C4Q4Q6_SCHMA Loading...

40S ribosomal protein S3

AlphaFold DB , UniProt , Accession C4Q4Q6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 230 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
1M33.9Very low71.4Confident243 Ų243137.5 Ų137.5100%1.19772%0.719SS**  0106.80-68.7174.5175.600108.1N3M1-N3 PolarHBondContact O-N 2.78Å
2A45.3Very low73.2Confident84 Ų84137.4 Ų137.469%0.69471%0.709SS**  trans-66.8122.3176.300000108.2T4A2-T4 PolarHBondContact O-N 3.48Å
3N44Very low74.8Confident149 Ų149138.8 Ų138.880%0.79771%0.707SS**  trans-54.198-174.6-164.9-0.2000111M1 G5M1-N3 PolarHBondContact O-N 2.78Å; N3-G5 PolarHBondContact O-N 2.95Å; N3-G5 VanDerWaalsContact O-N 3.16Å
4T58.5Low76.3Confident140 Ų140136.9 Ų136.986%0.85970%0.697SS**  trans-82.634.417645.90000111.4A2A2-T4 PolarHBondContact O-N 3.48Å
5G62.2Low77.4Confident39 Ų39137 Ų13740%0.40269%0.691SS.*  trans-57.8154.1168.500000110.8N3 I7N3-G5 PolarHBondContact O-N 2.95Å; N3-G5 VanDerWaalsContact O-N 3.16Å; G5-I7 WeakPolarHBondContact O-CG1 3.32Å; G5-I7 PolarHBondContact O-N 3.1Å
6K79.8Confident78.4Confident225 Ų225130.4 Ų130.498%0.97866%0.664SS**  trans-51.9101.3172.5-91.1178.2172.5174.40109.7
7I86.1Confident79.4Confident87 Ų87125.1 Ų125.145%0.44665%0.649SS.*  trans-82.2130.7177.7-72.9162.6000108.6G5 R11 K12G5-I7 WeakPolarHBondContact O-CG1 3.32Å; G5-I7 PolarHBondContact O-N 3.1Å; I7-R11 HydrophobicContact CG2-CB 3.69Å; I7-K12 HydrophobicContact CG2-CB 4.11Å
8S92.8Very high80.3Confident59 Ų59122.9 Ų122.941%0.41364%0.642SS.*  trans-57.8145.9172.668.30000111.2K10 R11 K12S8-K10 PolarHBondContact O-N 2.85Å; S8-K10 VanDerWaalsContact O-N 3.15Å; S8-R11 PolarHBondContact O-N 2.98Å; S8-R11 WeakPolarHBondContact OG-CB 3.35Å; S8-R11 WeakPolarHBondContact OG-CG 3.34Å; S8-R11 PolarHBondContact OG-N 2.97Å; S8-K12 PolarHBondContact O-N 3.28Å
9L93.5Very high81.1Confident129 Ų129117.8 Ų117.868%0.67561%0.614SS**Hα-helixtrans-51.2-42177.9-73.2163.7000112.8R11 K12 F13L9-R11 PolarHBondContact O-N 2.88Å; L9-K12 WeakPolarHBondContact O-CB 3.45Å; L9-K12 PolarHBondContact O-N 2.72Å; L9-K12 VanDerWaalsContact O-N 3.17Å; L9-F13 WeakPolarHBondContact O-CD2 3.36Å; L9-F13 PolarHBondContact O-N 2.9Å; L9-F13 VanDerWaalsContact O-N 3.1Å
10K95Very high81.8Confident174 Ų174116.9 Ų116.976%0.75761%0.605SS**Hα-helixtrans-57-52.5176.8-64.7-176.2179.6-178.60112.1S8 K12 F13 I14S8-K10 PolarHBondContact O-N 2.85Å; S8-K10 VanDerWaalsContact O-N 3.15Å; K10-K12 VanDerWaalsContact C-N 3.28Å; K10-K12 PolarHBondContact O-N 2.76Å; K10-F13 PolarHBondContact O-N 2.76Å; K10-I14 WeakPolarHBondContact O-CG1 3.31Å; K10-I14 PolarHBondContact O-N 2.81Å; K10-I14 VanDerWaalsContact O-N 3.12Å
11R94.3Very high82.5Confident184 Ų184114.2 Ų114.269%0.69460%0.6SS**Hα-helixtrans-63.3-32.6177.2-72.1-179-178.6-176.41.1112.5I7 S8 L9 I14 K15I7-R11 HydrophobicContact CG2-CB 3.69Å; S8-R11 PolarHBondContact O-N 2.98Å; S8-R11 WeakPolarHBondContact OG-CB 3.35Å; S8-R11 WeakPolarHBondContact OG-CG 3.34Å; S8-R11 PolarHBondContact OG-N 2.97Å; L9-R11 PolarHBondContact O-N 2.88Å; R11-I14 PolarHBondContact O-N 2.93Å; R11-K15 WeakPolarHBondContact O-CB 3.35Å; R11-K15 PolarHBondContact O-N 3.12Å
12K92.5Very high85.5Confident136 Ų136105.8 Ų105.859%0.59156%0.558SS**Hα-helixtrans-62.3-48.7175.9-174.4-179.4177-178.30111.4I7 S8 L9 K10 K15 A16I7-K12 HydrophobicContact CG2-CB 4.11Å; S8-K12 PolarHBondContact O-N 3.28Å; L9-K12 WeakPolarHBondContact O-CB 3.45Å; L9-K12 PolarHBondContact O-N 2.72Å; L9-K12 VanDerWaalsContact O-N 3.17Å; K10-K12 VanDerWaalsContact C-N 3.28Å; K10-K12 PolarHBondContact O-N 2.76Å; K12-K15 PolarHBondContact O-N 3.33Å; K12-A16 PolarHBondContact O-N 3.44Å
13F94.9Very high87.9Confident156 Ų156101.9 Ų101.968%0.68453%0.526SS*.Hα-helixtrans-63.9-40.9177.5-77.1-70.4000112.5L9 K10 A16 G17L9-F13 WeakPolarHBondContact O-CD2 3.36Å; L9-F13 PolarHBondContact O-N 2.9Å; L9-F13 VanDerWaalsContact O-N 3.1Å; K10-F13 PolarHBondContact O-N 2.76Å; F13-A16 PolarHBondContact O-N 3.42Å; F13-G17 PolarHBondContact O-N 3.5Å
14I95.9Very high90.3Very high112 Ų11296.7 Ų96.757%0.57450%0.498SS*.Hα-helixtrans-61.5-46.7176.1-65.5167.3000110.4K10 R11 A16 G17 V18K10-I14 WeakPolarHBondContact O-CG1 3.31Å; K10-I14 PolarHBondContact O-N 2.81Å; K10-I14 VanDerWaalsContact O-N 3.12Å; R11-I14 PolarHBondContact O-N 2.93Å; I14-A16 VanDerWaalsContact C-N 3.32Å; I14-A16 PolarHBondContact O-N 3.28Å; I14-G17 PolarHBondContact O-N 3.06Å; I14-G17 VanDerWaalsContact O-N 3.14Å; I14-V18 HydrophobicContact CG2-CG2 4.38Å; I14-V18 WeakPolarHBondContact O-CG2 3.4Å; I14-V18 PolarHBondContact O-N 3.15Å
15K93Very high92.1Very high138 Ų13894.1 Ų94.160%0.648%0.476SS*.Hα-helixtrans-60-42178.5-171.5178.7179.5-176.80112R11 K12 V18 F19R11-K15 WeakPolarHBondContact O-CB 3.35Å; R11-K15 PolarHBondContact O-N 3.12Å; K12-K15 PolarHBondContact O-N 3.33Å; K15-V18 PolarHBondContact O-N 2.81Å; K15-F19 WeakPolarHBondContact O-CB 3.36Å; K15-F19 PolarHBondContact O-N 3.37Å
16A92.5Very high93.7Very high32 Ų3295.1 Ų95.126%0.26447%0.469SS..Hα-helixtrans-65.5-37.617600000112.4K12 F13 I14 K20K12-A16 PolarHBondContact O-N 3.44Å; F13-A16 PolarHBondContact O-N 3.42Å; I14-A16 VanDerWaalsContact C-N 3.32Å; I14-A16 PolarHBondContact O-N 3.28Å; A16-K20 WeakPolarHBondContact O-CG 3.45Å; A16-K20 PolarHBondContact O-N 2.97Å; A16-K20 VanDerWaalsContact O-N 3.07Å
17G95.6Very high94.4Very high39 Ų3984.4 Ų84.440%0.40242%0.423SS..Hα-helixtrans-65.1-45.1174.600000112.7F13 I14 F19 K20 A21F13-G17 PolarHBondContact O-N 3.5Å; I14-G17 PolarHBondContact O-N 3.06Å; I14-G17 VanDerWaalsContact O-N 3.14Å; G17-F19 VanDerWaalsContact C-N 3.35Å; G17-F19 PolarHBondContact O-N 3.47Å; G17-K20 PolarHBondContact O-N 3.14Å; G17-A21 PolarHBondContact O-N 3.39Å
18V96.1Very high94.8Very high87 Ų8782.2 Ų82.253%0.52741%0.41SS..Hα-helixtrans-61.7-43.8175.8173.80000110.9I14 K15 K20 A21 E22I14-V18 HydrophobicContact CG2-CG2 4.38Å; I14-V18 WeakPolarHBondContact O-CG2 3.4Å; I14-V18 PolarHBondContact O-N 3.15Å; K15-V18 PolarHBondContact O-N 2.81Å; V18-K20 PolarHBondContact O-N 3.16Å; V18-A21 PolarHBondContact O-N 3.34Å; V18-E22 WeakPolarHBondContact O-CB 3.37Å; V18-E22 PolarHBondContact O-N 2.93Å
19F94.3Very high94.8Very high25 Ų2588.1 Ų88.111%0.1142%0.423CS..Hα-helixtrans-55.6-48.3174.6169.3-105.8000112.1K15 G17 A21 E22 L23 V41 F79 F81K15-F19 WeakPolarHBondContact O-CB 3.36Å; K15-F19 PolarHBondContact O-N 3.37Å; G17-F19 VanDerWaalsContact C-N 3.35Å; G17-F19 PolarHBondContact O-N 3.47Å; F19-A21 PolarHBondContact O-N 2.97Å; F19-E22 PolarHBondContact O-N 2.91Å; F19-L23 HydrophobicContact CE1-CD2 4.27Å; F19-L23 HydrophobicContact CZ-CD2 4.02Å; F19-L23 VanDerWaalsContact O-CB 3.29Å; F19-L23 WeakPolarHBondContact O-CB 3.42Å; F19-L23 PolarHBondContact O-N 3.45Å; F19-V41 HydrophobicContact CE1-CG1 4.24Å; F19-V41 HydrophobicContact CE1-CG2 4.27Å; F19-F79 AromaticContact CD2-CD1 3.57Å; F19-F79 HydrophobicContact CD2-CD1 3.57Å; F19-F79 HydrophobicContact CD2-CD2 4.1Å; F19-F79 AromaticContact CD2-CE1 3.5Å; F19-F79 HydrophobicContact CD2-CE1 3.5Å; F19-F79 VanDerWaalsContact CD2-CE1 3.5Å; F19-F79 HydrophobicContact CD2-CE2 4.02Å; F19-F79 AromaticContact CD2-CG 3.87Å; F19-F79 HydrophobicContact CD2-CG 3.87Å; F19-F79 AromaticContact CD2-CZ 3.72Å; F19-F79 HydrophobicContact CD2-CZ 3.72Å; F19-F79 HydrophobicContact CE2-CB 4.4Å; F19-F79 AromaticContact CE2-CD1 3.89Å; F19-F79 HydrophobicContact CE2-CD1 3.89Å; F19-F79 AromaticContact CE2-CD2 3.57Å; F19-F79 HydrophobicContact CE2-CD2 3.57Å; F19-F79 AromaticContact CE2-CE1 3.99Å; F19-F79 HydrophobicContact CE2-CE1 3.99Å; F19-F79 AromaticContact CE2-CE2 3.67Å; F19-F79 HydrophobicContact CE2-CE2 3.67Å; F19-F79 AromaticContact CE2-CG 3.68Å; F19-F79 HydrophobicContact CE2-CG 3.68Å; F19-F79 AromaticContact CE2-CZ 3.88Å; F19-F79 HydrophobicContact CE2-CZ 3.88Å; F19-F81 AromaticContact CE2-CE2 3.98Å; F19-F81 HydrophobicContact CE2-CE2 3.98Å; F19-F81 HydrophobicContact CE2-CZ 4.21Å; F19-F81 HydrophobicContact CZ-CE2 4.23Å; F19-F81 HydrophobicContact CZ-CZ 4.22Å
20K95.7Very high94.8Very high99 Ų9986 Ų8643%0.4341%0.41SS..Hα-helixtrans-62.8-43177.6-74.1179.5-179.5-177.40112.1A16 G17 V18 L23 D24 F39A16-K20 WeakPolarHBondContact O-CG 3.45Å; A16-K20 PolarHBondContact O-N 2.97Å; A16-K20 VanDerWaalsContact O-N 3.07Å; G17-K20 PolarHBondContact O-N 3.14Å; V18-K20 PolarHBondContact O-N 3.16Å; K20-L23 PolarHBondContact O-N 2.91Å; K20-D24 WeakPolarHBondContact O-CB 3.34Å; K20-D24 PolarHBondContact O-N 2.97Å; K20-F39 HydrophobicContact CB-CZ 3.98Å; K20-F39 HydrophobicContact CG-CE2 4.38Å; K20-F39 HydrophobicContact CG-CZ 4.27Å; K20-F39 VanDerWaalsContact O-CZ 3.23Å; K20-F39 WeakPolarHBondContact O-CZ 3.42Å
21A96.5Very high94.7Very high62 Ų6277.7 Ų77.751%0.51237%0.374SS..Hα-helixtrans-65-42.9179.600000112.4G17 V18 F19 D24 E25G17-A21 PolarHBondContact O-N 3.39Å; V18-A21 PolarHBondContact O-N 3.34Å; F19-A21 PolarHBondContact O-N 2.97Å; A21-D24 PolarHBondContact O-N 3.24Å; A21-E25 PolarHBondContact O-N 3.47Å; A21-E25 VanDerWaalsContact O-N 3.1Å
22E96.2Very high94.5Very high66 Ų6669.2 Ų69.231%0.30834%0.343SS..Hα-helixtrans-65.8-41.9177.6-173.1174.6-176.600111.5V18 F19 E25 F26 R78 F79V18-E22 WeakPolarHBondContact O-CB 3.37Å; V18-E22 PolarHBondContact O-N 2.93Å; F19-E22 PolarHBondContact O-N 2.91Å; E22-E25 PolarHBondContact O-N 3Å; E22-F26 WeakPolarHBondContact O-CB 3.46Å; E22-F26 PolarHBondContact O-N 3.43Å; E22-R78 IonicContact OE1-CZ 3.23Å; E22-R78 VanDerWaalsContact OE1-CZ 3.23Å; E22-R78 IonicContact OE1-NE 2.9Å; E22-R78 PolarHBondContact OE1-NE 2.89Å; E22-R78 IonicContact OE1-NH2 2.72Å; E22-R78 PolarHBondContact OE1-NH2 3.13Å; E22-F79 HydrophobicContact CB-CZ 4.28Å; E22-F79 HydrophobicContact CG-CE1 4.43Å; E22-F79 HydrophobicContact CG-CZ 4.08Å; E22-F79 WeakPolarHBondContact OE2-CE1 3.47Å
23L95.7Very high94.4Very high2 Ų267.3 Ų67.31%0.0134%0.34CS..Hα-helixtrans-64.3-43.4177.1-178.756.9000112.2F19 K20 F26 L27 F39 V41 V50 L75F19-L23 HydrophobicContact CE1-CD2 4.27Å; F19-L23 HydrophobicContact CZ-CD2 4.02Å; F19-L23 VanDerWaalsContact O-CB 3.29Å; F19-L23 WeakPolarHBondContact O-CB 3.42Å; F19-L23 PolarHBondContact O-N 3.45Å; K20-L23 PolarHBondContact O-N 2.91Å; L23-F26 PolarHBondContact O-N 3.5Å; L23-L27 HydrophobicContact CD1-CD1 3.81Å; L23-L27 HydrophobicContact CD1-CG 3.99Å; L23-L27 HydrophobicContact CG-CD1 3.96Å; L23-L27 HydrophobicContact CG-CG 4.5Å; L23-L27 WeakPolarHBondContact O-CB 3.4Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.48Å; L23-L27 PolarHBondContact O-N 3.12Å; L23-F39 HydrophobicContact CB-CE2 4.26Å; L23-F39 HydrophobicContact CB-CZ 4.38Å; L23-F39 HydrophobicContact CD2-CD2 3.71Å; L23-F39 HydrophobicContact CD2-CE2 3.52Å; L23-F39 HydrophobicContact CD2-CZ 4.42Å; L23-F39 HydrophobicContact CG-CD2 4.12Å; L23-F39 HydrophobicContact CG-CE2 3.92Å; L23-F39 HydrophobicContact CG-CZ 4.42Å; L23-V41 HydrophobicContact CD2-CG2 4.27Å; L23-V50 HydrophobicContact CD2-CG1 3.93Å; L23-V50 HydrophobicContact CD2-CG2 4.08Å; L23-L75 HydrophobicContact CD1-CD1 3.85Å; L23-L75 HydrophobicContact CD1-CD2 3.49Å; L23-L75 VanDerWaalsContact CD1-CD2 3.49Å; L23-L75 HydrophobicContact CD1-CG 4.35Å
24D95.7Very high94.2Very high39 Ų3960.5 Ų60.521%0.20931%0.31CS..Hα-helixtrans-59.6-47.7176.5-169.235.2000111.6K20 A21 L27 K28 Y36 F39K20-D24 WeakPolarHBondContact O-CB 3.34Å; K20-D24 PolarHBondContact O-N 2.97Å; A21-D24 PolarHBondContact O-N 3.24Å; D24-L27 PolarHBondContact O-N 3.42Å; D24-K28 VanDerWaalsContact O-CB 3.32Å; D24-K28 WeakPolarHBondContact O-CB 3.47Å; D24-K28 WeakPolarHBondContact O-CG 3.36Å; D24-K28 PolarHBondContact O-N 3.49Å; D24-K28 WeakPolarHBondContact OD1-CE 3.39Å; D24-K28 IonicContact OD1-NZ 2.71Å; D24-K28 PolarHBondContact OD1-NZ 3.28Å; D24-K28 VanDerWaalsContact OD2-CE 3.28Å; D24-K28 WeakPolarHBondContact OD2-CE 3.31Å; D24-K28 IonicContact OD2-NZ 3.83Å; D24-K28 PolarHBondContact OD2-NZ 3.1Å; D24-Y36 PolarHBondContact OD1-OH 3.47Å; D24-F39 HydrophobicContact CB-CD1 4.31Å; D24-F39 HydrophobicContact CB-CE1 3.53Å; D24-F39 HydrophobicContact CB-CZ 4.22Å
25E95.5Very high93.9Very high86 Ų8655.7 Ų55.740%0.40229%0.288SS..Hα-helixtrans-66.1-40.3-179.6-17760.9-16600112A21 E22 R29A21-E25 PolarHBondContact O-N 3.47Å; A21-E25 VanDerWaalsContact O-N 3.1Å; E22-E25 PolarHBondContact O-N 3Å; E25-R29 WeakPolarHBondContact O-CG 3.25Å; E25-R29 PolarHBondContact O-N 3.49Å; E25-R29 IonicContact OE1-CZ 3.18Å; E25-R29 IonicContact OE1-NE 2.76Å; E25-R29 PolarHBondContact OE1-NE 2.87Å; E25-R29 IonicContact OE1-NH2 2.76Å; E25-R29 PolarHBondContact OE1-NH2 2.65Å
26F96.2Very high94Very high61 Ų6149.1 Ų49.127%0.26826%0.26SS..Hα-helixtrans-61.1-51.6175171.7-111.4000111.5E22 L23 K28 R29 E30 L71 V74 L75E22-F26 WeakPolarHBondContact O-CB 3.46Å; E22-F26 PolarHBondContact O-N 3.43Å; L23-F26 PolarHBondContact O-N 3.5Å; F26-K28 PolarHBondContact O-N 3.05Å; F26-R29 PolarHBondContact O-N 3.42Å; F26-E30 WeakPolarHBondContact O-CB 3.17Å; F26-E30 PolarHBondContact O-N 2.91Å; F26-L71 HydrophobicContact CE1-CD2 3.96Å; F26-L71 HydrophobicContact CZ-CD2 3.93Å; F26-V74 HydrophobicContact CE2-CG1 4.47Å; F26-V74 HydrophobicContact CZ-CG1 4.01Å; F26-L75 HydrophobicContact CD1-CD2 3.87Å; F26-L75 HydrophobicContact CE1-CD2 3.97Å; F26-L75 HydrophobicContact CE1-CG 4.25Å
27L95.2Very high93.9Very high0 Ų048.2 Ų48.20%025%0.251CS..Hα-helixtrans-66.3-36.2-178.3-67.7174.2000112.2L23 D24 R29 E30 L31 Y36 F39 I52L23-L27 HydrophobicContact CD1-CD1 3.81Å; L23-L27 HydrophobicContact CD1-CG 3.99Å; L23-L27 HydrophobicContact CG-CD1 3.96Å; L23-L27 HydrophobicContact CG-CG 4.5Å; L23-L27 WeakPolarHBondContact O-CB 3.4Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.48Å; L23-L27 PolarHBondContact O-N 3.12Å; D24-L27 PolarHBondContact O-N 3.42Å; L27-R29 VanDerWaalsContact C-N 3.29Å; L27-R29 PolarHBondContact O-N 3.09Å; L27-E30 PolarHBondContact O-N 3.44Å; L27-L31 HydrophobicContact CD2-CD1 3.98Å; L27-L31 VanDerWaalsContact O-CB 3.3Å; L27-L31 WeakPolarHBondContact O-CB 3.47Å; L27-L31 PolarHBondContact O-N 3.23Å; L27-Y36 HydrophobicContact CB-CD2 4.13Å; L27-Y36 HydrophobicContact CB-CE2 3.55Å; L27-Y36 HydrophobicContact CD1-CE2 3.99Å; L27-Y36 HydrophobicContact CG-CE2 4.38Å; L27-F39 HydrophobicContact CD1-CB 4.18Å; L27-F39 HydrophobicContact CD1-CG 4.36Å; L27-I52 HydrophobicContact CD1-CD1 4.43Å; L27-I52 HydrophobicContact CD1-CG1 4.19Å; L27-I52 HydrophobicContact CD2-CD1 3.96Å
