.8-160.8-179.727.600111.3L14 S18 L33 K39 V40 E41L14-Q37 HydrophobicContact CD2-CG 3.47Å; L14-Q37 VanDerWaalsContact CD2-CG 3.47Å; S18-Q37 PolarHBondContact OG-NE2 3.33Å; L33-Q37 VanDerWaalsContact O-CB 3.28Å; L33-Q37 WeakPolarHBondContact O-CB 3.48Å; L33-Q37 PolarHBondContact O-N 3.07Å; Q37-K39 VanDerWaalsContact C-N 3.33Å; Q37-K39 PolarHBondContact O-N 3.1Å; Q37-V40 PolarHBondContact O-N 3.26Å; Q37-E41 WeakPolarHBondContact O-CB 3.31Å; Q37-E41 VanDerWaalsContact O-CG 3.31Å; Q37-E41 WeakPolarHBondContact O-CG 3.32Å; Q37-E41 PolarHBondContact O-N 3.48Å
38K92.8Very high91.6Very high129 Ų12982 Ų8256%0.56139%0.392SS*.Hα-helixtrans-65.2-33176.4-73.5175.1-175.8173.30113.4Q34 E35 E36 K42Q34-K38 WeakPolarHBondContact O-CG 3.38Å; Q34-K38 PolarHBondContact O-N 3.38Å; Q34-K38 VanDerWaalsContact O-N 3.07Å; E35-K38 PolarHBondContact O-N 2.91Å; E36-K38 VanDerWaalsContact C-N 3.31Å; E36-K38 PolarHBondContact O-N 3.05Å; K38-K42 WeakPolarHBondContact O-CG 3.34Å; K38-K42 PolarHBondContact O-N 2.65Å
39K93.6Very high91Very high92 Ų9277.6 Ų77.640%0.438%0.381SS..Hα-helixtrans-68.5-48.6175.9-74173.3-170.9159.40110.4E35 E36 Q37 E41 K42 E43E35-K39 WeakPolarHBondContact O-CG 3.33Å; E35-K39 PolarHBondContact O-N 3.42Å; E35-K39 VanDerWaalsContact OE1-CE 3.25Å; E35-K39 WeakPolarHBondContact OE1-CE 3.44Å; E35-K39 IonicContact OE1-NZ 2.85Å; E35-K39 PolarHBondContact OE1-NZ 3.28Å; E36-K39 WeakPolarHBondContact O-CB 3.2Å; E36-K39 PolarHBondContact O-N 2.82Å; E36-K39 WeakPolarHBondContact OE1-CD 3.32Å; E36-K39 IonicContact OE1-NZ 2.74Å; E36-K39 PolarHBondContact OE1-NZ 3.01Å; Q37-K39 VanDerWaalsContact C-N 3.33Å; Q37-K39 PolarHBondContact O-N 3.1Å; K39-E41 VanDerWaalsContact C-N 3.34Å; K39-E41 PolarHBondContact O-N 3.02Å; K39-K42 PolarHBondContact O-N 3.28Å; K39-E43 PolarHBondContact O-N 2.89Å
40V92.8Very high90.3Very high17 Ų1777.8 Ų77.810%0.10338%0.377CS..Hα-helixtrans-62.6-40.8177.9-1790000110.9L10 D13 L14 L17 E36 Q37 K42 E43 L44L10-V40 HydrophobicContact CB-CG1 4.22Å; L10-V40 HydrophobicContact CD2-CG1 3.99Å; L10-V40 WeakPolarHBondContact O-CG1 3.37Å; D13-V40 HydrophobicContact CB-CG1 4.39Å; L14-V40 HydrophobicContact CD1-CG1 4.04Å; L14-V40 HydrophobicContact CG-CB 4.21Å; L14-V40 HydrophobicContact CG-CG1 3.7Å; L17-V40 HydrophobicContact CD1-CB 4.46Å; L17-V40 HydrophobicContact CD1-CG2 3.89Å; E36-V40 WeakPolarHBondContact O-CG2 3.29Å; E36-V40 PolarHBondContact O-N 3.08Å; Q37-V40 PolarHBondContact O-N 3.26Å; V40-K42 PolarHBondContact O-N 2.96Å; V40-E43 PolarHBondContact O-N 3.33Å; V40-L44 WeakPolarHBondContact O-CB 3.33Å; V40-L44 PolarHBondContact O-N 3.45Å
41E89.9Confident89.9Confident98 Ų9878 Ų7846%0.45838%0.378SS..Hα-helixtrans-58.7-43.9174-78.5175.8172.500112.9L14 Q37 K39 A45L14-E41 HydrophobicContact CD1-CG 3.91Å; L14-E41 HydrophobicContact CD2-CG 3.83Å; L14-E41 HydrophobicContact CG-CG 4.47Å; Q37-E41 WeakPolarHBondContact O-CB 3.31Å; Q37-E41 VanDerWaalsContact O-CG 3.31Å; Q37-E41 WeakPolarHBondContact O-CG 3.32Å; Q37-E41 PolarHBondContact O-N 3.48Å; K39-E41 VanDerWaalsContact C-N 3.34Å; K39-E41 PolarHBondContact O-N 3.02Å; E41-A45 WeakPolarHBondContact O-CB 3.35Å; E41-A45 PolarHBondContact O-N 2.85Å
42K90.4Very high89.1Confident157 Ų15779.6 Ų79.668%0.68339%0.386SS*.Hα-helixtrans-66-42.1177.1-76.9177.2-179.3-1800111.9K38 K39 V40 A45 T46K38-K42 WeakPolarHBondContact O-CG 3.34Å; K38-K42 PolarHBondContact O-N 2.65Å; K39-K42 PolarHBondContact O-N 3.28Å; V40-K42 PolarHBondContact O-N 2.96Å; K42-A45 PolarHBondContact O-N 3.2Å; K42-T46 PolarHBondContact O-N 3.2Å; K42-T46 VanDerWaalsContact O-N 3.08Å; K42-T46 PolarHBondContact O-OG1 3.42Å
43E90.2Very high88Confident101 Ų10179.9 Ų79.947%0.47238%0.382SS..Hα-helixtrans-64.6-44.7177.7-170.1168.7176.900111.1L10 K39 V40 A45 T46 K47L10-E43 HydrophobicContact CD1-CB 4.48Å; L10-E43 HydrophobicContact CD1-CG 3.96Å; L10-E43 HydrophobicContact CD2-CG 4.41Å; K39-E43 PolarHBondContact O-N 2.89Å; V40-E43 PolarHBondContact O-N 3.33Å; E43-A45 PolarHBondContact O-N 3.17Å; E43-T46 WeakPolarHBondContact O-CB 3.41Å; E43-T46 PolarHBondContact O-N 3.47Å; E43-T46 VanDerWaalsContact O-N 3.17Å; E43-K47 WeakPolarHBondContact O-CG 3.41Å; E43-K47 PolarHBondContact O-N 2.86Å
44L91.7Very high87Confident13 Ų1382.2 Ų82.27%0.06839%0.392CS..Hα-helixtrans-63-41.4176.8-173.5154.9000112L10 E11 L14 V40 T46 K47 R48L10-L44 HydrophobicContact CB-CB 4.3Å; L10-L44 HydrophobicContact CB-CD1 4.07Å; L10-L44 HydrophobicContact CB-CG 4.46Å; L10-L44 HydrophobicContact CD1-CB 4.46Å; E11-L44 HydrophobicContact CB-CD1 4.45Å; E11-L44 HydrophobicContact CG-CD1 3.59Å; L14-L44 HydrophobicContact CD1-CD1 3.79Å; V40-L44 WeakPolarHBondContact O-CB 3.33Å; V40-L44 PolarHBondContact O-N 3.45Å; L44-T46 VanDerWaalsContact C-N 3.31Å; L44-T46 PolarHBondContact O-N 3.08Å; L44-K47 PolarHBondContact O-N 3.48Å; L44-R48 HydrophobicContact CD2-CG 4.1Å; L44-R48 WeakPolarHBondContact O-CB 3.48Å; L44-R48 WeakPolarHBondContact O-CG 3.43Å; L44-R48 PolarHBondContact O-N 3.3Å
45A87.9Confident86Confident57 Ų5780.7 Ų80.747%0.47139%0.393SS..Hα-helixtrans-60.4-41.9174.100000111.8E41 K42 E43 Q49E41-A45 WeakPolarHBondContact O-CB 3.35Å; E41-A45 PolarHBondContact O-N 2.85Å; K42-A45 PolarHBondContact O-N 3.2Å; E43-A45 PolarHBondContact O-N 3.17Å; A45-Q49 WeakPolarHBondContact O-CB 3.44Å; A45-Q49 PolarHBondContact O-N 3.37Å
46T87.3Confident84.5Confident73 Ų7383.1 Ų83.145%0.44840%0.402SS..Hα-helixtrans-64.9-45.1177.2-54.30000111.1K42 E43 L44 Q49 Q50K42-T46 PolarHBondContact O-N 3.2Å; K42-T46 VanDerWaalsContact O-N 3.08Å; K42-T46 PolarHBondContact O-OG1 3.42Å; E43-T46 WeakPolarHBondContact O-CB 3.41Å; E43-T46 PolarHBondContact O-N 3.47Å; E43-T46 VanDerWaalsContact O-N 3.17Å; L44-T46 VanDerWaalsContact C-N 3.31Å; L44-T46 PolarHBondContact O-N 3.08Å; T46-Q49 PolarHBondContact O-N 3.47Å; T46-Q50 WeakPolarHBondContact O-CG 3.37Å; T46-Q50 PolarHBondContact O-N 2.92Å
47K86.8Confident82.9Confident43 Ų4387.2 Ų87.219%0.18741%0.414CS..Hα-helixtrans-66.9-40.8179-69.1-72.9177.71770112.6I7 L10 E43 L44 Q49 Q50 Q51I7-K47 HydrophobicContact CD1-CB 4.3Å; I7-K47 HydrophobicContact CG1-CB 3.72Å; L10-K47 HydrophobicContact CD1-CG 4.02Å; E43-K47 WeakPolarHBondContact O-CG 3.41Å; E43-K47 PolarHBondContact O-N 2.86Å; L44-K47 PolarHBondContact O-N 3.48Å; K47-Q49 VanDerWaalsContact C-N 3.34Å; K47-Q49 PolarHBondContact O-N 2.89Å; K47-Q50 WeakPolarHBondContact O-CB 3.46Å; K47-Q50 PolarHBondContact O-N 3.25Å; K47-Q51 PolarHBondContact O-N 3.41Å
48R86.5Confident81.4Confident114 Ų11491.6 Ų91.643%0.4344%0.435SS..Hα-helixtrans-63.1-38.5172.8-77.9-174.2176.3168.1-2.4112I7 E11 L44 Q51 L52I7-R48 HydrophobicContact CD1-CG 4.12Å; I7-R48 HydrophobicContact CG1-CG 4.47Å; I7-R48 HydrophobicContact CG2-CG 4.22Å; E11-R48 IonicContact OE1-CZ 2.84Å; E11-R48 IonicContact OE1-NE 2.64Å; E11-R48 IonicContact OE1-NH2 2.65Å; E11-R48 PolarHBondContact OE1-NH2 3.44Å; L44-R48 HydrophobicContact CD2-CG 4.1Å; L44-R48 WeakPolarHBondContact O-CB 3.48Å; L44-R48 WeakPolarHBondContact O-CG 3.43Å; L44-R48 PolarHBondContact O-N 3.3Å; R48-Q51 PolarHBondContact O-N 3.01Å; R48-L52 WeakPolarHBondContact O-CB 3.42Å; R48-L52 WeakPolarHBondContact O-CG 3.47Å; R48-L52 PolarHBondContact O-N 3Å
49Q80.6Confident79.7Confident121 Ų12189.6 Ų89.657%0.56544%0.442SS*.Hα-helixtrans-64.6-40.6174.6-170.7177.38.800111.9A45 T46 K47 L52 Q53A45-Q49 WeakPolarHBondContact O-CB 3.44Å; A45-Q49 PolarHBondContact O-N 3.37Å; T46-Q49 PolarHBondContact O-N 3.47Å; K47-Q49 VanDerWaalsContact C-N 3.34Å; K47-Q49 PolarHBondContact O-N 2.89Å; Q49-L52 PolarHBondContact O-N 2.9Å; Q49-Q53 WeakPolarHBondContact O-CG 3.34Å; Q49-Q53 PolarHBondContact O-N 3.24Å
50Q78.8Confident77.5Confident79 Ų7989 Ų8937%0.36944%0.444SS..Hα-helixtrans-62.9-44.7173.5-73175.8-5.700111.8T46 K47 L52 Q53 Q54T46-Q50 WeakPolarHBondContact O-CG 3.37Å; T46-Q50 PolarHBondContact O-N 2.92Å; K47-Q50 WeakPolarHBondContact O-CB 3.46Å; K47-Q50 PolarHBondContact O-N 3.25Å; Q50-L52 PolarHBondContact O-N 3.45Å; Q50-Q53 PolarHBondContact O-N 3.44Å; Q50-Q54 WeakPolarHBondContact O-CB 3.46Å; Q50-Q54 PolarHBondContact O-N 3Å
51Q83.3Confident75.5Confident58 Ų5894 Ų9427%0.27148%0.476SS..Hα-helixtrans-60.8-42.5176.4-171.4-170.856.700112I3 I7 K47 R48 Q54 A55I3-Q51 HydrophobicContact CG2-CB 3.81Å; I3-Q51 HydrophobicContact CG2-CG 4.29Å; I7-Q51 HydrophobicContact CD1-CB 3.76Å; I7-Q51 VanDerWaalsContact CD1-CD 3.5Å; I7-Q51 HydrophobicContact CD1-CG 4.14Å; K47-Q51 PolarHBondContact O-N 3.41Å; R48-Q51 PolarHBondContact O-N 3.01Å; Q51-Q54 PolarHBondContact O-N 3.31Å; Q51-A55 WeakPolarHBondContact O-CB 3.46Å; Q51-A55 PolarHBondContact O-N 2.99Å
52L77.7Confident73.4Confident109 Ų10993.9 Ų93.957%0.57149%0.486SS*.Hα-helixtrans-66.6-36.5176.5-75.5167.8000112.5R48 Q49 Q50 K56R48-L52 WeakPolarHBondContact O-CB 3.42Å; R48-L52 WeakPolarHBondContact O-CG 3.47Å; R48-L52 PolarHBondContact O-N 3Å; Q49-L52 PolarHBondContact O-N 2.9Å; Q50-L52 PolarHBondContact O-N 3.45Å; L52-K56 WeakPolarHBondContact O-CB 3.34Å; L52-K56 VanDerWaalsContact O-CG 3.3Å; L52-K56 WeakPolarHBondContact O-CG 3.47Å; L52-K56 PolarHBondContact O-N 2.94Å; L52-K56 VanDerWaalsContact O-N 3.1Å
53Q71.2Confident71.2Confident90 Ų9088.9 Ų88.942%0.42147%0.474SS..Hα-helixtrans-67.4-39.5173.4-78.1178-9.900111.5Q49 Q50 K56 R57Q49-Q53 WeakPolarHBondContact O-CG 3.34Å; Q49-Q53 PolarHBondContact O-N 3.24Å; Q50-Q53 PolarHBondContact O-N 3.44Å; Q53-K56 PolarHBondContact O-N 3.25Å; Q53-R57 WeakPolarHBondContact O-CG 3.33Å; Q53-R57 PolarHBondContact O-N 2.85Å; Q53-R57 VanDerWaalsContact O-N 3.13Å
54Q72.2Confident69.1Low74 Ų7490.4 Ų90.435%0.34649%0.49SS..Hα-helixtrans-70-45.4178.2-170.7173.8-700112.1Q50 Q51 K56 R57 E58Q50-Q54 WeakPolarHBondContact O-CB 3.46Å; Q50-Q54 PolarHBondContact O-N 3Å; Q51-Q54 PolarHBondContact O-N 3.31Å; Q54-K56 VanDerWaalsContact C-N 3.27Å; Q54-K56 PolarHBondContact O-N 3.02Å; Q54-R57 WeakPolarHBondContact O-CA 3.28Å; Q54-R57 WeakPolarHBondContact O-CB 3.41Å; Q54-R57 PolarHBondContact O-N 2.97Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.21Å; Q54-E58 PolarHBondContact NE2-OE1 3.41Å; Q54-E58 PolarHBondContact O-N 3.31Å
55A72.5Confident66.8Low49 Ų4994.5 Ų94.541%0.40552%0.52SS..Hα-helixtrans-61.5-34.3175.100000112.5Q51 R57 E58 A59Q51-A55 WeakPolarHBondContact O-CB 3.46Å; Q51-A55 PolarHBondContact O-N 2.99Å; A55-R57 VanDerWaalsContact C-N 3.35Å; A55-E58 PolarHBondContact O-N 3.32Å; A55-A59 VanDerWaalsContact O-CB 3.28Å; A55-A59 WeakPolarHBondContact O-CB 3.4Å; A55-A59 PolarHBondContact O-N 2.68Å
56K62.4Low64.8Low159 Ų159101.7 Ų101.769%0.69154%0.541SS*.Hα-helixtrans-69.1-28.2171.8-80.5177.8178.9178.60113.7L52 Q53 Q54L52-K56 WeakPolarHBondContact O-CB 3.34Å; L52-K56 VanDerWaalsContact O-CG 3.3Å; L52-K56 WeakPolarHBondContact O-CG 3.47Å; L52-K56 PolarHBondContact O-N 2.94Å; L52-K56 VanDerWaalsContact O-N 3.1Å; Q53-K56 PolarHBondContact O-N 3.25Å; Q54-K56 VanDerWaalsContact C-N 3.27Å; Q54-K56 PolarHBondContact O-N 3.02Å
57R59.5Low62.9Low159 Ų159101.9 Ų101.960%0.655%0.549SS*.Hα-helixtrans-75.2-32.1173.6-71.7171.3-176.2-173.31.7111.8Q53 Q54 A55 D117Q53-R57 WeakPolarHBondContact O-CG 3.33Å; Q53-R57 PolarHBondContact O-N 2.85Å; Q53-R57 VanDerWaalsContact O-N 3.13Å; Q54-R57 WeakPolarHBondContact O-CA 3.28Å; Q54-R57 WeakPolarHBondContact O-CB 3.41Å; Q54-R57 PolarHBondContact O-N 2.97Å; A55-R57 VanDerWaalsContact C-N 3.35Å; R57-D117 IonicContact NH2-OD2 3.57Å; R57-D117 PolarHBondContact NH2-OD2 2.93Å
58E62.2Low61.5Low132 Ų132101.2 Ų101.262%0.61755%0.552SS**Hα-helixtrans-85.3-32.7-177.8-70.2170.9-168.900113.7Q54 A55 D60Q54-E58 WeakPolarHBondContact CG-OE1 3.21Å; Q54-E58 PolarHBondContact NE2-OE1 3.41Å; Q54-E58 PolarHBondContact O-N 3.31Å; A55-E58 PolarHBondContact O-N 3.32Å; E58-D60 VanDerWaalsContact C-N 3.3Å; E58-D60 PolarHBondContact O-N 3.47Å
59A56.6Low60.6Low86 Ų86101.8 Ų101.871%0.71156%0.555SS**SBendtrans-76.5-12.1-176.900000114.6A55A55-A59 VanDerWaalsContact O-CB 3.28Å; A55-A59 WeakPolarHBondContact O-CB 3.4Å; A55-A59 PolarHBondContact O-N 2.68Å
