A0A077ZBQ4_TRITR Loading...

Small RNA 2'-O-methyltransferase

AlphaFold DB , UniProt , Accession A0A077ZBQ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 165 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.1Low89.7Confident80 Ų8071.3 Ų71.339%0.39434%0.343SS..  0144.60-175.1-170.5-61.100110.7R5 R6 L33 I101M1-R5 HydrophobicContact CG-CB 4.08Å; M1-R5 HydrophobicContact SD-CB 4.29Å; M1-R6 HydrophobicContact CG-CG 4.13Å; M1-R6 PolarHBondContact O-NH1 2.82Å; M1-R6 HydrophobicContact SD-CG 3.34Å; M1-R6 WeakPolarHBondContact SD-CG 3.22Å; M1-L33 HydrophobicContact CE-CD2 4.27Å; M1-L33 HydrophobicContact SD-CD2 4.48Å; M1-I101 HydrophobicContact CE-CB 3.59Å; M1-I101 HydrophobicContact CE-CG1 4.46Å; M1-I101 HydrophobicContact CE-CG2 3.51Å; M1-I101 HydrophobicContact CG-CG2 4.29Å; M1-I101 HydrophobicContact SD-CB 4.27Å; M1-I101 HydrophobicContact SD-CG2 3.56Å; M1-I101 VanDerWaalsContact SD-CG2 3.56Å
2S78.1Confident90.3Very high47 Ų4768.7 Ų68.733%0.32933%0.332SS..  trans-65.2143.2176.3137.20000111.6Q4 R5 R6S2-Q4 VanDerWaalsContact C-N 3.28Å; S2-Q4 PolarHBondContact O-N 3.39Å; S2-Q4 PolarHBondContact OG-N 2.98Å; S2-R5 PolarHBondContact O-N 3.22Å; S2-R6 PolarHBondContact O-N 2.73Å
3V86.7Confident90.9Very high85 Ų8563.4 Ų63.452%0.51531%0.306SS..Hα-helixtrans-54.9-43.1-179.3173.30000111.7R5 R6 D7V3-R5 VanDerWaalsContact C-N 3.34Å; V3-R5 PolarHBondContact O-N 3.15Å; V3-R6 PolarHBondContact O-N 3.27Å; V3-D7 WeakPolarHBondContact CG1-OD2 3.39Å; V3-D7 VanDerWaalsContact O-CG 3.31Å; V3-D7 PolarHBondContact O-N 3.48Å
4Q92.8Very high91.3Very high158 Ų15869.7 Ų69.774%0.73833%0.325SS*.Hα-helixtrans-62.9-37-177.4-68.3178.2-13.400113.1S2 D7 E8S2-Q4 VanDerWaalsContact C-N 3.28Å; S2-Q4 PolarHBondContact O-N 3.39Å; S2-Q4 PolarHBondContact OG-N 2.98Å; Q4-D7 PolarHBondContact O-N 2.95Å; Q4-E8 PolarHBondContact O-N 3.27Å
5R93.8Very high91.7Very high73 Ų7370.2 Ų70.228%0.27534%0.339SS..Hα-helixtrans-64.9-44.4177.6-74.1-170.9-75.7-114.911.2111.6M1 S2 V3 D7 E8 V9 I101 E102M1-R5 HydrophobicContact CG-CB 4.08Å; M1-R5 HydrophobicContact SD-CB 4.29Å; S2-R5 PolarHBondContact O-N 3.22Å; V3-R5 VanDerWaalsContact C-N 3.34Å; V3-R5 PolarHBondContact O-N 3.15Å; R5-D7 VanDerWaalsContact C-N 3.33Å; R5-D7 PolarHBondContact O-N 3.32Å; R5-E8 PolarHBondContact O-N 3.16Å; R5-V9 WeakPolarHBondContact O-CG2 3.37Å; R5-V9 PolarHBondContact O-N 3.17Å; R5-I101 HydrophobicContact CB-CG2 4.39Å; R5-E102 WeakPolarHBondContact CD-OE1 3.36Å; R5-E102 IonicContact CZ-OE1 2.88Å; R5-E102 IonicContact CZ-OE2 3.27Å; R5-E102 VanDerWaalsContact NE-CG 3.31Å; R5-E102 IonicContact NE-OE1 3.89Å; R5-E102 IonicContact NE-OE2 3.3Å; R5-E102 IonicContact NH1-OE1 3.16Å; R5-E102 IonicContact NH1-OE2 3.81Å; R5-E102 PolarHBondContact NH1-OE2 3.47Å; R5-E102 IonicContact NH2-OE2 2.62Å; R5-E102 PolarHBondContact NH2-OE2 3.02Å
6R93.4Very high92.1Very high24 Ų2467.6 Ų67.69%0.09133%0.328CS..Hα-helixtrans-62.9-41.6176.7-65.6-169.3-172.1103.5-10.1111.7M1 S2 V3 E8 V9 V10 D32 L33M1-R6 HydrophobicContact CG-CG 4.13Å; M1-R6 PolarHBondContact O-NH1 2.82Å; M1-R6 HydrophobicContact SD-CG 3.34Å; M1-R6 WeakPolarHBondContact SD-CG 3.22Å; S2-R6 PolarHBondContact O-N 2.73Å; V3-R6 PolarHBondContact O-N 3.27Å; R6-E8 VanDerWaalsContact C-N 3.31Å; R6-E8 PolarHBondContact O-N 3.44Å; R6-V9 PolarHBondContact O-N 2.88Å; R6-V10 VanDerWaalsContact O-CG2 3.29Å; R6-V10 WeakPolarHBondContact O-CG2 3.35Å; R6-V10 PolarHBondContact O-N 3.28Å; R6-D32 IonicContact CZ-OD2 3.99Å; R6-D32 IonicContact NE-OD2 2.98Å; R6-D32 IonicContact NH2-OD2 3.68Å; R6-D32 PolarHBondContact NH2-OD2 3.47Å; R6-L33 HydrophobicContact CB-CD1 4.09Å; R6-L33 HydrophobicContact CG-CD1 4.14Å
7D95.1Very high92.2Very high74 Ų7474.6 Ų74.640%0.39636%0.36SS..Hα-helixtrans-63.2-39.5178.9-66.9-18.7000111.4V3 Q4 R5 V10 R11 R36V3-D7 WeakPolarHBondContact CG1-OD2 3.39Å; V3-D7 VanDerWaalsContact O-CG 3.31Å; V3-D7 PolarHBondContact O-N 3.48Å; Q4-D7 PolarHBondContact O-N 2.95Å; R5-D7 VanDerWaalsContact C-N 3.33Å; R5-D7 PolarHBondContact O-N 3.32Å; D7-V10 PolarHBondContact O-N 3.01Å; D7-R11 WeakPolarHBondContact O-CB 3.38Å; D7-R11 PolarHBondContact O-N 2.9Å; D7-R36 IonicContact OD1-CZ 3.72Å; D7-R36 IonicContact OD1-NH1 3.38Å; D7-R36 PolarHBondContact OD1-NH1 2.71Å
8E97.3Very high92.4Very high85 Ų8575.3 Ų75.340%0.39736%0.361SS..Hα-helixtrans-67.4-43177-177.459-170.600112.5Q4 R5 R6 V10 R11 I12Q4-E8 PolarHBondContact O-N 3.27Å; R5-E8 PolarHBondContact O-N 3.16Å; R6-E8 VanDerWaalsContact C-N 3.31Å; R6-E8 PolarHBondContact O-N 3.44Å; E8-V10 VanDerWaalsContact C-N 3.33Å; E8-V10 PolarHBondContact O-N 3.09Å; E8-R11 WeakPolarHBondContact O-CB 3.48Å; E8-R11 PolarHBondContact O-N 2.99Å; E8-R11 IonicContact OE1-CZ 2.73Å; E8-R11 IonicContact OE1-NE 2.68Å; E8-R11 PolarHBondContact OE1-NE 3.14Å; E8-R11 IonicContact OE1-NH2 2.99Å; E8-R11 PolarHBondContact OE1-NH2 3.47Å; E8-R11 IonicContact OE2-CZ 3.46Å; E8-R11 IonicContact OE2-NE 3.22Å; E8-R11 PolarHBondContact OE2-NE 3.29Å; E8-R11 IonicContact OE2-NH2 3.89Å; E8-I12 HydrophobicContact CG-CD1 4.21Å; E8-I12 WeakPolarHBondContact O-CG1 3.46Å; E8-I12 PolarHBondContact O-N 3.24Å
9V97.5Very high92.5Very high5 Ų576 Ų763%0.0337%0.372CS..Hα-helixtrans-58.9-46.2173.4173.80000110.6R5 R6 R11 I12 L13 L33 F37 T99 I101 I129R5-V9 WeakPolarHBondContact O-CG2 3.37Å; R5-V9 PolarHBondContact O-N 3.17Å; R6-V9 PolarHBondContact O-N 2.88Å; V9-R11 VanDerWaalsContact C-N 3.31Å; V9-R11 PolarHBondContact O-N 3.44Å; V9-I12 PolarHBondContact O-N 3.07Å; V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 HydrophobicContact CG1-CG 4.3Å; V9-L13 WeakPolarHBondContact O-CB 3.43Å; V9-L13 VanDerWaalsContact O-CG 3.31Å; V9-L13 WeakPolarHBondContact O-CG 3.46Å; V9-L13 PolarHBondContact O-N 3.01Å; V9-L33 HydrophobicContact CB-CD1 4.19Å; V9-L33 HydrophobicContact CG1-CD1 4.05Å; V9-L33 HydrophobicContact CG1-CD2 4.17Å; V9-F37 HydrophobicContact CG1-CE1 4.15Å; V9-F37 HydrophobicContact CG1-CZ 4.5Å; V9-T99 HydrophobicContact CG1-CG2 3.88Å; V9-I101 HydrophobicContact CG2-CD1 3.75Å; V9-I101 HydrophobicContact CG2-CG1 4.05Å; V9-I129 HydrophobicContact CG1-CD1 4.41Å; V9-I129 HydrophobicContact CG2-CG2 4.43Å
10V96.3Very high92.7Very high14 Ų1476.8 Ų76.89%0.08538%0.378CS..Hα-helixtrans-61.8-39.5177168.70000111.4R6 D7 E8 L13 R14 R36 I40R6-V10 VanDerWaalsContact O-CG2 3.29Å; R6-V10 WeakPolarHBondContact O-CG2 3.35Å; R6-V10 PolarHBondContact O-N 3.28Å; D7-V10 PolarHBondContact O-N 3.01Å; E8-V10 VanDerWaalsContact C-N 3.33Å; E8-V10 PolarHBondContact O-N 3.09Å; V10-L13 PolarHBondContact O-N 2.93Å; V10-R14 HydrophobicContact CG1-CG 4.42Å; V10-R14 WeakPolarHBondContact O-CB 3.23Å; V10-R14 WeakPolarHBondContact O-CG 3.29Å; V10-R14 PolarHBondContact O-N 3.06Å; V10-R36 HydrophobicContact CG2-CB 3.78Å; V10-I40 HydrophobicContact CG1-CD1 4.09Å
11R97.3Very high92.9Very high139 Ų13973.1 Ų73.153%0.52536%0.36SS..Hα-helixtrans-61.1-47.7175.9-170.7-166.269.974.70.3111.2D7 E8 V9 R14 S15D7-R11 WeakPolarHBondContact O-CB 3.38Å; D7-R11 PolarHBondContact O-N 2.9Å; E8-R11 WeakPolarHBondContact O-CB 3.48Å; E8-R11 PolarHBondContact O-N 2.99Å; E8-R11 IonicContact OE1-CZ 2.73Å; E8-R11 IonicContact OE1-NE 2.68Å; E8-R11 PolarHBondContact OE1-NE 3.14Å; E8-R11 IonicContact OE1-NH2 2.99Å; E8-R11 PolarHBondContact OE1-NH2 3.47Å; E8-R11 IonicContact OE2-CZ 3.46Å; E8-R11 IonicContact OE2-NE 3.22Å; E8-R11 PolarHBondContact OE2-NE 3.29Å; E8-R11 IonicContact OE2-NH2 3.89Å; V9-R11 VanDerWaalsContact C-N 3.31Å; V9-R11 PolarHBondContact O-N 3.44Å; R11-R14 PolarHBondContact O-N 3.17Å; R11-S15 PolarHBondContact O-N 2.99Å
12I97.8Very high94.8Very high40 Ų4069.7 Ų69.721%0.20534%0.344CS..Hα-helixtrans-61.1-50.2177.5-66.1165.4000109.9E8 V9 R14 S15 L16 I129E8-I12 HydrophobicContact CG-CD1 4.21Å; E8-I12 WeakPolarHBondContact O-CG1 3.46Å; E8-I12 PolarHBondContact O-N 3.24Å; V9-I12 PolarHBondContact O-N 3.07Å; I12-R14 VanDerWaalsContact C-N 3.31Å; I12-R14 PolarHBondContact O-N 3.42Å; I12-S15 WeakPolarHBondContact O-CB 3.41Å; I12-S15 PolarHBondContact O-N 3.14Å; I12-S15 PolarHBondContact O-OG 3.24Å; I12-L16 PolarHBondContact O-N 2.8Å; I12-I129 HydrophobicContact CB-CD1 4.12Å; I12-I129 HydrophobicContact CD1-CD1 4.28Å; I12-I129 HydrophobicContact CD1-CG2 4.48Å; I12-I129 HydrophobicContact CG2-CD1 3.67Å
13L97.9Very high95.8Very high0 Ų067.5 Ų67.50%033%0.328CS..Hα-helixtrans-60.9-37.8-179.4-71.1174.7000112.9V9 V10 S15 L16 V23 F37 I40 I43 V97V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 HydrophobicContact CG1-CG 4.3Å; V9-L13 WeakPolarHBondContact O-CB 3.43Å; V9-L13 VanDerWaalsContact O-CG 3.31Å; V9-L13 WeakPolarHBondContact O-CG 3.46Å; V9-L13 PolarHBondContact O-N 3.01Å; V10-L13 PolarHBondContact O-N 2.93Å; L13-S15 PolarHBondContact O-N 3.07Å; L13-L16 HydrophobicContact CD2-CD1 4.11Å; L13-L16 WeakPolarHBondContact O-CB 3.44Å; L13-L16 PolarHBondContact O-N 3.15Å; L13-V23 HydrophobicContact CD1-CG1 4.4Å; L13-V23 HydrophobicContact CD2-CG1 4.39Å; L13-V23 HydrophobicContact CD2-CG2 4.15Å; L13-F37 HydrophobicContact CD1-CD1 3.54Å; L13-F37 HydrophobicContact CD1-CE1 3.18Å; L13-F37 HydrophobicContact CD1-CG 4.46Å; L13-F37 HydrophobicContact CD1-CZ 3.85Å; L13-I40 HydrophobicContact CB-CD1 3.72Å; L13-I40 HydrophobicContact CD1-CD1 4.19Å; L13-I43 HydrophobicContact CB-CD1 4.44Å; L13-I43 HydrophobicContact CD1-CD1 4.1Å; L13-V97 HydrophobicContact CD2-CB 4.15Å; L13-V97 HydrophobicContact CD2-CG1 3.75Å; L13-V97 HydrophobicContact CD2-CG2 4.08Å
14R96.3Very high96.3Very high152 Ų15263.4 Ų63.457%0.57430%0.303SS*.Hα-helixtrans-67.2-23.8174.7-78.4179.7177.5-178.31.7113.6V10 R11 I12 L16 S39 I40V10-R14 HydrophobicContact CG1-CG 4.42Å; V10-R14 WeakPolarHBondContact O-CB 3.23Å; V10-R14 WeakPolarHBondContact O-CG 3.29Å; V10-R14 PolarHBondContact O-N 3.06Å; R11-R14 PolarHBondContact O-N 3.17Å; I12-R14 VanDerWaalsContact C-N 3.31Å; I12-R14 PolarHBondContact O-N 3.42Å; R14-L16 VanDerWaalsContact C-N 3.3Å; R14-S39 PolarHBondContact NH2-OG 2.86Å; R14-I40 HydrophobicContact CG-CD1 4.17Å; R14-I40 HydrophobicContact CG-CG1 4.14Å; R14-I40 HydrophobicContact CG-CG2 4.06Å