28K93.3Very high93.8Very high40 Ų4047 Ų4717%0.17424%0.239CC..Hα-helixtrans-59.6-38174.6-81.6171.3177.7166.70112.9D24 F26 A32 Y36D24-K28 VanDerWaalsContact O-CB 3.32Å; D24-K28 WeakPolarHBondContact O-CB 3.47Å; D24-K28 WeakPolarHBondContact O-CG 3.36Å; D24-K28 PolarHBondContact O-N 3.49Å; D24-K28 WeakPolarHBondContact OD1-CE 3.39Å; D24-K28 IonicContact OD1-NZ 2.71Å; D24-K28 PolarHBondContact OD1-NZ 3.28Å; D24-K28 VanDerWaalsContact OD2-CE 3.28Å; D24-K28 WeakPolarHBondContact OD2-CE 3.31Å; D24-K28 IonicContact OD2-NZ 3.83Å; D24-K28 PolarHBondContact OD2-NZ 3.1Å; F26-K28 PolarHBondContact O-N 3.05Å; K28-A32 WeakPolarHBondContact O-CB 3.41Å; K28-Y36 HydrophobicContact CB-CD1 4.46Å; K28-Y36 HydrophobicContact CG-CD1 3.64Å; K28-Y36 HydrophobicContact CG-CE1 3.5Å
29R92.5Very high93.7Very high183 Ų18344.7 Ų44.769%0.69122%0.222SC*.Hα-helixtrans-75.9-47.2179.4-69.7179.2-174.4-162.43.1111.5E25 F26 L27E25-R29 WeakPolarHBondContact O-CG 3.25Å; E25-R29 PolarHBondContact O-N 3.49Å; E25-R29 IonicContact OE1-CZ 3.18Å; E25-R29 IonicContact OE1-NE 2.76Å; E25-R29 PolarHBondContact OE1-NE 2.87Å; E25-R29 IonicContact OE1-NH2 2.76Å; E25-R29 PolarHBondContact OE1-NH2 2.65Å; F26-R29 PolarHBondContact O-N 3.42Å; L27-R29 VanDerWaalsContact C-N 3.29Å; L27-R29 PolarHBondContact O-N 3.09Å
30E93.6Very high93.7Very high84 Ų8447.7 Ų47.739%0.39324%0.236SC..Hα-helixtrans-72.9-38.8-174.1-175.352.5-140.300112.7F26 L27 R67 L71F26-E30 WeakPolarHBondContact O-CB 3.17Å; F26-E30 PolarHBondContact O-N 2.91Å; L27-E30 PolarHBondContact O-N 3.44Å; E30-R67 PolarHBondContact O-NH2 2.95Å; E30-R67 IonicContact OE1-CZ 3.75Å; E30-R67 IonicContact OE1-NE 3.68Å; E30-R67 IonicContact OE1-NH2 3.47Å; E30-R67 PolarHBondContact OE1-NH2 3.04Å; E30-L71 HydrophobicContact CG-CD2 3.87Å
31L94.2Very high93.6Very high0 Ų044.2 Ų44.20%022%0.223CC..THydrogen-bonded Turntrans-104.822.8-175.4-56.4178.8000112.9L27 D33 D34 Y36 I52 V60 L71L27-L31 HydrophobicContact CD2-CD1 3.98Å; L27-L31 VanDerWaalsContact O-CB 3.3Å; L27-L31 WeakPolarHBondContact O-CB 3.47Å; L27-L31 PolarHBondContact O-N 3.23Å; L31-D33 VanDerWaalsContact C-N 3.32Å; L31-D33 PolarHBondContact O-N 3.26Å; L31-D34 HydrophobicContact CB-CB 4.49Å; L31-D34 WeakPolarHBondContact CD2-OD2 3.45Å; L31-D34 PolarHBondContact O-N 2.96Å; L31-Y36 HydrophobicContact CB-CD2 4.35Å; L31-Y36 HydrophobicContact CB-CG 4.48Å; L31-Y36 HydrophobicContact CD1-CD2 4.18Å; L31-Y36 WeakPolarHBondContact O-CB 3.46Å; L31-Y36 PolarHBondContact O-N 3.41Å; L31-I52 HydrophobicContact CD1-CD1 4.1Å; L31-I52 HydrophobicContact CD1-CG2 3.84Å; L31-V60 HydrophobicContact CD1-CG1 4.05Å; L31-V60 HydrophobicContact CD1-CG2 4.38Å; L31-V60 HydrophobicContact CD2-CG1 4.28Å; L31-V60 HydrophobicContact CD2-CG2 4.28Å; L31-L71 HydrophobicContact CD2-CD1 4.29Å
32A89.9Confident93.5Very high7 Ų747.8 Ų47.86%0.05822%0.223CC..THydrogen-bonded Turntrans-56.9-44.4-179.600000112.4K28 D34 G35 R108K28-A32 WeakPolarHBondContact O-CB 3.41Å; A32-D34 VanDerWaalsContact C-N 3.31Å; A32-D34 PolarHBondContact O-N 3.47Å; A32-G35 PolarHBondContact O-N 2.92Å; A32-R108 VanDerWaalsContact CB-NH1 3.32Å
33D89.5Confident93.1Very high96 Ų9650.5 Ų50.551%0.51324%0.236SC..THydrogen-bonded Turntrans-77.2-19.1-175.7-62.3-34.3000113.3L31 G35 K56L31-D33 VanDerWaalsContact C-N 3.32Å; L31-D33 PolarHBondContact O-N 3.26Å; D33-G35 VanDerWaalsContact C-N 3.28Å; D33-K56 PolarHBondContact O-NZ 3.34Å
34D92Very high92.7Very high12 Ų1254.1 Ų54.16%0.06426%0.262CS..THydrogen-bonded Turntrans-85.8-3.5-179.7-58.3-47.6000112.7L31 A32 T55 K56 S59 V60 R67L31-D34 HydrophobicContact CB-CB 4.49Å; L31-D34 WeakPolarHBondContact CD2-OD2 3.45Å; L31-D34 PolarHBondContact O-N 2.96Å; A32-D34 VanDerWaalsContact C-N 3.31Å; A32-D34 PolarHBondContact O-N 3.47Å; D34-T55 PolarHBondContact O-OG1 2.84Å; D34-T55 VanDerWaalsContact O-OG1 3.1Å; D34-K56 PolarHBondContact O-N 3.09Å; D34-S59 WeakPolarHBondContact OD1-CB 3.43Å; D34-V60 HydrophobicContact CB-CG2 3.81Å; D34-R67 IonicContact OD1-NH1 3.43Å; D34-R67 IonicContact OD2-CZ 3.86Å; D34-R67 IonicContact OD2-NH1 3.56Å; D34-R67 PolarHBondContact OD2-NH1 3.5Å; D34-R67 IonicContact OD2-NH2 2.8Å
35G89.8Confident92.1Very high11 Ų1164.8 Ų64.811%0.11330%0.299CS..THydrogen-bonded Turntrans68.653.8-177.200000111.3A32 D33 T55A32-G35 PolarHBondContact O-N 2.92Å; D33-G35 VanDerWaalsContact C-N 3.28Å; G35-T55 PolarHBondContact O-N 2.81Å
36Y93.8Very high91.6Very high1 Ų168.2 Ų68.20%0.00431%0.313CS..EExtended strand (participates in β ladder)trans-55.1137.1166.3-179.4-99.5000110.9D24 L27 K28 L31 G38 F39 I52 I101D24-Y36 PolarHBondContact OD1-OH 3.47Å; L27-Y36 HydrophobicContact CB-CD2 4.13Å; L27-Y36 HydrophobicContact CB-CE2 3.55Å; L27-Y36 HydrophobicContact CD1-CE2 3.99Å; L27-Y36 HydrophobicContact CG-CE2 4.38Å; K28-Y36 HydrophobicContact CB-CD1 4.46Å; K28-Y36 HydrophobicContact CG-CD1 3.64Å; K28-Y36 HydrophobicContact CG-CE1 3.5Å; L31-Y36 HydrophobicContact CB-CD2 4.35Å; L31-Y36 HydrophobicContact CB-CG 4.48Å; L31-Y36 HydrophobicContact CD1-CD2 4.18Å; L31-Y36 WeakPolarHBondContact O-CB 3.46Å; L31-Y36 PolarHBondContact O-N 3.41Å; Y36-G38 VanDerWaalsContact CE2-O 3.25Å; Y36-G38 WeakPolarHBondContact CE2-O 3.45Å; Y36-G38 VanDerWaalsContact CZ-CA 3.5Å; Y36-F39 WeakPolarHBondContact OH-CD1 3.42Å; Y36-I52 HydrophobicContact CD2-CG2 4.03Å; Y36-I52 HydrophobicContact CE2-CG2 4.08Å; Y36-I101 WeakPolarHBondContact O-CG2 3.3Å
37S90.6Very high91.3Very high12 Ų1271.7 Ų71.78%0.08433%0.325CS..EExtended strand (participates in β ladder)trans-119.1-38.1175.2176.70000111.9L53 M93 S99 I101S37-L53 PolarHBondContact N-O 2.78Å; S37-M93 WeakPolarHBondContact OG-CE 3.34Å; S37-M93 PolarHBondContact OG-SD 2.77Å; S37-M93 VanDerWaalsContact OG-SD 3.39Å; S37-S99 PolarHBondContact OG-OG 2.98Å; S37-I101 VanDerWaalsContact O-CD1 3.28Å; S37-I101 WeakPolarHBondContact O-CD1 3.39Å
38G92.8Very high91.2Very high14 Ų1472.6 Ų72.614%0.14433%0.33CS..EExtended strand (participates in β ladder)trans175.9-168.6179.700000111.7Y36 L53Y36-G38 VanDerWaalsContact CE2-O 3.25Å; Y36-G38 WeakPolarHBondContact CE2-O 3.45Å; Y36-G38 VanDerWaalsContact CZ-CA 3.5Å; G38-L53 PolarHBondContact N-O 3.49Å; G38-L53 WeakPolarHBondContact O-CB 3.48Å; G38-L53 PolarHBondContact O-N 3.38Å
39F94.8Very high91.2Very high38 Ų3873.9 Ų73.917%0.16734%0.337CS..EExtended strand (participates in β ladder)trans-149159.3178.873.2-66000110.6K20 L23 D24 L27 Y36 V41 V50 I51K20-F39 HydrophobicContact CB-CZ 3.98Å; K20-F39 HydrophobicContact CG-CE2 4.38Å; K20-F39 HydrophobicContact CG-CZ 4.27Å; K20-F39 VanDerWaalsContact O-CZ 3.23Å; K20-F39 WeakPolarHBondContact O-CZ 3.42Å; L23-F39 HydrophobicContact CB-CE2 4.26Å; L23-F39 HydrophobicContact CB-CZ 4.38Å; L23-F39 HydrophobicContact CD2-CD2 3.71Å; L23-F39 HydrophobicContact CD2-CE2 3.52Å; L23-F39 HydrophobicContact CD2-CZ 4.42Å; L23-F39 HydrophobicContact CG-CD2 4.12Å; L23-F39 HydrophobicContact CG-CE2 3.92Å; L23-F39 HydrophobicContact CG-CZ 4.42Å; D24-F39 HydrophobicContact CB-CD1 4.31Å; D24-F39 HydrophobicContact CB-CE1 3.53Å; D24-F39 HydrophobicContact CB-CZ 4.22Å; L27-F39 HydrophobicContact CD1-CB 4.18Å; L27-F39 HydrophobicContact CD1-CG 4.36Å; Y36-F39 WeakPolarHBondContact OH-CD1 3.42Å; F39-V41 HydrophobicContact CD2-CG2 3.64Å; F39-V41 HydrophobicContact CE2-CG2 3.38Å; F39-V50 HydrophobicContact CD2-CG1 4.27Å; F39-I51 CarbonylContact C-O 3.59Å; F39-I51 WeakPolarHBondContact CA-O 3.43Å
40Q94Very high91.3Very high89 Ų8965.2 Ų65.242%0.41630%0.304SS..EExtended strand (participates in β ladder)trans-125.7138.8170.8-61.8-1778.400109.1V50 I51 L53Q40-V50 WeakPolarHBondContact O-CA 3.29Å; Q40-I51 HydrophobicContact CB-CB 4.4Å; Q40-I51 PolarHBondContact N-O 2.81Å; Q40-I51 PolarHBondContact O-N 3.03Å; Q40-L53 HydrophobicContact CG-CD1 4.38Å
41V94.2Very high91.4Very high26 Ų2661.9 Ų61.916%0.15829%0.289CS..EExtended strand (participates in β ladder)trans-110.6123.8174.4-173.40000108.2F19 L23 F39 E43 T48 E49 V50F19-V41 HydrophobicContact CE1-CG1 4.24Å; F19-V41 HydrophobicContact CE1-CG2 4.27Å; L23-V41 HydrophobicContact CD2-CG2 4.27Å; F39-V41 HydrophobicContact CD2-CG2 3.64Å; F39-V41 HydrophobicContact CE2-CG2 3.38Å; V41-E43 HydrophobicContact CG1-CG 3.97Å; V41-T48 HydrophobicContact CG1-CG2 3.81Å; V41-E49 CarbonylContact C-O 3.59Å; V41-E49 WeakPolarHBondContact CA-O 3.21Å; V41-V50 HydrophobicContact CG2-CG2 4.45Å
42R93.4Very high91.5Very high137 Ų13761.9 Ų61.952%0.51729%0.289SS..EExtended strand (participates in β ladder)trans-109.8111.5170.5-60.9-178.8-179.3-176.62.2108.2E49 I51R42-E49 HydrophobicContact CB-CB 4.29Å; R42-E49 PolarHBondContact N-O 2.84Å; R42-E49 PolarHBondContact O-N 2.8Å; R42-I51 HydrophobicContact CG-CD1 4.5Å
43E88.7Confident91.7Very high122 Ų12263 Ų6357%0.5729%0.294SS*.EExtended strand (participates in β ladder)trans-95117178-65.3177.1-166.700109.1V41 T48V41-E43 HydrophobicContact CG1-CG 3.97Å; E43-T48 HydrophobicContact CG-CG2 4.31Å
44S86.5Confident91.9Very high79 Ų7958.4 Ų58.455%0.55227%0.27SS*.  trans-104.2165.1164.8-73.40000109.8K46 Y47S44-K46 PolarHBondContact O-N 2.96Å; S44-K46 VanDerWaalsContact O-N 3.15Å; S44-Y47 CarbonylContact C-O 3.49Å; S44-Y47 WeakPolarHBondContact CA-O 3.39Å; S44-Y47 WeakPolarHBondContact CB-O 3.45Å; S44-Y47 PolarHBondContact N-O 2.78Å
45R83.5Confident92Very high263 Ų26359.3 Ų59.399%0.99228%0.276SS*.SBendtrans-58.6-29.8179.9-67.9-174.9-177.7-177.11.4113.6
46K85.7Confident92.1Very high158 Ų15863.7 Ų63.769%0.68729%0.291SS*.SBendtrans-108.8-29.9-175.9-68.3-175.8177.1-177.50113.9S44S44-K46 PolarHBondContact O-N 2.96Å; S44-K46 VanDerWaalsContact O-N 3.15Å
47Y89.7Confident92.1Very high133 Ų13365 Ų6552%0.52230%0.299SS..  trans-134.1142.7-170.9-53.1-77.4000110.2S44 T85S44-Y47 CarbonylContact C-O 3.49Å; S44-Y47 WeakPolarHBondContact CA-O 3.39Å; S44-Y47 WeakPolarHBondContact CB-O 3.45Å; S44-Y47 PolarHBondContact N-O 2.78Å; Y47-T85 CarbonylContact C-O 3.59Å; Y47-T85 WeakPolarHBondContact CA-O 3.46Å
48T92.2Very high92.3Very high19 Ų1971 Ų7112%0.11733%0.326CS..EExtended strand (participates in β ladder)trans-112.1120.4170.2-55.70000107.9V41 E43 T85 L86 G87V41-T48 HydrophobicContact CG1-CG2 3.81Å; E43-T48 HydrophobicContact CG-CG2 4.31Å; T48-T85 PolarHBondContact N-O 2.69Å; T48-L86 HydrophobicContact CG2-CD1 4.3Å; T48-L86 WeakPolarHBondContact O-CA 3.46Å; T48-G87 PolarHBondContact O-N 3.18Å
49E94.2Very high92.3Very high67 Ų6772.8 Ų72.831%0.31334%0.337SS..EExtended strand (participates in β ladder)trans-104.9127.5177.8-58.8177.4166.500109.4V41 R42 G87 F89V41-E49 CarbonylContact C-O 3.59Å; V41-E49 WeakPolarHBondContact CA-O 3.21Å; R42-E49 HydrophobicContact CB-CB 4.29Å; R42-E49 PolarHBondContact N-O 2.84Å; R42-E49 PolarHBondContact O-N 2.8Å; E49-G87 CarbonylContact C-O 3.54Å; E49-G87 WeakPolarHBondContact CA-O 3.47Å; E49-F89 HydrophobicContact CB-CD2 4.41Å; E49-F89 HydrophobicContact CB-CE2 4.27Å; E49-F89 HydrophobicContact CG-CE2 4.06Å
50V95.4Very high92.2Very high1 Ų171 Ų711%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-110.9112.4173.4179.30000108L23 F39 Q40 V41 I52 L86 G87 L88 F89L23-V50 HydrophobicContact CD2-CG1 3.93Å; L23-V50 HydrophobicContact CD2-CG2 4.08Å; F39-V50 HydrophobicContact CD2-CG1 4.27Å; Q40-V50 WeakPolarHBondContact O-CA 3.29Å; V41-V50 HydrophobicContact CG2-CG2 4.45Å; V50-I52 HydrophobicContact CG1-CG1 4.45Å; V50-L86 HydrophobicContact CG2-CD1 3.93Å; V50-G87 PolarHBondContact N-O 2.98Å; V50-L88 HydrophobicContact CB-CD2 3.96Å; V50-L88 HydrophobicContact CB-CG 4.1Å; V50-L88 HydrophobicContact CG1-CD2 3.92Å; V50-L88 WeakPolarHBondContact O-CA 3.49Å; V50-F89 PolarHBondContact O-N 3.43Å
51I95.4Very high92.2Very high14 Ų1468.8 Ų68.87%0.07232%0.32CS..EExtended strand (participates in β ladder)trans-98.2111.3178.3-54172.2000107.7F39 Q40 R42 F89 E91F39-I51 CarbonylContact C-O 3.59Å; F39-I51 WeakPolarHBondContact CA-O 3.43Å; Q40-I51 HydrophobicContact CB-CB 4.4Å; Q40-I51 PolarHBondContact N-O 2.81Å; Q40-I51 PolarHBondContact O-N 3.03Å; R42-I51 HydrophobicContact CG-CD1 4.5Å; I51-F89 CarbonylContact C-O 3.54Å; I51-F89 WeakPolarHBondContact CA-O 3.45Å; I51-E91 HydrophobicContact CG2-CB 3.85Å
52I95.7Very high92.1Very high0 Ų068.8 Ų68.80%033%0.325CS..EExtended strand (participates in β ladder)trans-85.9124.9176.9-60.4174.9000108.6L27 L31 Y36 V50 A54 V60 L88 F89 E91L27-I52 HydrophobicContact CD1-CD1 4.43Å; L27-I52 HydrophobicContact CD1-CG1 4.19Å; L27-I52 HydrophobicContact CD2-CD1 3.96Å; L31-I52 HydrophobicContact CD1-CD1 4.1Å; L31-I52 HydrophobicContact CD1-CG2 3.84Å; Y36-I52 HydrophobicContact CD2-CG2 4.03Å; Y36-I52 HydrophobicContact CE2-CG2 4.08Å; V50-I52 HydrophobicContact CG1-CG1 4.45Å; I52-A54 HydrophobicContact CG2-CB 4.41Å; I52-V60 HydrophobicContact CD1-CG1 4.4Å; I52-V60 HydrophobicContact CG2-CG1 4.48Å; I52-L88 HydrophobicContact CD1-CD2 3.71Å; I52-L88 HydrophobicContact CG1-CD2 4.22Å; I52-F89 PolarHBondContact N-O 3.22Å; I52-E91 PolarHBondContact O-N 2.93Å
53L94.4Very high92.2Very high31 Ų3170.9 Ų70.916%0.16234%0.34CS..EExtended strand (participates in β ladder)trans-96.6110.3174.6-62167.9000108.9S37 G38 Q40 E91S37-L53 PolarHBondContact N-O 2.78Å; G38-L53 PolarHBondContact N-O 3.49Å; G38-L53 WeakPolarHBondContact O-CB 3.48Å; G38-L53 PolarHBondContact O-N 3.38Å; Q40-L53 HydrophobicContact CG-CD1 4.38Å; L53-E91 HydrophobicContact CD2-CB 4.1Å; L53-E91 HydrophobicContact CD2-CG 4.34Å
54A94.1Very high92.3Very high0 Ų068 Ų680%034%0.343CS..EExtended strand (participates in β ladder)trans-136.1157.2-178.100000111.9I52 V60 E91 M93I52-A54 HydrophobicContact CG2-CB 4.41Å; A54-V60 HydrophobicContact CB-CG2 3.75Å; A54-E91 PolarHBondContact N-O 3.14Å; A54-M93 PolarHBondContact O-N 3.42Å
55T92.6Very high92.6Very high31 Ų3166.8 Ų66.819%0.1933%0.334CS..SBendtrans-78-40.2175.963.70000112.6D34 G35 R96 A102D34-T55 PolarHBondContact O-OG1 2.84Å; D34-T55 VanDerWaalsContact O-OG1 3.1Å; G35-T55 PolarHBondContact O-N 2.81Å; T55-R96 HydrophobicContact CG2-CB 3.72Å; T55-A102 HydrophobicContact CG2-CB 4.31Å
56K92.3Very high93.2Very high103 Ų10361.7 Ų61.745%0.44832%0.315SS..  trans-108.380.5-179.8-59.4175.7-168.7160.80110.6D33 D34 Q58 S59 V60D33-K56 PolarHBondContact O-NZ 3.34Å; D34-K56 PolarHBondContact O-N 3.09Å; K56-Q58 VanDerWaalsContact C-N 3.29Å; K56-Q58 PolarHBondContact O-N 3.19Å; K56-S59 PolarHBondContact O-N 3.1Å; K56-V60 PolarHBondContact O-N 2.94Å
57T94Very high93.6Very high27 Ų2757.1 Ų57.117%0.16629%0.294CS..Hα-helixtrans-61.1-35.5-177.151.90000113.7S59 V60 L61 K92T57-S59 VanDerWaalsContact C-N 3.34Å; T57-S59 PolarHBondContact O-N 3.17Å; T57-V60 PolarHBondContact O-N 3.34Å; T57-L61 WeakPolarHBondContact O-CG 3.28Å; T57-L61 PolarHBondContact O-N 3.07Å; T57-K92 HydrophobicContact CG2-CB 3.74Å; T57-K92 HydrophobicContact CG2-CG 4.45Å