60D47.6Very low60.5Low81 Ų8199.3 Ų99.343%0.43355%0.548SS..  trans-147.679.4-173-147.3-20.1000111.6E58 S62 A63E58-D60 VanDerWaalsContact C-N 3.3Å; E58-D60 PolarHBondContact O-N 3.47Å; D60-S62 PolarHBondContact O-N 3.17Å; D60-S62 PolarHBondContact OD1-OG 3.14Å; D60-A63 HydrophobicContact CB-CB 3.79Å; D60-A63 PolarHBondContact O-N 3.4Å; D60-A63 VanDerWaalsContact O-N 3.09Å
61P51Low60.8Low120 Ų12098 Ų9878%0.77955%0.546SS*.THydrogen-bonded Turntrans-64-7178.724.3-32.3000113.5
62S45.3Very low61Low96 Ų96102 Ų10267%0.67156%0.562SS**THydrogen-bonded Turntrans-98.4-11176.388.50000114.3D60 V64D60-S62 PolarHBondContact O-N 3.17Å; D60-S62 PolarHBondContact OD1-OG 3.14Å; S62-V64 VanDerWaalsContact C-N 3.26Å; S62-V64 PolarHBondContact O-N 3.27Å; S62-V64 VanDerWaalsContact O-N 3.16Å
63A44.1Very low61.5Low53 Ų5397.6 Ų97.644%0.43854%0.539SS..  trans-8937.9-176.500000113.9D60 S65D60-A63 HydrophobicContact CB-CB 3.79Å; D60-A63 PolarHBondContact O-N 3.4Å; D60-A63 VanDerWaalsContact O-N 3.09Å; A63-S65 PolarHBondContact O-N 2.97Å
64V45.4Very low62.1Low132 Ų13298.8 Ų98.880%0.855%0.552SS**THydrogen-bonded Turntrans-62.9-3.1169.2-179.60000112S62S62-V64 VanDerWaalsContact C-N 3.26Å; S62-V64 PolarHBondContact O-N 3.27Å; S62-V64 VanDerWaalsContact O-N 3.16Å
65S43.4Very low62.8Low100 Ų10099.6 Ų99.670%0.69957%0.566SS**THydrogen-bonded Turntrans-11935.7-167.361.40000115.7A63 A67A63-S65 PolarHBondContact O-N 2.97Å; S65-A67 PolarHBondContact O-N 3.13Å
66K47.5Very low63.7Low208 Ų208101 Ų10190%0.90456%0.562SS**SBendtrans-87.877136.4-79.1-170.9-178.5179.60106.6A68K66-A68 PolarHBondContact O-N 3.49Å
67A46Very low65.1Low76 Ų7696.1 Ų96.163%0.62855%0.551SS**  trans-46.1102.6-176.900000109.8S65 Y69S65-A67 PolarHBondContact O-N 3.13Å; A67-Y69 PolarHBondContact O-N 3.1Å
68A57.4Low66.7Low29 Ų2992.3 Ų92.324%0.2454%0.537CS..  trans-57.298.8150.500000103.7K66 T70 N122K66-A68 PolarHBondContact O-N 3.49Å; A68-T70 PolarHBondContact O-N 3.4Å; A68-T70 VanDerWaalsContact O-N 3.12Å; A68-N122 PolarHBondContact O-ND2 2.85Å
69Y68.8Low68.2Low126 Ų12688.4 Ų88.449%0.49452%0.52SS..  trans-53.4123.2-174.445.6-80.4000107.7A67 V71 K121 N122A67-Y69 PolarHBondContact O-N 3.1Å; Y69-V71 HydrophobicContact CD2-CG2 3.81Å; Y69-V71 HydrophobicContact CE2-CG2 4.09Å; Y69-V71 PolarHBondContact O-N 2.96Å; Y69-K121 HydrophobicContact CD2-CB 4.41Å; Y69-K121 HydrophobicContact CD2-CD 4.12Å; Y69-K121 HydrophobicContact CD2-CG 4.22Å; Y69-K121 HydrophobicContact CE1-CG 4.06Å; Y69-K121 HydrophobicContact CE2-CB 4.13Å; Y69-K121 HydrophobicContact CE2-CD 3.2Å; Y69-K121 HydrophobicContact CE2-CG 3.47Å; Y69-K121 VanDerWaalsContact CE2-CG 3.47Å; Y69-K121 VanDerWaalsContact CE2-NZ 3.27Å; Y69-K121 VanDerWaalsContact CZ-CD 3.49Å; Y69-K121 WeakPolarHBondContact OH-CD 3.3Å; Y69-K121 WeakPolarHBondContact OH-CE 3.39Å; Y69-K121 WeakPolarHBondContact OH-CG 3.26Å; Y69-K121 PolarHBondContact OH-NZ 2.9Å; Y69-N122 PolarHBondContact O-N 2.78Å
70T78.6Confident69.9Low69 Ų6986.9 Ų86.942%0.42350%0.498SS..EExtended strand (participates in β ladder)trans-79.2107.6-176.9-55.30000108.4A68 N122 Q124A68-T70 PolarHBondContact O-N 3.4Å; A68-T70 VanDerWaalsContact O-N 3.12Å; T70-N122 CarbonylContact C-O 3.57Å; T70-N122 WeakPolarHBondContact CA-O 3.34Å; T70-N122 HydrophobicContact CG2-CB 4.25Å; T70-Q124 HydrophobicContact CG2-CB 3.86Å; T70-Q124 HydrophobicContact CG2-CG 3.55Å
71V84.3Confident72Confident52 Ų5285.2 Ų85.232%0.31549%0.493SS..EExtended strand (participates in β ladder)trans-82.8125.2174.5-1780000108.4Y69 I73 K121 N122 H123 Q124Y69-V71 HydrophobicContact CD2-CG2 3.81Å; Y69-V71 HydrophobicContact CE2-CG2 4.09Å; Y69-V71 PolarHBondContact O-N 2.96Å; V71-I73 PolarHBondContact O-N 3Å; V71-K121 HydrophobicContact CG2-CB 4.35Å; V71-K121 HydrophobicContact CG2-CD 3.96Å; V71-N122 PolarHBondContact N-O 2.89Å; V71-H123 CarbonylContact O-C 3.5Å; V71-H123 VanDerWaalsContact O-CA 3.27Å; V71-H123 WeakPolarHBondContact O-CA 3.46Å; V71-Q124 PolarHBondContact O-N 3.02Å
72K87.4Confident73.8Confident141 Ų14186.3 Ų86.361%0.61349%0.488SS*.EExtended strand (participates in β ladder)trans-74.2126.4170.6-172.6178.3-179.8-179.60109.1T74 Q124K72-T74 PolarHBondContact O-N 2.85Å; K72-Q124 CarbonylContact C-O 3.56Å; K72-Q124 WeakPolarHBondContact CA-O 3.43Å
73I87.9Confident76Confident17 Ų1787.5 Ų87.59%0.08748%0.481CS..  trans-74.2114.5172.6-53.8168.2000107.3V71 S75 L89 L91 I115 H123 Q124 M125V71-I73 PolarHBondContact O-N 3Å; I73-S75 WeakPolarHBondContact CG2-O 3.4Å; I73-L89 HydrophobicContact CD1-CD1 4.26Å; I73-L89 HydrophobicContact CG2-CD2 4.16Å; I73-L91 HydrophobicContact CD1-CD1 4.32Å; I73-L91 HydrophobicContact CD1-CD2 4.16Å; I73-L91 HydrophobicContact CG1-CD2 4.47Å; I73-I115 HydrophobicContact CD1-CD1 3.67Å; I73-H123 HydrophobicContact CD1-CB 3.92Å; I73-H123 HydrophobicContact CG1-CB 3.88Å; I73-Q124 PolarHBondContact N-O 3.23Å; I73-M125 HydrophobicContact CB-CB 4.12Å; I73-M125 HydrophobicContact CD1-CB 4.19Å; I73-M125 HydrophobicContact CG2-SD 4.44Å
74T83.5Confident78.3Confident115 Ų11586.8 Ų86.871%0.70647%0.468SS*.  trans-107.5-28.2178.553.30000112.3K72K72-T74 PolarHBondContact O-N 2.85Å
75S86.9Confident80.7Confident91 Ų9180.5 Ų80.564%0.63643%0.43SS*.  trans-88.8115.7176.6-171.60000109.5I73I73-S75 WeakPolarHBondContact CG2-O 3.4Å
76Y91.8Very high83.1Confident80 Ų8078.2 Ų78.231%0.31441%0.407SS..  trans-150.5153.9172.766.9-88000109.3I87 Y88 L89 M125 L163Y76-I87 HydrophobicContact CD2-CG2 4.15Å; Y76-Y88 WeakPolarHBondContact CA-O 3.44Å; Y76-L89 HydrophobicContact CG-CD2 4.45Å; Y76-M125 HydrophobicContact CD1-CE 3.55Å; Y76-M125 HydrophobicContact CD1-SD 4.36Å; Y76-M125 HydrophobicContact CD2-CE 3.97Å; Y76-M125 HydrophobicContact CE1-CE 3.86Å; Y76-M125 HydrophobicContact CE2-CE 4.25Å; Y76-M125 HydrophobicContact CG-CE 3.62Å; Y76-M125 HydrophobicContact CG-SD 4.45Å; Y76-L163 HydrophobicContact CD2-CD2 4.48Å; Y76-L163 HydrophobicContact CE2-CD2 3.52Å
77A91.3Very high85.4Confident56 Ų5668.3 Ų68.346%0.46336%0.364SS..EExtended strand (participates in β ladder)trans-115.1154.5167.600000109Y88A77-Y88 PolarHBondContact N-O 3.18Å; A77-Y88 PolarHBondContact O-N 2.77Å
78W94.3Very high87.6Confident78 Ų7867.2 Ų67.230%0.29534%0.344SS..EExtended strand (participates in β ladder)trans-138.9146.9173.872.5-80.2000111.3Q80 V85 K86 I87 W160 L163W78-Q80 HydrophobicContact CZ3-CB 4.47Å; W78-V85 HydrophobicContact CE3-CG1 3.98Å; W78-V85 HydrophobicContact CZ3-CG1 4.46Å; W78-K86 CarbonylContact C-O 3.13Å; W78-K86 WeakPolarHBondContact CA-O 3.44Å; W78-K86 WeakPolarHBondContact CB-O 3.4Å; W78-I87 HydrophobicContact CB-CD1 3.54Å; W78-I87 HydrophobicContact CG-CD1 4.49Å; W78-W160 HydrophobicContact CH2-CB 4.27Å; W78-W160 HydrophobicContact CZ3-CB 4.22Å; W78-L163 HydrophobicContact CD2-CB 4.07Å; W78-L163 HydrophobicContact CD2-CD1 4.16Å; W78-L163 HydrophobicContact CE3-CD1 4.2Å; W78-L163 HydrophobicContact CG-CB 4.38Å; W78-L163 HydrophobicContact CG-CD1 4.35Å; W78-L163 HydrophobicContact CG-CD2 4.3Å; W78-L163 HydrophobicContact CZ2-CB 4.14Å
79D93.9Very high89.3Confident51 Ų5165.9 Ų65.927%0.27333%0.333SS..EExtended strand (participates in β ladder)trans-128.3176.3169.383.415.2000110.2K86 Y88D79-K86 PolarHBondContact N-O 3.21Å; D79-K86 PolarHBondContact O-N 2.79Å; D79-K86 WeakPolarHBondContact OD1-CB 3.49Å; D79-K86 VanDerWaalsContact OD1-CD 3.24Å; D79-K86 WeakPolarHBondContact OD1-CD 3.2Å; D79-K86 WeakPolarHBondContact OD1-CG 3.48Å; D79-K86 IonicContact OD1-NZ 3.22Å; D79-K86 IonicContact OD2-NZ 3.16Å; D79-Y88 HydrophobicContact CB-CE2 4Å; D79-Y88 PolarHBondContact OD2-OH 2.83Å
80Q92.1Very high90.3Very high53 Ų5365.8 Ų65.825%0.24834%0.341CS..EExtended strand (participates in β ladder)trans-141.4152166.967.2-177.3-43.500111.1W78 F84 V85 W160W78-Q80 HydrophobicContact CZ3-CB 4.47Å; Q80-F84 CarbonylContact C-O 3.57Å; Q80-F84 WeakPolarHBondContact CA-O 3.3Å; Q80-V85 HydrophobicContact CB-CG2 4.33Å; Q80-W160 PolarHBondContact NE2-O 3.29Å
81S90.8Very high90.7Very high46 Ų4663 Ų6332%0.32232%0.323SS..  trans-110.1-175.3163.762.10000109.2K83 F84 K154S81-K83 VanDerWaalsContact C-N 3.29Å; S81-K83 PolarHBondContact O-N 3.31Å; S81-F84 PolarHBondContact N-O 3.22Å; S81-F84 PolarHBondContact OG-N 3.08Å; S81-F84 PolarHBondContact OG-O 2.87Å; S81-K154 WeakPolarHBondContact O-CE 3.37Å; S81-K154 PolarHBondContact O-NZ 3.11Å
82E89Confident90.8Very high143 Ų14368 Ų6867%0.66834%0.341SS*.SBendtrans-59.8-39.9174.2-169176.6-160.600112.3
83K91.8Very high90.7Very high122 Ų12263.5 Ų63.553%0.5332%0.323SS..SBendtrans-105.1-23-172.7-65.6-179.4-179.2177.80114.9S81 K154S81-K83 VanDerWaalsContact C-N 3.29Å; S81-K83 PolarHBondContact O-N 3.31Å; K83-K154 PolarHBondContact O-N 3.13Å
84F92.8Very high90.6Very high38 Ų3862.7 Ų62.717%0.16732%0.319CS..EExtended strand (participates in β ladder)trans-132.8143.6-173.5-66.3-89.7000111.8Q80 S81 Y140 M151 L152 K153Q80-F84 CarbonylContact C-O 3.57Å; Q80-F84 WeakPolarHBondContact CA-O 3.3Å; S81-F84 PolarHBondContact N-O 3.22Å; S81-F84 PolarHBondContact OG-N 3.08Å; S81-F84 PolarHBondContact OG-O 2.87Å; F84-Y140 HydrophobicContact CE1-CE1 4.24Å; F84-M151 HydrophobicContact CB-CE 4.18Å; F84-M151 HydrophobicContact CD1-CB 4.27Å; F84-M151 HydrophobicContact CD1-CE 4.22Å; F84-M151 HydrophobicContact CD2-CE 4.3Å; F84-M151 HydrophobicContact CG-CE 3.99Å; F84-L152 CarbonylContact C-O 3.53Å; F84-L152 VanDerWaalsContact CA-O 3.23Å; F84-L152 WeakPolarHBondContact CA-O 3.35Å; F84-K153 HydrophobicContact CD1-CB 4.11Å; F84-K153 HydrophobicContact CD1-CD 4.07Å; F84-K153 HydrophobicContact CE1-CB 3.8Å; F84-K153 HydrophobicContact CE1-CD 3.48Å; F84-K153 VanDerWaalsContact CE1-CD 3.48Å; F84-K153 HydrophobicContact CE1-CG 4.26Å; F84-K153 HydrophobicContact CE2-CD 4.13Å; F84-K153 HydrophobicContact CZ-CD 3.51Å
85V94.3Very high90.6Very high0 Ų061 Ų610%030%0.303CS..EExtended strand (participates in β ladder)trans-94.2134158.6179.90000107.1W78 Q80 I87 L152 K154 W160 L163W78-V85 HydrophobicContact CE3-CG1 3.98Å; W78-V85 HydrophobicContact CZ3-CG1 4.46Å; Q80-V85 HydrophobicContact CB-CG2 4.33Å; V85-I87 HydrophobicContact CG1-CD1 4.09Å; V85-L152 HydrophobicContact CB-CB 4.29Å; V85-L152 PolarHBondContact N-O 3.16Å; V85-L152 PolarHBondContact O-N 2.84Å; V85-K154 HydrophobicContact CG2-CD 4.31Å; V85-K154 HydrophobicContact CG2-CG 3.99Å; V85-W160 HydrophobicContact CG2-CD2 3.7Å; V85-W160 HydrophobicContact CG2-CE3 3.94Å; V85-W160 HydrophobicContact CG2-CG 4.2Å; V85-W160 HydrophobicContact CG2-CH2 4.14Å; V85-W160 HydrophobicContact CG2-CZ2 3.93Å; V85-W160 HydrophobicContact CG2-CZ3 4.16Å; V85-L163 HydrophobicContact CG1-CD1 4.02Å
86K94.9Very high90.4Very high52 Ų5263.7 Ų63.723%0.22630%0.304CS..EExtended strand (participates in β ladder)trans-118.5131.7179.9-45.9178.5-159.9148.30110.2W78 D79 Y88 L149 I150 M151W78-K86 CarbonylContact C-O 3.13Å; W78-K86 WeakPolarHBondContact CA-O 3.44Å; W78-K86 WeakPolarHBondContact CB-O 3.4Å; D79-K86 PolarHBondContact N-O 3.21Å; D79-K86 PolarHBondContact O-N 2.79Å; D79-K86 WeakPolarHBondContact OD1-CB 3.49Å; D79-K86 VanDerWaalsContact OD1-CD 3.24Å; D79-K86 WeakPolarHBondContact OD1-CD 3.2Å; D79-K86 WeakPolarHBondContact OD1-CG 3.48Å; D79-K86 IonicContact OD1-NZ 3.22Å; D79-K86 IonicContact OD2-NZ 3.16Å; K86-Y88 HydrophobicContact CB-CE2 4.11Å; K86-L149 HydrophobicContact CB-CD1 3.9Å; K86-I150 CarbonylContact C-O 3.53Å; K86-I150 WeakPolarHBondContact CA-O 3.26Å; K86-M151 HydrophobicContact CD-CE 4.31Å; K86-M151 HydrophobicContact CG-CE 4.32Å; K86-M151 HydrophobicContact CG-CG 4.37Å