15S97.4Very high96.6Very high77 Ų7756 Ų5654%0.53827%0.269SS..Hα-helixtrans-80.5-12176.374.50000113.4R11 I12 L13R11-S15 PolarHBondContact O-N 2.99Å; I12-S15 WeakPolarHBondContact O-CB 3.41Å; I12-S15 PolarHBondContact O-N 3.14Å; I12-S15 PolarHBondContact O-OG 3.24Å; L13-S15 PolarHBondContact O-N 3.07Å
16L97.5Very high96.8Very high29 Ų2952.6 Ų52.615%0.15226%0.256CS..  trans-80.3124.9176-55.8179.9000109.6I12 L13 R14 M21 N42 V97 M126 V127I12-L16 PolarHBondContact O-N 2.8Å; L13-L16 HydrophobicContact CD2-CD1 4.11Å; L13-L16 WeakPolarHBondContact O-CB 3.44Å; L13-L16 PolarHBondContact O-N 3.15Å; R14-L16 VanDerWaalsContact C-N 3.3Å; L16-M21 HydrophobicContact CB-CE 4.07Å; L16-M21 HydrophobicContact CB-SD 3.9Å; L16-M21 HydrophobicContact CD1-CE 4.4Å; L16-M21 HydrophobicContact CD1-SD 4.01Å; L16-N42 PolarHBondContact O-ND2 2.78Å; L16-V97 HydrophobicContact CD1-CG2 3.65Å; L16-M126 HydrophobicContact CD1-CE 4.23Å; L16-M126 HydrophobicContact CD2-CE 4.49Å; L16-V127 HydrophobicContact CD1-CG2 4.13Å; L16-V127 HydrophobicContact CD2-CG2 4.01Å
17E94.1Very high97Very high187 Ų18752.4 Ų52.487%0.87426%0.262SS*.  trans-87.2-8.3-177-61.1-173.5158.400113.8
18K96.2Very high97Very high86 Ų8649.3 Ų49.337%0.37425%0.246SC..  trans-59.4127.9-176.4177.3169.5-175.8159.10110.8M21 N42 D96 M126K18-M21 HydrophobicContact CB-CG 3.85Å; K18-M21 HydrophobicContact CB-SD 3.9Å; K18-M21 HydrophobicContact CD-CG 4.18Å; K18-M21 HydrophobicContact CG-CG 3.82Å; K18-M21 HydrophobicContact CG-SD 4.48Å; K18-M21 WeakPolarHBondContact O-CG 3.44Å; K18-N42 WeakPolarHBondContact O-CB 3.39Å; K18-N42 PolarHBondContact O-ND2 3Å; K18-D96 HydrophobicContact CD-CB 4.41Å; K18-D96 WeakPolarHBondContact CE-OD1 3.2Å; K18-D96 IonicContact NZ-OD1 2.65Å; K18-D96 PolarHBondContact NZ-OD1 2.75Å; K18-M126 HydrophobicContact CB-CE 4.23Å; K18-M126 HydrophobicContact CD-CE 4.27Å; K18-M126 HydrophobicContact CD-SD 4.19Å
19P94.8Very high96.8Very high89 Ų8946.1 Ų46.158%0.57824%0.236SC*.THydrogen-bonded Turntrans-78.8152.8176.531.3-35.1000112M21P19-M21 VanDerWaalsContact C-N 3.33Å; P19-M21 PolarHBondContact O-N 2.71Å
20N95.1Very high96.6Very high91 Ų9149.5 Ų49.549%0.48725%0.253SS..THydrogen-bonded Turntrans56.437.6174.1-58.9-64.4000115N42 R44N20-N42 CarbonylContact C-O 3.47Å; N20-N42 WeakPolarHBondContact CA-O 3.43Å; N20-N42 PolarHBondContact N-O 3.14Å; N20-N42 VanDerWaalsContact N-O 3.08Å; N20-R44 HydrophobicContact CB-CB 4.28Å
21M97.5Very high96.3Very high0 Ų048.9 Ų48.90%025%0.25CC..EExtended strand (participates in β ladder)trans-60.7140.9-179.1-65.6-173.6-56.500112.3L16 K18 P19 V23 N42 I43 R44 R45 D96 V97 M126L16-M21 HydrophobicContact CB-CE 4.07Å; L16-M21 HydrophobicContact CB-SD 3.9Å; L16-M21 HydrophobicContact CD1-CE 4.4Å; L16-M21 HydrophobicContact CD1-SD 4.01Å; K18-M21 HydrophobicContact CB-CG 3.85Å; K18-M21 HydrophobicContact CB-SD 3.9Å; K18-M21 HydrophobicContact CD-CG 4.18Å; K18-M21 HydrophobicContact CG-CG 3.82Å; K18-M21 HydrophobicContact CG-SD 4.48Å; K18-M21 WeakPolarHBondContact O-CG 3.44Å; P19-M21 VanDerWaalsContact C-N 3.33Å; P19-M21 PolarHBondContact O-N 2.71Å; M21-V23 HydrophobicContact CB-CG2 4.47Å; M21-N42 WeakPolarHBondContact CE-ND2 3.31Å; M21-N42 PolarHBondContact N-O 3.02Å; M21-I43 HydrophobicContact CE-CG1 3.87Å; M21-R44 PolarHBondContact O-N 3.24Å; M21-R45 PolarHBondContact O-N 3.05Å; M21-D96 VanDerWaalsContact CA-OD2 3.24Å; M21-D96 WeakPolarHBondContact CA-OD2 3.28Å; M21-D96 HydrophobicContact CB-CB 4.25Å; M21-D96 HydrophobicContact CG-CB 4.3Å; M21-V97 HydrophobicContact SD-CG2 4.31Å; M21-M126 HydrophobicContact SD-CE 4.49Å
22T98Very high95.9Very high9 Ų945.4 Ų45.46%0.05524%0.241CC..EExtended strand (participates in β ladder)trans-98.2119.3159.6-590000109R45 I47 V95 D96 V97T22-R45 CarbonylContact C-O 3.56Å; T22-R45 VanDerWaalsContact CA-O 3.29Å; T22-R45 WeakPolarHBondContact CA-O 3.19Å; T22-R45 HydrophobicContact CG2-CB 4.15Å; T22-R45 HydrophobicContact CG2-CG 4.12Å; T22-R45 PolarHBondContact OG1-NE 3.19Å; T22-R45 VanDerWaalsContact OG1-NE 3.14Å; T22-R45 PolarHBondContact OG1-NH2 3.07Å; T22-I47 HydrophobicContact CG2-CD1 3.83Å; T22-I47 HydrophobicContact CG2-CG1 4.36Å; T22-V95 HydrophobicContact CG2-CG2 3.99Å; T22-D96 PolarHBondContact N-OD2 2.94Å; T22-D96 PolarHBondContact O-N 2.87Å; T22-V97 PolarHBondContact O-N 3.46Å
23V98.4Very high95.7Very high0 Ų043.6 Ų43.60%023%0.232CC..EExtended strand (participates in β ladder)trans-108134.1176.2-176.70000109.5L13 M21 F37 I43 R45 A46 I47 V97 T99L13-V23 HydrophobicContact CD1-CG1 4.4Å; L13-V23 HydrophobicContact CD2-CG1 4.39Å; L13-V23 HydrophobicContact CD2-CG2 4.15Å; M21-V23 HydrophobicContact CB-CG2 4.47Å; V23-F37 HydrophobicContact CB-CD2 4.26Å; V23-F37 HydrophobicContact CB-CE2 4.17Å; V23-F37 HydrophobicContact CG1-CD2 4.1Å; V23-F37 HydrophobicContact CG1-CE2 3.54Å; V23-F37 HydrophobicContact CG1-CZ 3.84Å; V23-I43 HydrophobicContact CG2-CD1 3.72Å; V23-I43 HydrophobicContact CG2-CG1 4.03Å; V23-I43 HydrophobicContact CG2-CG2 4.07Å; V23-R45 PolarHBondContact N-O 2.85Å; V23-A46 CarbonylContact O-C 3.46Å; V23-A46 VanDerWaalsContact O-CA 3.27Å; V23-A46 WeakPolarHBondContact O-CA 3.4Å; V23-I47 PolarHBondContact O-N 3.28Å; V23-V97 CarbonylContact C-O 3.54Å; V23-V97 WeakPolarHBondContact CA-O 3.35Å; V23-V97 HydrophobicContact CG1-CB 4.18Å; V23-V97 HydrophobicContact CG1-CG1 4.43Å; V23-V97 HydrophobicContact CG2-CB 4.13Å; V23-V97 HydrophobicContact CG2-CG2 4.41Å; V23-T99 HydrophobicContact CG1-CG2 4.43Å
24C98.5Very high95.5Very high0 Ų043.6 Ų43.60%023%0.232CC..EExtended strand (participates in β ladder)trans-115.4125176.3-168.60000110.6F26 I47 V95 V97 V98 T99C24-F26 VanDerWaalsContact SG-CE1 3.51Å; C24-I47 CarbonylContact C-O 3.5Å; C24-I47 VanDerWaalsContact CA-O 3.27Å; C24-I47 WeakPolarHBondContact CA-O 3.37Å; C24-I47 HydrophobicContact CB-CB 4.3Å; C24-V95 HydrophobicContact CB-CB 4.49Å; C24-V95 HydrophobicContact CB-CG1 3.65Å; C24-V95 HydrophobicContact CB-CG2 4.02Å; C24-V97 PolarHBondContact N-O 2.91Å; C24-V98 HydrophobicContact CB-CG2 4.42Å; C24-V98 CarbonylContact O-C 3.5Å; C24-V98 VanDerWaalsContact O-CA 3.3Å; C24-V98 WeakPolarHBondContact O-CA 3.46Å; C24-T99 PolarHBondContact O-N 3.5Å; C24-T99 PolarHBondContact O-OG1 2.92Å
25D98.2Very high95.2Very high1 Ų137.4 Ų37.41%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-103.9107.8177.3-166.634.5000109.7C28 I34 F37 I47 G48 V49 T99D25-C28 HydrophobicContact CB-CB 4.02Å; D25-C28 WeakPolarHBondContact OD2-CA 3.04Å; D25-C28 VanDerWaalsContact OD2-CB 3.27Å; D25-C28 WeakPolarHBondContact OD2-CB 3.47Å; D25-I34 HydrophobicContact CB-CD1 4.38Å; D25-I34 HydrophobicContact CB-CG1 4.17Å; D25-F37 HydrophobicContact CB-CE2 4.43Å; D25-I47 PolarHBondContact N-O 3.22Å; D25-G48 WeakPolarHBondContact O-CA 3.37Å; D25-V49 PolarHBondContact O-N 3.44Å; D25-T99 VanDerWaalsContact CA-OG1 3.3Å; D25-T99 WeakPolarHBondContact CA-OG1 3.47Å; D25-T99 WeakPolarHBondContact CB-OG1 3.49Å; D25-T99 PolarHBondContact OD1-OG1 3.39Å
26F98.3Very high94.9Very high2 Ų237.9 Ų37.91%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-83.3131.5176.1-81.511.9000109.7C24 V49 I85 L92 V98 T99 C100 V103 V115 V118 V119 I123C24-F26 VanDerWaalsContact SG-CE1 3.51Å; F26-V49 HydrophobicContact CD1-CB 4.26Å; F26-V49 HydrophobicContact CD1-CG2 4.28Å; F26-V49 HydrophobicContact CE1-CG2 4.21Å; F26-I85 HydrophobicContact CB-CD1 4.25Å; F26-I85 HydrophobicContact CB-CG2 3.85Å; F26-I85 HydrophobicContact CD1-CG2 3.95Å; F26-I85 HydrophobicContact CD2-CB 3.74Å; F26-I85 HydrophobicContact CD2-CD1 4.27Å; F26-I85 HydrophobicContact CD2-CG2 3.78Å; F26-I85 HydrophobicContact CE1-CG2 4.37Å; F26-I85 HydrophobicContact CE2-CB 3.99Å; F26-I85 HydrophobicContact CE2-CG2 4.21Å; F26-I85 HydrophobicContact CG-CB 4.13Å; F26-I85 HydrophobicContact CG-CG2 3.61Å; F26-I85 HydrophobicContact CZ-CG2 4.47Å; F26-L92 HydrophobicContact CE1-CD1 3.82Å; F26-L92 HydrophobicContact CZ-CD1 3.91Å; F26-V98 HydrophobicContact CD1-CG1 4.34Å; F26-V98 HydrophobicContact CD2-CG1 4.1Å; F26-V98 HydrophobicContact CE2-CG1 4.36Å; F26-V98 HydrophobicContact CG-CG1 4.12Å; F26-T99 WeakPolarHBondContact CB-O 3.45Å; F26-T99 PolarHBondContact N-O 2.86Å; F26-C100 HydrophobicContact CB-CB 4.18Å; F26-V103 WeakPolarHBondContact O-CG2 3.42Å; F26-V115 HydrophobicContact CD2-CG1 4.37Å; F26-V118 HydrophobicContact CE2-CG1 4.2Å; F26-V118 HydrophobicContact CZ-CG1 4.22Å; F26-V119 HydrophobicContact CD2-CG2 4.13Å; F26-V119 HydrophobicContact CE2-CG2 3.68Å; F26-I123 HydrophobicContact CE1-CD1 4.24Å; F26-I123 HydrophobicContact CE2-CD1 4.24Å; F26-I123 HydrophobicContact CZ-CD1 3.47Å; F26-I123 VanDerWaalsContact CZ-CD1 3.47Å
27G97.3Very high94.6Very high21 Ų2136.5 Ų36.522%0.21620%0.195CC..THydrogen-bonded Turntrans64.843.1-172.800000111.6G29 V49 D50G27-G29 PolarHBondContact O-N 3.31Å; G27-G29 VanDerWaalsContact O-N 3.16Å; G27-V49 WeakPolarHBondContact CA-O 3.44Å; G27-V49 PolarHBondContact N-O 3.25Å; G27-D50 WeakPolarHBondContact CA-OD2 3.46Å
28C95.9Very high94.4Very high8 Ų828 Ų285%0.05416%0.156CC..  trans-65.6-19.6-17167.10000113.6D25 L30 I34 V49 D50D25-C28 HydrophobicContact CB-CB 4.02Å; D25-C28 WeakPolarHBondContact OD2-CA 3.04Å; D25-C28 VanDerWaalsContact OD2-CB 3.27Å; D25-C28 WeakPolarHBondContact OD2-CB 3.47Å; C28-L30 CarbonylContact O-C 3.32Å; C28-L30 VanDerWaalsContact O-C 3.32Å; C28-L30 PolarHBondContact O-N 3.38Å; C28-I34 HydrophobicContact CB-CD1 4.09Å; C28-V49 PolarHBondContact N-O 2.85Å; C28-D50 PolarHBondContact N-OD2 3.17Å