58Q94.1Very high93.8Very high139 Ų13951.5 Ų51.565%0.6527%0.273SS*.Hα-helixtrans-62.6-39.9179.2-65.9-60.8-23.300112.5K56 V60 L61 G62K56-Q58 VanDerWaalsContact C-N 3.29Å; K56-Q58 PolarHBondContact O-N 3.19Å; Q58-V60 VanDerWaalsContact C-N 3.34Å; Q58-V60 PolarHBondContact O-N 3.05Å; Q58-L61 PolarHBondContact O-N 2.97Å; Q58-G62 PolarHBondContact O-N 3.5Å
59S93.4Very high94Very high52 Ų5258 Ų5836%0.36430%0.295SS..Hα-helixtrans-70.6-30.1178.1-53.30000112.7D34 K56 T57 R67D34-S59 WeakPolarHBondContact OD1-CB 3.43Å; K56-S59 PolarHBondContact O-N 3.1Å; T57-S59 VanDerWaalsContact C-N 3.34Å; T57-S59 PolarHBondContact O-N 3.17Å; S59-R67 PolarHBondContact O-NH1 3.19Å
60V93.6Very high94Very high0 Ų059.2 Ų59.20%030%0.301CS..Hα-helixtrans-70.9-40.7172.9179.70000111.5L31 D34 I52 A54 K56 T57 Q58 A90L31-V60 HydrophobicContact CD1-CG1 4.05Å; L31-V60 HydrophobicContact CD1-CG2 4.38Å; L31-V60 HydrophobicContact CD2-CG1 4.28Å; L31-V60 HydrophobicContact CD2-CG2 4.28Å; D34-V60 HydrophobicContact CB-CG2 3.81Å; I52-V60 HydrophobicContact CD1-CG1 4.4Å; I52-V60 HydrophobicContact CG2-CG1 4.48Å; A54-V60 HydrophobicContact CB-CG2 3.75Å; K56-V60 PolarHBondContact O-N 2.94Å; T57-V60 PolarHBondContact O-N 3.34Å; Q58-V60 VanDerWaalsContact C-N 3.34Å; Q58-V60 PolarHBondContact O-N 3.05Å; V60-A90 HydrophobicContact CG1-CB 4.2Å
61L93.9Very high94Very high43 Ų4359.5 Ų59.523%0.22530%0.302CS..Hα-helixtrans-65.4-42.8175.9-71.5165.3000111.2T57 Q58 S65 R67 I68 A90T57-L61 WeakPolarHBondContact O-CG 3.28Å; T57-L61 PolarHBondContact O-N 3.07Å; Q58-L61 PolarHBondContact O-N 2.97Å; L61-S65 CarbonylContact O-C 3.6Å; L61-S65 VanDerWaalsContact O-CA 3.28Å; L61-S65 WeakPolarHBondContact O-CA 3.2Å; L61-R67 WeakPolarHBondContact O-CB 3.34Å; L61-R67 PolarHBondContact O-N 3.09Å; L61-I68 HydrophobicContact CD2-CB 4.42Å; L61-I68 HydrophobicContact CD2-CD1 3.82Å; L61-I68 HydrophobicContact CD2-CG2 4.12Å; L61-I68 PolarHBondContact O-N 2.97Å; L61-A90 HydrophobicContact CG-CB 4.49Å
62G92.2Very high93.9Very high26 Ų2660.2 Ų60.227%0.26831%0.307SS..  trans73.9177.1-174.400000112.9Q58 G64 S65Q58-G62 PolarHBondContact O-N 3.5Å; G62-G64 PolarHBondContact O-N 3.28Å; G62-S65 PolarHBondContact O-N 3.46Å
63E93.9Very high93.8Very high181 Ų18162.9 Ų62.985%0.84633%0.326SS*.G310 helixtrans-60.2123.9-179.9-167.4177.5-174.300111S65 R66E63-S65 PolarHBondContact O-N 2.64Å; E63-S65 VanDerWaalsContact O-N 3.12Å; E63-R66 WeakPolarHBondContact O-CB 3.23Å; E63-R66 PolarHBondContact O-N 3.34Å
64G91.8Very high93.9Very high60 Ų6065 Ų6562%0.61934%0.34SS*.G310 helixtrans5531.7-177.800000114.2G62 R66 R69G62-G64 PolarHBondContact O-N 3.28Å; G64-R66 PolarHBondContact O-N 3.28Å; G64-R69 PolarHBondContact O-NH2 2.99Å
65S92.8Very high93.8Very high54 Ų5465.2 Ų65.238%0.37834%0.341SS..G310 helixtrans56.730-174.1-58.20000113.4L61 G62 E63 I68 R69L61-S65 CarbonylContact O-C 3.6Å; L61-S65 VanDerWaalsContact O-CA 3.28Å; L61-S65 WeakPolarHBondContact O-CA 3.2Å; G62-S65 PolarHBondContact O-N 3.46Å; E63-S65 PolarHBondContact O-N 2.64Å; E63-S65 VanDerWaalsContact O-N 3.12Å; S65-I68 WeakPolarHBondContact O-CG2 3.44Å; S65-R69 VanDerWaalsContact O-CG 3.32Å; S65-R69 WeakPolarHBondContact O-CG 3.4Å; S65-R69 PolarHBondContact O-N 2.85Å; S65-R69 PolarHBondContact O-NE 3.44Å
66R95.6Very high93.8Very high156 Ų15665.2 Ų65.259%0.58934%0.339SS*.Hα-helixtrans-67-48.6179177.9179.2171.3177.9-0.6111.5E63 G64 I68 R69 E70E63-R66 WeakPolarHBondContact O-CB 3.23Å; E63-R66 PolarHBondContact O-N 3.34Å; G64-R66 PolarHBondContact O-N 3.28Å; R66-I68 PolarHBondContact O-N 3.44Å; R66-R69 WeakPolarHBondContact O-CB 3.28Å; R66-R69 PolarHBondContact O-N 2.9Å; R66-R69 VanDerWaalsContact O-N 3.16Å; R66-E70 HydrophobicContact CG-CG 4.47Å; R66-E70 WeakPolarHBondContact CG-OE1 3.39Å; R66-E70 IonicContact CZ-OE1 3.71Å; R66-E70 IonicContact NE-OE1 2.69Å; R66-E70 PolarHBondContact NE-OE1 2.98Å; R66-E70 IonicContact NH2-OE1 2.75Å; R66-E70 PolarHBondContact NH2-OE1 3.13Å; R66-E70 WeakPolarHBondContact O-CG 3.27Å; R66-E70 PolarHBondContact O-N 3.43Å
67R94.6Very high93.9Very high62 Ų6268.9 Ų68.923%0.23436%0.355CS..Hα-helixtrans-64-42.6-174.5-167.3173.4-168.8-165.8-4.1111.6E30 D34 S59 L61 R69 E70 L71E30-R67 PolarHBondContact O-NH2 2.95Å; E30-R67 IonicContact OE1-CZ 3.75Å; E30-R67 IonicContact OE1-NE 3.68Å; E30-R67 IonicContact OE1-NH2 3.47Å; E30-R67 PolarHBondContact OE1-NH2 3.04Å; D34-R67 IonicContact OD1-NH1 3.43Å; D34-R67 IonicContact OD2-CZ 3.86Å; D34-R67 IonicContact OD2-NH1 3.56Å; D34-R67 PolarHBondContact OD2-NH1 3.5Å; D34-R67 IonicContact OD2-NH2 2.8Å; S59-R67 PolarHBondContact O-NH1 3.19Å; L61-R67 WeakPolarHBondContact O-CB 3.34Å; L61-R67 PolarHBondContact O-N 3.09Å; R67-R69 VanDerWaalsContact C-N 3.33Å; R67-R69 PolarHBondContact O-N 3.35Å; R67-E70 PolarHBondContact O-N 2.61Å; R67-L71 WeakPolarHBondContact O-CG 3.21Å; R67-L71 PolarHBondContact O-N 2.89Å
68I94.7Very high93.9Very high16 Ų1675.8 Ų75.88%0.08238%0.378CS..Hα-helixtrans-64.7-36.4176.4-163162.9000112.3L61 S65 R66 L71 T72 L88L61-I68 HydrophobicContact CD2-CB 4.42Å; L61-I68 HydrophobicContact CD2-CD1 3.82Å; L61-I68 HydrophobicContact CD2-CG2 4.12Å; L61-I68 PolarHBondContact O-N 2.97Å; S65-I68 WeakPolarHBondContact O-CG2 3.44Å; R66-I68 PolarHBondContact O-N 3.44Å; I68-L71 PolarHBondContact O-N 3.46Å; I68-T72 PolarHBondContact O-N 3.42Å; I68-T72 PolarHBondContact O-OG1 2.88Å; I68-L88 HydrophobicContact CD1-CB 4.22Å; I68-L88 WeakPolarHBondContact CD1-O 3.11Å; I68-L88 HydrophobicContact CG1-CB 4Å
69R94.5Very high93.8Very high155 Ų15571.8 Ų71.859%0.58536%0.359SS*.Hα-helixtrans-66.6-38.7174.8-75.9-176.5-75.2164.4-7.3112.5G64 S65 R66 R67 T72 S73G64-R69 PolarHBondContact O-NH2 2.99Å; S65-R69 VanDerWaalsContact O-CG 3.32Å; S65-R69 WeakPolarHBondContact O-CG 3.4Å; S65-R69 PolarHBondContact O-N 2.85Å; S65-R69 PolarHBondContact O-NE 3.44Å; R66-R69 WeakPolarHBondContact O-CB 3.28Å; R66-R69 PolarHBondContact O-N 2.9Å; R66-R69 VanDerWaalsContact O-N 3.16Å; R67-R69 VanDerWaalsContact C-N 3.33Å; R67-R69 PolarHBondContact O-N 3.35Å; R69-T72 PolarHBondContact O-N 2.78Å; R69-S73 WeakPolarHBondContact O-CB 3.32Å; R69-S73 PolarHBondContact O-N 2.7Å; R69-S73 PolarHBondContact O-OG 3.28Å
70E94.7Very high93.6Very high92 Ų9272.6 Ų72.643%0.4338%0.375SS..Hα-helixtrans-62.7-47.9173.2-71.7171.2177.300110.6R66 R67 T72 S73 V74R66-E70 HydrophobicContact CG-CG 4.47Å; R66-E70 WeakPolarHBondContact CG-OE1 3.39Å; R66-E70 IonicContact CZ-OE1 3.71Å; R66-E70 IonicContact NE-OE1 2.69Å; R66-E70 PolarHBondContact NE-OE1 2.98Å; R66-E70 IonicContact NH2-OE1 2.75Å; R66-E70 PolarHBondContact NH2-OE1 3.13Å; R66-E70 WeakPolarHBondContact O-CG 3.27Å; R66-E70 PolarHBondContact O-N 3.43Å; R67-E70 PolarHBondContact O-N 2.61Å; E70-T72 PolarHBondContact O-N 2.81Å; E70-S73 WeakPolarHBondContact O-CB 3.14Å; E70-S73 PolarHBondContact O-N 3.31Å; E70-S73 VanDerWaalsContact O-N 3.13Å; E70-V74 WeakPolarHBondContact O-CG2 3.28Å; E70-V74 PolarHBondContact O-N 3.38Å
71L94.9Very high93.4Very high8 Ų875.2 Ų75.24%0.04239%0.386CS..Hα-helixtrans-59.2-44.1175.6-68.9174000112F26 E30 L31 R67 I68 S73 V74 L75F26-L71 HydrophobicContact CE1-CD2 3.96Å; F26-L71 HydrophobicContact CZ-CD2 3.93Å; E30-L71 HydrophobicContact CG-CD2 3.87Å; L31-L71 HydrophobicContact CD2-CD1 4.29Å; R67-L71 WeakPolarHBondContact O-CG 3.21Å; R67-L71 PolarHBondContact O-N 2.89Å; I68-L71 PolarHBondContact O-N 3.46Å; L71-S73 VanDerWaalsContact C-N 3.32Å; L71-S73 PolarHBondContact O-N 2.89Å; L71-V74 PolarHBondContact O-N 2.88Å; L71-L75 WeakPolarHBondContact O-CB 3.47Å; L71-L75 VanDerWaalsContact O-CG 3.28Å; L71-L75 WeakPolarHBondContact O-CG 3.45Å; L71-L75 PolarHBondContact O-N 3.43Å
72T94.5Very high93.1Very high28 Ų2876.2 Ų76.217%0.17240%0.401CS..Hα-helixtrans-57.7-46.1174.2-54.90000111.2I68 R69 E70 V74 L75 Q76 L86 L88I68-T72 PolarHBondContact O-N 3.42Å; I68-T72 PolarHBondContact O-OG1 2.88Å; R69-T72 PolarHBondContact O-N 2.78Å; E70-T72 PolarHBondContact O-N 2.81Å; T72-V74 PolarHBondContact O-N 2.92Å; T72-L75 PolarHBondContact O-N 3.27Å; T72-Q76 WeakPolarHBondContact O-CB 3.35Å; T72-Q76 PolarHBondContact O-N 3.42Å; T72-L86 HydrophobicContact CG2-CD2 4.46Å; T72-L88 HydrophobicContact CG2-CD1 3.98Å; T72-L88 WeakPolarHBondContact OG1-CD1 3.49Å
73S94.1Very high92.9Very high57 Ų5781.8 Ų81.840%0.39942%0.424SS..Hα-helixtrans-64.4-41.2-179.4-58.80000112.4R69 E70 L71 K77R69-S73 WeakPolarHBondContact O-CB 3.32Å; R69-S73 PolarHBondContact O-N 2.7Å; R69-S73 PolarHBondContact O-OG 3.28Å; E70-S73 WeakPolarHBondContact O-CB 3.14Å; E70-S73 PolarHBondContact O-N 3.31Å; E70-S73 VanDerWaalsContact O-N 3.13Å; L71-S73 VanDerWaalsContact C-N 3.32Å; L71-S73 PolarHBondContact O-N 2.89Å; S73-K77 WeakPolarHBondContact O-CB 3.12Å; S73-K77 WeakPolarHBondContact O-CG 3.27Å; S73-K77 PolarHBondContact O-N 2.97Å; S73-K77 VanDerWaalsContact O-N 3.09Å
74V95.1Very high92.6Very high75 Ų7576 Ų7646%0.45541%0.414SS..Hα-helixtrans-64.2-49.1177.3172.10000110.6F26 E70 L71 T72 Q76 K77 R78F26-V74 HydrophobicContact CE2-CG1 4.47Å; F26-V74 HydrophobicContact CZ-CG1 4.01Å; E70-V74 WeakPolarHBondContact O-CG2 3.28Å; E70-V74 PolarHBondContact O-N 3.38Å; L71-V74 PolarHBondContact O-N 2.88Å; T72-V74 PolarHBondContact O-N 2.92Å; V74-Q76 PolarHBondContact O-N 3.39Å; V74-K77 PolarHBondContact O-N 3.22Å; V74-R78 VanDerWaalsContact O-CB 3.25Å; V74-R78 WeakPolarHBondContact O-CB 3.41Å; V74-R78 PolarHBondContact O-N 3.4Å
75L93.4Very high92.5Very high5 Ų574.9 Ų74.93%0.02640%0.395CS..Hα-helixtrans-64.9-41.1-179.2-70.7174.2000111.9L23 F26 L71 T72 R78 F79 L86 L88L23-L75 HydrophobicContact CD1-CD1 3.85Å; L23-L75 HydrophobicContact CD1-CD2 3.49Å; L23-L75 VanDerWaalsContact CD1-CD2 3.49Å; L23-L75 HydrophobicContact CD1-CG 4.35Å; F26-L75 HydrophobicContact CD1-CD2 3.87Å; F26-L75 HydrophobicContact CE1-CD2 3.97Å; F26-L75 HydrophobicContact CE1-CG 4.25Å; L71-L75 WeakPolarHBondContact O-CB 3.47Å; L71-L75 VanDerWaalsContact O-CG 3.28Å; L71-L75 WeakPolarHBondContact O-CG 3.45Å; L71-L75 PolarHBondContact O-N 3.43Å; T72-L75 PolarHBondContact O-N 3.27Å; L75-R78 PolarHBondContact O-N 3.16Å; L75-F79 HydrophobicContact CD2-CD2 4.26Å; L75-F79 HydrophobicContact CD2-CE2 3.78Å; L75-F79 VanDerWaalsContact O-CD2 3.31Å; L75-F79 WeakPolarHBondContact O-CD2 3.3Å; L75-F79 PolarHBondContact O-N 3.24Å; L75-L86 HydrophobicContact CB-CD2 3.64Å; L75-L88 HydrophobicContact CD1-CD1 3.74Å; L75-L88 HydrophobicContact CD1-CD2 3.69Å; L75-L88 HydrophobicContact CD1-CG 4.3Å
76Q92.6Very high92.6Very high31 Ų3172.9 Ų72.915%0.14538%0.38CS..Hα-helixtrans-61.9-47.7178-164.9-163.4-4200111.6T72 V74 G80 F81 D83 L86T72-Q76 WeakPolarHBondContact O-CB 3.35Å; T72-Q76 PolarHBondContact O-N 3.42Å; V74-Q76 PolarHBondContact O-N 3.39Å; Q76-G80 WeakPolarHBondContact O-CA 3.47Å; Q76-G80 PolarHBondContact O-N 2.92Å; Q76-F81 HydrophobicContact CG-CB 3.79Å; Q76-F81 WeakPolarHBondContact CG-O 3.33Å; Q76-F81 PolarHBondContact NE2-O 2.9Å; Q76-F81 PolarHBondContact O-N 3.38Å; Q76-F81 VanDerWaalsContact O-N 3.12Å; Q76-D83 VanDerWaalsContact NE2-CA 3.31Å; Q76-D83 PolarHBondContact NE2-OD1 3.02Å; Q76-L86 HydrophobicContact CB-CD2 4.36Å
77K94.2Very high92.4Very high179 Ų17966.5 Ų66.578%0.77836%0.363SS*.Hα-helixtrans-66.3-40.1177.9-72.4177.3-178.5179.80112.5S73 V74S73-K77 WeakPolarHBondContact O-CB 3.12Å; S73-K77 WeakPolarHBondContact O-CG 3.27Å; S73-K77 PolarHBondContact O-N 2.97Å; S73-K77 VanDerWaalsContact O-N 3.09Å; V74-K77 PolarHBondContact O-N 3.22Å
78R94.1Very high92.4Very high172 Ų17264.2 Ų64.265%0.64936%0.355SS*.Hα-helixtrans-64.6-44.5-179.1178.760.4174.4-156.21.4112.1E22 V74 L75E22-R78 IonicContact OE1-CZ 3.23Å; E22-R78 VanDerWaalsContact OE1-CZ 3.23Å; E22-R78 IonicContact OE1-NE 2.9Å; E22-R78 PolarHBondContact OE1-NE 2.89Å; E22-R78 IonicContact OE1-NH2 2.72Å; E22-R78 PolarHBondContact OE1-NH2 3.13Å; V74-R78 VanDerWaalsContact O-CB 3.25Å; V74-R78 WeakPolarHBondContact O-CB 3.41Å; V74-R78 PolarHBondContact O-N 3.4Å; L75-R78 PolarHBondContact O-N 3.16Å
79F90.9Very high92.4Very high56 Ų5668.6 Ų68.625%0.24637%0.374CS..Hα-helixtrans-96.5-4.9-174.6-66.2-66000114.2F19 E22 L75 F81F19-F79 AromaticContact CD2-CD1 3.57Å; F19-F79 HydrophobicContact CD2-CD1 3.57Å; F19-F79 HydrophobicContact CD2-CD2 4.1Å; F19-F79 AromaticContact CD2-CE1 3.5Å; F19-F79 HydrophobicContact CD2-CE1 3.5Å; F19-F79 VanDerWaalsContact CD2-CE1 3.5Å; F19-F79 HydrophobicContact CD2-CE2 4.02Å; F19-F79 AromaticContact CD2-CG 3.87Å; F19-F79 HydrophobicContact CD2-CG 3.87Å; F19-F79 AromaticContact CD2-CZ 3.72Å; F19-F79 HydrophobicContact CD2-CZ 3.72Å; F19-F79 HydrophobicContact CE2-CB 4.4Å; F19-F79 AromaticContact CE2-CD1 3.89Å; F19-F79 HydrophobicContact CE2-CD1 3.89Å; F19-F79 AromaticContact CE2-CD2 3.57Å; F19-F79 HydrophobicContact CE2-CD2 3.57Å; F19-F79 AromaticContact CE2-CE1 3.99Å; F19-F79 HydrophobicContact CE2-CE1 3.99Å; F19-F79 AromaticContact CE2-CE2 3.67Å; F19-F79 HydrophobicContact CE2-CE2 3.67Å; F19-F79 AromaticContact CE2-CG 3.68Å; F19-F79 HydrophobicContact CE2-CG 3.68Å; F19-F79 AromaticContact CE2-CZ 3.88Å; F19-F79 HydrophobicContact CE2-CZ 3.88Å; E22-F79 HydrophobicContact CB-CZ 4.28Å; E22-F79 HydrophobicContact CG-CE1 4.43Å; E22-F79 HydrophobicContact CG-CZ 4.08Å; E22-F79 WeakPolarHBondContact OE2-CE1 3.47Å; L75-F79 HydrophobicContact CD2-CD2 4.26Å; L75-F79 HydrophobicContact CD2-CE2 3.78Å; L75-F79 VanDerWaalsContact O-CD2 3.31Å; L75-F79 WeakPolarHBondContact O-CD2 3.3Å; L75-F79 PolarHBondContact O-N 3.24Å; F79-F81 HydrophobicContact CB-CD2 3.65Å; F79-F81 HydrophobicContact CB-CE2 3.49Å; F79-F81 VanDerWaalsContact CB-CE2 3.49Å; F79-F81 HydrophobicContact CB-CZ 4.46Å; F79-F81 HydrophobicContact CD2-CE2 4.42Å; F79-F81 HydrophobicContact CG-CE2 4.21Å
80G89.5Confident92.4Very high68 Ų6862.6 Ų62.670%0.70136%0.357SS*.THydrogen-bonded Turntrans7135.6177.400000113.4Q76Q76-G80 WeakPolarHBondContact O-CA 3.47Å; Q76-G80 PolarHBondContact O-N 2.92Å