87I94.8Very high90Very high0 Ų061.5 Ų61.50%030%0.297CS..EExtended strand (participates in β ladder)trans-110.3129.9175.7-43.7-60.9000108.1Y76 W78 V85 L89 F111 M125 L149 I150 L152 L163Y76-I87 HydrophobicContact CD2-CG2 4.15Å; W78-I87 HydrophobicContact CB-CD1 3.54Å; W78-I87 HydrophobicContact CG-CD1 4.49Å; V85-I87 HydrophobicContact CG1-CD1 4.09Å; I87-L89 HydrophobicContact CG2-CD2 3.98Å; I87-L89 HydrophobicContact CG2-CG 4.42Å; I87-F111 HydrophobicContact CB-CZ 4.46Å; I87-F111 HydrophobicContact CD1-CZ 4.47Å; I87-F111 HydrophobicContact CG1-CE1 4.09Å; I87-F111 HydrophobicContact CG1-CZ 3.78Å; I87-F111 HydrophobicContact CG2-CZ 4.34Å; I87-M125 HydrophobicContact CG2-CE 4.26Å; I87-L149 WeakPolarHBondContact O-CA 3.21Å; I87-I150 HydrophobicContact CB-CB 4.13Å; I87-I150 HydrophobicContact CB-CD1 4.31Å; I87-I150 HydrophobicContact CG1-CB 4.48Å; I87-I150 PolarHBondContact N-O 3.49Å; I87-I150 PolarHBondContact O-N 2.91Å; I87-L152 HydrophobicContact CG1-CD1 4.33Å; I87-L163 HydrophobicContact CD1-CD1 3.67Å; I87-L163 HydrophobicContact CD1-CD2 4.05Å
88Y93.4Very high89.5Confident53 Ų5361.6 Ų61.621%0.20829%0.294CS..EExtended strand (participates in β ladder)trans-109119.4178.8-57.2-87.4000108.6Y76 A77 D79 K86 M147 L149Y76-Y88 WeakPolarHBondContact CA-O 3.44Å; A77-Y88 PolarHBondContact N-O 3.18Å; A77-Y88 PolarHBondContact O-N 2.77Å; D79-Y88 HydrophobicContact CB-CE2 4Å; D79-Y88 PolarHBondContact OD2-OH 2.83Å; K86-Y88 HydrophobicContact CB-CE2 4.11Å; Y88-M147 HydrophobicContact CD1-CE 4.06Å; Y88-M147 HydrophobicContact CD1-SD 3.76Å; Y88-M147 HydrophobicContact CG-SD 4.49Å; Y88-L149 HydrophobicContact CD1-CD1 3.68Å; Y88-L149 HydrophobicContact CE1-CD1 3.49Å; Y88-L149 VanDerWaalsContact CE1-CD1 3.49Å; Y88-L149 HydrophobicContact CG-CD1 4.36Å
89L92.4Very high88.7Confident0 Ų061.3 Ų61.30%031%0.309CS..EExtended strand (participates in β ladder)trans-115.5113.5175.9-53.4179.7000109I73 Y76 I87 L91 M125 M147 L148 I150I73-L89 HydrophobicContact CD1-CD1 4.26Å; I73-L89 HydrophobicContact CG2-CD2 4.16Å; Y76-L89 HydrophobicContact CG-CD2 4.45Å; I87-L89 HydrophobicContact CG2-CD2 3.98Å; I87-L89 HydrophobicContact CG2-CG 4.42Å; L89-L91 HydrophobicContact CB-CD1 4.12Å; L89-L91 HydrophobicContact CB-CG 4.22Å; L89-L91 PolarHBondContact O-N 3.43Å; L89-M125 HydrophobicContact CD1-SD 4.08Å; L89-M125 HydrophobicContact CD2-CE 4.27Å; L89-M125 HydrophobicContact CD2-SD 3.4Å; L89-M125 WeakPolarHBondContact CD2-SD 3.37Å; L89-M125 HydrophobicContact CG-SD 4.38Å; L89-M147 CarbonylContact O-C 3.59Å; L89-M147 VanDerWaalsContact O-CA 3.31Å; L89-M147 WeakPolarHBondContact O-CA 3.22Å; L89-L148 HydrophobicContact CB-CB 4.25Å; L89-L148 HydrophobicContact CD1-CD2 4.24Å; L89-L148 PolarHBondContact N-O 2.89Å; L89-L148 PolarHBondContact O-N 2.94Å; L89-I150 HydrophobicContact CD1-CD1 3.71Å; L89-I150 HydrophobicContact CG-CD1 4.33Å
90D90.3Very high88Confident125 Ų12566.5 Ų66.567%0.66833%0.331SS*.EExtended strand (participates in β ladder)trans-79.1104.9177.2-67.2-24.7000109.3
91L87.6Confident87.6Confident10 Ų1065.9 Ų65.95%0.05233%0.33CS..  trans-131.798.4-173.8-67.5172.8000108.5I73 L89 D93 V94 I115 L118 D146 L148I73-L91 HydrophobicContact CD1-CD1 4.32Å; I73-L91 HydrophobicContact CD1-CD2 4.16Å; I73-L91 HydrophobicContact CG1-CD2 4.47Å; L89-L91 HydrophobicContact CB-CD1 4.12Å; L89-L91 HydrophobicContact CB-CG 4.22Å; L89-L91 PolarHBondContact O-N 3.43Å; L91-D93 PolarHBondContact O-N 3.16Å; L91-V94 HydrophobicContact CB-CB 3.81Å; L91-V94 HydrophobicContact CB-CG1 4.16Å; L91-V94 HydrophobicContact CB-CG2 4.21Å; L91-V94 HydrophobicContact CD1-CG2 4.28Å; L91-V94 VanDerWaalsContact O-CB 3.26Å; L91-V94 WeakPolarHBondContact O-CB 3.35Å; L91-V94 WeakPolarHBondContact O-CG1 3.09Å; L91-V94 PolarHBondContact O-N 2.88Å; L91-I115 HydrophobicContact CD1-CD1 3.43Å; L91-I115 VanDerWaalsContact CD1-CD1 3.43Å; L91-I115 HydrophobicContact CD1-CG1 4.17Å; L91-L118 HydrophobicContact CB-CD2 4.05Å; L91-L118 HydrophobicContact CD2-CD2 4.18Å; L91-D146 CarbonylContact C-O 3.46Å; L91-D146 PolarHBondContact N-O 3.33Å; L91-D146 CarbonylContact O-C 3.52Å; L91-D146 WeakPolarHBondContact O-CA 3.27Å; L91-L148 HydrophobicContact CD1-CB 4.04Å; L91-L148 HydrophobicContact CD1-CD2 4.38Å
92K86.4Confident87.5Confident158 Ų15863.9 Ų63.969%0.68732%0.315SS*.THydrogen-bonded Turntrans-56.3136.4178.9-66.4-172.3178.3-175.30111V94K92-V94 PolarHBondContact O-N 3.11Å
93D84.5Confident87.5Confident45 Ų4560.5 Ų60.524%0.24130%0.299CS..THydrogen-bonded Turntrans64.211.6178.1-60-61.5000115L91 H95 K96 D146L91-D93 PolarHBondContact O-N 3.16Å; D93-H95 PolarHBondContact O-N 3.43Å; D93-H95 VanDerWaalsContact O-N 3.08Å; D93-K96 HydrophobicContact CB-CD 4.08Å; D93-K96 HydrophobicContact CB-CG 4.49Å; D93-K96 WeakPolarHBondContact O-CB 3.38Å; D93-K96 PolarHBondContact O-N 3.08Å; D93-K96 WeakPolarHBondContact OD1-CE 3.34Å; D93-K96 IonicContact OD1-NZ 3.51Å; D93-K96 PolarHBondContact OD1-NZ 3.41Å; D93-D146 PolarHBondContact N-OD1 3.1Å
94V85.3Confident87.5Confident0 Ų055.5 Ų55.50%028%0.279CS..THydrogen-bonded Turntrans-61.4-21.3177.9740000113.1L91 K92 K96 I97 L118 V143L91-V94 HydrophobicContact CB-CB 3.81Å; L91-V94 HydrophobicContact CB-CG1 4.16Å; L91-V94 HydrophobicContact CB-CG2 4.21Å; L91-V94 HydrophobicContact CD1-CG2 4.28Å; L91-V94 VanDerWaalsContact O-CB 3.26Å; L91-V94 WeakPolarHBondContact O-CB 3.35Å; L91-V94 WeakPolarHBondContact O-CG1 3.09Å; L91-V94 PolarHBondContact O-N 2.88Å; K92-V94 PolarHBondContact O-N 3.11Å; V94-K96 VanDerWaalsContact C-N 3.27Å; V94-K96 PolarHBondContact O-N 2.89Å; V94-I97 HydrophobicContact CG2-CD1 4.06Å; V94-I97 HydrophobicContact CG2-CG1 4.37Å; V94-I97 WeakPolarHBondContact O-CG1 3.47Å; V94-L118 HydrophobicContact CB-CD1 4.4Å; V94-V143 HydrophobicContact CG1-CG1 4.16Å; V94-V143 HydrophobicContact CG2-CG1 4.46Å
95H83.6Confident87.5Confident81 Ų8158.1 Ų58.138%0.37530%0.295SS..THydrogen-bonded Turntrans-75.4-14.2175.665.1-80.3000113.6D93 D146D93-H95 PolarHBondContact O-N 3.43Å; D93-H95 VanDerWaalsContact O-N 3.08Å; H95-D146 IonicContact CE1-OD1 3.89Å; H95-D146 PolarHBondContact CE1-OD1 2.7Å; H95-D146 IonicContact ND1-OD1 3.68Å; H95-D146 PolarHBondContact ND1-OD1 2.57Å; H95-D146 VanDerWaalsContact ND1-OD1 3.16Å
96K84.1Confident87.4Confident147 Ų14759.7 Ų59.764%0.63930%0.302SS*.THydrogen-bonded Turntrans-90.7-19.7-179.6-62-178.5179.4160.40113.2D93 V94D93-K96 HydrophobicContact CB-CD 4.08Å; D93-K96 HydrophobicContact CB-CG 4.49Å; D93-K96 WeakPolarHBondContact O-CB 3.38Å; D93-K96 PolarHBondContact O-N 3.08Å; D93-K96 WeakPolarHBondContact OD1-CE 3.34Å; D93-K96 IonicContact OD1-NZ 3.51Å; D93-K96 PolarHBondContact OD1-NZ 3.41Å; V94-K96 VanDerWaalsContact C-N 3.27Å; V94-K96 PolarHBondContact O-N 2.89Å
97I82.8Confident87.2Confident33 Ų3359.8 Ų59.817%0.16931%0.307CS..SBendtrans-83.2151.3178.458.3163.6000110.7V94 N101 V102 I115 L118V94-I97 HydrophobicContact CG2-CD1 4.06Å; V94-I97 HydrophobicContact CG2-CG1 4.37Å; V94-I97 WeakPolarHBondContact O-CG1 3.47Å; I97-N101 HydrophobicContact CD1-CB 4.39Å; I97-V102 HydrophobicContact CD1-CG2 3.67Å; I97-V102 HydrophobicContact CG1-CG2 4.39Å; I97-I115 HydrophobicContact CD1-CG2 3.32Å; I97-L118 HydrophobicContact CD1-CD1 4.28Å; I97-L118 HydrophobicContact CG1-CD1 4.5Å; I97-L118 HydrophobicContact CG2-CD1 4.02Å
98S79.8Confident86.9Confident59 Ų5964.7 Ų64.741%0.41333%0.33SS..  trans-61.1144.7175.4-177.70000110.8E100 N101S98-E100 PolarHBondContact O-N 3.49Å; S98-E100 VanDerWaalsContact O-N 3.17Å; S98-E100 PolarHBondContact OG-N 3.19Å; S98-N101 WeakPolarHBondContact O-CB 3.23Å; S98-N101 PolarHBondContact O-N 3.14Å
99A78.8Confident86.7Confident72 Ų7267.4 Ų67.460%0.59534%0.339SS*.G310 helixtrans-59.2-25.9174.700000112.6N101 V102A99-N101 PolarHBondContact O-N 2.87Å; A99-V102 PolarHBondContact O-N 2.95Å; A99-V102 VanDerWaalsContact O-N 3.14Å
100E79.3Confident86.7Confident160 Ų16068.8 Ų68.875%0.74835%0.349SS*.G310 helixtrans-65.2-27.1174.8-63.4177.5173.900112.7S98 V102S98-E100 PolarHBondContact O-N 3.49Å; S98-E100 VanDerWaalsContact O-N 3.17Å; S98-E100 PolarHBondContact OG-N 3.19Å; E100-V102 PolarHBondContact O-N 2.84Å
101N84.2Confident86.8Confident40 Ų4062.9 Ų62.921%0.21432%0.318CS..G310 helixtrans-80-5.5176.5-68-16.6000112.6I97 S98 A99 I115 K116I97-N101 HydrophobicContact CD1-CB 4.39Å; S98-N101 WeakPolarHBondContact O-CB 3.23Å; S98-N101 PolarHBondContact O-N 3.14Å; A99-N101 PolarHBondContact O-N 2.87Å; N101-I115 WeakPolarHBondContact O-CA 3.24Å; N101-K116 HydrophobicContact CB-CB 4.25Å; N101-K116 PolarHBondContact O-N 2.86Å
102V88.2Confident87Confident3 Ų364.1 Ų64.12%0.01833%0.327CS..EExtended strand (participates in β ladder)trans-108.389178.4-174.40000109.1I97 A99 E100 V104 I115 K141 L148I97-V102 HydrophobicContact CD1-CG2 3.67Å; I97-V102 HydrophobicContact CG1-CG2 4.39Å; A99-V102 PolarHBondContact O-N 2.95Å; A99-V102 VanDerWaalsContact O-N 3.14Å; E100-V102 PolarHBondContact O-N 2.84Å; V102-V104 HydrophobicContact CG1-CG2 4.29Å; V102-I115 HydrophobicContact CG1-CG1 4.38Å; V102-I115 HydrophobicContact CG2-CG2 4.45Å; V102-K141 WeakPolarHBondContact O-CE 3.29Å; V102-K141 PolarHBondContact O-NZ 2.76Å; V102-K141 VanDerWaalsContact O-NZ 3.08Å; V102-L148 HydrophobicContact CG1-CD1 4.03Å; V102-L148 HydrophobicContact CG1-CD2 3.88Å
103E88.9Confident87.3Confident72 Ų7256.7 Ų56.734%0.33630%0.295SS..EExtended strand (participates in β ladder)trans-87.5132.2175.8-72.1167.7-167.500109V113 L114 K116E103-V113 WeakPolarHBondContact O-CA 3.31Å; E103-L114 HydrophobicContact CB-CB 4.28Å; E103-L114 PolarHBondContact N-O 2.64Å; E103-L114 PolarHBondContact O-N 2.98Å; E103-K116 IonicContact OE1-NZ 3.27Å; E103-K116 PolarHBondContact OE1-NZ 2.96Å; E103-K116 WeakPolarHBondContact OE2-CE 3.18Å; E103-K116 IonicContact OE2-NZ 2.68Å; E103-K116 PolarHBondContact OE2-NZ 2.85Å
104V91.6Very high87.6Confident17 Ų1756.8 Ų56.810%0.10330%0.295CS..EExtended strand (participates in β ladder)trans-139.2122.8177-178.80000107.3V102 F106 S112 V113 K141V102-V104 HydrophobicContact CG1-CG2 4.29Å; V104-F106 HydrophobicContact CB-CZ 4.37Å; V104-F106 HydrophobicContact CG1-CD1 4.19Å; V104-F106 HydrophobicContact CG1-CD2 4.45Å; V104-F106 HydrophobicContact CG1-CE1 3.52Å; V104-F106 HydrophobicContact CG1-CE2 3.83Å; V104-F106 HydrophobicContact CG1-CZ 3.32Å; V104-S112 CarbonylContact C-O 3.56Å; V104-S112 VanDerWaalsContact CA-O 3.3Å; V104-S112 WeakPolarHBondContact CA-O 3.46Å; V104-V113 HydrophobicContact CB-CG2 4.42Å; V104-V113 HydrophobicContact CG1-CG2 4Å; V104-V113 HydrophobicContact CG2-CB 4.45Å; V104-V113 HydrophobicContact CG2-CG1 4.14Å; V104-V113 HydrophobicContact CG2-CG2 3.9Å; V104-K141 HydrophobicContact CB-CD 4.01Å; V104-K141 HydrophobicContact CG2-CB 4.02Å; V104-K141 HydrophobicContact CG2-CD 3.76Å; V104-K141 HydrophobicContact CG2-CG 4.04Å
105D91.6Very high87.8Confident93 Ų9356.8 Ų56.850%0.49730%0.295SS..EExtended strand (participates in β ladder)trans-112.2127176.6-53.6-75.7000108.6F111 S112D105-F111 CarbonylContact O-C 3.57Å; D105-F111 VanDerWaalsContact O-CA 3.26Å; D105-F111 WeakPolarHBondContact O-CA 3.16Å; D105-S112 PolarHBondContact N-O 2.94Å; D105-S112 PolarHBondContact O-N 3Å
106F92.4Very high87.9Confident33 Ų3356.2 Ų56.215%0.14529%0.292CS..EExtended strand (participates in β ladder)trans-103.3141.9174.3-57.1-67.8000108.7V104 F111 I134 E136 S139 I150 L152V104-F106 HydrophobicContact CB-CZ 4.37Å; V104-F106 HydrophobicContact CG1-CD1 4.19Å; V104-F106 HydrophobicContact CG1-CD2 4.45Å; V104-F106 HydrophobicContact CG1-CE1 3.52Å; V104-F106 HydrophobicContact CG1-CE2 3.83Å; V104-F106 HydrophobicContact CG1-CZ 3.32Å; F106-F111 HydrophobicContact CD1-CB 3.9Å; F106-F111 HydrophobicContact CE1-CB 4.4Å; F106-I134 HydrophobicContact CD1-CD1 4.47Å; F106-E136 HydrophobicContact CB-CB 4.13Å; F106-E136 HydrophobicContact CB-CG 4.23Å; F106-S139 WeakPolarHBondContact CE2-O 3.46Å; F106-I150 HydrophobicContact CE1-CG2 3.62Å; F106-I150 HydrophobicContact CZ-CG2 4.05Å; F106-L152 HydrophobicContact CD1-CD2 3.56Å; F106-L152 HydrophobicContact CE1-CD2 3.41Å; F106-L152 VanDerWaalsContact CE1-CD2 3.41Å
107T91.5Very high87.8Confident54 Ų5452.4 Ų52.433%0.33128%0.278SS..EExtended strand (participates in β ladder)trans-133.4164.4170.262.30000108.1R109 S110 I134 E136T107-R109 PolarHBondContact O-N 3Å; T107-S110 CarbonylContact C-O 3.56Å; T107-S110 PolarHBondContact N-O 3.09Å; T107-S110 PolarHBondContact O-N 3.16Å; T107-S110 VanDerWaalsContact OG1-CA 3.27Å; T107-S110 WeakPolarHBondContact OG1-CA 3.32Å; T107-S110 WeakPolarHBondContact OG1-CB 3.13Å; T107-S110 PolarHBondContact OG1-N 3.42Å; T107-S110 PolarHBondContact OG1-O 2.99Å; T107-S110 PolarHBondContact OG1-OG 3.22Å; T107-I134 WeakPolarHBondContact O-CD1 3.4Å; T107-I134 VanDerWaalsContact O-CG1 3.29Å; T107-I134 WeakPolarHBondContact O-CG1 3.25Å; T107-E136 WeakPolarHBondContact CA-OE1 3.49Å