29G93.5Very high94Very high18 Ų1826.7 Ų26.719%0.18616%0.158CC..SBendtrans49.4-124-175.100000111.3G27 D50G27-G29 PolarHBondContact O-N 3.31Å; G27-G29 VanDerWaalsContact O-N 3.16Å; G29-D50 VanDerWaalsContact CA-OD2 3.32Å; G29-D50 WeakPolarHBondContact CA-OD2 3.46Å; G29-D50 PolarHBondContact N-OD2 2.66Å
30L92Very high93.9Very high76 Ų7622.5 Ų22.540%0.39813%0.13SC..SBendtrans-70.5127.4165-69.1174.4000109.1C28 D32 T55 I58C28-L30 CarbonylContact O-C 3.32Å; C28-L30 VanDerWaalsContact O-C 3.32Å; C28-L30 PolarHBondContact O-N 3.38Å; L30-D32 PolarHBondContact O-N 3.35Å; L30-T55 HydrophobicContact CD2-CG2 3.85Å; L30-T55 HydrophobicContact CG-CG2 3.84Å; L30-I58 HydrophobicContact CD2-CB 4.27Å; L30-I58 HydrophobicContact CD2-CG2 3.91Å
31P89.6Confident93.7Very high2 Ų223.4 Ų23.41%0.01314%0.141CC..THydrogen-bonded Turntrans-73.532.6-16933-37.9000114.1L33 I34 C35 G59 L63 L80P31-L33 PolarHBondContact O-N 2.86Å; P31-I34 HydrophobicContact CB-CB 4.05Å; P31-I34 HydrophobicContact CB-CD1 4.03Å; P31-I34 HydrophobicContact CB-CG1 4.44Å; P31-I34 WeakPolarHBondContact O-CB 3.42Å; P31-I34 PolarHBondContact O-N 3.06Å; P31-I34 VanDerWaalsContact O-N 3.1Å; P31-C35 PolarHBondContact O-N 3.41Å; P31-C35 PolarHBondContact O-SG 3.39Å; P31-C35 VanDerWaalsContact O-SG 3.33Å; P31-G59 WeakPolarHBondContact CG-O 3.48Å; P31-L63 HydrophobicContact CG-CB 4.21Å; P31-L80 HydrophobicContact CB-CD2 4.15Å; P31-L80 HydrophobicContact CG-CD1 4.37Å
32D90.5Very high93.5Very high66 Ų6625 Ų2535%0.35315%0.149SC..Hα-helixtrans-53.6-39.9177.7-66.9-23000112.3R6 L30 R36R6-D32 IonicContact CZ-OD2 3.99Å; R6-D32 IonicContact NE-OD2 2.98Å; R6-D32 IonicContact NH2-OD2 3.68Å; R6-D32 PolarHBondContact NH2-OD2 3.47Å; L30-D32 PolarHBondContact O-N 3.35Å; D32-R36 WeakPolarHBondContact O-CG 3.48Å; D32-R36 PolarHBondContact O-N 3.12Å
33L93.5Very high93.4Very high2 Ų224.5 Ų24.51%0.0115%0.147CC..Hα-helixtrans-72.8-40.8179.4-177.556.5000110.8M1 R6 V9 P31 C35 R36 F37 I101M1-L33 HydrophobicContact CE-CD2 4.27Å; M1-L33 HydrophobicContact SD-CD2 4.48Å; R6-L33 HydrophobicContact CB-CD1 4.09Å; R6-L33 HydrophobicContact CG-CD1 4.14Å; V9-L33 HydrophobicContact CB-CD1 4.19Å; V9-L33 HydrophobicContact CG1-CD1 4.05Å; V9-L33 HydrophobicContact CG1-CD2 4.17Å; P31-L33 PolarHBondContact O-N 2.86Å; L33-C35 VanDerWaalsContact C-N 3.33Å; L33-C35 PolarHBondContact O-N 2.87Å; L33-R36 WeakPolarHBondContact O-CB 3.46Å; L33-R36 PolarHBondContact O-N 3.23Å; L33-F37 HydrophobicContact CD1-CD1 4.49Å; L33-F37 HydrophobicContact CD1-CE1 3.64Å; L33-F37 HydrophobicContact CD1-CZ 4.11Å; L33-F37 HydrophobicContact CD2-CE1 4.38Å; L33-F37 HydrophobicContact CD2-CZ 4.02Å; L33-F37 HydrophobicContact CG-CE1 3.62Å; L33-F37 HydrophobicContact CG-CE2 4.45Å; L33-F37 HydrophobicContact CG-CZ 3.55Å; L33-F37 VanDerWaalsContact O-CD1 3.32Å; L33-F37 WeakPolarHBondContact O-CD1 3.09Å; L33-F37 PolarHBondContact O-N 2.89Å; L33-I101 HydrophobicContact CD2-CG1 4.25Å
34I93.4Very high93.2Very high0 Ų030.6 Ų30.60%017%0.17CC..Hα-helixtrans-60.4-42173.9-65174.5000111.1D25 C28 P31 R36 F37 A46 L63 A78 L80D25-I34 HydrophobicContact CB-CD1 4.38Å; D25-I34 HydrophobicContact CB-CG1 4.17Å; C28-I34 HydrophobicContact CB-CD1 4.09Å; P31-I34 HydrophobicContact CB-CB 4.05Å; P31-I34 HydrophobicContact CB-CD1 4.03Å; P31-I34 HydrophobicContact CB-CG1 4.44Å; P31-I34 WeakPolarHBondContact O-CB 3.42Å; P31-I34 PolarHBondContact O-N 3.06Å; P31-I34 VanDerWaalsContact O-N 3.1Å; I34-R36 PolarHBondContact O-N 3.46Å; I34-F37 HydrophobicContact CG1-CD2 4.42Å; I34-F37 HydrophobicContact CG1-CE2 4.31Å; I34-F37 WeakPolarHBondContact O-CB 3.48Å; I34-F37 PolarHBondContact O-N 3.47Å; I34-A46 HydrophobicContact CG2-CB 3.76Å; I34-L63 HydrophobicContact CG2-CD1 3.76Å; I34-L63 HydrophobicContact CG2-CD2 4.4Å; I34-A78 HydrophobicContact CG2-CB 4.06Å; I34-L80 HydrophobicContact CD1-CD2 3.69Å
35C89.8Confident93Very high22 Ų2234.4 Ų34.415%0.14918%0.184CC..Hα-helixtrans-56.8-37.9174.3-68.30000111.4P31 L33 F37 S38 E66P31-C35 PolarHBondContact O-N 3.41Å; P31-C35 PolarHBondContact O-SG 3.39Å; P31-C35 VanDerWaalsContact O-SG 3.33Å; L33-C35 VanDerWaalsContact C-N 3.33Å; L33-C35 PolarHBondContact O-N 2.87Å; C35-F37 VanDerWaalsContact C-N 3.35Å; C35-F37 PolarHBondContact O-N 3.26Å; C35-S38 WeakPolarHBondContact O-CB 3.27Å; C35-S38 PolarHBondContact O-N 2.86Å; C35-S38 PolarHBondContact O-OG 2.81Å; C35-E66 HydrophobicContact CB-CG 4.36Å
36R90.9Very high92.9Very high86 Ų8634.4 Ų34.433%0.32518%0.184SC..Hα-helixtrans-69.7-29.4177.2-66.6173175.3-111.60.9113.4D7 V10 D32 L33 I34 S38 S39D7-R36 IonicContact OD1-CZ 3.72Å; D7-R36 IonicContact OD1-NH1 3.38Å; D7-R36 PolarHBondContact OD1-NH1 2.71Å; V10-R36 HydrophobicContact CG2-CB 3.78Å; D32-R36 WeakPolarHBondContact O-CG 3.48Å; D32-R36 PolarHBondContact O-N 3.12Å; L33-R36 WeakPolarHBondContact O-CB 3.46Å; L33-R36 PolarHBondContact O-N 3.23Å; I34-R36 PolarHBondContact O-N 3.46Å; R36-S38 PolarHBondContact O-N 3.24Å; R36-S39 WeakPolarHBondContact O-CB 3.47Å; R36-S39 PolarHBondContact O-N 2.73Å; R36-S39 VanDerWaalsContact O-N 3.17Å; R36-S39 PolarHBondContact O-OG 3.42Å
37F92.2Very high92.9Very high0 Ų034.4 Ų34.40%018%0.184CC..Hα-helixtrans-63.1-27.5176.4-59-18000112.6V9 L13 V23 D25 L33 I34 C35 S39 I40 I43 A46 F76V9-F37 HydrophobicContact CG1-CE1 4.15Å; V9-F37 HydrophobicContact CG1-CZ 4.5Å; L13-F37 HydrophobicContact CD1-CD1 3.54Å; L13-F37 HydrophobicContact CD1-CE1 3.18Å; L13-F37 HydrophobicContact CD1-CG 4.46Å; L13-F37 HydrophobicContact CD1-CZ 3.85Å; V23-F37 HydrophobicContact CB-CD2 4.26Å; V23-F37 HydrophobicContact CB-CE2 4.17Å; V23-F37 HydrophobicContact CG1-CD2 4.1Å; V23-F37 HydrophobicContact CG1-CE2 3.54Å; V23-F37 HydrophobicContact CG1-CZ 3.84Å; D25-F37 HydrophobicContact CB-CE2 4.43Å; L33-F37 HydrophobicContact CD1-CD1 4.49Å; L33-F37 HydrophobicContact CD1-CE1 3.64Å; L33-F37 HydrophobicContact CD1-CZ 4.11Å; L33-F37 HydrophobicContact CD2-CE1 4.38Å; L33-F37 HydrophobicContact CD2-CZ 4.02Å; L33-F37 HydrophobicContact CG-CE1 3.62Å; L33-F37 HydrophobicContact CG-CE2 4.45Å; L33-F37 HydrophobicContact CG-CZ 3.55Å; L33-F37 VanDerWaalsContact O-CD1 3.32Å; L33-F37 WeakPolarHBondContact O-CD1 3.09Å; L33-F37 PolarHBondContact O-N 2.89Å; I34-F37 HydrophobicContact CG1-CD2 4.42Å; I34-F37 HydrophobicContact CG1-CE2 4.31Å; I34-F37 WeakPolarHBondContact O-CB 3.48Å; I34-F37 PolarHBondContact O-N 3.47Å; C35-F37 VanDerWaalsContact C-N 3.35Å; C35-F37 PolarHBondContact O-N 3.26Å; F37-S39 PolarHBondContact O-N 3.42Å; F37-I40 HydrophobicContact CD1-CD1 4.47Å; F37-I40 PolarHBondContact O-N 3.07Å; F37-I43 HydrophobicContact CB-CD1 3.91Å; F37-I43 HydrophobicContact CB-CG2 4.34Å; F37-I43 HydrophobicContact CD1-CD1 4.36Å; F37-I43 HydrophobicContact CG-CD1 4.17Å; F37-A46 HydrophobicContact CB-CB 4.48Å; F37-A46 HydrophobicContact CD2-CB 3.87Å; F37-F76 HydrophobicContact CB-CE2 4.31Å; F37-F76 HydrophobicContact CB-CZ 4.06Å
38S88.4Confident92.9Very high8 Ų833.4 Ų33.46%0.05617%0.174CC..THydrogen-bonded Turntrans-57.1-31.217672.90000112.5C35 R36 I40 C70 R72C35-S38 WeakPolarHBondContact O-CB 3.27Å; C35-S38 PolarHBondContact O-N 2.86Å; C35-S38 PolarHBondContact O-OG 2.81Å; R36-S38 PolarHBondContact O-N 3.24Å; S38-I40 VanDerWaalsContact C-N 3.28Å; S38-I40 PolarHBondContact O-N 3.23Å; S38-C70 PolarHBondContact OG-SG 2.77Å; S38-R72 WeakPolarHBondContact O-CD 3.32Å; S38-R72 PolarHBondContact O-NH1 2.82Å
39S88.3Confident93Very high60 Ų6033.4 Ų33.442%0.4217%0.174SC..THydrogen-bonded Turntrans-78.4-4.5178.977.80000114.6R14 R36 F37R14-S39 PolarHBondContact NH2-OG 2.86Å; R36-S39 WeakPolarHBondContact O-CB 3.47Å; R36-S39 PolarHBondContact O-N 2.73Å; R36-S39 VanDerWaalsContact O-N 3.17Å; R36-S39 PolarHBondContact O-OG 3.42Å; F37-S39 PolarHBondContact O-N 3.42Å
40I92.7Very high93.2Very high1 Ų133.5 Ų33.51%0.00517%0.17CC..  trans-100.9110.6-177.3-51.6-175.6000108.3V10 L13 R14 F37 S38 N42 I43V10-I40 HydrophobicContact CG1-CD1 4.09Å; L13-I40 HydrophobicContact CB-CD1 3.72Å; L13-I40 HydrophobicContact CD1-CD1 4.19Å; R14-I40 HydrophobicContact CG-CD1 4.17Å; R14-I40 HydrophobicContact CG-CG1 4.14Å; R14-I40 HydrophobicContact CG-CG2 4.06Å; F37-I40 HydrophobicContact CD1-CD1 4.47Å; F37-I40 PolarHBondContact O-N 3.07Å; S38-I40 VanDerWaalsContact C-N 3.28Å; S38-I40 PolarHBondContact O-N 3.23Å; I40-N42 VanDerWaalsContact C-N 3.32Å; I40-N42 VanDerWaalsContact CG2-OD1 3.23Å; I40-N42 WeakPolarHBondContact CG2-OD1 3.31Å; I40-N42 PolarHBondContact O-N 3.03Å; I40-I43 HydrophobicContact CB-CB 4.47Å; I40-I43 HydrophobicContact CB-CD1 3.78Å; I40-I43 HydrophobicContact CB-CG1 3.98Å; I40-I43 HydrophobicContact CD1-CD1 3.76Å; I40-I43 HydrophobicContact CG1-CD1 4.23Å; I40-I43 HydrophobicContact CG2-CD1 3.97Å; I40-I43 HydrophobicContact CG2-CG1 3.92Å; I40-I43 PolarHBondContact O-N 3.32Å
41P90.7Very high93.4Very high109 Ų10935.5 Ų35.571%0.70818%0.18SC*.THydrogen-bonded Turntrans-60.1-34.4-166.8-27.835.4000115.4I43P41-I43 VanDerWaalsContact C-N 3.32Å
42N93.8Very high93.7Very high33 Ų3338.6 Ų38.618%0.17620%0.196CC..THydrogen-bonded Turntrans-84.3-2.1-179.163-32.8000113.8L16 K18 N20 M21 I40L16-N42 PolarHBondContact O-ND2 2.78Å; K18-N42 WeakPolarHBondContact O-CB 3.39Å; K18-N42 PolarHBondContact O-ND2 3Å; N20-N42 CarbonylContact C-O 3.47Å; N20-N42 WeakPolarHBondContact CA-O 3.43Å; N20-N42 PolarHBondContact N-O 3.14Å; N20-N42 VanDerWaalsContact N-O 3.08Å; M21-N42 WeakPolarHBondContact CE-ND2 3.31Å; M21-N42 PolarHBondContact N-O 3.02Å; I40-N42 VanDerWaalsContact C-N 3.32Å; I40-N42 VanDerWaalsContact CG2-OD1 3.23Å; I40-N42 WeakPolarHBondContact CG2-OD1 3.31Å; I40-N42 PolarHBondContact O-N 3.03Å