81F88.8Confident92.5Very high56 Ų5662.9 Ų62.925%0.24636%0.359CS..PPolyproline II helixtrans-74.1145.4173-73.8-71.3000110.6F19 Q76 F79 L86F19-F81 AromaticContact CE2-CE2 3.98Å; F19-F81 HydrophobicContact CE2-CE2 3.98Å; F19-F81 HydrophobicContact CE2-CZ 4.21Å; F19-F81 HydrophobicContact CZ-CE2 4.23Å; F19-F81 HydrophobicContact CZ-CZ 4.22Å; Q76-F81 HydrophobicContact CG-CB 3.79Å; Q76-F81 WeakPolarHBondContact CG-O 3.33Å; Q76-F81 PolarHBondContact NE2-O 2.9Å; Q76-F81 PolarHBondContact O-N 3.38Å; Q76-F81 VanDerWaalsContact O-N 3.12Å; F79-F81 HydrophobicContact CB-CD2 3.65Å; F79-F81 HydrophobicContact CB-CE2 3.49Å; F79-F81 VanDerWaalsContact CB-CE2 3.49Å; F79-F81 HydrophobicContact CB-CZ 4.46Å; F79-F81 HydrophobicContact CD2-CE2 4.42Å; F79-F81 HydrophobicContact CG-CE2 4.21Å; F81-L86 HydrophobicContact CD2-CD2 4.34Å; F81-L86 HydrophobicContact CE2-CD1 4.43Å
82A89.1Confident92.4Very high64 Ų6469.3 Ų69.353%0.52939%0.386SS..PPolyproline II helixtrans-69.9151.5173.100000110.7G84 T85A82-G84 PolarHBondContact O-N 3.33Å; A82-T85 HydrophobicContact CB-CG2 3.86Å; A82-T85 PolarHBondContact N-OG1 3.36Å; A82-T85 WeakPolarHBondContact O-CB 3.5Å; A82-T85 PolarHBondContact O-N 3.45Å; A82-T85 VanDerWaalsContact O-N 3.09Å; A82-T85 PolarHBondContact O-OG1 3.18Å
83D87.4Confident92.2Very high142 Ų14270 Ų7076%0.75939%0.388SS*.THydrogen-bonded Turntrans-54.6132.2-179.4-64.6-50000111.3Q76 T85Q76-D83 VanDerWaalsContact NE2-CA 3.31Å; Q76-D83 PolarHBondContact NE2-OD1 3.02Å; D83-T85 VanDerWaalsContact C-N 3.25Å; D83-T85 PolarHBondContact O-N 3.45Å
84G86.5Confident91.9Very high61 Ų6172.8 Ų72.863%0.62940%0.403SS*.THydrogen-bonded Turntrans75.40.9179.700000116A82A82-G84 PolarHBondContact O-N 3.33Å
85T91.7Very high91.6Very high35 Ų3572.6 Ų72.622%0.21540%0.396CS..SBendtrans-84.2-20.1176.361.10000114Y47 T48 A82 D83Y47-T85 CarbonylContact C-O 3.59Å; Y47-T85 WeakPolarHBondContact CA-O 3.46Å; T48-T85 PolarHBondContact N-O 2.69Å; A82-T85 HydrophobicContact CB-CG2 3.86Å; A82-T85 PolarHBondContact N-OG1 3.36Å; A82-T85 WeakPolarHBondContact O-CB 3.5Å; A82-T85 PolarHBondContact O-N 3.45Å; A82-T85 VanDerWaalsContact O-N 3.09Å; A82-T85 PolarHBondContact O-OG1 3.18Å; D83-T85 VanDerWaalsContact C-N 3.25Å; D83-T85 PolarHBondContact O-N 3.45Å
86L93.2Very high91.5Very high12 Ų1279.1 Ų79.16%0.06342%0.42CS..EExtended strand (participates in β ladder)trans-104.8121179.6-178.169.4000110.5T48 V50 T72 L75 Q76 F81 L88T48-L86 HydrophobicContact CG2-CD1 4.3Å; T48-L86 WeakPolarHBondContact O-CA 3.46Å; V50-L86 HydrophobicContact CG2-CD1 3.93Å; T72-L86 HydrophobicContact CG2-CD2 4.46Å; L75-L86 HydrophobicContact CB-CD2 3.64Å; Q76-L86 HydrophobicContact CB-CD2 4.36Å; F81-L86 HydrophobicContact CD2-CD2 4.34Å; F81-L86 HydrophobicContact CE2-CD1 4.43Å; L86-L88 HydrophobicContact CD2-CD1 4.03Å; L86-L88 HydrophobicContact CG-CD1 4.21Å
87G92.6Very high91.5Very high23 Ų2377.8 Ų77.824%0.23741%0.414CS..EExtended strand (participates in β ladder)trans-111.6128.7171.500000111T48 E49 V50T48-G87 PolarHBondContact O-N 3.18Å; E49-G87 CarbonylContact C-O 3.54Å; E49-G87 WeakPolarHBondContact CA-O 3.47Å; V50-G87 PolarHBondContact N-O 2.98Å
88L94.6Very high91.5Very high14 Ų1469.8 Ų69.87%0.07338%0.38CS..EExtended strand (participates in β ladder)trans-107.7132.9171.3-80.3120.4000110.7V50 I52 I68 T72 L75 L86V50-L88 HydrophobicContact CB-CD2 3.96Å; V50-L88 HydrophobicContact CB-CG 4.1Å; V50-L88 HydrophobicContact CG1-CD2 3.92Å; V50-L88 WeakPolarHBondContact O-CA 3.49Å; I52-L88 HydrophobicContact CD1-CD2 3.71Å; I52-L88 HydrophobicContact CG1-CD2 4.22Å; I68-L88 HydrophobicContact CD1-CB 4.22Å; I68-L88 WeakPolarHBondContact CD1-O 3.11Å; I68-L88 HydrophobicContact CG1-CB 4Å; T72-L88 HydrophobicContact CG2-CD1 3.98Å; T72-L88 WeakPolarHBondContact OG1-CD1 3.49Å; L75-L88 HydrophobicContact CD1-CD1 3.74Å; L75-L88 HydrophobicContact CD1-CD2 3.69Å; L75-L88 HydrophobicContact CD1-CG 4.3Å; L86-L88 HydrophobicContact CD2-CD1 4.03Å; L86-L88 HydrophobicContact CG-CD1 4.21Å
89F94.6Very high91.5Very high108 Ų10862 Ų6247%0.47435%0.352SS..EExtended strand (participates in β ladder)trans-127.6145.1178.1-61.2-79.9000109.7E49 V50 I51 I52E49-F89 HydrophobicContact CB-CD2 4.41Å; E49-F89 HydrophobicContact CB-CE2 4.27Å; E49-F89 HydrophobicContact CG-CE2 4.06Å; V50-F89 PolarHBondContact O-N 3.43Å; I51-F89 CarbonylContact C-O 3.54Å; I51-F89 WeakPolarHBondContact CA-O 3.45Å; I52-F89 PolarHBondContact N-O 3.22Å
90A94.9Very high91.7Very high29 Ų2959.3 Ų59.324%0.2434%0.34CS..EExtended strand (participates in β ladder)trans-110.5121.2174.600000109.4V60 L61V60-A90 HydrophobicContact CG1-CB 4.2Å; L61-A90 HydrophobicContact CG-CB 4.49Å
91E95Very high91.9Very high98 Ų9857.3 Ų57.346%0.45831%0.313SS..EExtended strand (participates in β ladder)trans-112.4139176.7-174.5176.9179.200110I51 I52 L53 A54I51-E91 HydrophobicContact CG2-CB 3.85Å; I52-E91 PolarHBondContact O-N 2.93Å; L53-E91 HydrophobicContact CD2-CB 4.1Å; L53-E91 HydrophobicContact CD2-CG 4.34Å; A54-E91 PolarHBondContact N-O 3.14Å
92K93.8Very high92.1Very high143 Ų14355 Ų5562%0.62230%0.304SS*.EExtended strand (participates in β ladder)trans-77.9126.2-179.7-173.9177.9-179.9-1790109.7T57 T94T57-K92 HydrophobicContact CG2-CB 3.74Å; T57-K92 HydrophobicContact CG2-CG 4.45Å; K92-T94 PolarHBondContact O-N 3.38Å
93M89.4Confident92.4Very high43 Ų4352.2 Ų52.221%0.21228%0.28CS..  trans-66122.8173.3-175.7168.9-117.900111.1S37 A54S37-M93 WeakPolarHBondContact OG-CE 3.34Å; S37-M93 PolarHBondContact OG-SD 2.77Å; S37-M93 VanDerWaalsContact OG-SD 3.39Å; A54-M93 PolarHBondContact O-N 3.42Å
94T87.7Confident92.9Very high115 Ų11545.5 Ų45.571%0.70624%0.244SC*.SBendtrans-68.3-46.4179.449.70000112.2K92K92-T94 PolarHBondContact O-N 3.38Å
95F89.4Confident93.2Very high71 Ų7143.1 Ų43.131%0.31122%0.217SC..  trans-113.467.1-175.6-54.2-64.3000112.7G97 L98 K199 K200F95-G97 PolarHBondContact O-N 3.28Å; F95-G97 VanDerWaalsContact O-N 3.11Å; F95-L98 HydrophobicContact CB-CB 4.27Å; F95-L98 HydrophobicContact CB-CD1 3.93Å; F95-L98 HydrophobicContact CB-CG 4.22Å; F95-L98 HydrophobicContact CG-CD1 4.28Å; F95-L98 PolarHBondContact O-N 3.19Å; F95-L98 VanDerWaalsContact O-N 3.11Å; F95-K199 HydrophobicContact CE2-CB 4.35Å; F95-K200 HydrophobicContact CD1-CG 4.18Å; F95-K200 HydrophobicContact CD2-CG 3.81Å; F95-K200 HydrophobicContact CE1-CD 4.14Å; F95-K200 HydrophobicContact CE1-CG 3.9Å; F95-K200 HydrophobicContact CE2-CG 3.48Å; F95-K200 VanDerWaalsContact CE2-CG 3.48Å; F95-K200 HydrophobicContact CG-CG 4.15Å; F95-K200 HydrophobicContact CZ-CD 4.12Å; F95-K200 VanDerWaalsContact CZ-CE 3.49Å; F95-K200 HydrophobicContact CZ-CG 3.53Å
96R90.7Very high93.3Very high142 Ų14243.5 Ų43.554%0.53622%0.221SC..THydrogen-bonded Turntrans-57.4-28.8-177.771.8175.8-175.7171.72.7114.6T55 L98 Q103 F127T55-R96 HydrophobicContact CG2-CB 3.72Å; R96-L98 VanDerWaalsContact C-N 3.33Å; R96-Q103 PolarHBondContact O-NE2 3.47Å; R96-F127 HydrophobicContact CG-CE1 4.17Å; R96-F127 HydrophobicContact CG-CZ 4.02Å
97G93.1Very high93.4Very high2 Ų242.9 Ų42.92%0.02122%0.218CC..THydrogen-bonded Turntrans-73-24.8-179.200000113.9F95 S131F95-G97 PolarHBondContact O-N 3.28Å; F95-G97 VanDerWaalsContact O-N 3.11Å; G97-S131 WeakPolarHBondContact CA-OG 3.28Å
98L94Very high93.5Very high12 Ų1245.4 Ų45.46%0.06322%0.22CC..THydrogen-bonded Turntrans-89.4-9.7-177.9-61.9179.4000113.1F95 R96 A133 L192 K200F95-L98 HydrophobicContact CB-CB 4.27Å; F95-L98 HydrophobicContact CB-CD1 3.93Å; F95-L98 HydrophobicContact CB-CG 4.22Å; F95-L98 HydrophobicContact CG-CD1 4.28Å; F95-L98 PolarHBondContact O-N 3.19Å; F95-L98 VanDerWaalsContact O-N 3.11Å; R96-L98 VanDerWaalsContact C-N 3.33Å; L98-A133 HydrophobicContact CD2-CB 3.93Å; L98-L192 HydrophobicContact CB-CD2 3.91Å; L98-L192 HydrophobicContact CD2-CD2 4.43Å; L98-K200 HydrophobicContact CD1-CB 3.95Å; L98-K200 HydrophobicContact CD1-CG 4.26Å
99S93.7Very high93.5Very high7 Ų749.3 Ų49.35%0.04924%0.235CC..  trans-89.3118177.1-179.90000111.7S37 I101 A102 Q103S37-S99 PolarHBondContact OG-OG 2.98Å; S99-I101 VanDerWaalsContact C-N 3.29Å; S99-I101 PolarHBondContact O-N 3.43Å; S99-A102 PolarHBondContact O-N 3.03Å; S99-Q103 WeakPolarHBondContact O-CG 3.34Å; S99-Q103 PolarHBondContact O-N 3Å; S99-Q103 VanDerWaalsContact O-N 3.13Å
100A95.5Very high93.5Very high0 Ų047.2 Ų47.20%023%0.225CC..Hα-helixtrans-64.2-35.9-179.700000111.8Q103 A104 D171 A173 V188 I190A100-Q103 PolarHBondContact O-N 3.45Å; A100-A104 VanDerWaalsContact O-CB 3.27Å; A100-A104 WeakPolarHBondContact O-CB 3.11Å; A100-A104 PolarHBondContact O-N 2.97Å; A100-D171 HydrophobicContact CB-CB 3.98Å; A100-D171 WeakPolarHBondContact CB-OD2 3.14Å; A100-D171 PolarHBondContact N-OD2 3.05Å; A100-A173 VanDerWaalsContact C-CB 3.42Å; A100-A173 HydrophobicContact CB-CB 3.85Å; A100-A173 WeakPolarHBondContact O-CB 3.39Å; A100-V188 HydrophobicContact CB-CG1 4.36Å; A100-I190 HydrophobicContact CB-CD1 4.22Å; A100-I190 HydrophobicContact CB-CG1 4.22Å
101I94.5Very high93.5Very high26 Ų2646.1 Ų46.113%0.13322%0.216CC..Hα-helixtrans-64-50178.8-66.4169.5000110.7Y36 S37 S99 Q103 A104 E105 A173 R175Y36-I101 WeakPolarHBondContact O-CG2 3.3Å; S37-I101 VanDerWaalsContact O-CD1 3.28Å; S37-I101 WeakPolarHBondContact O-CD1 3.39Å; S99-I101 VanDerWaalsContact C-N 3.29Å; S99-I101 PolarHBondContact O-N 3.43Å; I101-Q103 VanDerWaalsContact C-N 3.29Å; I101-Q103 PolarHBondContact O-N 3.38Å; I101-A104 PolarHBondContact O-N 3.1Å; I101-E105 PolarHBondContact O-N 3.29Å; I101-A173 HydrophobicContact CB-CB 4.44Å; I101-A173 HydrophobicContact CG1-CB 3.93Å; I101-R175 VanDerWaalsContact CG2-NH2 3.32Å
102A93.8Very high93.5Very high7 Ų745.2 Ų45.26%0.05822%0.217CC..Hα-helixtrans-61.7-39.4179.600000111.6T55 S99 S106T55-A102 HydrophobicContact CG2-CB 4.31Å; S99-A102 PolarHBondContact O-N 3.03Å; A102-S106 WeakPolarHBondContact O-CB 3.16Å; A102-S106 PolarHBondContact O-N 2.87Å
103Q95.5Very high93.5Very high7 Ų746.2 Ų46.23%0.03322%0.218CC..Hα-helixtrans-70.3-36.7176.6-64.3-48.6-4900112.9R96 S99 A100 I101 S106 L107 I124 I128 V188 I190R96-Q103 PolarHBondContact O-NE2 3.47Å; S99-Q103 WeakPolarHBondContact O-CG 3.34Å; S99-Q103 PolarHBondContact O-N 3Å; S99-Q103 VanDerWaalsContact O-N 3.13Å; A100-Q103 PolarHBondContact O-N 3.45Å; I101-Q103 VanDerWaalsContact C-N 3.29Å; I101-Q103 PolarHBondContact O-N 3.38Å; Q103-S106 PolarHBondContact O-N 2.81Å; Q103-L107 PolarHBondContact O-N 2.83Å; Q103-I124 HydrophobicContact CB-CG2 4.12Å; Q103-I128 HydrophobicContact CB-CD1 4.24Å; Q103-I128 HydrophobicContact CG-CD1 4.05Å; Q103-I128 HydrophobicContact CG-CG1 3.85Å; Q103-V188 HydrophobicContact CB-CG1 4.4Å; Q103-I190 HydrophobicContact CB-CD1 4.49Å; Q103-I190 HydrophobicContact CG-CD1 4.07Å
104A95.8Very high93.6Very high0 Ų047.2 Ų47.20%024%0.239CC..Hα-helixtrans-66.5-41.117600000112.1A100 I101 L107 R108 A173 R175 I186 V188A100-A104 VanDerWaalsContact O-CB 3.27Å; A100-A104 WeakPolarHBondContact O-CB 3.11Å; A100-A104 PolarHBondContact O-N 2.97Å; I101-A104 PolarHBondContact O-N 3.1Å; A104-L107 PolarHBondContact O-N 2.97Å; A104-R108 PolarHBondContact O-N 2.91Å; A104-A173 HydrophobicContact CB-CB 3.81Å; A104-R175 HydrophobicContact CB-CB 4.33Å; A104-R175 HydrophobicContact CB-CG 3.72Å; A104-I186 HydrophobicContact CB-CG2 4.49Å; A104-V188 HydrophobicContact CB-CB 4.43Å; A104-V188 HydrophobicContact CB-CG2 3.94Å
105E93.6Very high93.9Very high11 Ų1144.7 Ų44.75%0.05122%0.221CC..Hα-helixtrans-66.2-40.1173.3-68-59.9160.300111.6I101 L107 R108 Y109 R175I101-E105 PolarHBondContact O-N 3.29Å; E105-L107 VanDerWaalsContact C-N 3.3Å; E105-L107 PolarHBondContact O-N 2.95Å; E105-R108 WeakPolarHBondContact O-CB 3.34Å; E105-R108 PolarHBondContact O-N 2.75Å; E105-R108 IonicContact OE1-NH1 2.76Å; E105-R108 WeakPolarHBondContact OE2-CD 3.48Å; E105-R108 IonicContact OE2-CZ 3.57Å; E105-R108 IonicContact OE2-NE 3.82Å; E105-R108 IonicContact OE2-NH1 2.78Å; E105-R108 PolarHBondContact OE2-NH1 2.71Å; E105-Y109 PolarHBondContact O-N 3.15Å; E105-R175 WeakPolarHBondContact OE1-CD 3.48Å; E105-R175 IonicContact OE1-CZ 3.86Å; E105-R175 IonicContact OE1-NE 2.96Å; E105-R175 PolarHBondContact OE1-NE 2.84Å
106S94Very high94.2Very high43 Ų4345.3 Ų45.330%0.30123%0.232SC..Hα-helixtrans-60.8-39.5173.8-169.20000112.1A102 Q103 K110A102-S106 WeakPolarHBondContact O-CB 3.16Å; A102-S106 PolarHBondContact O-N 2.87Å; Q103-S106 PolarHBondContact O-N 2.81Å; S106-K110 WeakPolarHBondContact O-CG 3.36Å; S106-K110 PolarHBondContact O-N 2.87Å
107L95.9Very high94.4Very high0 Ų040 Ų400%022%0.215CC..Hα-helixtrans-65.8-45.2175.2-173.145.1000111.5Q103 A104 E105 Y109 K110 L111 A120 I124 V138 V140 I186Q103-L107 PolarHBondContact O-N 2.83Å; A104-L107 PolarHBondContact O-N 2.97Å; E105-L107 VanDerWaalsContact C-N 3.3Å; E105-L107 PolarHBondContact O-N 2.95Å; L107-Y109 VanDerWaalsContact C-N 3.34Å; L107-Y109 PolarHBondContact O-N 2.79Å; L107-K110 PolarHBondContact O-N 2.85Å; L107-L111 HydrophobicContact CD1-CD1 4.1Å; L107-L111 HydrophobicContact CD1-CD2 4.45Å; L107-L111 HydrophobicContact CD1-CG 3.99Å; L107-L111 HydrophobicContact CG-CD1 4.19Å; L107-L111 HydrophobicContact CG-CG 4.48Å; L107-L111 WeakPolarHBondContact O-CG 3.39Å; L107-L111 PolarHBondContact O-N 2.91Å; L107-A120 HydrophobicContact CD1-CB 3.71Å; L107-I124 HydrophobicContact CB-CD1 3.28Å; L107-I124 HydrophobicContact CD1-CD1 3.78Å; L107-I124 HydrophobicContact CD2-CD1 4.37Å; L107-I124 HydrophobicContact CG-CD1 3.95Å; L107-V138 HydrophobicContact CD2-CG1 3.48Å; L107-V138 VanDerWaalsContact CD2-CG1 3.48Å; L107-V140 HydrophobicContact CD2-CG2 4.2Å; L107-I186 HydrophobicContact CB-CD1 4.02Å; L107-I186 HydrophobicContact CB-CG2 4.45Å; L107-I186 HydrophobicContact CD2-CD1 4.31Å; L107-I186 HydrophobicContact CD2-CG1 4.25Å; L107-I186 HydrophobicContact CD2-CG2 3.64Å; L107-I186 HydrophobicContact CG-CD1 3.81Å; L107-I186 HydrophobicContact CG-CG1 4.23Å; L107-I186 HydrophobicContact CG-CG2 4.26Å
108R95.1Very high94.6Very high75 Ų7547.9 Ų47.928%0.28324%0.244SC..Hα-helixtrans-54.5-52175.3167.7-178.1150.3-155.6-2.1110.3A32 A104 E105 K110 L111 T112 V177 I186A32-R108 VanDerWaalsContact CB-NH1 3.32Å; A104-R108 PolarHBondContact O-N 2.91Å; E105-R108 WeakPolarHBondContact O-CB 3.34Å; E105-R108 PolarHBondContact O-N 2.75Å; E105-R108 IonicContact OE1-NH1 2.76Å; E105-R108 WeakPolarHBondContact OE2-CD 3.48Å; E105-R108 IonicContact OE2-CZ 3.57Å; E105-R108 IonicContact OE2-NE 3.82Å; E105-R108 IonicContact OE2-NH1 2.78Å; E105-R108 PolarHBondContact OE2-NH1 2.71Å; R108-K110 PolarHBondContact O-N 3.4Å; R108-L111 PolarHBondContact O-N 2.82Å; R108-T112 PolarHBondContact O-N 3.46Å; R108-T112 PolarHBondContact O-OG1 3.39Å; R108-V177 HydrophobicContact CB-CG2 3.96Å; R108-V177 HydrophobicContact CG-CG1 4.44Å; R108-V177 HydrophobicContact CG-CG2 3.99Å; R108-I186 HydrophobicContact CB-CD1 3.94Å