108E89Confident87.7Confident103 Ų10351 Ų5148%0.48127%0.271SS..THydrogen-bonded Turntrans-47.7-39.2-176.1-165-164.2147.900113.6P133 I134 E136E108-P133 HydrophobicContact CG-CB 3.82Å; E108-P133 CarbonylContact O-C 3.56Å; E108-P133 WeakPolarHBondContact O-CA 3.27Å; E108-I134 WeakPolarHBondContact O-CG1 3.35Å; E108-I134 PolarHBondContact O-N 3.38Å; E108-E136 PolarHBondContact N-OE1 3.01Å
109R89.4Confident87.6Confident110 Ų11053.2 Ų53.242%0.41528%0.278SS..THydrogen-bonded Turntrans-132.618.9-177.8-70.3-178.4175.7-975.4114.2T107 N129 L130 L131 P133T107-R109 PolarHBondContact O-N 3Å; R109-N129 PolarHBondContact O-N 3Å; R109-L130 WeakPolarHBondContact O-CB 3.18Å; R109-L130 VanDerWaalsContact O-CG 3.32Å; R109-L130 WeakPolarHBondContact O-CG 3.47Å; R109-L130 PolarHBondContact O-N 3.47Å; R109-L131 PolarHBondContact NH1-O 2.91Å; R109-P133 HydrophobicContact CG-CB 4.17Å
110S90.7Very high87.3Confident29 Ų2951.8 Ų51.820%0.20327%0.271CS..EExtended strand (participates in β ladder)trans-154.1163.5175.951.70000112T107 V127T107-S110 CarbonylContact C-O 3.56Å; T107-S110 PolarHBondContact N-O 3.09Å; T107-S110 PolarHBondContact O-N 3.16Å; T107-S110 VanDerWaalsContact OG1-CA 3.27Å; T107-S110 WeakPolarHBondContact OG1-CA 3.32Å; T107-S110 WeakPolarHBondContact OG1-CB 3.13Å; T107-S110 PolarHBondContact OG1-N 3.42Å; T107-S110 PolarHBondContact OG1-O 2.99Å; T107-S110 PolarHBondContact OG1-OG 3.22Å; S110-V127 WeakPolarHBondContact CA-O 3.24Å; S110-V127 WeakPolarHBondContact CB-O 3.43Å
111F92.9Very high87.5Confident2 Ų247.4 Ų47.41%0.00925%0.249CC..EExtended strand (participates in β ladder)trans-143149.5168.672.9-86.7000110.2I87 D105 F106 V113 M125 V127 L130 I150 L152I87-F111 HydrophobicContact CB-CZ 4.46Å; I87-F111 HydrophobicContact CD1-CZ 4.47Å; I87-F111 HydrophobicContact CG1-CE1 4.09Å; I87-F111 HydrophobicContact CG1-CZ 3.78Å; I87-F111 HydrophobicContact CG2-CZ 4.34Å; D105-F111 CarbonylContact O-C 3.57Å; D105-F111 VanDerWaalsContact O-CA 3.26Å; D105-F111 WeakPolarHBondContact O-CA 3.16Å; F106-F111 HydrophobicContact CD1-CB 3.9Å; F106-F111 HydrophobicContact CE1-CB 4.4Å; F111-V113 HydrophobicContact CD2-CG2 4.03Å; F111-V113 HydrophobicContact CE2-CG2 4.18Å; F111-M125 HydrophobicContact CE2-CE 4.49Å; F111-M125 HydrophobicContact CZ-CE 4.05Å; F111-V127 HydrophobicContact CD1-CB 3.95Å; F111-V127 HydrophobicContact CD1-CG2 4.49Å; F111-V127 HydrophobicContact CE1-CB 3.49Å; F111-V127 VanDerWaalsContact CE1-CB 3.49Å; F111-V127 HydrophobicContact CE1-CG1 4.04Å; F111-V127 HydrophobicContact CE1-CG2 3.64Å; F111-V127 HydrophobicContact CE2-CG2 4.25Å; F111-V127 HydrophobicContact CZ-CB 3.86Å; F111-V127 HydrophobicContact CZ-CG2 3.48Å; F111-V127 VanDerWaalsContact CZ-CG2 3.48Å; F111-V127 PolarHBondContact N-O 3.44Å; F111-V127 VanDerWaalsContact N-O 3.1Å; F111-V127 PolarHBondContact O-N 2.84Å; F111-L130 HydrophobicContact CD1-CD1 4.31Å; F111-L130 HydrophobicContact CD1-CD2 4.29Å; F111-L130 HydrophobicContact CE1-CD2 4.25Å; F111-I150 HydrophobicContact CD2-CD1 4.17Å; F111-I150 HydrophobicContact CD2-CG2 4.46Å; F111-I150 HydrophobicContact CE2-CD1 3.61Å; F111-I150 HydrophobicContact CZ-CD1 4.43Å; F111-L152 HydrophobicContact CB-CD2 4.28Å; F111-L152 HydrophobicContact CD1-CD1 3.71Å; F111-L152 HydrophobicContact CD1-CD2 4.15Å; F111-L152 HydrophobicContact CE1-CD1 3.85Å; F111-L152 HydrophobicContact CG-CD2 4.2Å
112S92.1Very high87.6Confident36 Ų3647.3 Ų47.325%0.25225%0.249SC..EExtended strand (participates in β ladder)trans-124.3144.7171.1480000110.9V104 D105 M125V104-S112 CarbonylContact C-O 3.56Å; V104-S112 VanDerWaalsContact CA-O 3.3Å; V104-S112 WeakPolarHBondContact CA-O 3.46Å; D105-S112 PolarHBondContact N-O 2.94Å; D105-S112 PolarHBondContact O-N 3Å; S112-M125 CarbonylContact C-O 3.45Å; S112-M125 VanDerWaalsContact CA-O 3.31Å; S112-M125 WeakPolarHBondContact CA-O 3.31Å
113V92.8Very high87.7Confident2 Ų248.5 Ų48.51%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-128131.7174.31790000108.5E103 V104 F111 I115 Q124 M125 L148 I150E103-V113 WeakPolarHBondContact O-CA 3.31Å; V104-V113 HydrophobicContact CB-CG2 4.42Å; V104-V113 HydrophobicContact CG1-CG2 4Å; V104-V113 HydrophobicContact CG2-CB 4.45Å; V104-V113 HydrophobicContact CG2-CG1 4.14Å; V104-V113 HydrophobicContact CG2-CG2 3.9Å; F111-V113 HydrophobicContact CD2-CG2 4.03Å; F111-V113 HydrophobicContact CE2-CG2 4.18Å; V113-I115 HydrophobicContact CG1-CD1 3.6Å; V113-I115 HydrophobicContact CG1-CG1 4.05Å; V113-Q124 CarbonylContact O-C 3.56Å; V113-Q124 VanDerWaalsContact O-CA 3.26Å; V113-Q124 WeakPolarHBondContact O-CA 3.26Å; V113-M125 PolarHBondContact N-O 2.83Å; V113-M125 PolarHBondContact O-N 3.43Å; V113-L148 HydrophobicContact CG1-CD2 3.75Å; V113-I150 HydrophobicContact CG2-CD1 3.38Å; V113-I150 HydrophobicContact CG2-CG1 4.25Å
114L90.6Very high87.8Confident46 Ų4649 Ų4924%0.24126%0.257CS..EExtended strand (participates in β ladder)trans-126.8114.6172.6178.461.8000108.8E103 K116 Q124E103-L114 HydrophobicContact CB-CB 4.28Å; E103-L114 PolarHBondContact N-O 2.64Å; E103-L114 PolarHBondContact O-N 2.98Å; L114-K116 VanDerWaalsContact CD2-CE 3.41Å; L114-K116 HydrophobicContact CD2-CG 4.4Å; L114-K116 HydrophobicContact CG-CG 4.15Å; L114-Q124 HydrophobicContact CD1-CB 4.09Å
115I89.6Confident87.7Confident0 Ų048.4 Ų48.40%025%0.253CS..EExtended strand (participates in β ladder)trans-104.1115.2172.3-56.6111.9000108.2I73 L91 I97 N101 V102 V113 L118 N122 H123 L148I73-I115 HydrophobicContact CD1-CD1 3.67Å; L91-I115 HydrophobicContact CD1-CD1 3.43Å; L91-I115 VanDerWaalsContact CD1-CD1 3.43Å; L91-I115 HydrophobicContact CD1-CG1 4.17Å; I97-I115 HydrophobicContact CD1-CG2 3.32Å; N101-I115 WeakPolarHBondContact O-CA 3.24Å; V102-I115 HydrophobicContact CG1-CG1 4.38Å; V102-I115 HydrophobicContact CG2-CG2 4.45Å; V113-I115 HydrophobicContact CG1-CD1 3.6Å; V113-I115 HydrophobicContact CG1-CG1 4.05Å; I115-L118 HydrophobicContact CG2-CB 3.88Å; I115-L118 HydrophobicContact CG2-CD2 4.29Å; I115-N122 CarbonylContact O-C 3.35Å; I115-N122 WeakPolarHBondContact O-CA 3.26Å; I115-H123 HydrophobicContact CB-CB 4.32Å; I115-H123 HydrophobicContact CD1-CB 4.23Å; I115-H123 PolarHBondContact N-O 2.82Å; I115-H123 PolarHBondContact O-N 2.79Å; I115-L148 HydrophobicContact CD1-CD2 4.15Å; I115-L148 HydrophobicContact CG1-CD2 4.26Å
116K85.9Confident87.7Confident70 Ų7047.5 Ų47.530%0.30425%0.251SS..EExtended strand (participates in β ladder)trans-91.8145.1179.2-63.4174.5-174.6164.70110.8N101 E103 L114 L118 N122N101-K116 HydrophobicContact CB-CB 4.25Å; N101-K116 PolarHBondContact O-N 2.86Å; E103-K116 IonicContact OE1-NZ 3.27Å; E103-K116 PolarHBondContact OE1-NZ 2.96Å; E103-K116 WeakPolarHBondContact OE2-CE 3.18Å; E103-K116 IonicContact OE2-NZ 2.68Å; E103-K116 PolarHBondContact OE2-NZ 2.85Å; L114-K116 VanDerWaalsContact CD2-CE 3.41Å; L114-K116 HydrophobicContact CD2-CG 4.4Å; L114-K116 HydrophobicContact CG-CG 4.15Å; K116-L118 VanDerWaalsContact C-N 3.27Å; K116-L118 PolarHBondContact O-N 2.9Å; K116-N122 WeakPolarHBondContact CA-OD1 3.17Å
117D81.3Confident87.4Confident67 Ų6746.5 Ų46.536%0.35825%0.247SC..EExtended strand (participates in β ladder)trans57.432.9168.8-154.313.2000115R57 N119 N122R57-D117 IonicContact NH2-OD2 3.57Å; R57-D117 PolarHBondContact NH2-OD2 2.93Å; D117-N119 PolarHBondContact O-N 3.25Å; D117-N122 PolarHBondContact N-OD1 2.91Å; D117-N122 VanDerWaalsContact N-OD1 3.14Å
118L81.1Confident87.3Confident4 Ų448.8 Ų48.82%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-86.4111.8173.7-174.569.9000109.2L91 V94 I97 I115 K116 G120 K121 H123L91-L118 HydrophobicContact CB-CD2 4.05Å; L91-L118 HydrophobicContact CD2-CD2 4.18Å; V94-L118 HydrophobicContact CB-CD1 4.4Å; I97-L118 HydrophobicContact CD1-CD1 4.28Å; I97-L118 HydrophobicContact CG1-CD1 4.5Å; I97-L118 HydrophobicContact CG2-CD1 4.02Å; I115-L118 HydrophobicContact CG2-CB 3.88Å; I115-L118 HydrophobicContact CG2-CD2 4.29Å; K116-L118 VanDerWaalsContact C-N 3.27Å; K116-L118 PolarHBondContact O-N 2.9Å; L118-G120 PolarHBondContact O-N 2.59Å; L118-K121 PolarHBondContact N-O 2.82Å; L118-K121 PolarHBondContact O-N 2.75Å; L118-K121 VanDerWaalsContact O-O 3.05Å; L118-H123 PolarHBondContact O-CE1 3.5Å
119N77.1Confident87.2Confident104 Ų10448.7 Ų48.756%0.55626%0.259SS*.THydrogen-bonded Turntrans53.735.8-175.7-65.9-22.8000113D117 K121D117-N119 PolarHBondContact O-N 3.25Å; N119-K121 VanDerWaalsContact C-N 3.28Å; N119-K121 PolarHBondContact O-N 2.84Å
120G73.2Confident87.2Confident43 Ų4343.5 Ų43.544%0.44324%0.24SC..THydrogen-bonded Turntrans7315.1-178.400000114.8L118L118-G120 PolarHBondContact O-N 2.59Å
121K83Confident87.1Confident68 Ų6843.1 Ų43.130%0.29624%0.235SC..EExtended strand (participates in β ladder)trans-128.6150.7177.4-38.6179-173.9-133.60110.4Y69 V71 L118 N119 H123Y69-K121 HydrophobicContact CD2-CB 4.41Å; Y69-K121 HydrophobicContact CD2-CD 4.12Å; Y69-K121 HydrophobicContact CD2-CG 4.22Å; Y69-K121 HydrophobicContact CE1-CG 4.06Å; Y69-K121 HydrophobicContact CE2-CB 4.13Å; Y69-K121 HydrophobicContact CE2-CD 3.2Å; Y69-K121 HydrophobicContact CE2-CG 3.47Å; Y69-K121 VanDerWaalsContact CE2-CG 3.47Å; Y69-K121 VanDerWaalsContact CE2-NZ 3.27Å; Y69-K121 VanDerWaalsContact CZ-CD 3.49Å; Y69-K121 WeakPolarHBondContact OH-CD 3.3Å; Y69-K121 WeakPolarHBondContact OH-CE 3.39Å; Y69-K121 WeakPolarHBondContact OH-CG 3.26Å; Y69-K121 PolarHBondContact OH-NZ 2.9Å; V71-K121 HydrophobicContact CG2-CB 4.35Å; V71-K121 HydrophobicContact CG2-CD 3.96Å; L118-K121 PolarHBondContact N-O 2.82Å; L118-K121 PolarHBondContact O-N 2.75Å; L118-K121 VanDerWaalsContact O-O 3.05Å; N119-K121 VanDerWaalsContact C-N 3.28Å; N119-K121 PolarHBondContact O-N 2.84Å; K121-H123 PolarHBondContact O-ND1 3.5Å
122N87Confident86.9Confident37 Ų3745.1 Ų45.120%0.19825%0.245CC..EExtended strand (participates in β ladder)trans-88.3139.1166.8-64.8-19.1000108.3A68 Y69 T70 V71 I115 K116 D117A68-N122 PolarHBondContact O-ND2 2.85Å; Y69-N122 PolarHBondContact O-N 2.78Å; T70-N122 CarbonylContact C-O 3.57Å; T70-N122 WeakPolarHBondContact CA-O 3.34Å; T70-N122 HydrophobicContact CG2-CB 4.25Å; V71-N122 PolarHBondContact N-O 2.89Å; I115-N122 CarbonylContact O-C 3.35Å; I115-N122 WeakPolarHBondContact O-CA 3.26Å; K116-N122 WeakPolarHBondContact CA-OD1 3.17Å; D117-N122 PolarHBondContact N-OD1 2.91Å; D117-N122 VanDerWaalsContact N-OD1 3.14Å
123H89.4Confident86.9Confident29 Ų2944 Ų4413%0.13424%0.236CC..EExtended strand (participates in β ladder)trans-118.8129.1174.5-63.476.8000108.5V71 I73 I115 L118 K121V71-H123 CarbonylContact O-C 3.5Å; V71-H123 VanDerWaalsContact O-CA 3.27Å; V71-H123 WeakPolarHBondContact O-CA 3.46Å; I73-H123 HydrophobicContact CD1-CB 3.92Å; I73-H123 HydrophobicContact CG1-CB 3.88Å; I115-H123 HydrophobicContact CB-CB 4.32Å; I115-H123 HydrophobicContact CD1-CB 4.23Å; I115-H123 PolarHBondContact N-O 2.82Å; I115-H123 PolarHBondContact O-N 2.79Å; L118-H123 PolarHBondContact O-CE1 3.5Å; K121-H123 PolarHBondContact O-ND1 3.5Å
124Q91.1Very high86.9Confident83 Ų8343.9 Ų43.939%0.38824%0.236SC..EExtended strand (participates in β ladder)trans-129.5145.7179.479.6-178.6-15.800112.2T70 V71 K72 I73 V113 L114T70-Q124 HydrophobicContact CG2-CB 3.86Å; T70-Q124 HydrophobicContact CG2-CG 3.55Å; V71-Q124 PolarHBondContact O-N 3.02Å; K72-Q124 CarbonylContact C-O 3.56Å; K72-Q124 WeakPolarHBondContact CA-O 3.43Å; I73-Q124 PolarHBondContact N-O 3.23Å; V113-Q124 CarbonylContact O-C 3.56Å; V113-Q124 VanDerWaalsContact O-CA 3.26Å; V113-Q124 WeakPolarHBondContact O-CA 3.26Å; L114-Q124 HydrophobicContact CD1-CB 4.09Å