43I95.2Very high94Very high0 Ų038.9 Ų38.90%020%0.197CC..EExtended strand (participates in β ladder)trans-89.4112.5170.7-57.2-180000109.6L13 M21 V23 F37 I40 P41 R72 F76L13-I43 HydrophobicContact CB-CD1 4.44Å; L13-I43 HydrophobicContact CD1-CD1 4.1Å; M21-I43 HydrophobicContact CE-CG1 3.87Å; V23-I43 HydrophobicContact CG2-CD1 3.72Å; V23-I43 HydrophobicContact CG2-CG1 4.03Å; V23-I43 HydrophobicContact CG2-CG2 4.07Å; F37-I43 HydrophobicContact CB-CD1 3.91Å; F37-I43 HydrophobicContact CB-CG2 4.34Å; F37-I43 HydrophobicContact CD1-CD1 4.36Å; F37-I43 HydrophobicContact CG-CD1 4.17Å; I40-I43 HydrophobicContact CB-CB 4.47Å; I40-I43 HydrophobicContact CB-CD1 3.78Å; I40-I43 HydrophobicContact CB-CG1 3.98Å; I40-I43 HydrophobicContact CD1-CD1 3.76Å; I40-I43 HydrophobicContact CG1-CD1 4.23Å; I40-I43 HydrophobicContact CG2-CD1 3.97Å; I40-I43 HydrophobicContact CG2-CG1 3.92Å; I40-I43 PolarHBondContact O-N 3.32Å; P41-I43 VanDerWaalsContact C-N 3.32Å; I43-R72 PolarHBondContact O-NH1 3.43Å; I43-R72 PolarHBondContact O-NH2 3.01Å; I43-F76 HydrophobicContact CG2-CE2 3.99Å
44R93.8Very high94.1Very high128 Ų12841.6 Ų41.648%0.48322%0.22SC..EExtended strand (participates in β ladder)trans-91.4-34.8177.7-175174.9176.4132.3-1112N20 M21 Q77N20-R44 HydrophobicContact CB-CB 4.28Å; M21-R44 PolarHBondContact O-N 3.24Å; R44-Q77 PolarHBondContact O-N 3.3Å
45R95.2Very high94.1Very high80 Ų8043.2 Ų43.230%0.30223%0.23SC..EExtended strand (participates in β ladder)trans-136.1136.7-175.8-174.4168.957174.11.7111.2M21 T22 V23 I47 Q77M21-R45 PolarHBondContact O-N 3.05Å; T22-R45 CarbonylContact C-O 3.56Å; T22-R45 VanDerWaalsContact CA-O 3.29Å; T22-R45 WeakPolarHBondContact CA-O 3.19Å; T22-R45 HydrophobicContact CG2-CB 4.15Å; T22-R45 HydrophobicContact CG2-CG 4.12Å; T22-R45 PolarHBondContact OG1-NE 3.19Å; T22-R45 VanDerWaalsContact OG1-NE 3.14Å; T22-R45 PolarHBondContact OG1-NH2 3.07Å; V23-R45 PolarHBondContact N-O 2.85Å; R45-I47 HydrophobicContact CG-CG1 4.44Å; R45-Q77 CarbonylContact C-O 3.56Å; R45-Q77 VanDerWaalsContact CA-O 3.23Å; R45-Q77 WeakPolarHBondContact CA-O 3.47Å; R45-Q77 HydrophobicContact CG-CB 4.27Å; R45-Q77 HydrophobicContact CG-CG 4.48Å
46A96.1Very high94.4Very high0 Ų042.6 Ų42.60%023%0.225CC..EExtended strand (participates in β ladder)trans-122.8135.5171.400000109.9V23 I34 F37 F76 Q77 A78 I79V23-A46 CarbonylContact O-C 3.46Å; V23-A46 VanDerWaalsContact O-CA 3.27Å; V23-A46 WeakPolarHBondContact O-CA 3.4Å; I34-A46 HydrophobicContact CG2-CB 3.76Å; F37-A46 HydrophobicContact CB-CB 4.48Å; F37-A46 HydrophobicContact CD2-CB 3.87Å; A46-F76 HydrophobicContact CB-CE2 3.92Å; A46-F76 HydrophobicContact CB-CZ 3.54Å; A46-Q77 PolarHBondContact N-O 3.2Å; A46-A78 CarbonylContact O-C 3.46Å; A46-A78 WeakPolarHBondContact O-CA 3.42Å; A46-I79 PolarHBondContact O-N 2.98Å
47I97.2Very high94.5Very high2 Ų244.9 Ų44.91%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-119.9127.3177.9-60.9169.3000107.2T22 V23 C24 D25 R45 V49 I79 Y81 L92 V95T22-I47 HydrophobicContact CG2-CD1 3.83Å; T22-I47 HydrophobicContact CG2-CG1 4.36Å; V23-I47 PolarHBondContact O-N 3.28Å; C24-I47 CarbonylContact C-O 3.5Å; C24-I47 VanDerWaalsContact CA-O 3.27Å; C24-I47 WeakPolarHBondContact CA-O 3.37Å; C24-I47 HydrophobicContact CB-CB 4.3Å; D25-I47 PolarHBondContact N-O 3.22Å; R45-I47 HydrophobicContact CG-CG1 4.44Å; I47-V49 HydrophobicContact CG2-CG2 4.11Å; I47-I79 CarbonylContact C-O 3.27Å; I47-I79 VanDerWaalsContact CA-O 3.28Å; I47-I79 WeakPolarHBondContact CA-O 3.25Å; I47-Y81 HydrophobicContact CG2-CD2 3.61Å; I47-Y81 HydrophobicContact CG2-CE2 3.86Å; I47-L92 HydrophobicContact CD1-CD2 4.35Å; I47-L92 HydrophobicContact CG2-CD2 4.01Å; I47-V95 HydrophobicContact CD1-CG2 4.21Å
48G97.4Very high94.4Very high0 Ų049.7 Ų49.70%026%0.262CS..EExtended strand (participates in β ladder)trans-104136.6167.200000110.1D25 I79 L80 Y81D25-G48 WeakPolarHBondContact O-CA 3.37Å; G48-I79 PolarHBondContact N-O 2.75Å; G48-L80 CarbonylContact O-C 3.56Å; G48-L80 WeakPolarHBondContact O-CA 3.45Å; G48-Y81 PolarHBondContact O-N 3.28Å
49V98.2Very high94.4Very high9 Ų949.3 Ų49.36%0.05526%0.259CS..EExtended strand (participates in β ladder)trans-125.6125.7172.8-172.70000108.5D25 F26 G27 C28 I47 Y81 I85 L92D25-V49 PolarHBondContact O-N 3.44Å; F26-V49 HydrophobicContact CD1-CB 4.26Å; F26-V49 HydrophobicContact CD1-CG2 4.28Å; F26-V49 HydrophobicContact CE1-CG2 4.21Å; G27-V49 WeakPolarHBondContact CA-O 3.44Å; G27-V49 PolarHBondContact N-O 3.25Å; C28-V49 PolarHBondContact N-O 2.85Å; I47-V49 HydrophobicContact CG2-CG2 4.11Å; V49-Y81 WeakPolarHBondContact CA-O 3.32Å; V49-I85 HydrophobicContact CB-CG2 4.17Å; V49-I85 HydrophobicContact CG1-CG2 3.85Å; V49-L92 HydrophobicContact CG2-CD2 4.35Å
50D97.9Very high94.4Very high20 Ų2049.1 Ų49.111%0.10726%0.258CS..EExtended strand (participates in β ladder)trans-146151.7174-152.1-69.2000111.2G27 C28 G29 D52 L56 Y81 H82 G83G27-D50 WeakPolarHBondContact CA-OD2 3.46Å; C28-D50 PolarHBondContact N-OD2 3.17Å; G29-D50 VanDerWaalsContact CA-OD2 3.32Å; G29-D50 WeakPolarHBondContact CA-OD2 3.46Å; G29-D50 PolarHBondContact N-OD2 2.66Å; D50-D52 PolarHBondContact OD1-N 2.81Å; D50-L56 HydrophobicContact CB-CD1 3.97Å; D50-L56 HydrophobicContact CB-CD2 3.78Å; D50-L56 HydrophobicContact CB-CG 3.86Å; D50-Y81 PolarHBondContact N-O 2.81Å; D50-Y81 VanDerWaalsContact N-O 3.16Å; D50-H82 WeakPolarHBondContact O-CA 3.39Å; D50-G83 CarbonylContact C-O 3.5Å; D50-G83 VanDerWaalsContact C-O 3.27Å; D50-G83 PolarHBondContact O-N 2.99Å
51I97.3Very high93.9Very high118 Ų11854 Ų5461%0.60528%0.284SS*.SBendtrans-82.6-20.8176-159.3167.8000111.4L53 H82 G83 D84I51-L53 PolarHBondContact O-N 2.83Å; I51-H82 PolarHBondContact O-CD2 2.89Å; I51-H82 VanDerWaalsContact O-CD2 3.31Å; I51-H82 PolarHBondContact O-NE2 3.25Å; I51-H82 VanDerWaalsContact O-NE2 3.1Å; I51-G83 PolarHBondContact N-O 3.16Å; I51-D84 HydrophobicContact CD1-CB 4.43Å
52D96.1Very high93.4Very high67 Ų6752.5 Ų52.536%0.35827%0.27SS..  trans-85.392.3177.6-174.1-7000111.9D50 A54 T55 L56D50-D52 PolarHBondContact OD1-N 2.81Å; D52-A54 PolarHBondContact O-N 3.04Å; D52-A54 WeakPolarHBondContact OD1-CA 3.43Å; D52-A54 WeakPolarHBondContact OD1-CB 3.47Å; D52-A54 PolarHBondContact OD1-N 3.1Å; D52-T55 VanDerWaalsContact CG-OG1 3.31Å; D52-T55 PolarHBondContact O-N 2.74Å; D52-T55 PolarHBondContact OD1-N 3.44Å; D52-T55 VanDerWaalsContact OD1-N 3.09Å; D52-T55 WeakPolarHBondContact OD2-CB 3.36Å; D52-T55 PolarHBondContact OD2-OG1 2.68Å; D52-L56 WeakPolarHBondContact O-CG 3.36Å; D52-L56 PolarHBondContact O-N 3.21Å
53L95.7Very high92.9Very high72 Ų7251.6 Ų51.638%0.37727%0.265SS..Hα-helixtrans-58.5-31.8174.7-177.660.3000113.7I51 K57 H82I51-L53 PolarHBondContact O-N 2.83Å; L53-K57 HydrophobicContact CD1-CG 4.39Å; L53-K57 HydrophobicContact CG-CD 4.38Å; L53-K57 VanDerWaalsContact O-CG 3.3Å; L53-K57 WeakPolarHBondContact O-CG 3.3Å; L53-K57 PolarHBondContact O-N 3.11Å; L53-K57 VanDerWaalsContact O-N 3.09Å; L53-H82 HydrophobicContact CD1-CB 3.95Å
54A95.5Very high92Very high59 Ų5957 Ų5749%0.48829%0.291SS..Hα-helixtrans-69.7-46.1-178.800000110.1D52 K57 I58D52-A54 PolarHBondContact O-N 3.04Å; D52-A54 WeakPolarHBondContact OD1-CA 3.43Å; D52-A54 WeakPolarHBondContact OD1-CB 3.47Å; D52-A54 PolarHBondContact OD1-N 3.1Å; A54-K57 PolarHBondContact O-N 3.48Å; A54-I58 WeakPolarHBondContact O-CG1 3.42Å; A54-I58 PolarHBondContact O-N 3.44Å
55T94.6Very high91Very high34 Ų3456.6 Ų56.621%0.20930%0.298CS..Hα-helixtrans-64-42.4176.4-64.40000111.7L30 D52 K57 I58 G59L30-T55 HydrophobicContact CD2-CG2 3.85Å; L30-T55 HydrophobicContact CG-CG2 3.84Å; D52-T55 VanDerWaalsContact CG-OG1 3.31Å; D52-T55 PolarHBondContact O-N 2.74Å; D52-T55 PolarHBondContact OD1-N 3.44Å; D52-T55 VanDerWaalsContact OD1-N 3.09Å; D52-T55 WeakPolarHBondContact OD2-CB 3.36Å; D52-T55 PolarHBondContact OD2-OG1 2.68Å; T55-K57 VanDerWaalsContact C-N 3.32Å; T55-K57 PolarHBondContact O-N 3.22Å; T55-I58 PolarHBondContact O-N 3.39Å; T55-G59 PolarHBondContact O-N 3.43Å
56L95.2Very high90Very high9 Ų957.2 Ų57.25%0.04730%0.304CS..Hα-helixtrans-59.7-38.8175-72.1178000113.2D50 D52 G59 S60 L80 Y81 H82D50-L56 HydrophobicContact CB-CD1 3.97Å; D50-L56 HydrophobicContact CB-CD2 3.78Å; D50-L56 HydrophobicContact CB-CG 3.86Å; D52-L56 WeakPolarHBondContact O-CG 3.36Å; D52-L56 PolarHBondContact O-N 3.21Å; L56-G59 PolarHBondContact O-N 3.21Å; L56-S60 WeakPolarHBondContact O-CB 3.27Å; L56-S60 PolarHBondContact O-N 2.92Å; L56-L80 HydrophobicContact CD2-CB 4.28Å; L56-L80 HydrophobicContact CD2-CD1 4.31Å; L56-L80 HydrophobicContact CD2-CD2 4.38Å; L56-Y81 WeakPolarHBondContact CD1-O 3.42Å; L56-H82 HydrophobicContact CD1-CB 3.94Å
57K93.1Very high88.7Confident134 Ų13459.9 Ų59.958%0.58332%0.322SS*.Hα-helixtrans-65.5-39.5177.5-79.6175.6178.5178.60112.4L53 A54 T55L53-K57 HydrophobicContact CD1-CG 4.39Å; L53-K57 HydrophobicContact CG-CD 4.38Å; L53-K57 VanDerWaalsContact O-CG 3.3Å; L53-K57 WeakPolarHBondContact O-CG 3.3Å; L53-K57 PolarHBondContact O-N 3.11Å; L53-K57 VanDerWaalsContact O-N 3.09Å; A54-K57 PolarHBondContact O-N 3.48Å; T55-K57 VanDerWaalsContact C-N 3.32Å; T55-K57 PolarHBondContact O-N 3.22Å
58I90.5Very high87.3Confident100 Ų10066.5 Ų66.551%0.51335%0.353SS..Hα-helixtrans-63.5-53174.9-65.4165.9000108.8L30 A54 T55 S60 N61L30-I58 HydrophobicContact CD2-CB 4.27Å; L30-I58 HydrophobicContact CD2-CG2 3.91Å; A54-I58 WeakPolarHBondContact O-CG1 3.42Å; A54-I58 PolarHBondContact O-N 3.44Å; T55-I58 PolarHBondContact O-N 3.39Å; I58-S60 VanDerWaalsContact C-N 3.31Å; I58-S60 PolarHBondContact O-N 3Å; I58-N61 PolarHBondContact O-N 3.42Å
59G88.5Confident86.1Confident0 Ų070.2 Ų70.20%038%0.379CS..Hα-helixtrans-62.6-30.2-177.400000115.3P31 T55 L56 N61 D62 L63P31-G59 WeakPolarHBondContact CG-O 3.48Å; T55-G59 PolarHBondContact O-N 3.43Å; L56-G59 PolarHBondContact O-N 3.21Å; G59-N61 PolarHBondContact O-N 3.11Å; G59-D62 PolarHBondContact O-N 2.98Å; G59-L63 WeakPolarHBondContact O-CB 3.28Å; G59-L63 PolarHBondContact O-N 3.33Å