109Y93.6Very high94.7Very high97 Ų9754.2 Ų54.238%0.3827%0.271SS..Hα-helixtrans-57.6-48.9179.1-171.7-88.7000111.5E105 L107 L111 T112 Y113E105-Y109 PolarHBondContact O-N 3.15Å; L107-Y109 VanDerWaalsContact C-N 3.34Å; L107-Y109 PolarHBondContact O-N 2.79Å; Y109-L111 VanDerWaalsContact C-N 3.29Å; Y109-L111 PolarHBondContact O-N 3.21Å; Y109-T112 PolarHBondContact O-N 3.13Å; Y109-Y113 AromaticContact CD1-CD2 3.67Å; Y109-Y113 HydrophobicContact CD1-CD2 3.67Å; Y109-Y113 AromaticContact CD1-CE2 3.9Å; Y109-Y113 HydrophobicContact CD1-CE2 3.9Å; Y109-Y113 HydrophobicContact CD2-CD2 4.14Å; Y109-Y113 AromaticContact CD2-CE2 3.74Å; Y109-Y113 HydrophobicContact CD2-CE2 3.74Å; Y109-Y113 AromaticContact CE1-CD2 3.45Å; Y109-Y113 HydrophobicContact CE1-CD2 3.45Å; Y109-Y113 VanDerWaalsContact CE1-CD2 3.45Å; Y109-Y113 AromaticContact CE1-CE2 3.35Å; Y109-Y113 HydrophobicContact CE1-CE2 3.35Å; Y109-Y113 HydrophobicContact CE1-CG 4.17Å; Y109-Y113 AromaticContact CE1-CZ 3.96Å; Y109-Y113 AromaticContact CE2-CD2 3.98Å; Y109-Y113 HydrophobicContact CE2-CD2 3.98Å; Y109-Y113 AromaticContact CE2-CE2 3.2Å; Y109-Y113 HydrophobicContact CE2-CE2 3.2Å; Y109-Y113 AromaticContact CE2-CZ 3.91Å; Y109-Y113 HydrophobicContact CG-CD2 4.02Å; Y109-Y113 HydrophobicContact CG-CE2 4.08Å; Y109-Y113 AromaticContact CZ-CD2 3.63Å; Y109-Y113 AromaticContact CZ-CE2 2.98Å; Y109-Y113 AromaticContact CZ-CZ 3.41Å; Y109-Y113 VanDerWaalsContact CZ-CZ 3.41Å; Y109-Y113 VanDerWaalsContact O-CD2 3.28Å; Y109-Y113 WeakPolarHBondContact O-CD2 3.45Å; Y109-Y113 PolarHBondContact O-N 2.88Å; Y109-Y113 VanDerWaalsContact OH-CE2 3.3Å; Y109-Y113 WeakPolarHBondContact OH-CE2 2.9Å; Y109-Y113 PolarHBondContact OH-OH 2.99Å
110K94.9Very high94.9Very high63 Ų6353.9 Ų53.927%0.27427%0.269SS..Hα-helixtrans-58.9-38.4178.2-72.9175.5-172.2175.30113S106 L107 R108 L115 A120 I124S106-K110 WeakPolarHBondContact O-CG 3.36Å; S106-K110 PolarHBondContact O-N 2.87Å; L107-K110 PolarHBondContact O-N 2.85Å; R108-K110 PolarHBondContact O-N 3.4Å; K110-L115 HydrophobicContact CB-CB 4.4Å; K110-L115 HydrophobicContact CB-CD2 4.13Å; K110-L115 HydrophobicContact CD-CD2 4.23Å; K110-L115 HydrophobicContact CG-CD2 4.29Å; K110-L115 WeakPolarHBondContact O-CB 3.33Å; K110-L115 PolarHBondContact O-N 2.95Å; K110-L115 VanDerWaalsContact O-N 3.1Å; K110-A120 HydrophobicContact CB-CB 4.19Å; K110-I124 HydrophobicContact CD-CD1 4.24Å; K110-I124 HydrophobicContact CD-CG1 4.41Å
111L94.9Very high95Very high7 Ų753.9 Ų53.94%0.03727%0.269CS..Hα-helixtrans-72.4-40178.3-68.1180000112.2L107 R108 Y109 Y113 G114 V117 A120 V140 V177 I186L107-L111 HydrophobicContact CD1-CD1 4.1Å; L107-L111 HydrophobicContact CD1-CD2 4.45Å; L107-L111 HydrophobicContact CD1-CG 3.99Å; L107-L111 HydrophobicContact CG-CD1 4.19Å; L107-L111 HydrophobicContact CG-CG 4.48Å; L107-L111 WeakPolarHBondContact O-CG 3.39Å; L107-L111 PolarHBondContact O-N 2.91Å; R108-L111 PolarHBondContact O-N 2.82Å; Y109-L111 VanDerWaalsContact C-N 3.29Å; Y109-L111 PolarHBondContact O-N 3.21Å; L111-Y113 VanDerWaalsContact C-N 3.28Å; L111-Y113 PolarHBondContact O-N 2.86Å; L111-G114 PolarHBondContact O-N 3.37Å; L111-G114 VanDerWaalsContact O-N 3.14Å; L111-V117 HydrophobicContact CD2-CB 4.3Å; L111-V117 HydrophobicContact CD2-CG2 3.95Å; L111-A120 HydrophobicContact CD2-CB 3.96Å; L111-V140 HydrophobicContact CD1-CG1 4.46Å; L111-V177 HydrophobicContact CB-CG1 4.19Å; L111-V177 HydrophobicContact CD1-CG2 4.27Å; L111-I186 HydrophobicContact CD1-CD1 4.09Å; L111-I186 HydrophobicContact CD1-CG1 4.24Å
112T94Very high95.1Very high78 Ų7859.2 Ų59.248%0.47929%0.288SS..Hα-helixtrans-62-37174.8-55.20000111.7R108 Y109 G114R108-T112 PolarHBondContact O-N 3.46Å; R108-T112 PolarHBondContact O-OG1 3.39Å; Y109-T112 PolarHBondContact O-N 3.13Å; T112-G114 PolarHBondContact O-N 3.37Å
113Y93.9Very high95.2Very high165 Ų16560.6 Ų60.665%0.64730%0.304SS*.THydrogen-bonded Turntrans-75.76.6176.5-86.1-94.4000114.6Y109 L111Y109-Y113 AromaticContact CD1-CD2 3.67Å; Y109-Y113 HydrophobicContact CD1-CD2 3.67Å; Y109-Y113 AromaticContact CD1-CE2 3.9Å; Y109-Y113 HydrophobicContact CD1-CE2 3.9Å; Y109-Y113 HydrophobicContact CD2-CD2 4.14Å; Y109-Y113 AromaticContact CD2-CE2 3.74Å; Y109-Y113 HydrophobicContact CD2-CE2 3.74Å; Y109-Y113 AromaticContact CE1-CD2 3.45Å; Y109-Y113 HydrophobicContact CE1-CD2 3.45Å; Y109-Y113 VanDerWaalsContact CE1-CD2 3.45Å; Y109-Y113 AromaticContact CE1-CE2 3.35Å; Y109-Y113 HydrophobicContact CE1-CE2 3.35Å; Y109-Y113 HydrophobicContact CE1-CG 4.17Å; Y109-Y113 AromaticContact CE1-CZ 3.96Å; Y109-Y113 AromaticContact CE2-CD2 3.98Å; Y109-Y113 HydrophobicContact CE2-CD2 3.98Å; Y109-Y113 AromaticContact CE2-CE2 3.2Å; Y109-Y113 HydrophobicContact CE2-CE2 3.2Å; Y109-Y113 AromaticContact CE2-CZ 3.91Å; Y109-Y113 HydrophobicContact CG-CD2 4.02Å; Y109-Y113 HydrophobicContact CG-CE2 4.08Å; Y109-Y113 AromaticContact CZ-CD2 3.63Å; Y109-Y113 AromaticContact CZ-CE2 2.98Å; Y109-Y113 AromaticContact CZ-CZ 3.41Å; Y109-Y113 VanDerWaalsContact CZ-CZ 3.41Å; Y109-Y113 VanDerWaalsContact O-CD2 3.28Å; Y109-Y113 WeakPolarHBondContact O-CD2 3.45Å; Y109-Y113 PolarHBondContact O-N 2.88Å; Y109-Y113 VanDerWaalsContact OH-CE2 3.3Å; Y109-Y113 WeakPolarHBondContact OH-CE2 2.9Å; Y109-Y113 PolarHBondContact OH-OH 2.99Å; L111-Y113 VanDerWaalsContact C-N 3.28Å; L111-Y113 PolarHBondContact O-N 2.86Å
114G91.9Very high95.3Very high63 Ų6360.3 Ų60.365%0.64930%0.302SS*.THydrogen-bonded Turntrans82.813.2174.200000115.1L111 T112L111-G114 PolarHBondContact O-N 3.37Å; L111-G114 VanDerWaalsContact O-N 3.14Å; T112-G114 PolarHBondContact O-N 3.37Å
115L95.3Very high95.3Very high63 Ų6360.8 Ų60.833%0.3331%0.305SS..  trans-67.6134.1174.3-159.866000110.1K110 V117 K119 A120K110-L115 HydrophobicContact CB-CB 4.4Å; K110-L115 HydrophobicContact CB-CD2 4.13Å; K110-L115 HydrophobicContact CD-CD2 4.23Å; K110-L115 HydrophobicContact CG-CD2 4.29Å; K110-L115 WeakPolarHBondContact O-CB 3.33Å; K110-L115 PolarHBondContact O-N 2.95Å; K110-L115 VanDerWaalsContact O-N 3.1Å; L115-V117 PolarHBondContact O-N 3.04Å; L115-K119 HydrophobicContact CD1-CD 4.23Å; L115-A120 HydrophobicContact CB-CB 4.46Å; L115-A120 HydrophobicContact CD2-CB 3.97Å; L115-A120 HydrophobicContact CG-CB 4.39Å
116P95.2Very high95.5Very high83 Ų8368.1 Ų68.154%0.53933%0.332SS..  trans-57.3135.1179.1-27.335.3000112.5R118 K119 A120P116-R118 VanDerWaalsContact C-N 3.34Å; P116-R118 PolarHBondContact O-N 2.99Å; P116-K119 HydrophobicContact CB-CB 4.38Å; P116-K119 PolarHBondContact O-N 2.98Å; P116-A120 PolarHBondContact O-N 3.2Å
117V95.4Very high95.7Very high30 Ų3068.8 Ų68.818%0.18233%0.329CS..Hα-helixtrans-50.1-48.5-172.4-179.30000113L111 L115 K119 A120 C121 V140 M152L111-V117 HydrophobicContact CD2-CB 4.3Å; L111-V117 HydrophobicContact CD2-CG2 3.95Å; L115-V117 PolarHBondContact O-N 3.04Å; V117-K119 PolarHBondContact O-N 2.81Å; V117-A120 PolarHBondContact O-N 2.9Å; V117-C121 WeakPolarHBondContact O-CB 3.33Å; V117-C121 PolarHBondContact O-N 3.38Å; V117-C121 PolarHBondContact O-SG 3.27Å; V117-V140 HydrophobicContact CG1-CB 4.12Å; V117-V140 HydrophobicContact CG1-CG1 3.99Å; V117-V140 HydrophobicContact CG1-CG2 4.26Å; V117-M152 HydrophobicContact CG1-SD 4.41Å
118R95.9Very high95.7Very high168 Ų16868.8 Ų68.863%0.63433%0.329SS*.Hα-helixtrans-60.2-46.4178.9-72.1-172.8-179.5-167-2.3111.8P116 C121 Y122 M152 F154P116-R118 VanDerWaalsContact C-N 3.34Å; P116-R118 PolarHBondContact O-N 2.99Å; R118-C121 PolarHBondContact O-N 3.38Å; R118-Y122 HydrophobicContact CB-CD2 4.42Å; R118-Y122 HydrophobicContact CB-CE2 4.4Å; R118-Y122 WeakPolarHBondContact O-CD2 3.36Å; R118-Y122 PolarHBondContact O-N 3.44Å; R118-M152 HydrophobicContact CG-CE 3.64Å; R118-F154 HydrophobicContact CG-CE1 4.23Å; R118-F154 HydrophobicContact CG-CZ 4.07Å
119K96.8Very high95.8Very high145 Ų14567.6 Ų67.663%0.6333%0.328SS*.Hα-helixtrans-64.6-41.9-179.2-171.2175.5-178.4178.30111.2L115 P116 V117 G123L115-K119 HydrophobicContact CD1-CD 4.23Å; P116-K119 HydrophobicContact CB-CB 4.38Å; P116-K119 PolarHBondContact O-N 2.98Å; V117-K119 PolarHBondContact O-N 2.81Å; K119-G123 PolarHBondContact O-N 2.96Å
120A97Very high95.9Very high1 Ų168.8 Ų68.81%0.00834%0.337CS..Hα-helixtrans-62.9-45.3176.700000112.1L107 K110 L111 L115 P116 V117 G123 I124L107-A120 HydrophobicContact CD1-CB 3.71Å; K110-A120 HydrophobicContact CB-CB 4.19Å; L111-A120 HydrophobicContact CD2-CB 3.96Å; L115-A120 HydrophobicContact CB-CB 4.46Å; L115-A120 HydrophobicContact CD2-CB 3.97Å; L115-A120 HydrophobicContact CG-CB 4.39Å; P116-A120 PolarHBondContact O-N 3.2Å; V117-A120 PolarHBondContact O-N 2.9Å; A120-G123 PolarHBondContact O-N 3.1Å; A120-I124 PolarHBondContact O-N 3.06Å
121C97.2Very high95.9Very high0 Ų067.5 Ų67.50%034%0.336CS..Hα-helixtrans-66.9-48.5-179.5-63.70000112.1V117 R118 G123 I124 L125 V138 V140 F154V117-C121 WeakPolarHBondContact O-CB 3.33Å; V117-C121 PolarHBondContact O-N 3.38Å; V117-C121 PolarHBondContact O-SG 3.27Å; R118-C121 PolarHBondContact O-N 3.38Å; C121-G123 VanDerWaalsContact C-N 3.3Å; C121-G123 PolarHBondContact O-N 3.24Å; C121-I124 PolarHBondContact O-N 3.5Å; C121-L125 WeakPolarHBondContact O-CB 3.42Å; C121-L125 PolarHBondContact O-N 3.2Å; C121-V138 HydrophobicContact CB-CG1 4.38Å; C121-V140 WeakPolarHBondContact SG-CG2 3.38Å; C121-F154 HydrophobicContact CB-CD1 4.21Å; C121-F154 HydrophobicContact CB-CD2 3.48Å; C121-F154 VanDerWaalsContact CB-CD2 3.48Å; C121-F154 HydrophobicContact CB-CE1 4.23Å; C121-F154 HydrophobicContact CB-CE2 3.51Å; C121-F154 HydrophobicContact CB-CG 3.85Å; C121-F154 HydrophobicContact CB-CZ 3.89Å; C121-F154 WeakPolarHBondContact SG-CE2 3.37Å
122Y97.7Very high95.9Very high137 Ų13769.1 Ų69.154%0.53735%0.354SS..Hα-helixtrans-61.8-38.1177.2-76.3-58.7000112.5R118 I124 L125 R126 F154R118-Y122 HydrophobicContact CB-CD2 4.42Å; R118-Y122 HydrophobicContact CB-CE2 4.4Å; R118-Y122 WeakPolarHBondContact O-CD2 3.36Å; R118-Y122 PolarHBondContact O-N 3.44Å; Y122-I124 VanDerWaalsContact C-N 3.29Å; Y122-I124 PolarHBondContact O-N 3.3Å; Y122-L125 PolarHBondContact O-N 2.93Å; Y122-R126 VanDerWaalsContact O-CB 3.27Å; Y122-R126 WeakPolarHBondContact O-CB 3.36Å; Y122-R126 PolarHBondContact O-N 3.28Å; Y122-F154 HydrophobicContact CD1-CD1 4.48Å; Y122-F154 HydrophobicContact CD2-CE1 4.45Å; Y122-F154 HydrophobicContact CE1-CD1 4.03Å; Y122-F154 HydrophobicContact CE2-CD1 4.21Å; Y122-F154 AromaticContact CE2-CE1 3.95Å; Y122-F154 HydrophobicContact CE2-CE1 3.95Å; Y122-F154 AromaticContact CZ-CD1 3.88Å
123G96.6Very high96Very high37 Ų3765.8 Ų65.838%0.38134%0.335SS..Hα-helixtrans-63.7-33.6176.500000113.4K119 A120 C121 F127K119-G123 PolarHBondContact O-N 2.96Å; A120-G123 PolarHBondContact O-N 3.1Å; C121-G123 VanDerWaalsContact C-N 3.3Å; C121-G123 PolarHBondContact O-N 3.24Å; G123-F127 WeakPolarHBondContact O-CB 3.36Å; G123-F127 PolarHBondContact O-N 3.18Å
124I96.5Very high96.1Very high0 Ų062.4 Ų62.40%032%0.321CS..Hα-helixtrans-80.6-43.9177.1-71.2178.1000111.3Q103 L107 K110 A120 C121 Y122 R126 F127 I128Q103-I124 HydrophobicContact CB-CG2 4.12Å; L107-I124 HydrophobicContact CB-CD1 3.28Å; L107-I124 HydrophobicContact CD1-CD1 3.78Å; L107-I124 HydrophobicContact CD2-CD1 4.37Å; L107-I124 HydrophobicContact CG-CD1 3.95Å; K110-I124 HydrophobicContact CD-CD1 4.24Å; K110-I124 HydrophobicContact CD-CG1 4.41Å; A120-I124 PolarHBondContact O-N 3.06Å; C121-I124 PolarHBondContact O-N 3.5Å; Y122-I124 VanDerWaalsContact C-N 3.29Å; Y122-I124 PolarHBondContact O-N 3.3Å; I124-R126 VanDerWaalsContact C-N 3.31Å; I124-R126 PolarHBondContact O-N 2.98Å; I124-F127 PolarHBondContact O-N 3.37Å; I124-F127 VanDerWaalsContact O-N 3.14Å; I124-I128 HydrophobicContact CG2-CD1 3.67Å; I124-I128 HydrophobicContact CG2-CG1 4.29Å; I124-I128 VanDerWaalsContact O-CG1 3.29Å; I124-I128 WeakPolarHBondContact O-CG1 3.41Å; I124-I128 PolarHBondContact O-N 2.99Å
125L96.9Very high96.4Very high10 Ų1059.4 Ų59.45%0.05229%0.29CS..Hα-helixtrans-58.5-45.5178-178.3158000110.8C121 Y122 F127 I128 M129 F154 D156C121-L125 WeakPolarHBondContact O-CB 3.42Å; C121-L125 PolarHBondContact O-N 3.2Å; Y122-L125 PolarHBondContact O-N 2.93Å; L125-F127 PolarHBondContact O-N 3.17Å; L125-I128 PolarHBondContact O-N 3.12Å; L125-M129 HydrophobicContact CD2-CG 4.34Å; L125-M129 WeakPolarHBondContact O-CG 3.35Å; L125-M129 PolarHBondContact O-N 2.87Å; L125-F154 HydrophobicContact CD1-CB 3.83Å; L125-D156 HydrophobicContact CD1-CB 4.03Å; L125-D156 HydrophobicContact CD2-CB 3.36Å; L125-D156 WeakPolarHBondContact CD2-OD2 3.28Å; L125-D156 HydrophobicContact CG-CB 3.93Å
126R97.2Very high96.5Very high166 Ų16656.5 Ų56.563%0.62627%0.274SS*.Hα-helixtrans-60.4-44.9174-178172.6176.9157.13.7112.3Y122 I124 I128 M129 E130Y122-R126 VanDerWaalsContact O-CB 3.27Å; Y122-R126 WeakPolarHBondContact O-CB 3.36Å; Y122-R126 PolarHBondContact O-N 3.28Å; I124-R126 VanDerWaalsContact C-N 3.31Å; I124-R126 PolarHBondContact O-N 2.98Å; R126-I128 VanDerWaalsContact C-N 3.31Å; R126-I128 PolarHBondContact O-N 2.94Å; R126-M129 PolarHBondContact O-N 3.5Å; R126-E130 HydrophobicContact CG-CG 4.29Å; R126-E130 WeakPolarHBondContact CG-OE1 3.44Å; R126-E130 IonicContact CZ-OE1 3.55Å; R126-E130 IonicContact NE-OE1 2.7Å; R126-E130 PolarHBondContact NE-OE1 3.39Å; R126-E130 IonicContact NH2-OE1 3.45Å; R126-E130 PolarHBondContact NH2-OE1 3.03Å; R126-E130 WeakPolarHBondContact O-CB 3.41Å; R126-E130 WeakPolarHBondContact O-CG 3.25Å; R126-E130 PolarHBondContact O-N 2.83Å
127F97.1Very high96.6Very high56 Ų5652.8 Ų52.825%0.24625%0.25CC..Hα-helixtrans-62.9-36.2178.8-178.4-110.8000112.9R96 G123 I124 L125 S131R96-F127 HydrophobicContact CG-CE1 4.17Å; R96-F127 HydrophobicContact CG-CZ 4.02Å; G123-F127 WeakPolarHBondContact O-CB 3.36Å; G123-F127 PolarHBondContact O-N 3.18Å; I124-F127 PolarHBondContact O-N 3.37Å; I124-F127 VanDerWaalsContact O-N 3.14Å; L125-F127 PolarHBondContact O-N 3.17Å; F127-S131 WeakPolarHBondContact O-CB 3.39Å; F127-S131 PolarHBondContact O-N 3.36Å; F127-S131 VanDerWaalsContact O-N 3.09Å; F127-S131 PolarHBondContact O-OG 3.38Å