125M90.2Very high87Confident4 Ų444.2 Ų44.22%0.0224%0.238CC..EExtended strand (participates in β ladder)trans-137.1134.5171.6-174.5169.3167.600109.3I73 Y76 I87 L89 F111 S112 V113 V127I73-M125 HydrophobicContact CB-CB 4.12Å; I73-M125 HydrophobicContact CD1-CB 4.19Å; I73-M125 HydrophobicContact CG2-SD 4.44Å; Y76-M125 HydrophobicContact CD1-CE 3.55Å; Y76-M125 HydrophobicContact CD1-SD 4.36Å; Y76-M125 HydrophobicContact CD2-CE 3.97Å; Y76-M125 HydrophobicContact CE1-CE 3.86Å; Y76-M125 HydrophobicContact CE2-CE 4.25Å; Y76-M125 HydrophobicContact CG-CE 3.62Å; Y76-M125 HydrophobicContact CG-SD 4.45Å; I87-M125 HydrophobicContact CG2-CE 4.26Å; L89-M125 HydrophobicContact CD1-SD 4.08Å; L89-M125 HydrophobicContact CD2-CE 4.27Å; L89-M125 HydrophobicContact CD2-SD 3.4Å; L89-M125 WeakPolarHBondContact CD2-SD 3.37Å; L89-M125 HydrophobicContact CG-SD 4.38Å; F111-M125 HydrophobicContact CE2-CE 4.49Å; F111-M125 HydrophobicContact CZ-CE 4.05Å; S112-M125 CarbonylContact C-O 3.45Å; S112-M125 VanDerWaalsContact CA-O 3.31Å; S112-M125 WeakPolarHBondContact CA-O 3.31Å; V113-M125 PolarHBondContact N-O 2.83Å; V113-M125 PolarHBondContact O-N 3.43Å; M125-V127 HydrophobicContact CE-CG2 3.34Å; M125-V127 HydrophobicContact CG-CG2 4.33Å
126T90.9Very high87.1Confident74 Ų7448.9 Ų48.945%0.45426%0.26SS..EExtended strand (participates in β ladder)trans-131.9124.7171.6-50.60000107.9L128T126-L128 HydrophobicContact CG2-CD2 3.77Å; T126-L128 HydrophobicContact CG2-CG 4.08Å
127V87.8Confident87.3Confident11 Ų1154.8 Ų54.87%0.06729%0.285CS..EExtended strand (participates in β ladder)trans-113.8112.8173.6179.90000107.8S110 F111 M125 L130 L163 T164S110-V127 WeakPolarHBondContact CA-O 3.24Å; S110-V127 WeakPolarHBondContact CB-O 3.43Å; F111-V127 HydrophobicContact CD1-CB 3.95Å; F111-V127 HydrophobicContact CD1-CG2 4.49Å; F111-V127 HydrophobicContact CE1-CB 3.49Å; F111-V127 VanDerWaalsContact CE1-CB 3.49Å; F111-V127 HydrophobicContact CE1-CG1 4.04Å; F111-V127 HydrophobicContact CE1-CG2 3.64Å; F111-V127 HydrophobicContact CE2-CG2 4.25Å; F111-V127 HydrophobicContact CZ-CB 3.86Å; F111-V127 HydrophobicContact CZ-CG2 3.48Å; F111-V127 VanDerWaalsContact CZ-CG2 3.48Å; F111-V127 PolarHBondContact N-O 3.44Å; F111-V127 VanDerWaalsContact N-O 3.1Å; F111-V127 PolarHBondContact O-N 2.84Å; M125-V127 HydrophobicContact CE-CG2 3.34Å; M125-V127 HydrophobicContact CG-CG2 4.33Å; V127-L130 HydrophobicContact CG1-CD2 3.65Å; V127-L163 HydrophobicContact CG1-CD2 4.35Å; V127-L163 HydrophobicContact CG1-CG 4.49Å; V127-T164 HydrophobicContact CG1-CG2 3.7Å
128L88Confident87.8Confident103 Ų10355.7 Ų55.754%0.53929%0.29SS..  trans-98.3158.5176.7-57.5177.8000110.3T126 L130T126-L128 HydrophobicContact CG2-CD2 3.77Å; T126-L128 HydrophobicContact CG2-CG 4.08Å; L128-L130 PolarHBondContact O-N 3.42Å
129N88.1Confident88.4Confident100 Ų10055.9 Ų55.954%0.53529%0.292SS..SBendtrans5651.4173.1-56.9-38.7000113.4R109 T164 A165R109-N129 PolarHBondContact O-N 3Å; N129-T164 CarbonylContact O-C 3.55Å; N129-T164 VanDerWaalsContact O-CA 3.31Å; N129-T164 WeakPolarHBondContact O-CA 3.28Å; N129-A165 PolarHBondContact O-N 3.39Å
130L89.5Confident89.2Confident1 Ų154.6 Ų54.61%0.00528%0.28CS..BIsolated β-bridgetrans-53.9144.9169.5-66174.1000110.4R109 F111 V127 L128 Q132 I134 L152 W160 L163R109-L130 WeakPolarHBondContact O-CB 3.18Å; R109-L130 VanDerWaalsContact O-CG 3.32Å; R109-L130 WeakPolarHBondContact O-CG 3.47Å; R109-L130 PolarHBondContact O-N 3.47Å; F111-L130 HydrophobicContact CD1-CD1 4.31Å; F111-L130 HydrophobicContact CD1-CD2 4.29Å; F111-L130 HydrophobicContact CE1-CD2 4.25Å; V127-L130 HydrophobicContact CG1-CD2 3.65Å; L128-L130 PolarHBondContact O-N 3.42Å; L130-Q132 VanDerWaalsContact C-N 3.27Å; L130-Q132 PolarHBondContact O-N 2.83Å; L130-I134 HydrophobicContact CD1-CD1 3.98Å; L130-I134 HydrophobicContact CD1-CG1 4.26Å; L130-I134 HydrophobicContact CD1-CG2 4.15Å; L130-L152 HydrophobicContact CD1-CD1 4.17Å; L130-W160 HydrophobicContact CB-CH2 3.75Å; L130-W160 HydrophobicContact CB-CZ3 3.96Å; L130-W160 HydrophobicContact CD1-CH2 4.27Å; L130-W160 HydrophobicContact CD2-CH2 4.29Å; L130-W160 HydrophobicContact CD2-CZ3 3.99Å; L130-W160 HydrophobicContact CG-CH2 4.32Å; L130-W160 HydrophobicContact CG-CZ3 4.45Å; L130-L163 HydrophobicContact CD2-CD1 4.14Å; L130-L163 HydrophobicContact CD2-CG 4.35Å
131L87.4Confident90.1Very high21 Ų2156.6 Ų56.611%0.1128%0.276CS..SBendtrans-57.6-40.5-174.2-178.865.4000112.7R109 W160 C162 L163 K168R109-L131 PolarHBondContact NH1-O 2.91Å; L131-W160 HydrophobicContact CB-CD2 4.18Å; L131-W160 HydrophobicContact CB-CE3 3.92Å; L131-W160 HydrophobicContact CB-CZ3 4.31Å; L131-W160 HydrophobicContact CD2-CB 3.96Å; L131-W160 HydrophobicContact CD2-CG 4.19Å; L131-C162 WeakPolarHBondContact CD2-O 3.32Å; L131-L163 PolarHBondContact N-O 3.33Å; L131-L163 VanDerWaalsContact N-O 3.11Å; L131-K168 HydrophobicContact CD1-CB 4.43Å; L131-K168 HydrophobicContact CD1-CD 3.99Å
132Q89.1Confident90.5Very high45 Ų4558 Ų5821%0.2128%0.283CS..SBendtrans-132.6159.3178.3-64-61.9-39.700110.1L130 W160L130-Q132 VanDerWaalsContact C-N 3.27Å; L130-Q132 PolarHBondContact O-N 2.83Å; Q132-W160 HydrophobicContact CB-CZ2 3.7Å; Q132-W160 WeakPolarHBondContact O-CH2 3.45Å; Q132-W160 VanDerWaalsContact O-CZ2 3.25Å; Q132-W160 WeakPolarHBondContact O-CZ2 3.44Å
133P91.1Very high90.7Very high11 Ų1159.3 Ų59.37%0.07129%0.292CS..  trans-72.2149.9179.530.2-33.5000112.1E108 R109 Q155E108-P133 HydrophobicContact CG-CB 3.82Å; E108-P133 CarbonylContact O-C 3.56Å; E108-P133 WeakPolarHBondContact O-CA 3.27Å; R109-P133 HydrophobicContact CG-CB 4.17Å; P133-Q155 HydrophobicContact CB-CG 4.47Å; P133-Q155 HydrophobicContact CG-CB 4.4Å; P133-Q155 PolarHBondContact O-N 3.26Å
134I93.5Very high90.7Very high0 Ų062.5 Ų62.50%031%0.305CS..EExtended strand (participates in β ladder)trans-118.3154.5-179.262.9164.7000110.7F106 T107 E108 L130 L152 K153 Q155 W160F106-I134 HydrophobicContact CD1-CD1 4.47Å; T107-I134 WeakPolarHBondContact O-CD1 3.4Å; T107-I134 VanDerWaalsContact O-CG1 3.29Å; T107-I134 WeakPolarHBondContact O-CG1 3.25Å; E108-I134 WeakPolarHBondContact O-CG1 3.35Å; E108-I134 PolarHBondContact O-N 3.38Å; L130-I134 HydrophobicContact CD1-CD1 3.98Å; L130-I134 HydrophobicContact CD1-CG1 4.26Å; L130-I134 HydrophobicContact CD1-CG2 4.15Å; I134-L152 HydrophobicContact CB-CB 4.48Å; I134-L152 HydrophobicContact CD1-CB 4.14Å; I134-L152 HydrophobicContact CD1-CD1 4.43Å; I134-L152 HydrophobicContact CD1-CD2 3.79Å; I134-L152 HydrophobicContact CD1-CG 4.33Å; I134-L152 HydrophobicContact CG2-CB 4.01Å; I134-K153 CarbonylContact C-O 3.56Å; I134-K153 WeakPolarHBondContact CA-O 2.84Å; I134-K153 VanDerWaalsContact CB-O 3.24Å; I134-K153 WeakPolarHBondContact CB-O 3.37Å; I134-Q155 PolarHBondContact O-NE2 3.48Å; I134-W160 HydrophobicContact CG2-CH2 4.01Å; I134-W160 HydrophobicContact CG2-CZ2 4.04Å
135D92.9Very high90.7Very high54 Ų5463.7 Ų63.729%0.28932%0.318SS..EExtended strand (participates in β ladder)trans-87.3113.5173.3-170.4-46.1000109K137 D138 S139 K153 Q155D135-K137 VanDerWaalsContact C-N 3.3Å; D135-K137 PolarHBondContact O-N 2.81Å; D135-K137 WeakPolarHBondContact OD1-CB 3.13Å; D135-K137 PolarHBondContact OD1-N 3.16Å; D135-D138 HydrophobicContact CB-CB 4.24Å; D135-D138 PolarHBondContact OD1-N 2.63Å; D135-D138 VanDerWaalsContact OD1-N 3.16Å; D135-S139 VanDerWaalsContact O-CB 3.26Å; D135-S139 WeakPolarHBondContact O-CB 3.45Å; D135-S139 PolarHBondContact O-N 3.32Å; D135-S139 VanDerWaalsContact O-N 3.11Å; D135-S139 PolarHBondContact O-OG 2.87Å; D135-K153 HydrophobicContact CB-CB 4.04Å; D135-K153 HydrophobicContact CB-CG 3.9Å; D135-K153 PolarHBondContact N-O 2.82Å; D135-Q155 HydrophobicContact CB-CG 4.35Å
136E91Very high90.6Very high97 Ų9766.5 Ų66.545%0.45333%0.333SS..EExtended strand (participates in β ladder)trans-64.5-33.5-177.5-61.3171.3-167.800112.7F106 T107 E108F106-E136 HydrophobicContact CB-CB 4.13Å; F106-E136 HydrophobicContact CB-CG 4.23Å; T107-E136 WeakPolarHBondContact CA-OE1 3.49Å; E108-E136 PolarHBondContact N-OE1 3.01Å
137K90.7Very high90.5Very high194 Ų19464.9 Ų64.984%0.84332%0.321SS*.EExtended strand (participates in β ladder)trans-78.6-37.6-173.7-60.1-178.3-178.8177.10111.7D135D135-K137 VanDerWaalsContact C-N 3.3Å; D135-K137 PolarHBondContact O-N 2.81Å; D135-K137 WeakPolarHBondContact OD1-CB 3.13Å; D135-K137 PolarHBondContact OD1-N 3.16Å
138D92.1Very high90.7Very high86 Ų8664.3 Ų64.346%0.4632%0.318SS..EExtended strand (participates in β ladder)trans-88.3-5.9178.3-83.1-7.6000113.1D135 K153D135-D138 HydrophobicContact CB-CB 4.24Å; D135-D138 PolarHBondContact OD1-N 2.63Å; D135-D138 VanDerWaalsContact OD1-N 3.16Å; D138-K153 HydrophobicContact CB-CB 3.69Å; D138-K153 HydrophobicContact CB-CD 4.19Å; D138-K153 HydrophobicContact CB-CG 3.62Å
139S93.3Very high91Very high9 Ų959.8 Ų59.86%0.06329%0.294CS..EExtended strand (participates in β ladder)trans-81.7140.1172.9-65.90000110.7F106 D135 M151 L152 K153F106-S139 WeakPolarHBondContact CE2-O 3.46Å; D135-S139 VanDerWaalsContact O-CB 3.26Å; D135-S139 WeakPolarHBondContact O-CB 3.45Å; D135-S139 PolarHBondContact O-N 3.32Å; D135-S139 VanDerWaalsContact O-N 3.11Å; D135-S139 PolarHBondContact O-OG 2.87Å; S139-M151 VanDerWaalsContact CA-O 3.31Å; S139-M151 WeakPolarHBondContact CA-O 3.38Å; S139-L152 WeakPolarHBondContact OG-CA 3.33Å; S139-K153 PolarHBondContact OG-N 3.12Å
140Y93.1Very high91.3Very high77 Ų7755 Ų5530%0.30227%0.269SS..EExtended strand (participates in β ladder)trans-151.1164-176.463.2-99.3000112.3F84 K142 M151F84-Y140 HydrophobicContact CE1-CE1 4.24Å; Y140-K142 HydrophobicContact CD2-CD 4.41Å; Y140-K142 HydrophobicContact CD2-CG 4.01Å; Y140-K142 HydrophobicContact CE2-CD 3.68Å; Y140-K142 HydrophobicContact CE2-CG 3.79Å; Y140-K142 PolarHBondContact OH-NZ 2.78Å; Y140-M151 HydrophobicContact CD2-CB 4.23Å; Y140-M151 HydrophobicContact CE1-CB 4.32Å; Y140-M151 HydrophobicContact CE2-CB 3.81Å; Y140-M151 HydrophobicContact CE2-CG 3.87Å; Y140-M151 HydrophobicContact CE2-SD 3.49Å; Y140-M151 WeakPolarHBondContact CE2-SD 3.26Å; Y140-M151 PolarHBondContact N-O 2.75Å; Y140-M151 PolarHBondContact O-N 2.88Å; Y140-M151 VanDerWaalsContact OH-CE 3.26Å; Y140-M151 WeakPolarHBondContact OH-CE 3.27Å; Y140-M151 PolarHBondContact OH-SD 3.21Å
141K93.2Very high91.5Very high84 Ų8455.9 Ų55.937%0.36527%0.273SS..EExtended strand (participates in β ladder)trans-106.7149.6172.575.8-95.9-163.71610112.2V102 V104 L148 L149V102-K141 WeakPolarHBondContact O-CE 3.29Å; V102-K141 PolarHBondContact O-NZ 2.76Å; V102-K141 VanDerWaalsContact O-NZ 3.08Å; V104-K141 HydrophobicContact CB-CD 4.01Å; V104-K141 HydrophobicContact CG2-CB 4.02Å; V104-K141 HydrophobicContact CG2-CD 3.76Å; V104-K141 HydrophobicContact CG2-CG 4.04Å; K141-L148 HydrophobicContact CB-CD1 4.39Å; K141-L149 CarbonylContact C-O 3.51Å; K141-L149 WeakPolarHBondContact CA-O 3.31Å
142K91.9Very high91.8Very high99 Ų9954.9 Ų54.943%0.4327%0.267SS..EExtended strand (participates in β ladder)trans-131116.4172.4-78.9-179.9175.4167.50109Y140 L149 M151Y140-K142 HydrophobicContact CD2-CD 4.41Å; Y140-K142 HydrophobicContact CD2-CG 4.01Å; Y140-K142 HydrophobicContact CE2-CD 3.68Å; Y140-K142 HydrophobicContact CE2-CG 3.79Å; Y140-K142 PolarHBondContact OH-NZ 2.78Å; K142-L149 HydrophobicContact CB-CB 4.21Å; K142-L149 PolarHBondContact N-O 2.83Å; K142-L149 PolarHBondContact O-N 2.86Å; K142-M151 HydrophobicContact CD-SD 4.44Å
143V90.2Very high92Very high64 Ų6455 Ų5539%0.38827%0.267SS..EExtended strand (participates in β ladder)trans-81.1126.1172.1-172.70000108V94 L148V94-V143 HydrophobicContact CG1-CG1 4.16Å; V94-V143 HydrophobicContact CG2-CG1 4.46Å; V143-L148 HydrophobicContact CG2-CD1 3.89Å
144K89.9Confident92.1Very high96 Ų9655.1 Ų55.142%0.41727%0.267SS..EExtended strand (participates in β ladder)trans-119.8171.6173.2-67.9179.6174.1-174.80109.1D146 M147K144-D146 PolarHBondContact O-N 2.98Å; K144-D146 VanDerWaalsContact O-N 3.13Å; K144-M147 CarbonylContact C-O 3.52Å; K144-M147 WeakPolarHBondContact CA-O 3.35Å; K144-M147 HydrophobicContact CB-CB 4.43Å; K144-M147 HydrophobicContact CB-CE 4.49Å; K144-M147 WeakPolarHBondContact CB-O 3.04Å; K144-M147 HydrophobicContact CD-CE 3.54Å; K144-M147 PolarHBondContact N-O 3.01Å; K144-M147 PolarHBondContact O-N 3.03Å; K144-M147 VanDerWaalsContact O-O 3.08Å