60S88.4Confident84.5Confident57 Ų5772 Ų7240%0.39939%0.391SS..Hα-helixtrans-61.3-33.2177.5-174.30000112.8L56 I58 Q64L56-S60 WeakPolarHBondContact O-CB 3.27Å; L56-S60 PolarHBondContact O-N 2.92Å; I58-S60 VanDerWaalsContact C-N 3.31Å; I58-S60 PolarHBondContact O-N 3Å; S60-Q64 PolarHBondContact O-N 2.78Å
61N81.9Confident83.2Confident102 Ų10283.1 Ų83.155%0.54543%0.432SS..Hα-helixtrans-69.8-43.5177.8-66.1-34.1000110.6I58 G59 Q64 L65I58-N61 PolarHBondContact O-N 3.42Å; G59-N61 PolarHBondContact O-N 3.11Å; N61-Q64 PolarHBondContact O-N 3.27Å; N61-L65 PolarHBondContact O-N 3.47Å
62D79Confident82.4Confident78 Ų7880.1 Ų80.142%0.41741%0.413SS..Hα-helixtrans-65.7-42.8179.5-62.4-23.1000111.5G59 Q64 L65 E66G59-D62 PolarHBondContact O-N 2.98Å; D62-Q64 VanDerWaalsContact C-N 3.29Å; D62-Q64 PolarHBondContact O-N 3.24Å; D62-L65 PolarHBondContact O-N 2.64Å; D62-E66 PolarHBondContact O-N 2.66Å
63L83.7Confident81.6Confident14 Ų1485.6 Ų85.67%0.07344%0.442CS..Hα-helixtrans-62.6-36.2178-173.664.1000112.3P31 I34 G59 S67 A78 L80P31-L63 HydrophobicContact CG-CB 4.21Å; I34-L63 HydrophobicContact CG2-CD1 3.76Å; I34-L63 HydrophobicContact CG2-CD2 4.4Å; G59-L63 WeakPolarHBondContact O-CB 3.28Å; G59-L63 PolarHBondContact O-N 3.33Å; L63-S67 WeakPolarHBondContact O-CB 3.31Å; L63-S67 PolarHBondContact O-N 3.28Å; L63-S67 PolarHBondContact O-OG 3.18Å; L63-A78 HydrophobicContact CD1-CB 3.85Å; L63-A78 HydrophobicContact CD2-CB 3.62Å; L63-A78 HydrophobicContact CG-CB 3.91Å; L63-L80 HydrophobicContact CD2-CD1 4.12Å; L63-L80 HydrophobicContact CD2-CD2 4.23Å; L63-L80 HydrophobicContact CD2-CG 4.02Å
64Q76.8Confident80.8Confident115 Ų11584 Ų8454%0.53744%0.437SS..Hα-helixtrans-65.1-41.3176.5-169.5173.610.700111.3S60 N61 D62 S67 Q68S60-Q64 PolarHBondContact O-N 2.78Å; N61-Q64 PolarHBondContact O-N 3.27Å; D62-Q64 VanDerWaalsContact C-N 3.29Å; D62-Q64 PolarHBondContact O-N 3.24Å; Q64-S67 PolarHBondContact O-OG 3.43Å; Q64-Q68 WeakPolarHBondContact O-CG 3.28Å; Q64-Q68 PolarHBondContact O-N 3.06Å
65L72.4Confident80.2Confident119 Ų11986 Ų8662%0.62345%0.445SS*.Hα-helixtrans-64.7-45.3176.6-66.8169.1000111.8N61 D62 Q68N61-L65 PolarHBondContact O-N 3.47Å; D62-L65 PolarHBondContact O-N 2.64Å; L65-Q68 PolarHBondContact O-N 3.4Å
66E73.9Confident80Confident93 Ų9386.2 Ų86.244%0.43544%0.443SS..Hα-helixtrans-66.5-38178.6-74.2-69.3175.900112.8C35 D62 Q68 S69 C70C35-E66 HydrophobicContact CB-CG 4.36Å; D62-E66 PolarHBondContact O-N 2.66Å; E66-Q68 PolarHBondContact O-N 3.33Å; E66-S69 PolarHBondContact O-N 3.32Å; E66-S69 PolarHBondContact O-OG 3.47Å; E66-S69 PolarHBondContact OE2-OG 2.93Å; E66-C70 PolarHBondContact O-N 2.62Å
67S69.8Low79.8Confident55 Ų5590.7 Ų90.739%0.38546%0.464SS..Hα-helixtrans-62.8-27.4178.272.10000113.4L63 Q64L63-S67 WeakPolarHBondContact O-CB 3.31Å; L63-S67 PolarHBondContact O-N 3.28Å; L63-S67 PolarHBondContact O-OG 3.18Å; Q64-S67 PolarHBondContact O-OG 3.43Å
68Q68.3Low79.8Confident142 Ų14285.9 Ų85.966%0.66445%0.449SS*.Hα-helixtrans-82.1-22.7179.1-68.5176.511.900112.9Q64 L65 E66Q64-Q68 WeakPolarHBondContact O-CG 3.28Å; Q64-Q68 PolarHBondContact O-N 3.06Å; L65-Q68 PolarHBondContact O-N 3.4Å; E66-Q68 PolarHBondContact O-N 3.33Å
69S71.2Confident79.9Confident77 Ų7782.8 Ų82.854%0.53843%0.433SS..Hα-helixtrans-83.4-29.1-178.472.60000112.5E66 R71E66-S69 PolarHBondContact O-N 3.32Å; E66-S69 PolarHBondContact O-OG 3.47Å; E66-S69 PolarHBondContact OE2-OG 2.93Å; S69-R71 PolarHBondContact O-N 3.31Å
70C65.8Low80.3Confident47 Ų4784.7 Ų84.732%0.31844%0.443SS..  trans-75.5104.3-177.5-83.60000112.8S38 E66 R72S38-C70 PolarHBondContact OG-SG 2.77Å; E66-C70 PolarHBondContact O-N 2.62Å; C70-R72 HydrophobicContact CB-CG 4.33Å; C70-R72 PolarHBondContact O-N 2.88Å
71R70.1Confident80.7Confident253 Ų25384.7 Ų84.796%0.95544%0.435SS*.  trans-74.7109.1166.6-71.7-175.6179.3-174.60.2109.8S69S69-R71 PolarHBondContact O-N 3.31Å
72R79.6Confident81.4Confident56 Ų5684.8 Ų84.821%0.21143%0.432CS..  trans-125.6150.3173.9-49.4-158.1-37.3-179.78.9110.7S38 I43 C70 S74 P75S38-R72 WeakPolarHBondContact O-CD 3.32Å; S38-R72 PolarHBondContact O-NH1 2.82Å; I43-R72 PolarHBondContact O-NH1 3.43Å; I43-R72 PolarHBondContact O-NH2 3.01Å; C70-R72 HydrophobicContact CB-CG 4.33Å; C70-R72 PolarHBondContact O-N 2.88Å; R72-S74 VanDerWaalsContact CB-O 3.27Å; R72-S74 WeakPolarHBondContact CB-O 3.39Å; R72-S74 PolarHBondContact NE-O 3.32Å; R72-S74 PolarHBondContact NH2-O 2.81Å; R72-S74 PolarHBondContact O-N 3.49Å; R72-P75 PolarHBondContact NH2-O 2.64Å; R72-P75 VanDerWaalsContact NH2-O 3.11Å
73D79.4Confident82.3Confident182 Ų18282.3 Ų82.397%0.97343%0.425SS*.SBendtrans-66.6-25.2173.3-60.2-31.2000112
74S79.5Confident83Confident39 Ų3985 Ų8527%0.27344%0.439SS..SBendtrans-126.9141.8177.168.90000112.4R72 F76R72-S74 VanDerWaalsContact CB-O 3.27Å; R72-S74 WeakPolarHBondContact CB-O 3.39Å; R72-S74 PolarHBondContact NE-O 3.32Å; R72-S74 PolarHBondContact NH2-O 2.81Å; R72-S74 PolarHBondContact O-N 3.49Å; S74-F76 PolarHBondContact O-N 2.78Å
75P82.9Confident84Confident101 Ų10180.1 Ų80.166%0.65642%0.417SS*.  trans-56.6135.6-179.3-23.432000112.4R72R72-P75 PolarHBondContact NH2-O 2.64Å; R72-P75 VanDerWaalsContact NH2-O 3.11Å
76F89.4Confident85.2Confident38 Ų3875.3 Ų75.317%0.16739%0.392CS..  trans-93129.1166.3-172.3-125.8000109.2F37 I43 A46 S74 A78F37-F76 HydrophobicContact CB-CE2 4.31Å; F37-F76 HydrophobicContact CB-CZ 4.06Å; I43-F76 HydrophobicContact CG2-CE2 3.99Å; A46-F76 HydrophobicContact CB-CE2 3.92Å; A46-F76 HydrophobicContact CB-CZ 3.54Å; S74-F76 PolarHBondContact O-N 2.78Å; F76-A78 HydrophobicContact CD1-CB 4.31Å; F76-A78 HydrophobicContact CE1-CB 3.8Å; F76-A78 HydrophobicContact CZ-CB 4.41Å
77Q91.4Very high86.4Confident103 Ų10374.6 Ų74.648%0.48140%0.398SS..EExtended strand (participates in β ladder)trans-109.2119.1171.1-175.5177.651.800109.6R44 R45 A46 I79R44-Q77 PolarHBondContact O-N 3.3Å; R45-Q77 CarbonylContact C-O 3.56Å; R45-Q77 VanDerWaalsContact CA-O 3.23Å; R45-Q77 WeakPolarHBondContact CA-O 3.47Å; R45-Q77 HydrophobicContact CG-CB 4.27Å; R45-Q77 HydrophobicContact CG-CG 4.48Å; A46-Q77 PolarHBondContact N-O 3.2Å; Q77-I79 HydrophobicContact CG-CD1 4.1Å; Q77-I79 HydrophobicContact CG-CG1 3.94Å
78A92.6Very high87.7Confident32 Ų3275.3 Ų75.326%0.26439%0.393SS..EExtended strand (participates in β ladder)trans-110.5132.217100000109.6I34 A46 L63 F76I34-A78 HydrophobicContact CG2-CB 4.06Å; A46-A78 CarbonylContact O-C 3.46Å; A46-A78 WeakPolarHBondContact O-CA 3.42Å; L63-A78 HydrophobicContact CD1-CB 3.85Å; L63-A78 HydrophobicContact CD2-CB 3.62Å; L63-A78 HydrophobicContact CG-CB 3.91Å; F76-A78 HydrophobicContact CD1-CB 4.31Å; F76-A78 HydrophobicContact CE1-CB 3.8Å; F76-A78 HydrophobicContact CZ-CB 4.41Å
79I93.8Very high89.1Confident36 Ų3670.9 Ų70.919%0.18537%0.374CS..EExtended strand (participates in β ladder)trans-131135.2-177.7-56.6169.5000108.1A46 I47 G48 Q77 Y81A46-I79 PolarHBondContact O-N 2.98Å; I47-I79 CarbonylContact C-O 3.27Å; I47-I79 VanDerWaalsContact CA-O 3.28Å; I47-I79 WeakPolarHBondContact CA-O 3.25Å; G48-I79 PolarHBondContact N-O 2.75Å; Q77-I79 HydrophobicContact CG-CD1 4.1Å; Q77-I79 HydrophobicContact CG-CG1 3.94Å; I79-Y81 HydrophobicContact CG2-CD1 4.27Å; I79-Y81 HydrophobicContact CG2-CD2 4.37Å; I79-Y81 HydrophobicContact CG2-CE1 3.76Å; I79-Y81 HydrophobicContact CG2-CE2 3.89Å
80L95.9Very high90.4Very high39 Ų3977.2 Ų77.220%0.20439%0.386CS..EExtended strand (participates in β ladder)trans-112.5132.2172.3-60179.5000109.5P31 I34 G48 L56 L63P31-L80 HydrophobicContact CB-CD2 4.15Å; P31-L80 HydrophobicContact CG-CD1 4.37Å; I34-L80 HydrophobicContact CD1-CD2 3.69Å; G48-L80 CarbonylContact O-C 3.56Å; G48-L80 WeakPolarHBondContact O-CA 3.45Å; L56-L80 HydrophobicContact CD2-CB 4.28Å; L56-L80 HydrophobicContact CD2-CD1 4.31Å; L56-L80 HydrophobicContact CD2-CD2 4.38Å; L63-L80 HydrophobicContact CD2-CD1 4.12Å; L63-L80 HydrophobicContact CD2-CD2 4.23Å; L63-L80 HydrophobicContact CD2-CG 4.02Å
81Y97.1Very high91.9Very high57 Ų5781 Ų8122%0.22439%0.393CS..EExtended strand (participates in β ladder)trans-116.9129.3173.5-67.9-51.7000110I47 G48 V49 D50 L56 I79 R91I47-Y81 HydrophobicContact CG2-CD2 3.61Å; I47-Y81 HydrophobicContact CG2-CE2 3.86Å; G48-Y81 PolarHBondContact O-N 3.28Å; V49-Y81 WeakPolarHBondContact CA-O 3.32Å; D50-Y81 PolarHBondContact N-O 2.81Å; D50-Y81 VanDerWaalsContact N-O 3.16Å; L56-Y81 WeakPolarHBondContact CD1-O 3.42Å; I79-Y81 HydrophobicContact CG2-CD1 4.27Å; I79-Y81 HydrophobicContact CG2-CD2 4.37Å; I79-Y81 HydrophobicContact CG2-CE1 3.76Å; I79-Y81 HydrophobicContact CG2-CE2 3.89Å; Y81-R91 VanDerWaalsContact CE1-NH1 3.28Å; Y81-R91 HydrophobicContact CE2-CB 4.43Å
82H97.6Very high93.2Very high104 Ų10469.3 Ų69.348%0.48135%0.35SS..EExtended strand (participates in β ladder)trans-80.1116.6164.1173-128.9000108.6D50 I51 L53 L56D50-H82 WeakPolarHBondContact O-CA 3.39Å; I51-H82 PolarHBondContact O-CD2 2.89Å; I51-H82 VanDerWaalsContact O-CD2 3.31Å; I51-H82 PolarHBondContact O-NE2 3.25Å; I51-H82 VanDerWaalsContact O-NE2 3.1Å; L53-H82 HydrophobicContact CD1-CB 3.95Å; L56-H82 HydrophobicContact CD1-CB 3.94Å
83G97.6Very high94Very high26 Ų2673.2 Ų73.227%0.26837%0.37SS..  trans-174.6161.6-175.900000113.8D50 I51D50-G83 CarbonylContact C-O 3.5Å; D50-G83 VanDerWaalsContact C-O 3.27Å; D50-G83 PolarHBondContact O-N 2.99Å; I51-G83 PolarHBondContact N-O 3.16Å
84D97.8Very high94.7Very high70 Ų7066.7 Ų66.737%0.37435%0.345SS..  trans-91.7121.8174.9176.45.7000110I51 C86 S87I51-D84 HydrophobicContact CD1-CB 4.43Å; D84-C86 PolarHBondContact O-N 3.34Å; D84-C86 VanDerWaalsContact OD1-CB 3.27Å; D84-C86 WeakPolarHBondContact OD1-CB 3.29Å; D84-C86 PolarHBondContact OD1-N 2.83Å; D84-C86 PolarHBondContact OD1-SG 3.41Å; D84-S87 PolarHBondContact O-N 3.16Å