128I97.2Very high96.7Very high0 Ų051.3 Ų51.30%024%0.241CC..Hα-helixtrans-66.8-46.7175.8-67.4163.5000110.7Q103 I124 L125 R126 S131 A133 A136 V188 I190Q103-I128 HydrophobicContact CB-CD1 4.24Å; Q103-I128 HydrophobicContact CG-CD1 4.05Å; Q103-I128 HydrophobicContact CG-CG1 3.85Å; I124-I128 HydrophobicContact CG2-CD1 3.67Å; I124-I128 HydrophobicContact CG2-CG1 4.29Å; I124-I128 VanDerWaalsContact O-CG1 3.29Å; I124-I128 WeakPolarHBondContact O-CG1 3.41Å; I124-I128 PolarHBondContact O-N 2.99Å; L125-I128 PolarHBondContact O-N 3.12Å; R126-I128 VanDerWaalsContact C-N 3.31Å; R126-I128 PolarHBondContact O-N 2.94Å; I128-S131 WeakPolarHBondContact O-CB 3.1Å; I128-S131 PolarHBondContact O-N 3.21Å; I128-A133 HydrophobicContact CG2-CB 3.51Å; I128-A133 WeakPolarHBondContact O-CB 3.43Å; I128-A133 PolarHBondContact O-N 2.93Å; I128-A136 HydrophobicContact CB-CB 4.21Å; I128-A136 HydrophobicContact CD1-CB 4.25Å; I128-A136 HydrophobicContact CG2-CB 3.68Å; I128-V188 HydrophobicContact CD1-CG1 4.28Å; I128-I190 HydrophobicContact CD1-CD1 3.82Å; I128-I190 HydrophobicContact CD1-CG1 4.08Å; I128-I190 HydrophobicContact CG1-CD1 3.96Å; I128-I190 HydrophobicContact CG2-CD1 4.02Å; I128-I190 HydrophobicContact CG2-CG1 4.09Å; I128-I190 HydrophobicContact CG2-CG2 3.76Å
129M96.7Very high96.8Very high50 Ų5044.8 Ų44.825%0.24622%0.219CC..Hα-helixtrans-64.7-43.8178.7-64.3-59.1-70.600111.7L125 R126 S131 G132 A136 D156L125-M129 HydrophobicContact CD2-CG 4.34Å; L125-M129 WeakPolarHBondContact O-CG 3.35Å; L125-M129 PolarHBondContact O-N 2.87Å; R126-M129 PolarHBondContact O-N 3.5Å; M129-S131 PolarHBondContact O-N 2.82Å; M129-G132 PolarHBondContact O-N 3.13Å; M129-A136 HydrophobicContact SD-CB 4.48Å; M129-D156 HydrophobicContact CG-CB 4.21Å; M129-D156 HydrophobicContact SD-CB 4.32Å
130E96.5Very high96.8Very high123 Ų12337.9 Ų37.958%0.57519%0.188SC*.Hα-helixtrans-62.8-25.7174.6-74174178.700112.8R126 G132R126-E130 HydrophobicContact CG-CG 4.29Å; R126-E130 WeakPolarHBondContact CG-OE1 3.44Å; R126-E130 IonicContact CZ-OE1 3.55Å; R126-E130 IonicContact NE-OE1 2.7Å; R126-E130 PolarHBondContact NE-OE1 3.39Å; R126-E130 IonicContact NH2-OE1 3.45Å; R126-E130 PolarHBondContact NH2-OE1 3.03Å; R126-E130 WeakPolarHBondContact O-CB 3.41Å; R126-E130 WeakPolarHBondContact O-CG 3.25Å; R126-E130 PolarHBondContact O-N 2.83Å; E130-G132 PolarHBondContact O-N 3.25Å
131S95Very high96.8Very high36 Ų3640.3 Ų40.325%0.25221%0.205SC..THydrogen-bonded Turntrans-77.2-2.7175.3-61.20000113.5G97 F127 I128 M129G97-S131 WeakPolarHBondContact CA-OG 3.28Å; F127-S131 WeakPolarHBondContact O-CB 3.39Å; F127-S131 PolarHBondContact O-N 3.36Å; F127-S131 VanDerWaalsContact O-N 3.09Å; F127-S131 PolarHBondContact O-OG 3.38Å; I128-S131 WeakPolarHBondContact O-CB 3.1Å; I128-S131 PolarHBondContact O-N 3.21Å; M129-S131 PolarHBondContact O-N 2.82Å
132G93.9Very high96.8Very high41 Ų4141.1 Ų41.142%0.42321%0.213SC..THydrogen-bonded Turntrans89.926.9177.500000114.5M129 E130M129-G132 PolarHBondContact O-N 3.13Å; E130-G132 PolarHBondContact O-N 3.25Å
133A96.2Very high96.6Very high8 Ų838.9 Ų38.97%0.06621%0.206CC..  trans-73.3146.7167.400000110.4L98 I128 G135 I190L98-A133 HydrophobicContact CD2-CB 3.93Å; I128-A133 HydrophobicContact CG2-CB 3.51Å; I128-A133 WeakPolarHBondContact O-CB 3.43Å; I128-A133 PolarHBondContact O-N 2.93Å; A133-G135 VanDerWaalsContact C-N 3.3Å; A133-I190 HydrophobicContact CB-CG2 3.76Å
134R95.8Very high96.3Very high94 Ų9437.9 Ų37.936%0.35519%0.192SC..SBendtrans-75.6-23.8176.2-163.3170.1174.9-178.7-3.7112.3L158 M191R134-L158 HydrophobicContact CG-CB 4.26Å; R134-L158 HydrophobicContact CG-CD2 4.47Å; R134-L158 PolarHBondContact O-N 2.77Å; R134-M191 HydrophobicContact CB-CG 4.33Å; R134-M191 PolarHBondContact N-O 3.43Å
135G97.4Very high95.9Very high0 Ų046.9 Ų46.90%023%0.232CC..EExtended strand (participates in β ladder)trans-174.8165.9169.300000112.8A133 D156 L158 M191A133-G135 VanDerWaalsContact C-N 3.3Å; G135-D156 CarbonylContact C-O 3.55Å; G135-D156 WeakPolarHBondContact CA-O 2.94Å; G135-L158 VanDerWaalsContact CA-O 3.3Å; G135-L158 WeakPolarHBondContact CA-O 3.45Å; G135-M191 PolarHBondContact O-N 3.05Å
136A97.6Very high95.6Very high1 Ų148.2 Ų48.21%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-145.2143.8-17800000111.5I128 M129 C155 D156 K189I128-A136 HydrophobicContact CB-CB 4.21Å; I128-A136 HydrophobicContact CD1-CB 4.25Å; I128-A136 HydrophobicContact CG2-CB 3.68Å; M129-A136 HydrophobicContact SD-CB 4.48Å; A136-C155 WeakPolarHBondContact O-CA 2.9Å; A136-D156 PolarHBondContact N-O 2.85Å; A136-D156 PolarHBondContact O-N 3.39Å; A136-K189 CarbonylContact C-O 3.46Å; A136-K189 WeakPolarHBondContact CA-O 3.37Å
137E97.9Very high95.4Very high5 Ų547.3 Ų47.32%0.02325%0.251CS..EExtended strand (participates in β ladder)trans-128.6121.1172.6174.8-179.8-166.300109I139 K153 F154 M159 H161 V188 K189E137-I139 HydrophobicContact CG-CD1 4.31Å; E137-I139 HydrophobicContact CG-CG1 3.94Å; E137-I139 WeakPolarHBondContact OE1-CD1 3.39Å; E137-K153 HydrophobicContact CG-CG 4.46Å; E137-K153 WeakPolarHBondContact OE1-CD 3.43Å; E137-K153 WeakPolarHBondContact OE1-CE 2.97Å; E137-K153 IonicContact OE1-NZ 3.8Å; E137-K153 PolarHBondContact OE1-NZ 2.83Å; E137-F154 CarbonylContact C-O 3.56Å; E137-F154 WeakPolarHBondContact CA-O 3.41Å; E137-M159 HydrophobicContact CB-CE 4.13Å; E137-H161 IonicContact OE2-NE2 3.5Å; E137-V188 CarbonylContact O-C 3.57Å; E137-V188 WeakPolarHBondContact O-CA 3.32Å; E137-K189 HydrophobicContact CB-CB 4.26Å; E137-K189 PolarHBondContact N-O 3.45Å; E137-K189 PolarHBondContact O-N 2.76Å; E137-K189 WeakPolarHBondContact OE2-CD 3.28Å; E137-K189 WeakPolarHBondContact OE2-CE 3.12Å; E137-K189 IonicContact OE2-NZ 2.61Å; E137-K189 PolarHBondContact OE2-NZ 3.12Å
138V98.1Very high95.3Very high0 Ų054.9 Ų54.90%028%0.278CS..EExtended strand (participates in β ladder)trans-116.8119.9175-179.10000108.3L107 C121 F154 K187 V188L107-V138 HydrophobicContact CD2-CG1 3.48Å; L107-V138 VanDerWaalsContact CD2-CG1 3.48Å; C121-V138 HydrophobicContact CB-CG1 4.38Å; V138-F154 HydrophobicContact CB-CB 4.45Å; V138-F154 PolarHBondContact N-O 2.76Å; V138-F154 PolarHBondContact O-N 2.79Å; V138-K187 CarbonylContact C-O 3.52Å; V138-K187 WeakPolarHBondContact CA-O 3.38Å; V138-V188 HydrophobicContact CG1-CG2 4.48Å; V138-V188 HydrophobicContact CG2-CG1 4.45Å; V138-V188 HydrophobicContact CG2-CG2 4.43Å
139I97.7Very high95.2Very high31 Ų3158.1 Ų58.116%0.15930%0.304CS..EExtended strand (participates in β ladder)trans-115.5126.3177.1-46.1178.4000108.2E137 M152 K153 I186 K187E137-I139 HydrophobicContact CG-CD1 4.31Å; E137-I139 HydrophobicContact CG-CG1 3.94Å; E137-I139 WeakPolarHBondContact OE1-CD1 3.39Å; I139-M152 CarbonylContact C-O 3.58Å; I139-M152 WeakPolarHBondContact CA-O 3.33Å; I139-K153 HydrophobicContact CG1-CB 4.44Å; I139-K153 HydrophobicContact CG1-CG 4.29Å; I139-I186 CarbonylContact O-C 3.6Å; I139-I186 WeakPolarHBondContact O-CA 3.32Å; I139-K187 HydrophobicContact CB-CB 4.24Å; I139-K187 HydrophobicContact CD1-CD 4.3Å; I139-K187 PolarHBondContact N-O 2.71Å; I139-K187 PolarHBondContact O-N 3.38Å
140V97.4Very high95.2Very high0 Ų061 Ų610%032%0.315CS..EExtended strand (participates in β ladder)trans-115123169.9-176.90000108L107 L111 V117 C121 I144 A151 M152 L184 G185L107-V140 HydrophobicContact CD2-CG2 4.2Å; L111-V140 HydrophobicContact CD1-CG1 4.46Å; V117-V140 HydrophobicContact CG1-CB 4.12Å; V117-V140 HydrophobicContact CG1-CG1 3.99Å; V117-V140 HydrophobicContact CG1-CG2 4.26Å; C121-V140 WeakPolarHBondContact SG-CG2 3.38Å; V140-I144 HydrophobicContact CB-CD1 4.5Å; V140-I144 HydrophobicContact CG1-CD1 4.11Å; V140-A151 WeakPolarHBondContact O-CA 3.3Å; V140-M152 PolarHBondContact N-O 2.81Å; V140-M152 PolarHBondContact O-N 3.13Å; V140-L184 HydrophobicContact CG1-CD1 4.27Å; V140-G185 CarbonylContact C-O 3.54Å; V140-G185 WeakPolarHBondContact CA-O 3.48Å
141S96.9Very high95.2Very high51 Ų5158.9 Ų58.936%0.35732%0.319SS..EExtended strand (participates in β ladder)trans-127.2144.4-174.458.30000110.9K150 L184 G185S141-K150 WeakPolarHBondContact CA-O 3.44Å; S141-L184 CarbonylContact O-C 3.59Å; S141-L184 WeakPolarHBondContact O-CA 3.43Å; S141-G185 PolarHBondContact N-O 3.25Å; S141-G185 PolarHBondContact O-N 3.09Å; S141-G185 PolarHBondContact OG-O 2.89Å; S141-G185 VanDerWaalsContact OG-O 3.09Å
142G96.1Very high95.3Very high17 Ų1759 Ų5918%0.17532%0.316CS..EExtended strand (participates in β ladder)trans134.7-158.4177.900000112I144 A149 K150G142-I144 PolarHBondContact O-N 3.03Å; G142-A149 CarbonylContact O-C 3.58Å; G142-A149 VanDerWaalsContact O-CA 3.31Å; G142-A149 WeakPolarHBondContact O-CA 3.5Å; G142-K150 PolarHBondContact N-O 2.83Å; G142-K150 PolarHBondContact O-N 3Å; G142-K150 VanDerWaalsContact O-O 3.06Å
143K94.8Very high95.4Very high90 Ų9062.8 Ų62.839%0.39132%0.321SS..  trans-77.188.2-179-66.9-175.8180-179.20110.8Q181K143-Q181 HydrophobicContact CB-CG 4.37Å; K143-Q181 HydrophobicContact CD-CG 4.26Å; K143-Q181 PolarHBondContact O-OE1 2.95Å
144I90.3Very high95.5Very high16 Ų1663 Ų638%0.08232%0.32CS..  trans-102.7110.1178.6-54.7170.1000108.8V140 G142 M152 L184V140-I144 HydrophobicContact CB-CD1 4.5Å; V140-I144 HydrophobicContact CG1-CD1 4.11Å; G142-I144 PolarHBondContact O-N 3.03Å; I144-M152 HydrophobicContact CD1-CB 4.41Å; I144-M152 HydrophobicContact CD1-CG 3.83Å; I144-M152 HydrophobicContact CD1-SD 4.04Å; I144-M152 HydrophobicContact CG2-SD 3.98Å; I144-L184 HydrophobicContact CG1-CD2 4.05Å
145K86.3Confident95.5Very high190 Ų19062.1 Ų62.183%0.82633%0.327SS*.SBendtrans47.678.4-179.5-69.9-168.8173.8-168.40112.4K150K145-K150 PolarHBondContact O-NZ 2.83Å
146G90.7Very high95.5Very high38 Ų3865.8 Ų65.839%0.39235%0.347SS..SBendtrans129.1173.6176.900000112.9Q181G146-Q181 PolarHBondContact O-NE2 3.39Å
147Q93.2Very high95.5Very high147 Ų14768.2 Ų68.269%0.68737%0.372SS*.SBendtrans-77-27.4-176.8-65.4-58.1-2300113.7
148R95Very high95.4Very high215 Ų21571.7 Ų71.781%0.81139%0.39SS*.SBendtrans-80.9134.7178.5-169.6173.5-177.1116.2-1.1110.8
149A95.8Very high95.3Very high67 Ų6773.2 Ų73.255%0.55440%0.398SS*.  trans-64.9142.9174.700000111.7G142G142-A149 CarbonylContact O-C 3.58Å; G142-A149 VanDerWaalsContact O-CA 3.31Å; G142-A149 WeakPolarHBondContact O-CA 3.5Å
150K96.3Very high95.2Very high112 Ų11273.5 Ų73.549%0.48740%0.399SS..EExtended strand (participates in β ladder)trans-134.2153.7175.9-65.1177.7-175.1163.70109S141 G142 K145S141-K150 WeakPolarHBondContact CA-O 3.44Å; G142-K150 PolarHBondContact N-O 2.83Å; G142-K150 PolarHBondContact O-N 3Å; G142-K150 VanDerWaalsContact O-O 3.06Å; K145-K150 PolarHBondContact O-NZ 2.83Å
151A96.4Very high95.2Very high78 Ų7879 Ų7965%0.64543%0.425SS*.EExtended strand (participates in β ladder)trans-118.8124.4170.500000108.9V140V140-A151 WeakPolarHBondContact O-CA 3.3Å
152M96.6Very high95.1Very high39 Ų3981.5 Ų81.519%0.19244%0.442CS..EExtended strand (participates in β ladder)trans-107.4119.2174.2-63.2-173.67400108.2V117 R118 I139 V140 I144 F154V117-M152 HydrophobicContact CG1-SD 4.41Å; R118-M152 HydrophobicContact CG-CE 3.64Å; I139-M152 CarbonylContact C-O 3.58Å; I139-M152 WeakPolarHBondContact CA-O 3.33Å; V140-M152 PolarHBondContact N-O 2.81Å; V140-M152 PolarHBondContact O-N 3.13Å; I144-M152 HydrophobicContact CD1-CB 4.41Å; I144-M152 HydrophobicContact CD1-CG 3.83Å; I144-M152 HydrophobicContact CD1-SD 4.04Å; I144-M152 HydrophobicContact CG2-SD 3.98Å; M152-F154 HydrophobicContact CB-CE2 3.7Å; M152-F154 HydrophobicContact CB-CZ 4.07Å; M152-F154 HydrophobicContact CE-CE1 4.42Å; M152-F154 HydrophobicContact CE-CE2 4.48Å; M152-F154 HydrophobicContact CE-CZ 3.71Å; M152-F154 HydrophobicContact SD-CZ 4.47Å
153K97.3Very high95.1Very high120 Ų12083.4 Ų83.452%0.52246%0.462SS..EExtended strand (participates in β ladder)trans-107.6126.3178173.2169.2169157.70108.7E137 I139 C155E137-K153 HydrophobicContact CG-CG 4.46Å; E137-K153 WeakPolarHBondContact OE1-CD 3.43Å; E137-K153 WeakPolarHBondContact OE1-CE 2.97Å; E137-K153 IonicContact OE1-NZ 3.8Å; E137-K153 PolarHBondContact OE1-NZ 2.83Å; I139-K153 HydrophobicContact CG1-CB 4.44Å; I139-K153 HydrophobicContact CG1-CG 4.29Å; K153-C155 WeakPolarHBondContact CE-SG 3.37Å; K153-C155 VanDerWaalsContact CG-SG 3.5Å
154F97.5Very high95.1Very high13 Ų1384.1 Ų84.16%0.05747%0.47CS..EExtended strand (participates in β ladder)trans-117.6122.4176.1-56-91.1000107.3R118 C121 Y122 L125 E137 V138 M152R118-F154 HydrophobicContact CG-CE1 4.23Å; R118-F154 HydrophobicContact CG-CZ 4.07Å; C121-F154 HydrophobicContact CB-CD1 4.21Å; C121-F154 HydrophobicContact CB-CD2 3.48Å; C121-F154 VanDerWaalsContact CB-CD2 3.48Å; C121-F154 HydrophobicContact CB-CE1 4.23Å; C121-F154 HydrophobicContact CB-CE2 3.51Å; C121-F154 HydrophobicContact CB-CG 3.85Å; C121-F154 HydrophobicContact CB-CZ 3.89Å; C121-F154 WeakPolarHBondContact SG-CE2 3.37Å; Y122-F154 HydrophobicContact CD1-CD1 4.48Å; Y122-F154 HydrophobicContact CD2-CE1 4.45Å; Y122-F154 HydrophobicContact CE1-CD1 4.03Å; Y122-F154 HydrophobicContact CE2-CD1 4.21Å; Y122-F154 AromaticContact CE2-CE1 3.95Å; Y122-F154 HydrophobicContact CE2-CE1 3.95Å; Y122-F154 AromaticContact CZ-CD1 3.88Å; L125-F154 HydrophobicContact CD1-CB 3.83Å; E137-F154 CarbonylContact C-O 3.56Å; E137-F154 WeakPolarHBondContact CA-O 3.41Å; V138-F154 HydrophobicContact CB-CB 4.45Å; V138-F154 PolarHBondContact N-O 2.76Å; V138-F154 PolarHBondContact O-N 2.79Å; M152-F154 HydrophobicContact CB-CE2 3.7Å; M152-F154 HydrophobicContact CB-CZ 4.07Å; M152-F154 HydrophobicContact CE-CE1 4.42Å; M152-F154 HydrophobicContact CE-CE2 4.48Å; M152-F154 HydrophobicContact CE-CZ 3.71Å; M152-F154 HydrophobicContact SD-CZ 4.47Å
155C97Very high95.4Very high75 Ų7584.7 Ų84.751%0.50748%0.475SS..EExtended strand (participates in β ladder)trans-131145.7-177.5-60.20000110.4A136 K153A136-C155 WeakPolarHBondContact O-CA 2.9Å; K153-C155 WeakPolarHBondContact CE-SG 3.37Å; K153-C155 VanDerWaalsContact CG-SG 3.5Å
156D97.6Very high95.8Very high76 Ų7677.2 Ų77.241%0.40645%0.445SS..EExtended strand (participates in β ladder)trans-151.7147.9172.4-1642.4000109.8L125 M129 G135 A136L125-D156 HydrophobicContact CD1-CB 4.03Å; L125-D156 HydrophobicContact CD2-CB 3.36Å; L125-D156 WeakPolarHBondContact CD2-OD2 3.28Å; L125-D156 HydrophobicContact CG-CB 3.93Å; M129-D156 HydrophobicContact CG-CB 4.21Å; M129-D156 HydrophobicContact SD-CB 4.32Å; G135-D156 CarbonylContact C-O 3.55Å; G135-D156 WeakPolarHBondContact CA-O 2.94Å; A136-D156 PolarHBondContact N-O 2.85Å; A136-D156 PolarHBondContact O-N 3.39Å
157G96.7Very high96Very high52 Ų5280.6 Ų80.654%0.53645%0.454SS..EExtended strand (participates in β ladder)trans66.8-157.9-176.100000115.5
158L95.8Very high96Very high78 Ų7877.8 Ų77.841%0.40844%0.444SS..  trans-87.9138.5-178.2-177.867.1000111.3R134 G135 M191R134-L158 HydrophobicContact CG-CB 4.26Å; R134-L158 HydrophobicContact CG-CD2 4.47Å; R134-L158 PolarHBondContact O-N 2.77Å; G135-L158 VanDerWaalsContact CA-O 3.3Å; G135-L158 WeakPolarHBondContact CA-O 3.45Å; L158-M191 HydrophobicContact CB-SD 4.12Å; L158-M191 HydrophobicContact CD2-CE 3.8Å; L158-M191 HydrophobicContact CD2-SD 4.03Å; L158-M191 HydrophobicContact CG-CE 4.24Å; L158-M191 HydrophobicContact CG-SD 3.82Å