145T90.3Very high92Very high107 Ų10760.1 Ų60.166%0.65629%0.29SS*.THydrogen-bonded Turntrans-57119.2171.9-49.60000109.7M147T145-M147 PolarHBondContact O-N 2.8Å
146D88.5Confident91.7Very high64 Ų6459.7 Ų59.734%0.34229%0.29SS..THydrogen-bonded Turntrans54.117.2179.5-59.1-22.1000116.2L91 D93 H95 K144L91-D146 CarbonylContact C-O 3.46Å; L91-D146 PolarHBondContact N-O 3.33Å; L91-D146 CarbonylContact O-C 3.52Å; L91-D146 WeakPolarHBondContact O-CA 3.27Å; D93-D146 PolarHBondContact N-OD1 3.1Å; H95-D146 IonicContact CE1-OD1 3.89Å; H95-D146 PolarHBondContact CE1-OD1 2.7Å; H95-D146 IonicContact ND1-OD1 3.68Å; H95-D146 PolarHBondContact ND1-OD1 2.57Å; H95-D146 VanDerWaalsContact ND1-OD1 3.16Å; K144-D146 PolarHBondContact O-N 2.98Å; K144-D146 VanDerWaalsContact O-N 3.13Å
147M89.1Confident91.4Very high39 Ų3960.6 Ų60.619%0.19230%0.302CS..EExtended strand (participates in β ladder)trans-148.9133.2-176.1-171.4176.866.600111.5Y88 L89 K144 T145Y88-M147 HydrophobicContact CD1-CE 4.06Å; Y88-M147 HydrophobicContact CD1-SD 3.76Å; Y88-M147 HydrophobicContact CG-SD 4.49Å; L89-M147 CarbonylContact O-C 3.59Å; L89-M147 VanDerWaalsContact O-CA 3.31Å; L89-M147 WeakPolarHBondContact O-CA 3.22Å; K144-M147 CarbonylContact C-O 3.52Å; K144-M147 WeakPolarHBondContact CA-O 3.35Å; K144-M147 HydrophobicContact CB-CB 4.43Å; K144-M147 HydrophobicContact CB-CE 4.49Å; K144-M147 WeakPolarHBondContact CB-O 3.04Å; K144-M147 HydrophobicContact CD-CE 3.54Å; K144-M147 PolarHBondContact N-O 3.01Å; K144-M147 PolarHBondContact O-N 3.03Å; K144-M147 VanDerWaalsContact O-O 3.08Å; T145-M147 PolarHBondContact O-N 2.8Å
148L91.8Very high91.1Very high0 Ų057.4 Ų57.40%029%0.288CS..EExtended strand (participates in β ladder)trans-101.8120.3169.9-178.564.5000109.4L89 L91 V102 V113 I115 K141 V143 I150L89-L148 HydrophobicContact CB-CB 4.25Å; L89-L148 HydrophobicContact CD1-CD2 4.24Å; L89-L148 PolarHBondContact N-O 2.89Å; L89-L148 PolarHBondContact O-N 2.94Å; L91-L148 HydrophobicContact CD1-CB 4.04Å; L91-L148 HydrophobicContact CD1-CD2 4.38Å; V102-L148 HydrophobicContact CG1-CD1 4.03Å; V102-L148 HydrophobicContact CG1-CD2 3.88Å; V113-L148 HydrophobicContact CG1-CD2 3.75Å; I115-L148 HydrophobicContact CD1-CD2 4.15Å; I115-L148 HydrophobicContact CG1-CD2 4.26Å; K141-L148 HydrophobicContact CB-CD1 4.39Å; V143-L148 HydrophobicContact CG2-CD1 3.89Å; L148-I150 HydrophobicContact CG-CG1 4.43Å
149L93.5Very high90.8Very high8 Ų861.6 Ų61.64%0.04230%0.302CS..EExtended strand (participates in β ladder)trans-102118.6177177.162.5000109.6K86 I87 Y88 K141 K142 M151K86-L149 HydrophobicContact CB-CD1 3.9Å; I87-L149 WeakPolarHBondContact O-CA 3.21Å; Y88-L149 HydrophobicContact CD1-CD1 3.68Å; Y88-L149 HydrophobicContact CE1-CD1 3.49Å; Y88-L149 VanDerWaalsContact CE1-CD1 3.49Å; Y88-L149 HydrophobicContact CG-CD1 4.36Å; K141-L149 CarbonylContact C-O 3.51Å; K141-L149 WeakPolarHBondContact CA-O 3.31Å; K142-L149 HydrophobicContact CB-CB 4.21Å; K142-L149 PolarHBondContact N-O 2.83Å; K142-L149 PolarHBondContact O-N 2.86Å; L149-M151 HydrophobicContact CD1-CG 4.46Å; L149-M151 HydrophobicContact CD2-CG 4.23Å; L149-M151 HydrophobicContact CD2-SD 4.07Å; L149-M151 HydrophobicContact CG-CG 3.99Å; L149-M151 HydrophobicContact CG-SD 4.49Å
150I94.6Very high90.6Very high0 Ų061.2 Ų61.20%030%0.299CS..EExtended strand (participates in β ladder)trans-105123.4175.5-52.6161.7000107.5K86 I87 L89 F106 F111 V113 L148 L152K86-I150 CarbonylContact C-O 3.53Å; K86-I150 WeakPolarHBondContact CA-O 3.26Å; I87-I150 HydrophobicContact CB-CB 4.13Å; I87-I150 HydrophobicContact CB-CD1 4.31Å; I87-I150 HydrophobicContact CG1-CB 4.48Å; I87-I150 PolarHBondContact N-O 3.49Å; I87-I150 PolarHBondContact O-N 2.91Å; L89-I150 HydrophobicContact CD1-CD1 3.71Å; L89-I150 HydrophobicContact CG-CD1 4.33Å; F106-I150 HydrophobicContact CE1-CG2 3.62Å; F106-I150 HydrophobicContact CZ-CG2 4.05Å; F111-I150 HydrophobicContact CD2-CD1 4.17Å; F111-I150 HydrophobicContact CD2-CG2 4.46Å; F111-I150 HydrophobicContact CE2-CD1 3.61Å; F111-I150 HydrophobicContact CZ-CD1 4.43Å; V113-I150 HydrophobicContact CG2-CD1 3.38Å; V113-I150 HydrophobicContact CG2-CG1 4.25Å; L148-I150 HydrophobicContact CG-CG1 4.43Å; I150-L152 HydrophobicContact CG2-CD2 3.77Å; I150-L152 HydrophobicContact CG2-CG 4.39Å
151M93.8Very high90.3Very high18 Ų1864.3 Ų64.39%0.08932%0.316CS..EExtended strand (participates in β ladder)trans-111110.2179.8-64.3-167.460.500109.2F84 K86 S139 Y140 K142 L149F84-M151 HydrophobicContact CB-CE 4.18Å; F84-M151 HydrophobicContact CD1-CB 4.27Å; F84-M151 HydrophobicContact CD1-CE 4.22Å; F84-M151 HydrophobicContact CD2-CE 4.3Å; F84-M151 HydrophobicContact CG-CE 3.99Å; K86-M151 HydrophobicContact CD-CE 4.31Å; K86-M151 HydrophobicContact CG-CE 4.32Å; K86-M151 HydrophobicContact CG-CG 4.37Å; S139-M151 VanDerWaalsContact CA-O 3.31Å; S139-M151 WeakPolarHBondContact CA-O 3.38Å; Y140-M151 HydrophobicContact CD2-CB 4.23Å; Y140-M151 HydrophobicContact CE1-CB 4.32Å; Y140-M151 HydrophobicContact CE2-CB 3.81Å; Y140-M151 HydrophobicContact CE2-CG 3.87Å; Y140-M151 HydrophobicContact CE2-SD 3.49Å; Y140-M151 WeakPolarHBondContact CE2-SD 3.26Å; Y140-M151 PolarHBondContact N-O 2.75Å; Y140-M151 PolarHBondContact O-N 2.88Å; Y140-M151 VanDerWaalsContact OH-CE 3.26Å; Y140-M151 WeakPolarHBondContact OH-CE 3.27Å; Y140-M151 PolarHBondContact OH-SD 3.21Å; K142-M151 HydrophobicContact CD-SD 4.44Å; L149-M151 HydrophobicContact CD1-CG 4.46Å; L149-M151 HydrophobicContact CD2-CG 4.23Å; L149-M151 HydrophobicContact CD2-SD 4.07Å; L149-M151 HydrophobicContact CG-CG 3.99Å; L149-M151 HydrophobicContact CG-SD 4.49Å
152L93.6Very high89.9Confident0 Ų060.5 Ų60.50%030%0.3CS..EExtended strand (participates in β ladder)trans-95.7117.7178.1-49175000108.6F84 V85 I87 F106 F111 L130 I134 S139 I150 K154F84-L152 CarbonylContact C-O 3.53Å; F84-L152 VanDerWaalsContact CA-O 3.23Å; F84-L152 WeakPolarHBondContact CA-O 3.35Å; V85-L152 HydrophobicContact CB-CB 4.29Å; V85-L152 PolarHBondContact N-O 3.16Å; V85-L152 PolarHBondContact O-N 2.84Å; I87-L152 HydrophobicContact CG1-CD1 4.33Å; F106-L152 HydrophobicContact CD1-CD2 3.56Å; F106-L152 HydrophobicContact CE1-CD2 3.41Å; F106-L152 VanDerWaalsContact CE1-CD2 3.41Å; F111-L152 HydrophobicContact CB-CD2 4.28Å; F111-L152 HydrophobicContact CD1-CD1 3.71Å; F111-L152 HydrophobicContact CD1-CD2 4.15Å; F111-L152 HydrophobicContact CE1-CD1 3.85Å; F111-L152 HydrophobicContact CG-CD2 4.2Å; L130-L152 HydrophobicContact CD1-CD1 4.17Å; I134-L152 HydrophobicContact CB-CB 4.48Å; I134-L152 HydrophobicContact CD1-CB 4.14Å; I134-L152 HydrophobicContact CD1-CD1 4.43Å; I134-L152 HydrophobicContact CD1-CD2 3.79Å; I134-L152 HydrophobicContact CD1-CG 4.33Å; I134-L152 HydrophobicContact CG2-CB 4.01Å; S139-L152 WeakPolarHBondContact OG-CA 3.33Å; I150-L152 HydrophobicContact CG2-CD2 3.77Å; I150-L152 HydrophobicContact CG2-CG 4.39Å; L152-K154 PolarHBondContact O-N 2.69Å
153K93.8Very high89.6Confident47 Ų4755.8 Ų55.820%0.20428%0.28CS..EExtended strand (participates in β ladder)trans-73.1123.8176.2179.575.1178.1-157.30109.2F84 I134 D135 D138 S139F84-K153 HydrophobicContact CD1-CB 4.11Å; F84-K153 HydrophobicContact CD1-CD 4.07Å; F84-K153 HydrophobicContact CE1-CB 3.8Å; F84-K153 HydrophobicContact CE1-CD 3.48Å; F84-K153 VanDerWaalsContact CE1-CD 3.48Å; F84-K153 HydrophobicContact CE1-CG 4.26Å; F84-K153 HydrophobicContact CE2-CD 4.13Å; F84-K153 HydrophobicContact CZ-CD 3.51Å; I134-K153 CarbonylContact C-O 3.56Å; I134-K153 WeakPolarHBondContact CA-O 2.84Å; I134-K153 VanDerWaalsContact CB-O 3.24Å; I134-K153 WeakPolarHBondContact CB-O 3.37Å; D135-K153 HydrophobicContact CB-CB 4.04Å; D135-K153 HydrophobicContact CB-CG 3.9Å; D135-K153 PolarHBondContact N-O 2.82Å; D138-K153 HydrophobicContact CB-CB 3.69Å; D138-K153 HydrophobicContact CB-CD 4.19Å; D138-K153 HydrophobicContact CB-CG 3.62Å; S139-K153 PolarHBondContact OG-N 3.12Å
154K93Very high89.3Confident15 Ų1553.6 Ų53.67%0.06527%0.267CS..EExtended strand (participates in β ladder)trans-73.8134.5175-60.3175.9173.3-177.80109.9S81 K83 V85 L152 T156 K158S81-K154 WeakPolarHBondContact O-CE 3.37Å; S81-K154 PolarHBondContact O-NZ 3.11Å; K83-K154 PolarHBondContact O-N 3.13Å; V85-K154 HydrophobicContact CG2-CD 4.31Å; V85-K154 HydrophobicContact CG2-CG 3.99Å; L152-K154 PolarHBondContact O-N 2.69Å; K154-T156 VanDerWaalsContact C-N 3.31Å; K154-T156 VanDerWaalsContact CB-O 3.27Å; K154-T156 WeakPolarHBondContact CB-O 3.32Å; K154-K158 PolarHBondContact NZ-O 3.48Å
155Q91.7Very high88.7Confident104 Ų10450.5 Ų50.549%0.48626%0.259SS..SBendtrans-73.6-28.3167.7-67.2-173.91500112P133 I134 D135P133-Q155 HydrophobicContact CB-CG 4.47Å; P133-Q155 HydrophobicContact CG-CB 4.4Å; P133-Q155 PolarHBondContact O-N 3.26Å; I134-Q155 PolarHBondContact O-NE2 3.48Å; D135-Q155 HydrophobicContact CB-CG 4.35Å
156T86.3Confident88Confident46 Ų4649.1 Ų49.128%0.28225%0.25SS..SBendtrans-119.7144.3-179.662.40000110.7K154 K158K154-T156 VanDerWaalsContact C-N 3.31Å; K154-T156 VanDerWaalsContact CB-O 3.27Å; K154-T156 WeakPolarHBondContact CB-O 3.32Å; T156-K158 PolarHBondContact O-N 2.85Å
157T84.3Confident87.3Confident115 Ų11549.3 Ų49.371%0.70625%0.249SC*.  trans-72.612.4175.237.20000113.6
158K84.9Confident86.5Confident127 Ų12750.8 Ų50.855%0.55225%0.254SS*.PPolyproline II helixtrans-67.7143.4178.3-68.4-175.8179.6179.30111K154 T156K154-K158 PolarHBondContact NZ-O 3.48Å; T156-K158 PolarHBondContact O-N 2.85Å
159K86.9Confident85.3Confident174 Ų17456.3 Ų56.376%0.75728%0.28SS*.PPolyproline II helixtrans-77.3135.8171.6-169.4176.6179.2-178.70109.5
160W88.8Confident83.7Confident2 Ų258.9 Ų58.91%0.00830%0.299CS..PPolyproline II helixtrans-92.8117.8178.6-69.634.6000109.6W78 Q80 V85 L130 L131 Q132 I134 C162 L163W78-W160 HydrophobicContact CH2-CB 4.27Å; W78-W160 HydrophobicContact CZ3-CB 4.22Å; Q80-W160 PolarHBondContact NE2-O 3.29Å; V85-W160 HydrophobicContact CG2-CD2 3.7Å; V85-W160 HydrophobicContact CG2-CE3 3.94Å; V85-W160 HydrophobicContact CG2-CG 4.2Å; V85-W160 HydrophobicContact CG2-CH2 4.14Å; V85-W160 HydrophobicContact CG2-CZ2 3.93Å; V85-W160 HydrophobicContact CG2-CZ3 4.16Å; L130-W160 HydrophobicContact CB-CH2 3.75Å; L130-W160 HydrophobicContact CB-CZ3 3.96Å; L130-W160 HydrophobicContact CD1-CH2 4.27Å; L130-W160 HydrophobicContact CD2-CH2 4.29Å; L130-W160 HydrophobicContact CD2-CZ3 3.99Å; L130-W160 HydrophobicContact CG-CH2 4.32Å; L130-W160 HydrophobicContact CG-CZ3 4.45Å; L131-W160 HydrophobicContact CB-CD2 4.18Å; L131-W160 HydrophobicContact CB-CE3 3.92Å; L131-W160 HydrophobicContact CB-CZ3 4.31Å; L131-W160 HydrophobicContact CD2-CB 3.96Å; L131-W160 HydrophobicContact CD2-CG 4.19Å; Q132-W160 HydrophobicContact CB-CZ2 3.7Å; Q132-W160 WeakPolarHBondContact O-CH2 3.45Å; Q132-W160 VanDerWaalsContact O-CZ2 3.25Å; Q132-W160 WeakPolarHBondContact O-CZ2 3.44Å; I134-W160 HydrophobicContact CG2-CH2 4.01Å; I134-W160 HydrophobicContact CG2-CZ2 4.04Å; W160-C162 VanDerWaalsContact C-N 3.32Å; W160-L163 HydrophobicContact CE3-CD1 4.39Å; W160-L163 HydrophobicContact CZ3-CD1 4.13Å; W160-L163 VanDerWaalsContact CZ3-O 3.32Å; W160-L163 WeakPolarHBondContact CZ3-O 3.34Å
161E85.5Confident82.1Confident141 Ų14165.1 Ų65.166%0.65933%0.326SS*.SBendtrans-77.3-25.8178.3-62.5176.7153.900112.1K168E161-K168 IonicContact OE2-NZ 3.84Å
162C85.9Confident80.5Confident4 Ų469.5 Ų69.53%0.02735%0.346CS..SBendtrans-147.4166.8177.553.80000109.1L131 W160 T164 E167 K168L131-C162 WeakPolarHBondContact CD2-O 3.32Å; W160-C162 VanDerWaalsContact C-N 3.32Å; C162-T164 PolarHBondContact SG-O 3.03Å; C162-E167 HydrophobicContact CB-CB 3.85Å; C162-K168 VanDerWaalsContact SG-CB 3.52Å