85I98.3Very high95.6Very high14 Ų1465.1 Ų65.17%0.07233%0.334CS..THydrogen-bonded Turntrans-67.9-11.6179.659.9166.4000113.6F26 V49 S87 V103 M107 V115F26-I85 HydrophobicContact CB-CD1 4.25Å; F26-I85 HydrophobicContact CB-CG2 3.85Å; F26-I85 HydrophobicContact CD1-CG2 3.95Å; F26-I85 HydrophobicContact CD2-CB 3.74Å; F26-I85 HydrophobicContact CD2-CD1 4.27Å; F26-I85 HydrophobicContact CD2-CG2 3.78Å; F26-I85 HydrophobicContact CE1-CG2 4.37Å; F26-I85 HydrophobicContact CE2-CB 3.99Å; F26-I85 HydrophobicContact CE2-CG2 4.21Å; F26-I85 HydrophobicContact CG-CB 4.13Å; F26-I85 HydrophobicContact CG-CG2 3.61Å; F26-I85 HydrophobicContact CZ-CG2 4.47Å; V49-I85 HydrophobicContact CB-CG2 4.17Å; V49-I85 HydrophobicContact CG1-CG2 3.85Å; I85-S87 PolarHBondContact O-N 2.82Å; I85-V103 HydrophobicContact CD1-CG1 3.74Å; I85-M107 HydrophobicContact CD1-CE 4.29Å; I85-M107 HydrophobicContact CD1-SD 4Å; I85-M107 HydrophobicContact CG1-CE 4.22Å; I85-V115 HydrophobicContact CB-CG2 4.46Å; I85-V115 HydrophobicContact CD1-CG1 4.3Å; I85-V115 HydrophobicContact CD1-CG2 3.77Å; I85-V115 HydrophobicContact CG1-CG2 3.79Å
86C98.3Very high96.4Very high17 Ų1761.2 Ų61.212%0.11531%0.308CS..THydrogen-bonded Turntrans-73.2-11.8169.1-58.60000113.2D84 M107 K114D84-C86 PolarHBondContact O-N 3.34Å; D84-C86 VanDerWaalsContact OD1-CB 3.27Å; D84-C86 WeakPolarHBondContact OD1-CB 3.29Å; D84-C86 PolarHBondContact OD1-N 2.83Å; D84-C86 PolarHBondContact OD1-SG 3.41Å; C86-M107 WeakPolarHBondContact SG-CE 3.5Å; C86-K114 HydrophobicContact CB-CB 4.01Å; C86-K114 HydrophobicContact CB-CD 4.12Å
87S97.3Very high96.8Very high78 Ų7859.4 Ų59.455%0.54530%0.3SS..SBendtrans-117.8116-176.5-63.80000110.4D84 I85 D89D84-S87 PolarHBondContact O-N 3.16Å; I85-S87 PolarHBondContact O-N 2.82Å; S87-D89 PolarHBondContact O-N 2.96Å
88Y97.9Very high97.2Very high70 Ų7054.5 Ų54.528%0.27528%0.277SS..  trans-64.3133.6177.8174-107.8000112.3V118 Q122 I123Y88-V118 HydrophobicContact CD2-CG1 4.36Å; Y88-Q122 VanDerWaalsContact CB-NE2 3.32Å; Y88-Q122 HydrophobicContact CD1-CB 4.19Å; Y88-Q122 HydrophobicContact CD2-CB 3.5Å; Y88-Q122 VanDerWaalsContact CD2-CB 3.5Å; Y88-Q122 HydrophobicContact CE1-CB 4.48Å; Y88-Q122 HydrophobicContact CE2-CB 3.83Å; Y88-Q122 HydrophobicContact CG-CB 3.69Å; Y88-Q122 HydrophobicContact CG-CG 4.32Å; Y88-I123 HydrophobicContact CD2-CG1 3.89Å; Y88-I123 HydrophobicContact CE2-CG1 3.74Å
89D98.1Very high97.5Very high50 Ų5053 Ų5327%0.26726%0.264SS..  trans-114.2127.9171.1-167.3-61.3000110.4S87 R91 L92S87-D89 PolarHBondContact O-N 2.96Å; D89-R91 VanDerWaalsContact CG-NE 3.33Å; D89-R91 PolarHBondContact O-N 2.88Å; D89-R91 WeakPolarHBondContact OD1-CB 3.13Å; D89-R91 VanDerWaalsContact OD1-CG 3.23Å; D89-R91 WeakPolarHBondContact OD1-CG 3.37Å; D89-R91 IonicContact OD1-CZ 3.71Å; D89-R91 PolarHBondContact OD1-N 3.1Å; D89-R91 IonicContact OD1-NE 3.51Å; D89-R91 PolarHBondContact OD1-NE 3.31Å; D89-R91 IonicContact OD1-NH2 2.68Å; D89-R91 IonicContact OD2-CZ 3.76Å; D89-R91 VanDerWaalsContact OD2-CZ 3.3Å; D89-R91 IonicContact OD2-NE 3.78Å; D89-R91 PolarHBondContact OD2-NE 3.22Å; D89-R91 VanDerWaalsContact OD2-NE 3.16Å; D89-R91 IonicContact OD2-NH2 3.11Å; D89-R91 PolarHBondContact OD2-NH2 3.4Å; D89-L92 HydrophobicContact CB-CG 4.38Å; D89-L92 WeakPolarHBondContact O-CB 3.3Å; D89-L92 PolarHBondContact O-N 3.16Å
90R97.1Very high97.7Very high210 Ų21051.2 Ų51.279%0.79226%0.256SS*.G310 helixtrans-56.4-21.5179.770.4-176.8-175.9113.4-0.8114.1L92 H93R90-L92 PolarHBondContact O-N 2.65Å; R90-H93 VanDerWaalsContact O-CB 3.26Å; R90-H93 WeakPolarHBondContact O-CB 2.95Å; R90-H93 PolarHBondContact O-N 2.99Å
91R97.5Very high97.7Very high126 Ų12649.7 Ų49.748%0.47525%0.248SC..G310 helixtrans-68-17.1176-65.6173-74.31761.1112.6Y81 D89 H93Y81-R91 VanDerWaalsContact CE1-NH1 3.28Å; Y81-R91 HydrophobicContact CE2-CB 4.43Å; D89-R91 VanDerWaalsContact CG-NE 3.33Å; D89-R91 PolarHBondContact O-N 2.88Å; D89-R91 WeakPolarHBondContact OD1-CB 3.13Å; D89-R91 VanDerWaalsContact OD1-CG 3.23Å; D89-R91 WeakPolarHBondContact OD1-CG 3.37Å; D89-R91 IonicContact OD1-CZ 3.71Å; D89-R91 PolarHBondContact OD1-N 3.1Å; D89-R91 IonicContact OD1-NE 3.51Å; D89-R91 PolarHBondContact OD1-NE 3.31Å; D89-R91 IonicContact OD1-NH2 2.68Å; D89-R91 IonicContact OD2-CZ 3.76Å; D89-R91 VanDerWaalsContact OD2-CZ 3.3Å; D89-R91 IonicContact OD2-NE 3.78Å; D89-R91 PolarHBondContact OD2-NE 3.22Å; D89-R91 VanDerWaalsContact OD2-NE 3.16Å; D89-R91 IonicContact OD2-NH2 3.11Å; D89-R91 PolarHBondContact OD2-NH2 3.4Å; R91-H93 VanDerWaalsContact C-N 3.32Å
92L97.9Very high97.6Very high8 Ų848.5 Ų48.54%0.04224%0.244CC..G310 helixtrans-86.6-0.6175.1-54-178.5000113F26 I47 V49 D89 R90 G94 V95 I123F26-L92 HydrophobicContact CE1-CD1 3.82Å; F26-L92 HydrophobicContact CZ-CD1 3.91Å; I47-L92 HydrophobicContact CD1-CD2 4.35Å; I47-L92 HydrophobicContact CG2-CD2 4.01Å; V49-L92 HydrophobicContact CG2-CD2 4.35Å; D89-L92 HydrophobicContact CB-CG 4.38Å; D89-L92 WeakPolarHBondContact O-CB 3.3Å; D89-L92 PolarHBondContact O-N 3.16Å; R90-L92 PolarHBondContact O-N 2.65Å; L92-G94 PolarHBondContact O-N 3.23Å; L92-V95 HydrophobicContact CB-CG2 4.39Å; L92-V95 WeakPolarHBondContact O-CB 3.15Å; L92-V95 WeakPolarHBondContact O-CG2 3.13Å; L92-V95 PolarHBondContact O-N 3.43Å; L92-I123 HydrophobicContact CB-CD1 4.07Å; L92-I123 HydrophobicContact CB-CG1 4.07Å; L92-I123 HydrophobicContact CD1-CD1 3.82Å
93H96.1Very high97.6Very high138 Ų13844.4 Ų44.464%0.63923%0.226SC*.THydrogen-bonded Turntrans-60.6133.5174.8-176.673.4000111.5R90 R91 V95R90-H93 VanDerWaalsContact O-CB 3.26Å; R90-H93 WeakPolarHBondContact O-CB 2.95Å; R90-H93 PolarHBondContact O-N 2.99Å; R91-H93 VanDerWaalsContact C-N 3.32Å; H93-V95 VanDerWaalsContact C-N 3.33Å
94G95.5Very high97.6Very high44 Ų4443.1 Ų43.145%0.45421%0.213SC..THydrogen-bonded Turntrans76.216.4179.600000114.6L92L92-G94 PolarHBondContact O-N 3.23Å
95V98.4Very high97.5Very high6 Ų639.9 Ų39.94%0.03620%0.196CC..  trans-63.5133.8165.3165.10000109.2T22 C24 I47 L92 H93 V97 V98 I123T22-V95 HydrophobicContact CG2-CG2 3.99Å; C24-V95 HydrophobicContact CB-CB 4.49Å; C24-V95 HydrophobicContact CB-CG1 3.65Å; C24-V95 HydrophobicContact CB-CG2 4.02Å; I47-V95 HydrophobicContact CD1-CG2 4.21Å; L92-V95 HydrophobicContact CB-CG2 4.39Å; L92-V95 WeakPolarHBondContact O-CB 3.15Å; L92-V95 WeakPolarHBondContact O-CG2 3.13Å; L92-V95 PolarHBondContact O-N 3.43Å; H93-V95 VanDerWaalsContact C-N 3.33Å; V95-V97 WeakPolarHBondContact CG1-O 3.26Å; V95-V98 HydrophobicContact CG1-CG2 3.88Å; V95-I123 HydrophobicContact CB-CG2 3.92Å; V95-I123 HydrophobicContact CG1-CG2 4.32Å
96D98.6Very high97.4Very high19 Ų1942.8 Ų42.810%0.10221%0.209CC..SBendtrans-86.9-36.9-177.7-61.7-69.2000112.3K18 M21 T22 M126 V127K18-D96 HydrophobicContact CD-CB 4.41Å; K18-D96 WeakPolarHBondContact CE-OD1 3.2Å; K18-D96 IonicContact NZ-OD1 2.65Å; K18-D96 PolarHBondContact NZ-OD1 2.75Å; M21-D96 VanDerWaalsContact CA-OD2 3.24Å; M21-D96 WeakPolarHBondContact CA-OD2 3.28Å; M21-D96 HydrophobicContact CB-CB 4.25Å; M21-D96 HydrophobicContact CG-CB 4.3Å; T22-D96 PolarHBondContact N-OD2 2.94Å; T22-D96 PolarHBondContact O-N 2.87Å; D96-M126 WeakPolarHBondContact O-CB 3.31Å; D96-M126 PolarHBondContact O-N 2.71Å; D96-V127 PolarHBondContact O-N 2.68Å
97V98.8Very high97.3Very high0 Ų043.1 Ų43.10%021%0.209CC..EExtended strand (participates in β ladder)trans-134.7133.5-179.1-173.50000110.1L13 L16 M21 T22 V23 C24 V95 T99 V127 I129L13-V97 HydrophobicContact CD2-CB 4.15Å; L13-V97 HydrophobicContact CD2-CG1 3.75Å; L13-V97 HydrophobicContact CD2-CG2 4.08Å; L16-V97 HydrophobicContact CD1-CG2 3.65Å; M21-V97 HydrophobicContact SD-CG2 4.31Å; T22-V97 PolarHBondContact O-N 3.46Å; V23-V97 CarbonylContact C-O 3.54Å; V23-V97 WeakPolarHBondContact CA-O 3.35Å; V23-V97 HydrophobicContact CG1-CB 4.18Å; V23-V97 HydrophobicContact CG1-CG1 4.43Å; V23-V97 HydrophobicContact CG2-CB 4.13Å; V23-V97 HydrophobicContact CG2-CG2 4.41Å; C24-V97 PolarHBondContact N-O 2.91Å; V95-V97 WeakPolarHBondContact CG1-O 3.26Å; V97-T99 HydrophobicContact CG1-CG2 4.42Å; V97-V127 VanDerWaalsContact CA-O 3.25Å; V97-V127 WeakPolarHBondContact CA-O 3.36Å; V97-V127 HydrophobicContact CG1-CB 4.1Å; V97-V127 HydrophobicContact CG1-CG1 4.24Å; V97-V127 HydrophobicContact CG2-CB 4.2Å; V97-I129 HydrophobicContact CG1-CD1 4.47Å
98V98.8Very high97.2Very high0 Ų045.2 Ų45.20%021%0.21CC..EExtended strand (participates in β ladder)trans-109.5132.3168.1175.70000109.4C24 F26 V95 V119 I123 P125 V127 A128 I129C24-V98 HydrophobicContact CB-CG2 4.42Å; C24-V98 CarbonylContact O-C 3.5Å; C24-V98 VanDerWaalsContact O-CA 3.3Å; C24-V98 WeakPolarHBondContact O-CA 3.46Å; F26-V98 HydrophobicContact CD1-CG1 4.34Å; F26-V98 HydrophobicContact CD2-CG1 4.1Å; F26-V98 HydrophobicContact CE2-CG1 4.36Å; F26-V98 HydrophobicContact CG-CG1 4.12Å; V95-V98 HydrophobicContact CG1-CG2 3.88Å; V98-V119 HydrophobicContact CB-CG1 4.39Å; V98-V119 HydrophobicContact CG1-CG1 4.44Å; V98-V119 HydrophobicContact CG1-CG2 4.05Å; V98-I123 HydrophobicContact CG2-CD1 4.42Å; V98-I123 HydrophobicContact CG2-CG2 3.94Å; V98-P125 HydrophobicContact CB-CG 4.18Å; V98-P125 HydrophobicContact CG2-CB 4Å; V98-P125 HydrophobicContact CG2-CG 3.86Å; V98-V127 PolarHBondContact N-O 3.03Å; V98-A128 CarbonylContact O-C 3.58Å; V98-A128 VanDerWaalsContact O-CA 3.32Å; V98-A128 WeakPolarHBondContact O-CA 3.32Å; V98-I129 PolarHBondContact O-N 3.41Å
99T98.5Very high97.1Very high0 Ų046.1 Ų46.10%022%0.219CC..EExtended strand (participates in β ladder)trans-112.4136.3169.257.10000109V9 V23 C24 D25 F26 V97 I129V9-T99 HydrophobicContact CG1-CG2 3.88Å; V23-T99 HydrophobicContact CG1-CG2 4.43Å; C24-T99 PolarHBondContact O-N 3.5Å; C24-T99 PolarHBondContact O-OG1 2.92Å; D25-T99 VanDerWaalsContact CA-OG1 3.3Å; D25-T99 WeakPolarHBondContact CA-OG1 3.47Å; D25-T99 WeakPolarHBondContact CB-OG1 3.49Å; D25-T99 PolarHBondContact OD1-OG1 3.39Å; F26-T99 WeakPolarHBondContact CB-O 3.45Å; F26-T99 PolarHBondContact N-O 2.86Å; V97-T99 HydrophobicContact CG1-CG2 4.42Å; T99-I129 CarbonylContact C-O 3.53Å; T99-I129 WeakPolarHBondContact CA-O 3.34Å; T99-I129 HydrophobicContact CG2-CB 4.24Å; T99-I129 HydrophobicContact CG2-CD1 4.14Å; T99-I129 HydrophobicContact CG2-CG1 4.44Å