159M96.7Very high96.1Very high32 Ų3267.9 Ų67.916%0.15841%0.406CS..  trans-141.3112.3174.9-173.362.258.800111.4E137 H161 I170 K189 M191E137-M159 HydrophobicContact CB-CE 4.13Å; M159-H161 PolarHBondContact O-CE1 2.83Å; M159-H161 PolarHBondContact O-ND1 3.01Å; M159-I170 HydrophobicContact SD-CD1 3.58Å; M159-I170 VanDerWaalsContact SD-CD1 3.58Å; M159-I170 HydrophobicContact SD-CG1 4.14Å; M159-K189 HydrophobicContact CE-CB 4.06Å; M159-K189 HydrophobicContact SD-CB 4.16Å; M159-K189 HydrophobicContact SD-CD 4.33Å; M159-M191 HydrophobicContact CE-CB 4.05Å; M159-M191 HydrophobicContact SD-CB 4.27Å
160I95.8Very high96.1Very high37 Ų3765.6 Ų65.619%0.1938%0.384CS..  trans-78.8150.6173.461172.9000111P165 V166 I170 M191 L206I160-P165 HydrophobicContact CD1-CB 3.78Å; I160-V166 HydrophobicContact CD1-CG2 4.17Å; I160-V166 HydrophobicContact CG1-CG2 4.1Å; I160-I170 HydrophobicContact CD1-CD1 4.44Å; I160-I170 HydrophobicContact CG1-CD1 3.5Å; I160-I170 VanDerWaalsContact CG1-CD1 3.5Å; I160-I170 HydrophobicContact CG1-CG1 4.04Å; I160-I170 WeakPolarHBondContact O-CD1 3.2Å; I160-M191 HydrophobicContact CD1-CE 4.36Å; I160-M191 HydrophobicContact CG1-CE 4.27Å; I160-M191 HydrophobicContact CG1-SD 4.36Å; I160-M191 HydrophobicContact CG2-CE 3.9Å; I160-M191 HydrophobicContact CG2-SD 4.3Å; I160-L206 HydrophobicContact CD1-CD2 4.33Å
161H96.2Very high96Very high116 Ų11662.6 Ų62.654%0.53737%0.374SS..  trans-128.1-18-176.6-69.977.8000113.8E137 M159E137-H161 IonicContact OE2-NE2 3.5Å; M159-H161 PolarHBondContact O-CE1 2.83Å; M159-H161 PolarHBondContact O-ND1 3.01Å
162S96Very high96.1Very high104 Ų10465.8 Ų65.873%0.72737%0.373SS*.SBendtrans-127.5155.3-172.252.70000112.6V166S162-V166 WeakPolarHBondContact O-CG2 3.41Å
163G95.9Very high96Very high56 Ų5664.1 Ų64.158%0.57737%0.366SS*.SBendtrans86.2171176.800000114.4P165 V166G163-P165 VanDerWaalsContact C-N 3.34Å; G163-V166 WeakPolarHBondContact O-CB 3.39Å; G163-V166 PolarHBondContact O-N 2.94Å
164D94.9Very high96Very high105 Ų10562 Ų6256%0.56136%0.363SS*.THydrogen-bonded Turntrans-61-30.2176.1-170.252.7000114.8V166 N167D164-V166 PolarHBondContact O-N 3.41Å; D164-N167 WeakPolarHBondContact O-CB 3.38Å; D164-N167 PolarHBondContact O-N 2.85Å; D164-N167 PolarHBondContact OD1-ND2 3.28Å
165P95.7Very high95.9Very high29 Ų2963.2 Ų63.219%0.18837%0.367CS..Hα-helixtrans-55-29177.1-28.736.7000113.6I160 G163 N167 N168 Y169 L206 P207I160-P165 HydrophobicContact CD1-CB 3.78Å; G163-P165 VanDerWaalsContact C-N 3.34Å; P165-N167 PolarHBondContact O-N 2.82Å; P165-N168 PolarHBondContact O-N 3.02Å; P165-N168 VanDerWaalsContact O-N 3.13Å; P165-Y169 HydrophobicContact CB-CD2 4.18Å; P165-Y169 VanDerWaalsContact O-CB 3.3Å; P165-Y169 WeakPolarHBondContact O-CB 3.35Å; P165-Y169 PolarHBondContact O-N 3.18Å; P165-L206 HydrophobicContact CB-CD2 3.98Å; P165-P207 HydrophobicContact CG-CG 3.78Å
166V95.8Very high95.8Very high32 Ų3265.8 Ų65.819%0.19437%0.371CS..Hα-helixtrans-55.8-37.9175.2173.90000112I160 S162 G163 D164 N168 I170I160-V166 HydrophobicContact CD1-CG2 4.17Å; I160-V166 HydrophobicContact CG1-CG2 4.1Å; S162-V166 WeakPolarHBondContact O-CG2 3.41Å; G163-V166 WeakPolarHBondContact O-CB 3.39Å; G163-V166 PolarHBondContact O-N 2.94Å; D164-V166 PolarHBondContact O-N 3.41Å; V166-N168 VanDerWaalsContact C-N 3.28Å; V166-N168 PolarHBondContact O-N 3.46Å; V166-I170 HydrophobicContact CG1-CB 4.41Å; V166-I170 HydrophobicContact CG1-CD1 4.13Å; V166-I170 HydrophobicContact CG2-CD1 4.39Å; V166-I170 WeakPolarHBondContact O-CB 3.37Å; V166-I170 PolarHBondContact O-N 3.06Å; V166-I170 VanDerWaalsContact O-N 3.13Å
167N94.5Very high95.7Very high109 Ų10962.2 Ų62.258%0.58335%0.352SS*.Hα-helixtrans-68-29.5-177.8-64.7-34000112.7D164 P165D164-N167 WeakPolarHBondContact O-CB 3.38Å; D164-N167 PolarHBondContact O-N 2.85Å; D164-N167 PolarHBondContact OD1-ND2 3.28Å; P165-N167 PolarHBondContact O-N 2.82Å
168N93.1Very high95.6Very high89 Ų8967.7 Ų67.748%0.47636%0.364SS..Hα-helixtrans-102.1-34.8-174.5-60.2-41000112.7P165 V166 P202P165-N168 PolarHBondContact O-N 3.02Å; P165-N168 VanDerWaalsContact O-N 3.13Å; V166-N168 VanDerWaalsContact C-N 3.28Å; V166-N168 PolarHBondContact O-N 3.46Å; N168-P202 HydrophobicContact CB-CB 4.41Å
169Y95.8Very high95.5Very high7 Ų766.6 Ų66.63%0.02736%0.358CS..Hα-helixtrans-90.2-27.5-176.8-85.6-94.2000113.5P165 M191 L192 H194 P202 K204 P205 L206P165-Y169 HydrophobicContact CB-CD2 4.18Å; P165-Y169 VanDerWaalsContact O-CB 3.3Å; P165-Y169 WeakPolarHBondContact O-CB 3.35Å; P165-Y169 PolarHBondContact O-N 3.18Å; Y169-M191 HydrophobicContact CD1-CE 4.41Å; Y169-L192 WeakPolarHBondContact CD1-O 3.41Å; Y169-L192 WeakPolarHBondContact O-CB 3.33Å; Y169-L192 WeakPolarHBondContact O-CG 3.29Å; Y169-L192 PolarHBondContact O-N 3.49Å; Y169-H194 HydrophobicContact CE1-CB 4.37Å; Y169-P202 HydrophobicContact CD1-CG 3.65Å; Y169-P202 HydrophobicContact CD2-CB 4.49Å; Y169-P202 HydrophobicContact CD2-CG 3.72Å; Y169-P202 HydrophobicContact CE1-CG 3.55Å; Y169-P202 HydrophobicContact CE2-CB 4.27Å; Y169-P202 HydrophobicContact CE2-CG 3.61Å; Y169-P202 HydrophobicContact CG-CG 3.74Å; Y169-K204 PolarHBondContact OH-O 2.88Å; Y169-P205 VanDerWaalsContact OH-CA 3.28Å; Y169-P205 WeakPolarHBondContact OH-CA 3.35Å; Y169-L206 HydrophobicContact CD1-CD2 4.18Å; Y169-L206 HydrophobicContact CD2-CD2 3.72Å; Y169-L206 HydrophobicContact CE1-CD2 4.03Å; Y169-L206 HydrophobicContact CE1-CG 4.08Å; Y169-L206 HydrophobicContact CE2-CD2 3.54Å; Y169-L206 HydrophobicContact CE2-CG 4.06Å; Y169-L206 HydrophobicContact CG-CD2 4.04Å; Y169-L206 PolarHBondContact OH-N 3Å
170I96.5Very high95.3Very high18 Ų1871.8 Ų71.89%0.09239%0.394CS..EExtended strand (participates in β ladder)trans-105.5112.1-175.3-63.1178.1000110.1M159 I160 V166 K189 I190M159-I170 HydrophobicContact SD-CD1 3.58Å; M159-I170 VanDerWaalsContact SD-CD1 3.58Å; M159-I170 HydrophobicContact SD-CG1 4.14Å; I160-I170 HydrophobicContact CD1-CD1 4.44Å; I160-I170 HydrophobicContact CG1-CD1 3.5Å; I160-I170 VanDerWaalsContact CG1-CD1 3.5Å; I160-I170 HydrophobicContact CG1-CG1 4.04Å; I160-I170 WeakPolarHBondContact O-CD1 3.2Å; V166-I170 HydrophobicContact CG1-CB 4.41Å; V166-I170 HydrophobicContact CG1-CD1 4.13Å; V166-I170 HydrophobicContact CG2-CD1 4.39Å; V166-I170 WeakPolarHBondContact O-CB 3.37Å; V166-I170 PolarHBondContact O-N 3.06Å; V166-I170 VanDerWaalsContact O-N 3.13Å; I170-K189 HydrophobicContact CG2-CB 4.04Å; I170-K189 HydrophobicContact CG2-CD 4.47Å; I170-K189 HydrophobicContact CG2-CG 4.46Å; I170-I190 WeakPolarHBondContact CA-O 3.27Å
171D95.4Very high95Very high49 Ų4973.8 Ų73.826%0.26240%0.403SS..EExtended strand (participates in β ladder)trans-83.3132.2162.7-169.713.4000109.3A100 K189 I190A100-D171 HydrophobicContact CB-CB 3.98Å; A100-D171 WeakPolarHBondContact CB-OD2 3.14Å; A100-D171 PolarHBondContact N-OD2 3.05Å; D171-K189 CarbonylContact O-C 3.58Å; D171-K189 WeakPolarHBondContact O-CA 3.34Å; D171-I190 PolarHBondContact N-O 2.9Å; D171-I190 PolarHBondContact O-N 3.14Å
172K96.7Very high94.9Very high145 Ų14570 Ų7063%0.6339%0.394SS*.EExtended strand (participates in β ladder)trans-131.6134.9-17566.3-174.2177.6-170.90110.8V188 K189K172-V188 WeakPolarHBondContact CA-O 3.41Å; K172-K189 HydrophobicContact CB-CG 4.47Å
173A96.1Very high94.9Very high5 Ų570.5 Ų70.54%0.04139%0.388CS..EExtended strand (participates in β ladder)trans-135.9138.1175.200000111.1A100 I101 A104 K187 V188A100-A173 VanDerWaalsContact C-CB 3.42Å; A100-A173 HydrophobicContact CB-CB 3.85Å; A100-A173 WeakPolarHBondContact O-CB 3.39Å; I101-A173 HydrophobicContact CB-CB 4.44Å; I101-A173 HydrophobicContact CG1-CB 3.93Å; A104-A173 HydrophobicContact CB-CB 3.81Å; A173-K187 CarbonylContact O-C 3.6Å; A173-K187 WeakPolarHBondContact O-CA 3.38Å; A173-V188 PolarHBondContact N-O 3.33Å; A173-V188 PolarHBondContact O-N 3.4Å
174V96.6Very high95Very high75 Ų7568.1 Ų68.146%0.45536%0.362SS..EExtended strand (participates in β ladder)trans-119.4129.9173179.30000108.2I186 K187V174-I186 CarbonylContact C-O 3.37Å; V174-I186 VanDerWaalsContact CA-O 3.27Å; V174-I186 WeakPolarHBondContact CA-O 3.49Å; V174-K187 HydrophobicContact CG2-CB 4.31Å; V174-K187 HydrophobicContact CG2-CD 4.4Å; V174-K187 HydrophobicContact CG2-CG 4.04Å
175R95Very high95.1Very high39 Ų3963.8 Ų63.815%0.14734%0.342CS..EExtended strand (participates in β ladder)trans-136.4155.1178.8-69.3-60.6-179.3-91.72111.2I101 A104 E105 I186I101-R175 VanDerWaalsContact CG2-NH2 3.32Å; A104-R175 HydrophobicContact CB-CB 4.33Å; A104-R175 HydrophobicContact CB-CG 3.72Å; E105-R175 WeakPolarHBondContact OE1-CD 3.48Å; E105-R175 IonicContact OE1-CZ 3.86Å; E105-R175 IonicContact OE1-NE 2.96Å; E105-R175 PolarHBondContact OE1-NE 2.84Å; R175-I186 HydrophobicContact CB-CB 4.48Å; R175-I186 PolarHBondContact N-O 3.4Å; R175-I186 PolarHBondContact O-N 3.3Å
176H95.8Very high95.2Very high128 Ų12862.5 Ų62.559%0.59333%0.333SS*.EExtended strand (participates in β ladder)trans-109.6140.5178.4-57.4-65.2000109.1I183 L184H176-I183 HydrophobicContact CB-CG2 3.98Å; H176-L184 CarbonylContact C-O 3.57Å; H176-L184 WeakPolarHBondContact CA-O 3.3Å
177V94.9Very high95.3Very high1 Ų165 Ų651%0.00634%0.342CS..EExtended strand (participates in β ladder)trans-119.2123.5174-167.90000107.8R108 L111 L179 I183 L184 I186R108-V177 HydrophobicContact CB-CG2 3.96Å; R108-V177 HydrophobicContact CG-CG1 4.44Å; R108-V177 HydrophobicContact CG-CG2 3.99Å; L111-V177 HydrophobicContact CB-CG1 4.19Å; L111-V177 HydrophobicContact CD1-CG2 4.27Å; V177-L179 HydrophobicContact CG1-CG 4.26Å; V177-I183 CarbonylContact O-C 3.59Å; V177-I183 WeakPolarHBondContact O-CA 3.47Å; V177-L184 HydrophobicContact CB-CB 4.34Å; V177-L184 PolarHBondContact N-O 3.28Å; V177-L184 PolarHBondContact O-N 3.11Å; V177-I186 HydrophobicContact CG2-CD1 3.21Å; V177-I186 HydrophobicContact CG2-CG1 3.85Å
178Q94.4Very high95.4Very high167 Ų16759.8 Ų59.878%0.7831%0.314SS*.EExtended strand (participates in β ladder)trans-86.6119.6172.8-172.7173.7-0.200108.9
179L93.9Very high95.7Very high55 Ų5557 Ų5729%0.28830%0.298SS..EExtended strand (participates in β ladder)trans-121.8162.3172.5-70.4173.9000109.1V177 Q181 G182 L184V177-L179 HydrophobicContact CG1-CG 4.26Å; L179-Q181 PolarHBondContact O-N 2.97Å; L179-Q181 VanDerWaalsContact O-N 3.1Å; L179-G182 CarbonylContact C-O 3.6Å; L179-G182 PolarHBondContact N-O 3.11Å; L179-G182 CarbonylContact O-C 3.55Å; L179-G182 PolarHBondContact O-N 3.37Å; L179-L184 HydrophobicContact CD1-CD1 3.42Å; L179-L184 VanDerWaalsContact CD1-CD1 3.42Å; L179-L184 HydrophobicContact CD1-CG 3.92Å
180P91.7Very high95.8Very high141 Ų14156.7 Ų56.792%0.91630%0.296SS*.THydrogen-bonded Turntrans-55.4-30.7178.6-28.535.9000114.3G182P180-G182 VanDerWaalsContact C-N 3.31Å; P180-G182 PolarHBondContact O-N 3.18Å
181Q91.2Very high95.8Very high80 Ų8055.9 Ų55.937%0.37429%0.292SS..THydrogen-bonded Turntrans-78.9-12.7179.3-155.3-176.1-500113.7K143 G146 L179K143-Q181 HydrophobicContact CB-CG 4.37Å; K143-Q181 HydrophobicContact CD-CG 4.26Å; K143-Q181 PolarHBondContact O-OE1 2.95Å; G146-Q181 PolarHBondContact O-NE2 3.39Å; L179-Q181 PolarHBondContact O-N 2.97Å; L179-Q181 VanDerWaalsContact O-N 3.1Å
182G93.4Very high95.8Very high35 Ų3554.7 Ų54.736%0.36129%0.286SS..EExtended strand (participates in β ladder)trans135.5-159.2-174.700000112.5L179 P180L179-G182 CarbonylContact C-O 3.6Å; L179-G182 PolarHBondContact N-O 3.11Å; L179-G182 CarbonylContact O-C 3.55Å; L179-G182 PolarHBondContact O-N 3.37Å; P180-G182 VanDerWaalsContact C-N 3.31Å; P180-G182 PolarHBondContact O-N 3.18Å
183I96.4Very high95.7Very high115 Ų11551.5 Ų51.559%0.5928%0.275SS*.EExtended strand (participates in β ladder)trans-96.9132.9-176.5-59.3170.8000110.3H176 V177H176-I183 HydrophobicContact CB-CG2 3.98Å; V177-I183 CarbonylContact O-C 3.59Å; V177-I183 WeakPolarHBondContact O-CA 3.47Å
184L96.5Very high95.6Very high7 Ų754.6 Ų54.64%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-99.2139.7163.1-63.3-178.2000110.1V140 S141 I144 H176 V177 L179V140-L184 HydrophobicContact CG1-CD1 4.27Å; S141-L184 CarbonylContact O-C 3.59Å; S141-L184 WeakPolarHBondContact O-CA 3.43Å; I144-L184 HydrophobicContact CG1-CD2 4.05Å; H176-L184 CarbonylContact C-O 3.57Å; H176-L184 WeakPolarHBondContact CA-O 3.3Å; V177-L184 HydrophobicContact CB-CB 4.34Å; V177-L184 PolarHBondContact N-O 3.28Å; V177-L184 PolarHBondContact O-N 3.11Å; L179-L184 HydrophobicContact CD1-CD1 3.42Å; L179-L184 VanDerWaalsContact CD1-CD1 3.42Å; L179-L184 HydrophobicContact CD1-CG 3.92Å
185G97.5Very high95.4Very high14 Ų1452.5 Ų52.514%0.14428%0.275CS..EExtended strand (participates in β ladder)trans-97.6122.517000000110.9V140 S141V140-G185 CarbonylContact C-O 3.54Å; V140-G185 WeakPolarHBondContact CA-O 3.48Å; S141-G185 PolarHBondContact N-O 3.25Å; S141-G185 PolarHBondContact O-N 3.09Å; S141-G185 PolarHBondContact OG-O 2.89Å; S141-G185 VanDerWaalsContact OG-O 3.09Å
186I97.4Very high95.1Very high1 Ų155.5 Ų55.51%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-98.2134.3169.8-63164.2000108.3A104 L107 R108 L111 I139 V174 R175 V177 V188A104-I186 HydrophobicContact CB-CG2 4.49Å; L107-I186 HydrophobicContact CB-CD1 4.02Å; L107-I186 HydrophobicContact CB-CG2 4.45Å; L107-I186 HydrophobicContact CD2-CD1 4.31Å; L107-I186 HydrophobicContact CD2-CG1 4.25Å; L107-I186 HydrophobicContact CD2-CG2 3.64Å; L107-I186 HydrophobicContact CG-CD1 3.81Å; L107-I186 HydrophobicContact CG-CG1 4.23Å; L107-I186 HydrophobicContact CG-CG2 4.26Å; R108-I186 HydrophobicContact CB-CD1 3.94Å; L111-I186 HydrophobicContact CD1-CD1 4.09Å; L111-I186 HydrophobicContact CD1-CG1 4.24Å; I139-I186 CarbonylContact O-C 3.6Å; I139-I186 WeakPolarHBondContact O-CA 3.32Å; V174-I186 CarbonylContact C-O 3.37Å; V174-I186 VanDerWaalsContact CA-O 3.27Å; V174-I186 WeakPolarHBondContact CA-O 3.49Å; R175-I186 HydrophobicContact CB-CB 4.48Å; R175-I186 PolarHBondContact N-O 3.4Å; R175-I186 PolarHBondContact O-N 3.3Å; V177-I186 HydrophobicContact CG2-CD1 3.21Å; V177-I186 HydrophobicContact CG2-CG1 3.85Å; I186-V188 HydrophobicContact CG2-CG2 3.86Å