163L84.7Confident78.8Confident0 Ų077.9 Ų77.90%038%0.383CS..SBendtrans-77.4-41.6-177.7-177.462.7000110.7Y76 W78 V85 I87 V127 L130 L131 W160 E167Y76-L163 HydrophobicContact CD2-CD2 4.48Å; Y76-L163 HydrophobicContact CE2-CD2 3.52Å; W78-L163 HydrophobicContact CD2-CB 4.07Å; W78-L163 HydrophobicContact CD2-CD1 4.16Å; W78-L163 HydrophobicContact CE3-CD1 4.2Å; W78-L163 HydrophobicContact CG-CB 4.38Å; W78-L163 HydrophobicContact CG-CD1 4.35Å; W78-L163 HydrophobicContact CG-CD2 4.3Å; W78-L163 HydrophobicContact CZ2-CB 4.14Å; V85-L163 HydrophobicContact CG1-CD1 4.02Å; I87-L163 HydrophobicContact CD1-CD1 3.67Å; I87-L163 HydrophobicContact CD1-CD2 4.05Å; V127-L163 HydrophobicContact CG1-CD2 4.35Å; V127-L163 HydrophobicContact CG1-CG 4.49Å; L130-L163 HydrophobicContact CD2-CD1 4.14Å; L130-L163 HydrophobicContact CD2-CG 4.35Å; L131-L163 PolarHBondContact N-O 3.33Å; L131-L163 VanDerWaalsContact N-O 3.11Å; W160-L163 HydrophobicContact CE3-CD1 4.39Å; W160-L163 HydrophobicContact CZ3-CD1 4.13Å; W160-L163 VanDerWaalsContact CZ3-O 3.32Å; W160-L163 WeakPolarHBondContact CZ3-O 3.34Å; L163-E167 PolarHBondContact N-OE2 3.37Å; L163-E167 VanDerWaalsContact N-OE2 3.13Å
164T85.3Confident76.9Confident19 Ų1982.4 Ų82.412%0.11741%0.409CS..BIsolated β-bridgetrans-115.7153.2-177.5650000112.2V127 N129 C162 V166 E167 K168V127-T164 HydrophobicContact CG1-CG2 3.7Å; N129-T164 CarbonylContact O-C 3.55Å; N129-T164 VanDerWaalsContact O-CA 3.31Å; N129-T164 WeakPolarHBondContact O-CA 3.28Å; C162-T164 PolarHBondContact SG-O 3.03Å; T164-V166 PolarHBondContact O-N 3.13Å; T164-E167 PolarHBondContact N-OE2 3.17Å; T164-E167 PolarHBondContact O-N 3.17Å; T164-E167 VanDerWaalsContact OG1-CG 3.28Å; T164-E167 WeakPolarHBondContact OG1-CG 3.31Å; T164-E167 PolarHBondContact OG1-N 3.46Å; T164-E167 PolarHBondContact OG1-OE2 3.17Å; T164-K168 PolarHBondContact O-N 3.09Å
165A76.8Confident74.9Confident31 Ų3188.9 Ų88.926%0.25644%0.437SS..Hα-helixtrans-63.4-29.1174.400000112.4N129 K168 Q169N129-A165 PolarHBondContact O-N 3.39Å; A165-K168 WeakPolarHBondContact O-CB 3.33Å; A165-K168 PolarHBondContact O-N 2.9Å; A165-Q169 PolarHBondContact O-N 3.08Å
166V74.6Confident72.9Confident78 Ų7888.3 Ų88.347%0.47344%0.442SS..Hα-helixtrans-65.3-45.1178.4-178.30000110.9T164 K168 Q169 S170T164-V166 PolarHBondContact O-N 3.13Å; V166-K168 PolarHBondContact O-N 3.25Å; V166-Q169 PolarHBondContact O-N 3.27Å; V166-S170 PolarHBondContact O-N 3.35Å; V166-S170 PolarHBondContact O-OG 3.35Å
167E74.9Confident71Confident67 Ų6790.1 Ų90.131%0.31346%0.457SS..Hα-helixtrans-60.3-34175.5-72.2170.3136.400112.3C162 L163 T164 K171C162-E167 HydrophobicContact CB-CB 3.85Å; L163-E167 PolarHBondContact N-OE2 3.37Å; L163-E167 VanDerWaalsContact N-OE2 3.13Å; T164-E167 PolarHBondContact N-OE2 3.17Å; T164-E167 PolarHBondContact O-N 3.17Å; T164-E167 VanDerWaalsContact OG1-CG 3.28Å; T164-E167 WeakPolarHBondContact OG1-CG 3.31Å; T164-E167 PolarHBondContact OG1-N 3.46Å; T164-E167 PolarHBondContact OG1-OE2 3.17Å; E167-K171 WeakPolarHBondContact O-CB 3.38Å; E167-K171 WeakPolarHBondContact O-CG 3.45Å; E167-K171 PolarHBondContact O-N 2.84Å; E167-K171 VanDerWaalsContact O-N 3.08Å
168K72.8Confident69.3Low70 Ų7089.8 Ų89.830%0.30446%0.455SS..Hα-helixtrans-63.1-49.6175.1-164.4175.5173.4177.90111.1L131 E161 C162 T164 A165 V166 S170 K171 E172L131-K168 HydrophobicContact CD1-CB 4.43Å; L131-K168 HydrophobicContact CD1-CD 3.99Å; E161-K168 IonicContact OE2-NZ 3.84Å; C162-K168 VanDerWaalsContact SG-CB 3.52Å; T164-K168 PolarHBondContact O-N 3.09Å; A165-K168 WeakPolarHBondContact O-CB 3.33Å; A165-K168 PolarHBondContact O-N 2.9Å; V166-K168 PolarHBondContact O-N 3.25Å; K168-S170 VanDerWaalsContact C-N 3.34Å; K168-S170 PolarHBondContact O-N 3.44Å; K168-K171 PolarHBondContact O-N 3.29Å; K168-E172 VanDerWaalsContact CE-OE1 3.26Å; K168-E172 WeakPolarHBondContact CE-OE1 3.5Å; K168-E172 IonicContact NZ-OE1 3.95Å; K168-E172 PolarHBondContact O-N 3.26Å
169Q64.6Low67.6Low116 Ų11688.6 Ų88.654%0.54245%0.454SS..Hα-helixtrans-64-38.9-178.2-69.4178.420.700111.9A165 V166 E172 K173A165-Q169 PolarHBondContact O-N 3.08Å; V166-Q169 PolarHBondContact O-N 3.27Å; Q169-E172 PolarHBondContact O-N 3.43Å; Q169-K173 WeakPolarHBondContact O-CG 3.26Å; Q169-K173 PolarHBondContact O-N 3.05Å
170S61.3Low65.9Low63 Ų6389.2 Ų89.244%0.44146%0.46SS..Hα-helixtrans-64.2-44.3174.9-58.10000111.7V166 K168 E172 K173 D174V166-S170 PolarHBondContact O-N 3.35Å; V166-S170 PolarHBondContact O-OG 3.35Å; K168-S170 VanDerWaalsContact C-N 3.34Å; K168-S170 PolarHBondContact O-N 3.44Å; S170-E172 VanDerWaalsContact C-N 3.33Å; S170-E172 PolarHBondContact O-N 3.4Å; S170-K173 PolarHBondContact O-N 3.01Å; S170-D174 PolarHBondContact O-N 3.22Å
171K61.5Low64.3Low130 Ų13096.3 Ų96.357%0.56550%0.498SS*.Hα-helixtrans-66.6-31176.6-73.2-178.2180-174.10113.5E167 K168 K175E167-K171 WeakPolarHBondContact O-CB 3.38Å; E167-K171 WeakPolarHBondContact O-CG 3.45Å; E167-K171 PolarHBondContact O-N 2.84Å; E167-K171 VanDerWaalsContact O-N 3.08Å; K168-K171 PolarHBondContact O-N 3.29Å; K171-K175 WeakPolarHBondContact O-CG 3.36Å; K171-K175 PolarHBondContact O-N 3.03Å
172E59.3Low62.7Low111 Ų11191.3 Ų91.352%0.51948%0.481SS..Hα-helixtrans-73.2-31.3173.8-79.7176.4159.100112.2K168 Q169 S170K168-E172 VanDerWaalsContact CE-OE1 3.26Å; K168-E172 WeakPolarHBondContact CE-OE1 3.5Å; K168-E172 IonicContact NZ-OE1 3.95Å; K168-E172 PolarHBondContact O-N 3.26Å; Q169-E172 PolarHBondContact O-N 3.43Å; S170-E172 VanDerWaalsContact C-N 3.33Å; S170-E172 PolarHBondContact O-N 3.4Å
173K58.3Low61.3Low176 Ų17696.5 Ų96.577%0.76551%0.508SS*.Hα-helixtrans-72.3-36.3173.9-74178.4-179.2-174.50113.2Q169 S170 K175Q169-K173 WeakPolarHBondContact O-CG 3.26Å; Q169-K173 PolarHBondContact O-N 3.05Å; S170-K173 PolarHBondContact O-N 3.01Å; K173-K175 VanDerWaalsContact C-N 3.3Å
174D53.7Low59.9Low141 Ų141101.8 Ų101.875%0.75454%0.542SS*.SBendtrans-78.5-10.3177.8-86.4-36.1000113.8S170 P176S170-D174 PolarHBondContact O-N 3.22Å; D174-P176 WeakPolarHBondContact O-CD 3.2Å
175K51.5Low58.7Low152 Ų152104.4 Ų104.466%0.66156%0.562SS**SBendtrans-71.6117.7169.5-82.3-180-179-175.80108.2K171 K173 S177K171-K175 WeakPolarHBondContact O-CG 3.36Å; K171-K175 PolarHBondContact O-N 3.03Å; K173-K175 VanDerWaalsContact C-N 3.3Å; K175-S177 PolarHBondContact O-N 2.81Å
176P48.7Very low57.7Low91 Ų91107.7 Ų107.759%0.59158%0.575SS**  trans-58.8118.4166.923.2-29.1000107.1D174 V178D174-P176 WeakPolarHBondContact O-CD 3.2Å; P176-V178 HydrophobicContact CB-CG2 4.41Å; P176-V178 PolarHBondContact O-N 3.02Å
177S46.2Very low56.9Low84 Ų84105.2 Ų105.259%0.58757%0.565SS**  trans-60.890.3169.11700000107.9K175K175-S177 PolarHBondContact O-N 2.81Å
178V48.8Very low56.3Low109 Ų109107.2 Ų107.266%0.66158%0.578SS**  trans-92.4103.7164.5-1620000104.8P176 E180P176-V178 HydrophobicContact CB-CG2 4.41Å; P176-V178 PolarHBondContact O-N 3.02Å; V178-E180 PolarHBondContact O-N 3.06Å
179D48.7Very low55.7Low101 Ų101109.6 Ų109.654%0.5459%0.591SS.*  trans-68.1109.7170.7-169.2-11.7000107.1N181 A182D179-N181 PolarHBondContact O-N 3.2Å; D179-N181 PolarHBondContact OD1-N 3.17Å; D179-A182 HydrophobicContact CB-CB 4.23Å; D179-A182 PolarHBondContact O-N 3.25Å
180E51.8Low55.5Low188 Ų188107 Ų10788%0.87959%0.586SS**THydrogen-bonded Turntrans-65.5-5.6-178.3-73.3-176.9151.800112.8V178V178-E180 PolarHBondContact O-N 3.06Å
181N54.9Low55.5Low151 Ų151109.1 Ų109.181%0.80759%0.59SS**THydrogen-bonded Turntrans-104.91.7176.8-60.6-72.1000114.3D179D179-N181 PolarHBondContact O-N 3.2Å; D179-N181 PolarHBondContact OD1-N 3.17Å
182A51.9Low55.7Low36 Ų36106.4 Ų106.430%0.29858%0.582SS.*SBendtrans-89.7126.2178.700000111.1D179 D186D179-A182 HydrophobicContact CB-CB 4.23Å; D179-A182 PolarHBondContact O-N 3.25Å; A182-D186 HydrophobicContact CB-CB 4.22Å
183D56Low56Low112 Ų112107.8 Ų107.860%0.59959%0.586SS**  trans-45.3138.6171.8-149.1-11.5000109.6S185 D186 G187D183-S185 PolarHBondContact O-N 3.2Å; D183-D186 PolarHBondContact O-N 2.98Å; D183-G187 PolarHBondContact O-N 3.08Å
184P56.7Low56.4Low111 Ų111104.5 Ų104.572%0.72157%0.572SS**Hα-helixtrans-53.2-21-173-29.937.8000115.1
185S58.8Low56.9Low75 Ų75101.1 Ų101.152%0.52455%0.553SS.*Hα-helixtrans-71.9-39.3171.446.50000114.5D183 M189D183-S185 PolarHBondContact O-N 3.2Å; S185-M189 PolarHBondContact O-N 3.1Å
186D56.9Low57.4Low100 Ų10098 Ų9854%0.53554%0.537SS..Hα-helixtrans-78-35.2179.8-90-5.9000111.7A182 D183 L188 M189 S190A182-D186 HydrophobicContact CB-CB 4.22Å; D183-D186 PolarHBondContact O-N 2.98Å; D186-L188 VanDerWaalsContact C-N 3.28Å; D186-L188 PolarHBondContact O-N 3.45Å; D186-M189 PolarHBondContact O-N 3.3Å; D186-S190 PolarHBondContact O-N 3.45Å
187G57.7Low58.4Low26 Ų2698.4 Ų98.427%0.26854%0.535SS..Hα-helixtrans-56.3-44.6172.600000111.6D183 S190 M191D183-G187 PolarHBondContact O-N 3.08Å; G187-S190 PolarHBondContact O-OG 3.04Å; G187-M191 WeakPolarHBondContact O-CB 3.41Å; G187-M191 PolarHBondContact O-N 3.33Å; G187-M191 VanDerWaalsContact O-N 3.1Å
188L62.8Low59.3Low109 Ų109101.7 Ų101.757%0.57155%0.546SS*.Hα-helixtrans-65.6-41.7178-168.566.3000112D186 M191 L192D186-L188 VanDerWaalsContact C-N 3.28Å; D186-L188 PolarHBondContact O-N 3.45Å; L188-M191 PolarHBondContact O-N 2.96Å; L188-L192 HydrophobicContact CD1-CD1 4.49Å; L188-L192 HydrophobicContact CG-CD1 3.93Å; L188-L192 WeakPolarHBondContact O-CB 3.34Å; L188-L192 WeakPolarHBondContact O-CD1 3.49Å; L188-L192 PolarHBondContact O-N 3.35Å
189M59.1Low59.9Low119 Ų11997 Ų9759%0.58652%0.52SS*.Hα-helixtrans-67.8-38.2-179.2-144.5174-159.500112.3S185 D186 M191 K193S185-M189 PolarHBondContact O-N 3.1Å; D186-M189 PolarHBondContact O-N 3.3Å; M189-M191 VanDerWaalsContact C-N 3.35Å; M189-K193 WeakPolarHBondContact O-CB 3.35Å; M189-K193 PolarHBondContact O-N 3.45Å
190S61Low60.6Low63 Ų6397.2 Ų97.244%0.44152%0.521SS..Hα-helixtrans-67.5-35.717481.20000112.5D186 G187 K193 K194D186-S190 PolarHBondContact O-N 3.45Å; G187-S190 PolarHBondContact O-OG 3.04Å; S190-K193 PolarHBondContact O-N 3.26Å; S190-K194 PolarHBondContact O-N 2.96Å; S190-K194 VanDerWaalsContact O-N 3.08Å
191M62.2Low61.5Low107 Ų10793.7 Ų93.753%0.52751%0.508SS..Hα-helixtrans-69.4-44.5177.1-165.1173.5-139.500111.1G187 L188 M189 K193 K194 I195G187-M191 WeakPolarHBondContact O-CB 3.41Å; G187-M191 PolarHBondContact O-N 3.33Å; G187-M191 VanDerWaalsContact O-N 3.1Å; L188-M191 PolarHBondContact O-N 2.96Å; M189-M191 VanDerWaalsContact C-N 3.35Å; M191-K193 VanDerWaalsContact C-N 3.33Å; M191-K193 PolarHBondContact O-N 2.84Å; M191-K194 PolarHBondContact O-N 2.8Å; M191-I195 WeakPolarHBondContact O-CG1 3.44Å; M191-I195 PolarHBondContact O-N 3.33Å
192L64.2Low61.8Low73 Ų7393.5 Ų93.538%0.38250%0.502SS..Hα-helixtrans-60.3-40.4173.1-89.7145.6000112.2L188 I195 Y196 I207L188-L192 HydrophobicContact CD1-CD1 4.49Å; L188-L192 HydrophobicContact CG-CD1 3.93Å; L188-L192 WeakPolarHBondContact O-CB 3.34Å; L188-L192 WeakPolarHBondContact O-CD1 3.49Å; L188-L192 PolarHBondContact O-N 3.35Å; L192-I195 PolarHBondContact O-N 2.9Å; L192-Y196 PolarHBondContact O-N 3.23Å; L192-I207 HydrophobicContact CD2-CG2 4.02Å
193K66.6Low62.3Low139 Ų13996.5 Ų96.560%0.60451%0.511SS*.Hα-helixtrans-64.1-42.9177.3-169.6178-175.7-177.40112.1M189 S190 M191 Y196 D197M189-K193 WeakPolarHBondContact O-CB 3.35Å; M189-K193 PolarHBondContact O-N 3.45Å; S190-K193 PolarHBondContact O-N 3.26Å; M191-K193 VanDerWaalsContact C-N 3.33Å; M191-K193 PolarHBondContact O-N 2.84Å; K193-Y196 WeakPolarHBondContact O-CB 3.44Å; K193-Y196 PolarHBondContact O-N 2.93Å; K193-D197 PolarHBondContact O-N 3.38Å
194K66.6Low63.1Low108 Ų10893.5 Ų93.547%0.4749%0.493SS..Hα-helixtrans-64-40.2174.5-85.9-176.9173.3177.30112.9S190 M191 Y196 D197 D198S190-K194 PolarHBondContact O-N 2.96Å; S190-K194 VanDerWaalsContact O-N 3.08Å; M191-K194 PolarHBondContact O-N 2.8Å; K194-Y196 VanDerWaalsContact C-N 3.28Å; K194-Y196 PolarHBondContact O-N 2.97Å; K194-D197 PolarHBondContact O-N 3.22Å; K194-D198 WeakPolarHBondContact O-CB 3.38Å; K194-D198 PolarHBondContact O-N 2.98Å
195I64.6Low63.8Low70 Ų7097.1 Ų97.136%0.35949%0.492SS..Hα-helixtrans-64.9-35.4175.1-64.9170.1000110.8M191 L192 G199 M203 I207M191-I195 WeakPolarHBondContact O-CG1 3.44Å; M191-I195 PolarHBondContact O-N 3.33Å; L192-I195 PolarHBondContact O-N 2.9Å; I195-G199 WeakPolarHBondContact O-CA 3.5Å; I195-G199 PolarHBondContact O-N 2.9Å; I195-M203 HydrophobicContact CG2-CE 4.01Å; I195-M203 HydrophobicContact CG2-SD 4Å; I195-I207 HydrophobicContact CB-CD1 4.35Å; I195-I207 HydrophobicContact CG2-CD1 3.54Å