100C97.9Very high97Very high0 Ų049.6 Ų49.60%024%0.238CC..EExtended strand (participates in β ladder)trans-140.886178.6-171.90000107.4F26 I129 F130 S131F26-C100 HydrophobicContact CB-CB 4.18Å; C100-I129 PolarHBondContact N-O 3.05Å; C100-F130 HydrophobicContact CB-CD1 3.57Å; C100-F130 HydrophobicContact CB-CE1 3.57Å; C100-F130 HydrophobicContact CB-CG 4.28Å; C100-F130 HydrophobicContact CB-CZ 4.28Å; C100-F130 VanDerWaalsContact O-CA 3.32Å; C100-F130 WeakPolarHBondContact O-CA 3.29Å; C100-S131 PolarHBondContact O-N 3.01Å; C100-S131 VanDerWaalsContact O-N 3.1Å
101I97.2Very high97Very high7 Ų741.2 Ų41.24%0.03621%0.211CC..EExtended strand (participates in β ladder)trans-112.8107.3-159-51-58.8000109.9M1 R5 V9 L33 I129 S131M1-I101 HydrophobicContact CE-CB 3.59Å; M1-I101 HydrophobicContact CE-CG1 4.46Å; M1-I101 HydrophobicContact CE-CG2 3.51Å; M1-I101 HydrophobicContact CG-CG2 4.29Å; M1-I101 HydrophobicContact SD-CB 4.27Å; M1-I101 HydrophobicContact SD-CG2 3.56Å; M1-I101 VanDerWaalsContact SD-CG2 3.56Å; R5-I101 HydrophobicContact CB-CG2 4.39Å; V9-I101 HydrophobicContact CG2-CD1 3.75Å; V9-I101 HydrophobicContact CG2-CG1 4.05Å; L33-I101 HydrophobicContact CD2-CG1 4.25Å; I101-I129 HydrophobicContact CD1-CB 4.34Å; I101-I129 HydrophobicContact CD1-CG2 3.85Å; I101-S131 VanDerWaalsContact CG2-OG 3.29Å; I101-S131 WeakPolarHBondContact CG2-OG 3.27Å
102E95.1Very high97Very high31 Ų3135.2 Ų35.215%0.14519%0.189CC..SBendtrans5955-174.5-50-73.311900112.2R5 E105 H106 S131 T132R5-E102 WeakPolarHBondContact CD-OE1 3.36Å; R5-E102 IonicContact CZ-OE1 2.88Å; R5-E102 IonicContact CZ-OE2 3.27Å; R5-E102 VanDerWaalsContact NE-CG 3.31Å; R5-E102 IonicContact NE-OE1 3.89Å; R5-E102 IonicContact NE-OE2 3.3Å; R5-E102 IonicContact NH1-OE1 3.16Å; R5-E102 IonicContact NH1-OE2 3.81Å; R5-E102 PolarHBondContact NH1-OE2 3.47Å; R5-E102 IonicContact NH2-OE2 2.62Å; R5-E102 PolarHBondContact NH2-OE2 3.02Å; E102-E105 VanDerWaalsContact C-CD 3.45Å; E102-E105 WeakPolarHBondContact CA-OE1 3.48Å; E102-E105 WeakPolarHBondContact CB-OE1 3.4Å; E102-H106 PolarHBondContact O-CD2 2.97Å; E102-S131 WeakPolarHBondContact CG-OG 3.27Å; E102-S131 PolarHBondContact N-O 3.4Å; E102-S131 VanDerWaalsContact N-O 3.11Å; E102-S131 PolarHBondContact N-OG 3.29Å; E102-S131 PolarHBondContact OE1-OG 3.33Å; E102-T132 PolarHBondContact OE1-N 3.17Å
103V96.6Very high96.9Very high18 Ų1838.7 Ų38.711%0.10921%0.208CC..  trans-127.5-44.7-175.6179.20000110.8F26 I85 E105 H106 M107F26-V103 WeakPolarHBondContact O-CG2 3.42Å; I85-V103 HydrophobicContact CD1-CG1 3.74Å; V103-E105 PolarHBondContact N-OE2 3.36Å; V103-E105 PolarHBondContact O-N 3.4Å; V103-H106 WeakPolarHBondContact O-CB 3.27Å; V103-H106 PolarHBondContact O-N 3.27Å; V103-M107 HydrophobicContact CG1-SD 4.24Å
104I97.4Very high97Very high0 Ų037.5 Ų37.50%020%0.201CC..G310 helixtrans-62-31.5-173.255.2164000112.6H106 M107 V112 F130 T132 F155 W157 F162 W165I104-H106 PolarHBondContact O-N 3.41Å; I104-M107 WeakPolarHBondContact O-CB 3.46Å; I104-M107 PolarHBondContact O-N 3.33Å; I104-V112 HydrophobicContact CB-CG1 4.34Å; I104-V112 HydrophobicContact CB-CG2 4.13Å; I104-V112 HydrophobicContact CG2-CG1 4.25Å; I104-F130 HydrophobicContact CG2-CD1 4.15Å; I104-F130 HydrophobicContact CG2-CE1 4.32Å; I104-T132 HydrophobicContact CD1-CG2 4.29Å; I104-F155 HydrophobicContact CB-CZ 4.27Å; I104-F155 HydrophobicContact CD1-CZ 4.48Å; I104-F155 HydrophobicContact CG1-CZ 4.34Å; I104-F155 WeakPolarHBondContact O-CE1 3.47Å; I104-F155 WeakPolarHBondContact O-CZ 3.42Å; I104-W157 HydrophobicContact CD1-CE3 4.42Å; I104-W157 HydrophobicContact CD1-CZ3 3.81Å; I104-F162 HydrophobicContact CD1-CE2 4.19Å; I104-W165 HydrophobicContact CD1-CH2 4.12Å; I104-W165 HydrophobicContact CD1-CZ3 4.27Å
105E96Very high97.2Very high1 Ų135.4 Ų35.41%0.00518%0.179CC..G310 helixtrans-65.6-17.9176.863.2-89-148.700114E102 V103 M107 T132 P133 H153 V154 F155E102-E105 VanDerWaalsContact C-CD 3.45Å; E102-E105 WeakPolarHBondContact CA-OE1 3.48Å; E102-E105 WeakPolarHBondContact CB-OE1 3.4Å; V103-E105 PolarHBondContact N-OE2 3.36Å; V103-E105 PolarHBondContact O-N 3.4Å; E105-M107 VanDerWaalsContact C-N 3.28Å; E105-T132 PolarHBondContact OE2-OG1 3.46Å; E105-T132 VanDerWaalsContact OE2-OG1 3.12Å; E105-P133 HydrophobicContact CG-CG 4.37Å; E105-P133 WeakPolarHBondContact OE1-CD 3.44Å; E105-H153 CarbonylContact O-C 3.6Å; E105-H153 WeakPolarHBondContact O-CA 3.11Å; E105-V154 PolarHBondContact O-N 3.06Å; E105-F155 HydrophobicContact CB-CE2 4.45Å; E105-F155 WeakPolarHBondContact CB-O 2.99Å
106H96Very high97.1Very high75 Ų7537.1 Ų37.135%0.34719%0.189SC..G310 helixtrans-89.45.1175.9-58.9-85.2000112.2E102 V103 I104 D152 H153E102-H106 PolarHBondContact O-CD2 2.97Å; V103-H106 WeakPolarHBondContact O-CB 3.27Å; V103-H106 PolarHBondContact O-N 3.27Å; I104-H106 PolarHBondContact O-N 3.41Å; H106-D152 IonicContact CE1-OD1 3.38Å; H106-D152 IonicContact CE1-OD2 2.65Å; H106-D152 PolarHBondContact CE1-OD2 3.35Å; H106-D152 IonicContact ND1-OD2 4Å; H106-D152 PolarHBondContact ND1-OD2 3.28Å; H106-H153 AromaticContact CE1-CD2 3.39Å; H106-H153 PolarHBondContact CE1-CD2 3.02Å; H106-H153 AromaticContact CE1-NE2 3.62Å; H106-H153 AromaticContact ND1-CD2 3.78Å; H106-H153 AromaticContact NE2-CD2 3.89Å; H106-H153 AromaticContact NE2-NE2 3.83Å
107M96.6Very high97.1Very high25 Ų2542.1 Ų42.112%0.12321%0.21CC..SBendtrans-119.4143.8-172.6-53.8179.572.200111.1I85 C86 V103 I104 E105 V112 V115 F155I85-M107 HydrophobicContact CD1-CE 4.29Å; I85-M107 HydrophobicContact CD1-SD 4Å; I85-M107 HydrophobicContact CG1-CE 4.22Å; C86-M107 WeakPolarHBondContact SG-CE 3.5Å; V103-M107 HydrophobicContact CG1-SD 4.24Å; I104-M107 WeakPolarHBondContact O-CB 3.46Å; I104-M107 PolarHBondContact O-N 3.33Å; E105-M107 VanDerWaalsContact C-N 3.28Å; M107-V112 HydrophobicContact CB-CG2 3.91Å; M107-V115 HydrophobicContact CE-CG2 3.48Å; M107-V115 VanDerWaalsContact CE-CG2 3.48Å; M107-V115 HydrophobicContact SD-CG2 3.99Å; M107-F155 WeakPolarHBondContact O-CE1 3.23Å
108E95.9Very high97.1Very high122 Ų12242.2 Ų42.257%0.5721%0.211SC*.  trans-58.4145.3165-65.5-63.8156.400110.4N110 S111 V112E108-N110 PolarHBondContact O-N 3.25Å; E108-N110 VanDerWaalsContact O-N 3.15Å; E108-S111 WeakPolarHBondContact O-CA 3.3Å; E108-S111 VanDerWaalsContact O-CB 3.28Å; E108-S111 WeakPolarHBondContact O-CB 3.45Å; E108-S111 PolarHBondContact O-N 3.36Å; E108-V112 PolarHBondContact O-N 3.5Å; E108-V112 VanDerWaalsContact O-N 3.07Å
109L95.1Very high97Very high88 Ų8842.2 Ų42.246%0.46121%0.211SC..Hα-helixtrans-55.7-38.3-176.1-66.2178000113.1S111 V112 D113 F155 W157L109-S111 PolarHBondContact O-N 2.77Å; L109-V112 WeakPolarHBondContact O-CB 3.49Å; L109-V112 PolarHBondContact O-N 2.78Å; L109-V112 VanDerWaalsContact O-N 3.14Å; L109-D113 PolarHBondContact O-N 3.07Å; L109-F155 HydrophobicContact CD2-CD1 3.87Å; L109-F155 HydrophobicContact CD2-CE1 3.87Å; L109-F155 HydrophobicContact CD2-CG 4.4Å; L109-F155 HydrophobicContact CD2-CZ 4.43Å; L109-W157 HydrophobicContact CD2-CZ2 3.69Å
110N95.6Very high97Very high124 Ų12447 Ų4766%0.66323%0.232SC*.Hα-helixtrans-62.2-27.5175.1-70.3-29.4000113.3E108 K114E108-N110 PolarHBondContact O-N 3.25Å; E108-N110 VanDerWaalsContact O-N 3.15Å; N110-K114 WeakPolarHBondContact O-CG 3.37Å
111S97.4Very high97Very high33 Ų3352 Ų5223%0.23126%0.259CS..Hα-helixtrans-81.2-36.9175.5-630000110.9E108 L109 D113 K114 V115E108-S111 WeakPolarHBondContact O-CA 3.3Å; E108-S111 VanDerWaalsContact O-CB 3.28Å; E108-S111 WeakPolarHBondContact O-CB 3.45Å; E108-S111 PolarHBondContact O-N 3.36Å; L109-S111 PolarHBondContact O-N 2.77Å; S111-D113 VanDerWaalsContact C-N 3.29Å; S111-D113 PolarHBondContact O-N 3.25Å; S111-K114 WeakPolarHBondContact O-CB 3.44Å; S111-K114 PolarHBondContact O-N 2.97Å; S111-K114 VanDerWaalsContact O-N 3.07Å; S111-V115 PolarHBondContact O-N 3.08Å
112V97.7Very high97Very high1 Ų155.9 Ų55.91%0.00628%0.276CS..Hα-helixtrans-56.8-45.1170.8-179.60000110.5I104 M107 E108 L109 K114 V115 V116 F155 W157 W165I104-V112 HydrophobicContact CB-CG1 4.34Å; I104-V112 HydrophobicContact CB-CG2 4.13Å; I104-V112 HydrophobicContact CG2-CG1 4.25Å; M107-V112 HydrophobicContact CB-CG2 3.91Å; E108-V112 PolarHBondContact O-N 3.5Å; E108-V112 VanDerWaalsContact O-N 3.07Å; L109-V112 WeakPolarHBondContact O-CB 3.49Å; L109-V112 PolarHBondContact O-N 2.78Å; L109-V112 VanDerWaalsContact O-N 3.14Å; V112-K114 PolarHBondContact O-N 2.81Å; V112-V115 WeakPolarHBondContact O-CB 3.34Å; V112-V115 PolarHBondContact O-N 2.92Å; V112-V116 WeakPolarHBondContact O-CG2 3.45Å; V112-V116 PolarHBondContact O-N 3.14Å; V112-F155 HydrophobicContact CG2-CE1 3.95Å; V112-F155 HydrophobicContact CG2-CZ 4.15Å; V112-W157 HydrophobicContact CG1-CH2 4.5Å; V112-W165 HydrophobicContact CG1-CZ2 3.59Å
113D96.7Very high97.2Very high81 Ų8154.7 Ų54.743%0.43327%0.271SS..Hα-helixtrans-59.1-34.2175.9-71.5-17.9000113.1L109 S111 K117L109-D113 PolarHBondContact O-N 3.07Å; S111-D113 VanDerWaalsContact C-N 3.29Å; S111-D113 PolarHBondContact O-N 3.25Å; D113-K117 WeakPolarHBondContact O-CG 3.35Å; D113-K117 PolarHBondContact O-N 2.89Å; D113-K117 VanDerWaalsContact O-N 3.14Å
114K98Very high97.3Very high113 Ų11360.5 Ų60.549%0.49130%0.297SS..Hα-helixtrans-70-42.9174.5-68.3173.5-173.5173.70111.2C86 N110 S111 V112 V116 K117 V118C86-K114 HydrophobicContact CB-CB 4.01Å; C86-K114 HydrophobicContact CB-CD 4.12Å; N110-K114 WeakPolarHBondContact O-CG 3.37Å; S111-K114 WeakPolarHBondContact O-CB 3.44Å; S111-K114 PolarHBondContact O-N 2.97Å; S111-K114 VanDerWaalsContact O-N 3.07Å; V112-K114 PolarHBondContact O-N 2.81Å; K114-V116 VanDerWaalsContact C-N 3.28Å; K114-V116 PolarHBondContact O-N 2.82Å; K114-K117 PolarHBondContact O-N 3.24Å; K114-V118 WeakPolarHBondContact O-CG2 3.18Å; K114-V118 PolarHBondContact O-N 2.78Å