187K98.1Very high94.9Very high85 Ų8551.8 Ų51.837%0.3729%0.29SS..EExtended strand (participates in β ladder)trans-129.3121.4166.7-179.7173.4-176.6179.20109V138 I139 A173 V174V138-K187 CarbonylContact C-O 3.52Å; V138-K187 WeakPolarHBondContact CA-O 3.38Å; I139-K187 HydrophobicContact CB-CB 4.24Å; I139-K187 HydrophobicContact CD1-CD 4.3Å; I139-K187 PolarHBondContact N-O 2.71Å; I139-K187 PolarHBondContact O-N 3.38Å; A173-K187 CarbonylContact O-C 3.6Å; A173-K187 WeakPolarHBondContact O-CA 3.38Å; V174-K187 HydrophobicContact CG2-CB 4.31Å; V174-K187 HydrophobicContact CG2-CD 4.4Å; V174-K187 HydrophobicContact CG2-CG 4.04Å
188V97.9Very high94.4Very high0 Ų053.1 Ų53.10%031%0.305CS..EExtended strand (participates in β ladder)trans-112.9131.2175.3-178.90000107.9A100 Q103 A104 I128 E137 V138 K172 A173 I186 I190A100-V188 HydrophobicContact CB-CG1 4.36Å; Q103-V188 HydrophobicContact CB-CG1 4.4Å; A104-V188 HydrophobicContact CB-CB 4.43Å; A104-V188 HydrophobicContact CB-CG2 3.94Å; I128-V188 HydrophobicContact CD1-CG1 4.28Å; E137-V188 CarbonylContact O-C 3.57Å; E137-V188 WeakPolarHBondContact O-CA 3.32Å; V138-V188 HydrophobicContact CG1-CG2 4.48Å; V138-V188 HydrophobicContact CG2-CG1 4.45Å; V138-V188 HydrophobicContact CG2-CG2 4.43Å; K172-V188 WeakPolarHBondContact CA-O 3.41Å; A173-V188 PolarHBondContact N-O 3.33Å; A173-V188 PolarHBondContact O-N 3.4Å; I186-V188 HydrophobicContact CG2-CG2 3.86Å; V188-I190 HydrophobicContact CG1-CD1 4.26Å; V188-I190 HydrophobicContact CG1-CG1 3.92Å
189K98.1Very high94.1Very high31 Ų3153.2 Ų53.214%0.13530%0.302CS..EExtended strand (participates in β ladder)trans-122.1134.9166-56.6-176.3-164.6156.80108.5A136 E137 M159 I170 D171 K172A136-K189 CarbonylContact C-O 3.46Å; A136-K189 WeakPolarHBondContact CA-O 3.37Å; E137-K189 HydrophobicContact CB-CB 4.26Å; E137-K189 PolarHBondContact N-O 3.45Å; E137-K189 PolarHBondContact O-N 2.76Å; E137-K189 WeakPolarHBondContact OE2-CD 3.28Å; E137-K189 WeakPolarHBondContact OE2-CE 3.12Å; E137-K189 IonicContact OE2-NZ 2.61Å; E137-K189 PolarHBondContact OE2-NZ 3.12Å; M159-K189 HydrophobicContact CE-CB 4.06Å; M159-K189 HydrophobicContact SD-CB 4.16Å; M159-K189 HydrophobicContact SD-CD 4.33Å; I170-K189 HydrophobicContact CG2-CB 4.04Å; I170-K189 HydrophobicContact CG2-CD 4.47Å; I170-K189 HydrophobicContact CG2-CG 4.46Å; D171-K189 CarbonylContact O-C 3.58Å; D171-K189 WeakPolarHBondContact O-CA 3.34Å; K172-K189 HydrophobicContact CB-CG 4.47Å
190I97.8Very high93.9Very high0 Ų055.8 Ų55.80%031%0.311CS..EExtended strand (participates in β ladder)trans-124.7121.2177-55.6-176.3000107.1A100 Q103 I128 A133 I170 D171 V188 L192A100-I190 HydrophobicContact CB-CD1 4.22Å; A100-I190 HydrophobicContact CB-CG1 4.22Å; Q103-I190 HydrophobicContact CB-CD1 4.49Å; Q103-I190 HydrophobicContact CG-CD1 4.07Å; I128-I190 HydrophobicContact CD1-CD1 3.82Å; I128-I190 HydrophobicContact CD1-CG1 4.08Å; I128-I190 HydrophobicContact CG1-CD1 3.96Å; I128-I190 HydrophobicContact CG2-CD1 4.02Å; I128-I190 HydrophobicContact CG2-CG1 4.09Å; I128-I190 HydrophobicContact CG2-CG2 3.76Å; A133-I190 HydrophobicContact CB-CG2 3.76Å; I170-I190 WeakPolarHBondContact CA-O 3.27Å; D171-I190 PolarHBondContact N-O 2.9Å; D171-I190 PolarHBondContact O-N 3.14Å; V188-I190 HydrophobicContact CG1-CD1 4.26Å; V188-I190 HydrophobicContact CG1-CG1 3.92Å; I190-L192 HydrophobicContact CG2-CD2 4.33Å
191M97.4Very high93.8Very high0 Ų049.6 Ų49.60%027%0.274CS..EExtended strand (participates in β ladder)trans-85.5110169.6-175173.4179.400108.2R134 G135 L158 M159 I160 Y169 L206R134-M191 HydrophobicContact CB-CG 4.33Å; R134-M191 PolarHBondContact N-O 3.43Å; G135-M191 PolarHBondContact O-N 3.05Å; L158-M191 HydrophobicContact CB-SD 4.12Å; L158-M191 HydrophobicContact CD2-CE 3.8Å; L158-M191 HydrophobicContact CD2-SD 4.03Å; L158-M191 HydrophobicContact CG-CE 4.24Å; L158-M191 HydrophobicContact CG-SD 3.82Å; M159-M191 HydrophobicContact CE-CB 4.05Å; M159-M191 HydrophobicContact SD-CB 4.27Å; I160-M191 HydrophobicContact CD1-CE 4.36Å; I160-M191 HydrophobicContact CG1-CE 4.27Å; I160-M191 HydrophobicContact CG1-SD 4.36Å; I160-M191 HydrophobicContact CG2-CE 3.9Å; I160-M191 HydrophobicContact CG2-SD 4.3Å; Y169-M191 HydrophobicContact CD1-CE 4.41Å; M191-L206 HydrophobicContact CE-CD1 4.19Å
192L96.1Very high93.9Very high25 Ų2546.8 Ų46.813%0.13126%0.262CS..PPolyproline II helixtrans-67.9150.4176.9-58.2175.7000110.1L98 Y169 I190L98-L192 HydrophobicContact CB-CD2 3.91Å; L98-L192 HydrophobicContact CD2-CD2 4.43Å; Y169-L192 WeakPolarHBondContact CD1-O 3.41Å; Y169-L192 WeakPolarHBondContact O-CB 3.33Å; Y169-L192 WeakPolarHBondContact O-CG 3.29Å; Y169-L192 PolarHBondContact O-N 3.49Å; I190-L192 HydrophobicContact CG2-CD2 4.33Å
193D94.5Very high93.9Very high77 Ų7753.5 Ų53.541%0.41228%0.276SS..PPolyproline II helixtrans-82156.6172.1-161.217.2000111.3G201D193-G201 WeakPolarHBondContact O-CA 3.16Å
194H93.5Very high93.7Very high71 Ų7156 Ų5633%0.32928%0.283SS..PPolyproline II helixtrans-71.4130.4174.5174.8-113.4000109.7Y169 P202 R203Y169-H194 HydrophobicContact CE1-CB 4.37Å; H194-P202 PolarHBondContact CD2-O 3.06Å; H194-P202 VanDerWaalsContact CD2-O 3.27Å; H194-R203 PolarHBondContact NE2-O 3.1Å
195D91Very high93.5Very high31 Ų3159.1 Ų59.117%0.16630%0.304CS..  trans-136.2116179.1175.47.9000109S197 G198 K199 K200 P202 R203D195-S197 PolarHBondContact O-N 3.12Å; D195-S197 WeakPolarHBondContact OD1-CB 3.28Å; D195-S197 PolarHBondContact OD1-N 3.34Å; D195-S197 PolarHBondContact OD1-OG 2.86Å; D195-S197 PolarHBondContact OD2-OG 2.84Å; D195-G198 PolarHBondContact O-N 3Å; D195-K199 PolarHBondContact OD2-N 3.27Å; D195-K199 VanDerWaalsContact OD2-N 3.1Å; D195-K200 HydrophobicContact CB-CB 4.41Å; D195-K200 PolarHBondContact OD2-N 3.08Å; D195-P202 PolarHBondContact N-O 2.88Å; D195-R203 WeakPolarHBondContact O-CA 3.49Å
196S90.1Very high93.4Very high102 Ų10259 Ų5971%0.71330%0.3SS*.THydrogen-bonded Turntrans-60-28.8179.458.60000112.6G198S196-G198 VanDerWaalsContact C-N 3.34Å
197S90.5Very high93.2Very high49 Ų4964.2 Ų64.234%0.34333%0.334SS..THydrogen-bonded Turntrans-75.2-25.3176.978.60000112.8D195 K199 R203D195-S197 PolarHBondContact O-N 3.12Å; D195-S197 WeakPolarHBondContact OD1-CB 3.28Å; D195-S197 PolarHBondContact OD1-N 3.34Å; D195-S197 PolarHBondContact OD1-OG 2.86Å; D195-S197 PolarHBondContact OD2-OG 2.84Å; S197-K199 PolarHBondContact OG-N 2.95Å; S197-R203 PolarHBondContact O-NE 3.45Å; S197-R203 VanDerWaalsContact O-NE 3.12Å; S197-R203 PolarHBondContact O-NH2 3.35Å; S197-R203 VanDerWaalsContact O-NH2 3.08Å
198G86.1Confident93Very high30 Ų3066.1 Ų66.131%0.30935%0.348SS..SBendtrans74.720-17700000114.8D195 S196 G201 R203D195-G198 PolarHBondContact O-N 3Å; S196-G198 VanDerWaalsContact C-N 3.34Å; G198-G201 CarbonylContact C-O 3.56Å; G198-G201 WeakPolarHBondContact CA-O 3.47Å; G198-R203 VanDerWaalsContact CA-CG 3.42Å
199K87.3Confident92.7Very high168 Ų16869.2 Ų69.273%0.7337%0.367SS*.SBendtrans-87.8-42.8-179.1-71-178.1178.8178.30112.1F95 D195 S197F95-K199 HydrophobicContact CE2-CB 4.35Å; D195-K199 PolarHBondContact OD2-N 3.27Å; D195-K199 VanDerWaalsContact OD2-N 3.1Å; S197-K199 PolarHBondContact OG-N 2.95Å
200K88.6Confident92.4Very high109 Ų10973.6 Ų73.647%0.47440%0.396SS..SBendtrans-94.5-25.6-178.2-69.6-178.5180-178.10113.6F95 L98 D195F95-K200 HydrophobicContact CD1-CG 4.18Å; F95-K200 HydrophobicContact CD2-CG 3.81Å; F95-K200 HydrophobicContact CE1-CD 4.14Å; F95-K200 HydrophobicContact CE1-CG 3.9Å; F95-K200 HydrophobicContact CE2-CG 3.48Å; F95-K200 VanDerWaalsContact CE2-CG 3.48Å; F95-K200 HydrophobicContact CG-CG 4.15Å; F95-K200 HydrophobicContact CZ-CD 4.12Å; F95-K200 VanDerWaalsContact CZ-CE 3.49Å; F95-K200 HydrophobicContact CZ-CG 3.53Å; L98-K200 HydrophobicContact CD1-CB 3.95Å; L98-K200 HydrophobicContact CD1-CG 4.26Å; D195-K200 HydrophobicContact CB-CB 4.41Å; D195-K200 PolarHBondContact OD2-N 3.08Å
201G90Very high92.1Very high12 Ų1279.2 Ų79.212%0.12443%0.431CS..SBendtrans-160.8-172.6-173.600000112.4D193 G198D193-G201 WeakPolarHBondContact O-CA 3.16Å; G198-G201 CarbonylContact C-O 3.56Å; G198-G201 WeakPolarHBondContact CA-O 3.47Å
202P93.3Very high91.9Very high20 Ų2086.8 Ų86.813%0.1347%0.47CS..  trans-67.2141.2-178.226.9-33.8000111.8N168 Y169 H194 D195N168-P202 HydrophobicContact CB-CB 4.41Å; Y169-P202 HydrophobicContact CD1-CG 3.65Å; Y169-P202 HydrophobicContact CD2-CB 4.49Å; Y169-P202 HydrophobicContact CD2-CG 3.72Å; Y169-P202 HydrophobicContact CE1-CG 3.55Å; Y169-P202 HydrophobicContact CE2-CB 4.27Å; Y169-P202 HydrophobicContact CE2-CG 3.61Å; Y169-P202 HydrophobicContact CG-CG 3.74Å; H194-P202 PolarHBondContact CD2-O 3.06Å; H194-P202 VanDerWaalsContact CD2-O 3.27Å; D195-P202 PolarHBondContact N-O 2.88Å
203R93.5Very high91.8Very high176 Ų17692.9 Ų92.966%0.66450%0.501SS*.SBendtrans-72-34.8176.9-70.7-175.1173.9176.3-1.9113.6H194 D195 S197 G198H194-R203 PolarHBondContact NE2-O 3.1Å; D195-R203 WeakPolarHBondContact O-CA 3.49Å; S197-R203 PolarHBondContact O-NE 3.45Å; S197-R203 VanDerWaalsContact O-NE 3.12Å; S197-R203 PolarHBondContact O-NH2 3.35Å; S197-R203 VanDerWaalsContact O-NH2 3.08Å; G198-R203 VanDerWaalsContact CA-CG 3.42Å
204K92.4Very high91.7Very high168 Ų16894 Ų9473%0.7352%0.521SS*.SBendtrans-76.9126.3-179.4-66-177.3179.7-1790108Y169Y169-K204 PolarHBondContact OH-O 2.88Å
205P93.4Very high91.6Very high73 Ų7395.2 Ų95.247%0.47454%0.543SS..PPolyproline II helixtrans-64166.817429.3-34.5000110.4Y169Y169-P205 VanDerWaalsContact OH-CA 3.28Å; Y169-P205 WeakPolarHBondContact OH-CA 3.35Å
206L93.9Very high91.7Very high10 Ų10102.4 Ų102.45%0.05257%0.573CS.*PPolyproline II helixtrans-62.2143.2172-67.7169.5000109.1I160 P165 Y169 M191 D208 T209I160-L206 HydrophobicContact CD1-CD2 4.33Å; P165-L206 HydrophobicContact CB-CD2 3.98Å; Y169-L206 HydrophobicContact CD1-CD2 4.18Å; Y169-L206 HydrophobicContact CD2-CD2 3.72Å; Y169-L206 HydrophobicContact CE1-CD2 4.03Å; Y169-L206 HydrophobicContact CE1-CG 4.08Å; Y169-L206 HydrophobicContact CE2-CD2 3.54Å; Y169-L206 HydrophobicContact CE2-CG 4.06Å; Y169-L206 HydrophobicContact CG-CD2 4.04Å; Y169-L206 PolarHBondContact OH-N 3Å; M191-L206 HydrophobicContact CE-CD1 4.19Å; L206-D208 WeakPolarHBondContact CB-OD1 3.36Å; L206-D208 PolarHBondContact O-N 2.93Å; L206-D208 VanDerWaalsContact O-N 3.12Å; L206-T209 PolarHBondContact O-N 2.72Å
207P94Very high91.6Very high112 Ų112106.7 Ų106.773%0.72758%0.582SS**THydrogen-bonded Turntrans-65.3-18.2-172.226.8-35.8000114P165P165-P207 HydrophobicContact CG-CG 3.78Å
208D93.7Very high91.4Very high125 Ų125112.4 Ų112.467%0.66860%0.603SS**THydrogen-bonded Turntrans-95.9-8.8178.457.5-7.2000113.5L206 V210L206-D208 WeakPolarHBondContact CB-OD1 3.36Å; L206-D208 PolarHBondContact O-N 2.93Å; L206-D208 VanDerWaalsContact O-N 3.12Å; D208-V210 PolarHBondContact O-N 3.21Å
209T91.2Very high91.5Very high65 Ų65117.5 Ų117.540%0.39963%0.628SS.*  trans-88.7109.3-176.2-600000110.5L206L206-T209 PolarHBondContact O-N 2.72Å
210V92.9Very high91.4Very high123 Ų123116.5 Ų116.575%0.74563%0.63SS**  trans-103.3117.8176-1760000109.1D208 I212D208-V210 PolarHBondContact O-N 3.21Å; V210-I212 HydrophobicContact CG1-CG1 4.45Å
211T90.7Very high91.3Very high118 Ų118115.8 Ų115.872%0.72464%0.636SS**  trans-92110.4174.852.30000110.1
212I93.7Very high91.3Very high159 Ų159122.5 Ų122.582%0.81568%0.675SS**PPolyproline II helixtrans-89.4118.4174-55.4172.2000107.7V210V210-I212 HydrophobicContact CG1-CG1 4.45Å
213L93Very high91.2Very high153 Ų153124.3 Ų124.380%0.80169%0.692SS**PPolyproline II helixtrans-78141.6176.6-60.5176.9000109.8
214A93.2Very high91Very high100 Ų100122.6 Ų122.683%0.82670%0.703SS**PPolyproline II helixtrans-63.8136.4173.100000109.8
215A91.3Very high90.8Very high96 Ų96122.7 Ų122.779%0.79370%0.7SS**PPolyproline II helixtrans-60.9144.4172.800000109.6
216K92.5Very high90.6Very high182 Ų182124.4 Ų124.479%0.79171%0.714SS**PPolyproline II helixtrans-65.9137.4170.9-166.9179.8179.4-173.40107.9E218K216-E218 PolarHBondContact O-N 3Å
217E88.7Confident90.3Very high192 Ų192131.4 Ų131.490%0.89775%0.747SS**  trans-63.9108.4171.4-70.9-177.2172.500108.6
218E86.9Confident89.9Confident170 Ų170133.7 Ų133.779%0.79475%0.753SS**  trans-92.8121.6172.9-69.1-173.1170.500108.3K216 L220K216-E218 PolarHBondContact O-N 3Å; E218-L220 PolarHBondContact O-N 3.25Å
219V86.6Confident89Confident137 Ų137137.4 Ų137.483%0.8376%0.763SS**  trans-71.8114.7169.6-176.90000106.8P221V219-P221 WeakPolarHBondContact O-CD 3.42Å
220L86.8Confident87.7Confident147 Ų147146.8 Ų146.877%0.7781%0.806SS**  trans-59.1122.3176.4-69.8173.2000108.8E218 T222E218-L220 PolarHBondContact O-N 3.25Å; L220-T222 PolarHBondContact O-N 3.23Å
221P86.7Confident87.5Confident93 Ų93148 Ų14860%0.60481%0.809SS**  trans-63.1125.8175.224.5-30.8000108.8V219 A223 Y225V219-P221 WeakPolarHBondContact O-CD 3.42Å; P221-A223 VanDerWaalsContact C-N 3.33Å; P221-Y225 HydrophobicContact CB-CD1 4.48Å; P221-Y225 HydrophobicContact CB-CE1 4.28Å
222T89.5Confident87.3Confident153 Ų153149.6 Ų149.694%0.93981%0.813SS**SBendtrans-75.8-23.4-179.444.90000113L220L220-T222 PolarHBondContact O-N 3.23Å
223A89.9Confident86.9Confident59 Ų59149.1 Ų149.149%0.48881%0.813SS.*SBendtrans-146.3154.3177.100000110P221 Y225P221-A223 VanDerWaalsContact C-N 3.33Å; A223-Y225 PolarHBondContact O-N 3.47Å
224P90.8Very high86.6Confident139 Ų139148.8 Ų148.890%0.90381%0.814SS**  trans-63124.1171.126.6-32.9000109.6
225Y88.5Confident86.2Confident170 Ų170151.9 Ų151.967%0.66781%0.813SS**  trans-119.6145.8172.372.4-86.2000109.9P221 A223 E227P221-Y225 HydrophobicContact CB-CD1 4.48Å; P221-Y225 HydrophobicContact CB-CE1 4.28Å; A223-Y225 PolarHBondContact O-N 3.47Å; Y225-E227 HydrophobicContact CD2-CG 4.23Å; Y225-E227 HydrophobicContact CE2-CG 3.93Å
226S88.7Confident85.8Confident110 Ų110155.6 Ų155.677%0.76981%0.814SS**  trans-108119.9176.555.30000110.1
227E87.2Confident85.3Confident157 Ų157153.7 Ų153.773%0.73482%0.816SS**  trans-94.4110.3167.1-88.4-178.4175.900110Y225 K229Y225-E227 HydrophobicContact CD2-CG 4.23Å; Y225-E227 HydrophobicContact CE2-CG 3.93Å; E227-K229 PolarHBondContact O-N 3.28Å
228N84.5Confident85.1Confident159 Ų159150.8 Ų150.885%0.8581%0.81SS**  trans-80.2113.9167.4-83.2-16.1000108.9M230N228-M230 PolarHBondContact O-N 3.43Å
229K75.2Confident84.9Confident203 Ų203149.2 Ų149.288%0.88381%0.811SS**  trans-72.3120164.6-86.1179.4174.2173.70108.9E227E227-K229 PolarHBondContact O-N 3.28Å
230M64.8Low84.8Confident263 Ų263150.3 Ų150.3100%1.29681%0.809SS**  trans-65.60162-84.2-175.7168.400110.8N228N228-M230 PolarHBondContact O-N 3.43Å

Retrieved 230 of 230 residues in 151.8 ms (Link to these results)

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