196Y62.3Low64.4Low86 Ų8697.9 Ų97.934%0.33749%0.494SS..Hα-helixtrans-67.3-42.2173.2-172.3-94000111.9L192 K193 K194 K204 N208L192-Y196 PolarHBondContact O-N 3.23Å; K193-Y196 WeakPolarHBondContact O-CB 3.44Å; K193-Y196 PolarHBondContact O-N 2.93Å; K194-Y196 VanDerWaalsContact C-N 3.28Å; K194-Y196 PolarHBondContact O-N 2.97Å; Y196-K204 HydrophobicContact CD2-CB 4.1Å; Y196-K204 HydrophobicContact CD2-CG 3.82Å; Y196-K204 HydrophobicContact CE2-CB 3.72Å; Y196-K204 HydrophobicContact CE2-CD 4.43Å; Y196-K204 HydrophobicContact CE2-CG 3.75Å; Y196-K204 HydrophobicContact CG-CG 4.33Å; Y196-K204 WeakPolarHBondContact O-CE 3.45Å; Y196-N208 WeakPolarHBondContact CE2-OD1 3.27Å
197D67.9Low65Low100 Ų10094.8 Ų94.854%0.53548%0.477SS..Hα-helixtrans-71.6-39.1-178-70.2-24.8000112.5K193 K194K193-D197 PolarHBondContact O-N 3.38Å; K194-D197 PolarHBondContact O-N 3.22Å
198D66.7Low65.6Low152 Ų15297 Ų9781%0.81348%0.483SS*.Hα-helixtrans-89-12.2-179.3-79.7-12.3000114.5K194K194-D198 WeakPolarHBondContact O-CB 3.38Å; K194-D198 PolarHBondContact O-N 2.98Å
199G60.7Low66.1Low12 Ų1298.1 Ų98.112%0.12448%0.483CS..SBendtrans-78.9150.2-176.300000114.3I195 K204I195-G199 WeakPolarHBondContact O-CA 3.5Å; I195-G199 PolarHBondContact O-N 2.9Å; G199-K204 WeakPolarHBondContact O-CE 3.38Å; G199-K204 PolarHBondContact O-NZ 3.4Å
200D63.2Low66.8Low104 Ų10495.1 Ų95.156%0.55648%0.477SS*.  trans-64.7167.416971.221.7000112.1E202 M203 K204D200-E202 PolarHBondContact O-N 2.86Å; D200-E202 VanDerWaalsContact O-N 3.11Å; D200-E202 PolarHBondContact OD1-N 3.26Å; D200-E202 VanDerWaalsContact OD1-N 3.09Å; D200-M203 PolarHBondContact O-N 3.09Å; D200-M203 WeakPolarHBondContact OD1-CB 2.68Å; D200-M203 PolarHBondContact OD1-N 3.06Å; D200-K204 WeakPolarHBondContact O-CG 3.44Å; D200-K204 PolarHBondContact O-N 3.28Å; D200-K204 VanDerWaalsContact O-N 3.1Å
201D69.8Low67.2Low115 Ų11599.4 Ų99.462%0.61548%0.484SS*.Hα-helixtrans-61.8-20.6-176.1-78.5-15.8000113.5R205D201-R205 VanDerWaalsContact O-CG 3.27Å; D201-R205 WeakPolarHBondContact O-CG 3.43Å; D201-R205 PolarHBondContact O-N 2.9Å
202E61.9Low67.5Low147 Ų14797.9 Ų97.969%0.68748%0.48SS*.Hα-helixtrans-81.9-40.6179.8-168.4170.2-173.300111.5D200 R205 T206D200-E202 PolarHBondContact O-N 2.86Å; D200-E202 VanDerWaalsContact O-N 3.11Å; D200-E202 PolarHBondContact OD1-N 3.26Å; D200-E202 VanDerWaalsContact OD1-N 3.09Å; E202-R205 PolarHBondContact O-N 2.97Å; E202-T206 PolarHBondContact O-N 3.38Å; E202-T206 VanDerWaalsContact O-N 3.11Å; E202-T206 PolarHBondContact O-OG1 3.45Å
203M63.3Low67.8Low98 Ų9899.2 Ų99.248%0.48349%0.485SS..Hα-helixtrans-66.7-40.8174.4-157.6172.4-158.900111.3I195 D200 R205 T206 I207I195-M203 HydrophobicContact CG2-CE 4.01Å; I195-M203 HydrophobicContact CG2-SD 4Å; D200-M203 PolarHBondContact O-N 3.09Å; D200-M203 WeakPolarHBondContact OD1-CB 2.68Å; D200-M203 PolarHBondContact OD1-N 3.06Å; M203-R205 PolarHBondContact O-N 2.96Å; M203-T206 PolarHBondContact O-N 3.11Å; M203-I207 HydrophobicContact CG-CD1 4.32Å; M203-I207 WeakPolarHBondContact O-CG1 3.37Å; M203-I207 PolarHBondContact O-N 3.31Å
204K72Confident67.6Low50 Ų5096.4 Ų96.422%0.21748%0.482CS..Hα-helixtrans-58.5-44.3174-74.8171.9173.3154.40112.6Y196 G199 D200 T206 N208Y196-K204 HydrophobicContact CD2-CB 4.1Å; Y196-K204 HydrophobicContact CD2-CG 3.82Å; Y196-K204 HydrophobicContact CE2-CB 3.72Å; Y196-K204 HydrophobicContact CE2-CD 4.43Å; Y196-K204 HydrophobicContact CE2-CG 3.75Å; Y196-K204 HydrophobicContact CG-CG 4.33Å; Y196-K204 WeakPolarHBondContact O-CE 3.45Å; G199-K204 WeakPolarHBondContact O-CE 3.38Å; G199-K204 PolarHBondContact O-NZ 3.4Å; D200-K204 WeakPolarHBondContact O-CG 3.44Å; D200-K204 PolarHBondContact O-N 3.28Å; D200-K204 VanDerWaalsContact O-N 3.1Å; K204-T206 VanDerWaalsContact C-N 3.34Å; K204-N208 WeakPolarHBondContact O-CB 3.12Å; K204-N208 PolarHBondContact O-N 2.95Å
205R72Confident67.4Low186 Ų18695.9 Ų95.970%0.70248%0.482SS*.Hα-helixtrans-63.2-42.2176.5-77.9174.8-169.6178.55.8111.7D201 E202 M203 N208 K209D201-R205 VanDerWaalsContact O-CG 3.27Å; D201-R205 WeakPolarHBondContact O-CG 3.43Å; D201-R205 PolarHBondContact O-N 2.9Å; E202-R205 PolarHBondContact O-N 2.97Å; M203-R205 PolarHBondContact O-N 2.96Å; R205-N208 PolarHBondContact O-N 3.11Å; R205-K209 VanDerWaalsContact O-CB 3.28Å; R205-K209 WeakPolarHBondContact O-CB 3.24Å; R205-K209 PolarHBondContact O-N 3.4Å
206T71.4Confident67.4Low91 Ų9196.8 Ų96.856%0.55849%0.488SS*.Hα-helixtrans-66.5-42.4-178.9-56.60000111.6E202 M203 K204 K209 A210E202-T206 PolarHBondContact O-N 3.38Å; E202-T206 VanDerWaalsContact O-N 3.11Å; E202-T206 PolarHBondContact O-OG1 3.45Å; M203-T206 PolarHBondContact O-N 3.11Å; K204-T206 VanDerWaalsContact C-N 3.34Å; T206-K209 PolarHBondContact O-N 2.99Å; T206-A210 WeakPolarHBondContact O-CB 3.47Å; T206-A210 PolarHBondContact O-N 3.46Å
207I69.6Low67.2Low35 Ų35100.2 Ų100.218%0.17950%0.504CS..Hα-helixtrans-65.6-45.4175.9-66.9171000111L192 I195 M203 K209 A210 W211L192-I207 HydrophobicContact CD2-CG2 4.02Å; I195-I207 HydrophobicContact CB-CD1 4.35Å; I195-I207 HydrophobicContact CG2-CD1 3.54Å; M203-I207 HydrophobicContact CG-CD1 4.32Å; M203-I207 WeakPolarHBondContact O-CG1 3.37Å; M203-I207 PolarHBondContact O-N 3.31Å; I207-K209 VanDerWaalsContact C-N 3.3Å; I207-K209 PolarHBondContact O-N 3.41Å; I207-A210 PolarHBondContact O-N 3.1Å; I207-W211 WeakPolarHBondContact O-CB 3.47Å; I207-W211 PolarHBondContact O-N 3.22Å
208N69.6Low66.7Low74 Ų74103.6 Ų103.640%0.39651%0.514SS..Hα-helixtrans-61-40176.1-80.1-8.1000112.2Y196 K204 R205 W211 T212Y196-N208 WeakPolarHBondContact CE2-OD1 3.27Å; K204-N208 WeakPolarHBondContact O-CB 3.12Å; K204-N208 PolarHBondContact O-N 2.95Å; R205-N208 PolarHBondContact O-N 3.11Å; N208-W211 PolarHBondContact O-N 3.48Å; N208-T212 WeakPolarHBondContact O-CB 3.28Å; N208-T212 PolarHBondContact O-N 2.71Å; N208-T212 PolarHBondContact O-OG1 2.96Å
209K74.6Confident66Low132 Ų132102.9 Ų102.957%0.57450%0.504SS*.Hα-helixtrans-64.3-46.2176.6-174178177.2-176.90111.3R205 T206 I207 W211 T212 E213R205-K209 VanDerWaalsContact O-CB 3.28Å; R205-K209 WeakPolarHBondContact O-CB 3.24Å; R205-K209 PolarHBondContact O-N 3.4Å; T206-K209 PolarHBondContact O-N 2.99Å; I207-K209 VanDerWaalsContact C-N 3.3Å; I207-K209 PolarHBondContact O-N 3.41Å; K209-W211 PolarHBondContact O-N 2.87Å; K209-T212 PolarHBondContact O-N 2.89Å; K209-E213 WeakPolarHBondContact CE-OE1 3.32Å; K209-E213 WeakPolarHBondContact O-CB 3.38Å; K209-E213 WeakPolarHBondContact O-CG 3.39Å; K209-E213 PolarHBondContact O-N 3.47Å
210A72Confident65.8Low56 Ų56112 Ų11246%0.46353%0.534SS..Hα-helixtrans-64.2-38.9177.700000112.5T206 I207 S214T206-A210 WeakPolarHBondContact O-CB 3.47Å; T206-A210 PolarHBondContact O-N 3.46Å; I207-A210 PolarHBondContact O-N 3.1Å; A210-S214 VanDerWaalsContact O-CB 3.24Å; A210-S214 WeakPolarHBondContact O-CB 3.37Å; A210-S214 PolarHBondContact O-N 3.21Å
211W69.3Low65.2Low153 Ų153109.2 Ų109.258%0.5853%0.53SS*.Hα-helixtrans-67.2-43.1177.4-159.775.4000111.8I207 N208 K209 S214 Q215I207-W211 WeakPolarHBondContact O-CB 3.47Å; I207-W211 PolarHBondContact O-N 3.22Å; N208-W211 PolarHBondContact O-N 3.48Å; K209-W211 PolarHBondContact O-N 2.87Å; W211-S214 PolarHBondContact O-N 3Å; W211-Q215 PolarHBondContact O-N 2.96Å
212T69.3Low64Low74 Ų74110 Ų11045%0.45453%0.534SS..Hα-helixtrans-64.6-46.7175.8-50.30000111.2N208 K209 S214 Q215 D216N208-T212 WeakPolarHBondContact O-CB 3.28Å; N208-T212 PolarHBondContact O-N 2.71Å; N208-T212 PolarHBondContact O-OG1 2.96Å; K209-T212 PolarHBondContact O-N 2.89Å; T212-S214 VanDerWaalsContact C-N 3.29Å; T212-S214 PolarHBondContact O-N 2.92Å; T212-Q215 PolarHBondContact O-N 3.31Å; T212-D216 WeakPolarHBondContact O-CB 3.46Å; T212-D216 PolarHBondContact O-N 3.36Å
213E70.9Confident63.3Low101 Ų101110 Ų11047%0.47254%0.539SS..Hα-helixtrans-64.1-32.7177.3-77.5179.8-176.100112.6K209 K217K209-E213 WeakPolarHBondContact CE-OE1 3.32Å; K209-E213 WeakPolarHBondContact O-CB 3.38Å; K209-E213 WeakPolarHBondContact O-CG 3.39Å; K209-E213 PolarHBondContact O-N 3.47Å; E213-K217 WeakPolarHBondContact O-CB 3.44Å; E213-K217 WeakPolarHBondContact O-CG 3.38Å; E213-K217 PolarHBondContact O-N 3.38Å
214S62.9Low62.5Low80 Ų80113.5 Ų113.556%0.55956%0.556SS**Hα-helixtrans-73.4-40.6176.2-165.10000112.1A210 W211 T212 K218A210-S214 VanDerWaalsContact O-CB 3.24Å; A210-S214 WeakPolarHBondContact O-CB 3.37Å; A210-S214 PolarHBondContact O-N 3.21Å; W211-S214 PolarHBondContact O-N 3Å; T212-S214 VanDerWaalsContact C-N 3.29Å; T212-S214 PolarHBondContact O-N 2.92Å; S214-K218 WeakPolarHBondContact O-CB 3.08Å; S214-K218 PolarHBondContact O-N 2.95Å
215Q60.5Low61.4Low97 Ų97119 Ų11945%0.45358%0.584SS.*Hα-helixtrans-64-43.7171.6-90.9-115-34.200112.2W211 T212 K218 K219W211-Q215 PolarHBondContact O-N 2.96Å; T212-Q215 PolarHBondContact O-N 3.31Å; Q215-K218 PolarHBondContact O-N 2.86Å; Q215-K219 PolarHBondContact O-N 2.95Å
216D64.5Low60.2Low90 Ų90117.3 Ų117.348%0.48159%0.59SS.*Hα-helixtrans-67.9-35.7177.8-92.1-23.6000112.3T212 K218 K219 R220T212-D216 WeakPolarHBondContact O-CB 3.46Å; T212-D216 PolarHBondContact O-N 3.36Å; D216-K218 VanDerWaalsContact C-N 3.34Å; D216-K219 PolarHBondContact O-N 3.34Å; D216-R220 WeakPolarHBondContact O-CB 3.47Å; D216-R220 WeakPolarHBondContact O-CG 3.38Å; D216-R220 PolarHBondContact O-N 3.33Å
217K59.9Low58.7Low158 Ų158126.5 Ų126.569%0.68762%0.622SS**Hα-helixtrans-66.7-35.1171-84.4179.9178174.30112.4E213 G221E213-K217 WeakPolarHBondContact O-CB 3.44Å; E213-K217 WeakPolarHBondContact O-CG 3.38Å; E213-K217 PolarHBondContact O-N 3.38Å; K217-G221 PolarHBondContact O-N 3.46Å
218K55.8Low58.2Low170 Ų170131.1 Ų131.174%0.73965%0.645SS**Hα-helixtrans-68.3-40.8175-162.3172.2-176.7174.20111.5S214 Q215 D216 G221 D222S214-K218 WeakPolarHBondContact O-CB 3.08Å; S214-K218 PolarHBondContact O-N 2.95Å; Q215-K218 PolarHBondContact O-N 2.86Å; D216-K218 VanDerWaalsContact C-N 3.34Å; K218-G221 PolarHBondContact O-N 3.46Å; K218-D222 PolarHBondContact O-N 2.86Å
219K53.8Low57.6Low138 Ų138134.1 Ų134.160%0.666%0.658SS**Hα-helixtrans-65.6-42.4172.1-85-178.8172.9177.50113.2Q215 D216 G221 D222 D223Q215-K219 PolarHBondContact O-N 2.95Å; D216-K219 PolarHBondContact O-N 3.34Å; K219-G221 VanDerWaalsContact C-N 3.31Å; K219-G221 PolarHBondContact O-N 2.95Å; K219-D222 PolarHBondContact O-N 3.45Å; K219-D223 PolarHBondContact O-N 3.46Å
220R55.6Low56.7Low203 Ų203134.2 Ų134.277%0.76666%0.662SS**Hα-helixtrans-71.6-22.3176.9-78.1176.576.6170.84.4114D216D216-R220 WeakPolarHBondContact O-CB 3.47Å; D216-R220 WeakPolarHBondContact O-CG 3.38Å; D216-R220 PolarHBondContact O-N 3.33Å
221G50.7Low55.8Low45 Ų45138.8 Ų138.846%0.46467%0.674SS.*Hα-helixtrans-77.4-25.5173.300000113.5K217 K218 K219K217-G221 PolarHBondContact O-N 3.46Å; K218-G221 PolarHBondContact O-N 3.46Å; K219-G221 VanDerWaalsContact C-N 3.31Å; K219-G221 PolarHBondContact O-N 2.95Å
222D44.3Very low54.9Low131 Ų131137.9 Ų137.970%0.70168%0.68SS**Hα-helixtrans-75.7-34.9176.2-125.314.2000111.6K218 K219 M224K218-D222 PolarHBondContact O-N 2.86Å; K219-D222 PolarHBondContact O-N 3.45Å; D222-M224 PolarHBondContact O-N 3.18Å
223D46.4Very low54Low147 Ų147142.2 Ų142.279%0.78670%0.695SS**THydrogen-bonded Turntrans-71.2-4.4177.4-92-10.5000114.7K219K219-D223 PolarHBondContact O-N 3.46Å
224M47.3Very low52.7Low173 Ų173145.1 Ų145.185%0.85271%0.711SS**THydrogen-bonded Turntrans-110.75.7-178-135.4178.4-159.900113.8D222D222-M224 PolarHBondContact O-N 3.18Å
225M49.6Very low52Low164 Ų164150.2 Ų150.281%0.80872%0.723SS**SBendtrans-11116.7177.4-87-96.3-153.400113.2
226D47.3Very low51.3Low151 Ų151154.6 Ų154.681%0.80775%0.745SS**  trans-119.183.8165.4-89.2-18.7000109.6
227F39.9Very low50Low285 Ų285160.5 Ų160.5100%1.2577%0.769SS**  trans-143.50155.2-107.1-77000109.5

Retrieved 227 of 227 residues in 258.9 ms (Link to these results)

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