115V98.3Very high97.3Very high0 Ų061.5 Ų61.50%030%0.304CS..Hα-helixtrans-58.5-43.5175.2174.90000110.3F26 I85 M107 S111 V112 K117 V118 V119 F130F26-V115 HydrophobicContact CD2-CG1 4.37Å; I85-V115 HydrophobicContact CB-CG2 4.46Å; I85-V115 HydrophobicContact CD1-CG1 4.3Å; I85-V115 HydrophobicContact CD1-CG2 3.77Å; I85-V115 HydrophobicContact CG1-CG2 3.79Å; M107-V115 HydrophobicContact CE-CG2 3.48Å; M107-V115 VanDerWaalsContact CE-CG2 3.48Å; M107-V115 HydrophobicContact SD-CG2 3.99Å; S111-V115 PolarHBondContact O-N 3.08Å; V112-V115 WeakPolarHBondContact O-CB 3.34Å; V112-V115 PolarHBondContact O-N 2.92Å; V115-K117 PolarHBondContact O-N 2.75Å; V115-V118 PolarHBondContact O-N 3.04Å; V115-V119 HydrophobicContact CG1-CG2 4.21Å; V115-V119 WeakPolarHBondContact O-CB 3.39Å; V115-V119 VanDerWaalsContact O-CG2 3.31Å; V115-V119 WeakPolarHBondContact O-CG2 3.41Å; V115-V119 PolarHBondContact O-N 3.27Å; V115-F130 HydrophobicContact CG1-CE1 4.29Å
116V97.4Very high97.4Very high42 Ų4266.4 Ų66.426%0.25533%0.328SS..Hα-helixtrans-56.6-49.2174.8172.70000110.7V112 K114 V118 V119 F120 W165V112-V116 WeakPolarHBondContact O-CG2 3.45Å; V112-V116 PolarHBondContact O-N 3.14Å; K114-V116 VanDerWaalsContact C-N 3.28Å; K114-V116 PolarHBondContact O-N 2.82Å; V116-V118 PolarHBondContact O-N 2.65Å; V116-V119 PolarHBondContact O-N 2.79Å; V116-F120 HydrophobicContact CB-CD2 4.41Å; V116-F120 HydrophobicContact CG1-CD2 3.77Å; V116-F120 HydrophobicContact CG1-CE2 4.33Å; V116-F120 WeakPolarHBondContact O-CB 3.42Å; V116-F120 VanDerWaalsContact O-CD2 3.31Å; V116-F120 WeakPolarHBondContact O-CD2 3.23Å; V116-F120 PolarHBondContact O-N 2.61Å; V116-W165 HydrophobicContact CG2-CH2 4.29Å; V116-W165 HydrophobicContact CG2-CZ2 3.41Å; V116-W165 VanDerWaalsContact CG2-CZ2 3.41Å
117K97.7Very high97.5Very high123 Ų12364.5 Ų64.554%0.53532%0.321SS..Hα-helixtrans-61.8-43.6176.8-70177.5-177.5174.30112.6D113 K114 V115 V119 D121 Q122D113-K117 WeakPolarHBondContact O-CG 3.35Å; D113-K117 PolarHBondContact O-N 2.89Å; D113-K117 VanDerWaalsContact O-N 3.14Å; K114-K117 PolarHBondContact O-N 3.24Å; V115-K117 PolarHBondContact O-N 2.75Å; K117-V119 VanDerWaalsContact C-N 3.32Å; K117-V119 PolarHBondContact O-N 3.34Å; K117-D121 WeakPolarHBondContact O-CA 3.21Å; K117-D121 VanDerWaalsContact O-CB 3.23Å; K117-D121 WeakPolarHBondContact O-CB 3.48Å; K117-D121 PolarHBondContact O-N 3.09Å; K117-Q122 PolarHBondContact O-N 3.09Å
118V98.4Very high97.6Very high3 Ų364.9 Ų64.92%0.01833%0.329CS..Iπ-helixtrans-58.7-46.2176.7169.30000110.5F26 Y88 K114 V115 V116 Q122 I123F26-V118 HydrophobicContact CE2-CG1 4.2Å; F26-V118 HydrophobicContact CZ-CG1 4.22Å; Y88-V118 HydrophobicContact CD2-CG1 4.36Å; K114-V118 WeakPolarHBondContact O-CG2 3.18Å; K114-V118 PolarHBondContact O-N 2.78Å; V115-V118 PolarHBondContact O-N 3.04Å; V116-V118 PolarHBondContact O-N 2.65Å; V118-Q122 WeakPolarHBondContact O-CB 3.29Å; V118-Q122 PolarHBondContact O-N 2.85Å; V118-I123 HydrophobicContact CG1-CD1 3.87Å; V118-I123 HydrophobicContact CG1-CG1 4.4Å; V118-I123 WeakPolarHBondContact O-CG1 3.23Å; V118-I123 PolarHBondContact O-N 3.2Å
119V98.5Very high97.7Very high0 Ų060.1 Ų60.10%031%0.307CS..Iπ-helixtrans-71.3-53.9-177.8174.30000111.5F26 V98 V115 V116 K117 Q124 P125 A128 F130F26-V119 HydrophobicContact CD2-CG2 4.13Å; F26-V119 HydrophobicContact CE2-CG2 3.68Å; V98-V119 HydrophobicContact CB-CG1 4.39Å; V98-V119 HydrophobicContact CG1-CG1 4.44Å; V98-V119 HydrophobicContact CG1-CG2 4.05Å; V115-V119 HydrophobicContact CG1-CG2 4.21Å; V115-V119 WeakPolarHBondContact O-CB 3.39Å; V115-V119 VanDerWaalsContact O-CG2 3.31Å; V115-V119 WeakPolarHBondContact O-CG2 3.41Å; V115-V119 PolarHBondContact O-N 3.27Å; V116-V119 PolarHBondContact O-N 2.79Å; K117-V119 VanDerWaalsContact C-N 3.32Å; K117-V119 PolarHBondContact O-N 3.34Å; V119-Q124 PolarHBondContact O-N 3.49Å; V119-P125 HydrophobicContact CG1-CG 4.07Å; V119-P125 WeakPolarHBondContact O-CD 3.4Å; V119-A128 HydrophobicContact CG1-CB 3.93Å; V119-F130 HydrophobicContact CB-CZ 4.43Å; V119-F130 HydrophobicContact CG1-CE2 4.35Å; V119-F130 HydrophobicContact CG1-CZ 4.26Å; V119-F130 HydrophobicContact CG2-CZ 4.16Å
120F98Very high97.8Very high99 Ų9957.5 Ų57.543%0.43429%0.292SS..Iπ-helixtrans-92.1-24.7-167.7-64.5-76000114.7V116 Q124 A128 F130V116-F120 HydrophobicContact CB-CD2 4.41Å; V116-F120 HydrophobicContact CG1-CD2 3.77Å; V116-F120 HydrophobicContact CG1-CE2 4.33Å; V116-F120 WeakPolarHBondContact O-CB 3.42Å; V116-F120 VanDerWaalsContact O-CD2 3.31Å; V116-F120 WeakPolarHBondContact O-CD2 3.23Å; V116-F120 PolarHBondContact O-N 2.61Å; F120-Q124 WeakPolarHBondContact O-CG 3.34Å; F120-A128 HydrophobicContact CE1-CB 3.93Å; F120-A128 HydrophobicContact CZ-CB 3.89Å; F120-F130 AromaticContact CE2-CE2 3.86Å; F120-F130 HydrophobicContact CE2-CE2 3.86Å; F120-F130 HydrophobicContact CE2-CZ 4.17Å; F120-F130 AromaticContact CZ-CE2 3.82Å; F120-F130 HydrophobicContact CZ-CE2 3.82Å
121D97.7Very high97.9Very high107 Ų10752.7 Ų52.757%0.57227%0.268SS*.Iπ-helixtrans-97.6-35.9177.5-59.1-18.8000112.1K117 Q124K117-D121 WeakPolarHBondContact O-CA 3.21Å; K117-D121 VanDerWaalsContact O-CB 3.23Å; K117-D121 WeakPolarHBondContact O-CB 3.48Å; K117-D121 PolarHBondContact O-N 3.09Å; D121-Q124 WeakPolarHBondContact O-CG 3.33Å
122Q97.6Very high97.8Very high87 Ų8752.2 Ų52.241%0.40726%0.263SS..Iπ-helixtrans-106.3-44.3-168.9-53-176.2-90.800114Y88 K117 V118Y88-Q122 VanDerWaalsContact CB-NE2 3.32Å; Y88-Q122 HydrophobicContact CD1-CB 4.19Å; Y88-Q122 HydrophobicContact CD2-CB 3.5Å; Y88-Q122 VanDerWaalsContact CD2-CB 3.5Å; Y88-Q122 HydrophobicContact CE1-CB 4.48Å; Y88-Q122 HydrophobicContact CE2-CB 3.83Å; Y88-Q122 HydrophobicContact CG-CB 3.69Å; Y88-Q122 HydrophobicContact CG-CG 4.32Å; K117-Q122 PolarHBondContact O-N 3.09Å; V118-Q122 WeakPolarHBondContact O-CB 3.29Å; V118-Q122 PolarHBondContact O-N 2.85Å
123I98.3Very high97.6Very high7 Ų752.2 Ų52.24%0.03626%0.264CS..Iπ-helixtrans-80.9-44.3176.4-64.7170.8000110.6F26 Y88 L92 V95 V98 V118 P125F26-I123 HydrophobicContact CE1-CD1 4.24Å; F26-I123 HydrophobicContact CE2-CD1 4.24Å; F26-I123 HydrophobicContact CZ-CD1 3.47Å; F26-I123 VanDerWaalsContact CZ-CD1 3.47Å; Y88-I123 HydrophobicContact CD2-CG1 3.89Å; Y88-I123 HydrophobicContact CE2-CG1 3.74Å; L92-I123 HydrophobicContact CB-CD1 4.07Å; L92-I123 HydrophobicContact CB-CG1 4.07Å; L92-I123 HydrophobicContact CD1-CD1 3.82Å; V95-I123 HydrophobicContact CB-CG2 3.92Å; V95-I123 HydrophobicContact CG1-CG2 4.32Å; V98-I123 HydrophobicContact CG2-CD1 4.42Å; V98-I123 HydrophobicContact CG2-CG2 3.94Å; V118-I123 HydrophobicContact CG1-CD1 3.87Å; V118-I123 HydrophobicContact CG1-CG1 4.4Å; V118-I123 WeakPolarHBondContact O-CG1 3.23Å; V118-I123 PolarHBondContact O-N 3.2Å; I123-P125 HydrophobicContact CG2-CB 4.42Å
124Q98.3Very high97.5Very high140 Ų14050 Ų5065%0.65425%0.252SS*.  trans52.555.9-179.2-52.8-168.9-58.300112.9V119 F120 D121V119-Q124 PolarHBondContact O-N 3.49Å; F120-Q124 WeakPolarHBondContact O-CG 3.34Å; D121-Q124 WeakPolarHBondContact O-CG 3.33Å
125P98.5Very high97.4Very high21 Ų2146 Ų4614%0.13624%0.239CC..  trans-67.6156.9179.533.9-36.7000110.5V98 V119 I123 V127 A128V98-P125 HydrophobicContact CB-CG 4.18Å; V98-P125 HydrophobicContact CG2-CB 4Å; V98-P125 HydrophobicContact CG2-CG 3.86Å; V119-P125 HydrophobicContact CG1-CG 4.07Å; V119-P125 WeakPolarHBondContact O-CD 3.4Å; I123-P125 HydrophobicContact CG2-CB 4.42Å; P125-V127 WeakPolarHBondContact CB-O 3.24Å; P125-V127 PolarHBondContact O-N 2.98Å; P125-A128 HydrophobicContact CG-CB 4.21Å
126M97.9Very high97.1Very high103 Ų10349.9 Ų49.951%0.50726%0.258SS..SBendtrans-64.6-33.6171.7179.2-172.869.600111.3L16 K18 M21 D96L16-M126 HydrophobicContact CD1-CE 4.23Å; L16-M126 HydrophobicContact CD2-CE 4.49Å; K18-M126 HydrophobicContact CB-CE 4.23Å; K18-M126 HydrophobicContact CD-CE 4.27Å; K18-M126 HydrophobicContact CD-SD 4.19Å; M21-M126 HydrophobicContact SD-CE 4.49Å; D96-M126 WeakPolarHBondContact O-CB 3.31Å; D96-M126 PolarHBondContact O-N 2.71Å
127V98.3Very high96.9Very high36 Ų3652.4 Ų52.422%0.21827%0.269CS..EExtended strand (participates in β ladder)trans-137.2135.71781790000109.4L16 D96 V97 V98 P125 I129L16-V127 HydrophobicContact CD1-CG2 4.13Å; L16-V127 HydrophobicContact CD2-CG2 4.01Å; D96-V127 PolarHBondContact O-N 2.68Å; V97-V127 VanDerWaalsContact CA-O 3.25Å; V97-V127 WeakPolarHBondContact CA-O 3.36Å; V97-V127 HydrophobicContact CG1-CB 4.1Å; V97-V127 HydrophobicContact CG1-CG1 4.24Å; V97-V127 HydrophobicContact CG2-CB 4.2Å; V98-V127 PolarHBondContact N-O 3.03Å; P125-V127 WeakPolarHBondContact CB-O 3.24Å; P125-V127 PolarHBondContact O-N 2.98Å; V127-I129 HydrophobicContact CG1-CD1 4.48Å; V127-I129 HydrophobicContact CG1-CG1 3.95Å
128A98.4Very high96.6Very high33 Ų3347 Ų4727%0.27325%0.247SC..EExtended strand (participates in β ladder)trans-121.2132.8167.300000109.4V98 V119 F120 P125 F130V98-A128 CarbonylContact O-C 3.58Å; V98-A128 VanDerWaalsContact O-CA 3.32Å; V98-A128 WeakPolarHBondContact O-CA 3.32Å; V119-A128 HydrophobicContact CG1-CB 3.93Å; F120-A128 HydrophobicContact CE1-CB 3.93Å; F120-A128 HydrophobicContact CZ-CB 3.89Å; P125-A128 HydrophobicContact CG-CB 4.21Å; A128-F130 HydrophobicContact CB-CD2 4.3Å; A128-F130 HydrophobicContact CB-CE2 3.78Å
129I98.3Very high96.3Very high21 Ų2152.3 Ų52.311%0.10828%0.279CS..EExtended strand (participates in β ladder)trans-119.1117-179.3-50178.6000108.1V9 I12 V97 V98 T99 C100 I101 V127V9-I129 HydrophobicContact CG1-CD1 4.41Å; V9-I129 HydrophobicContact CG2-CG2 4.43Å; I12-I129 HydrophobicContact CB-CD1 4.12Å; I12-I129 HydrophobicContact CD1-CD1 4.28Å; I12-I129 HydrophobicContact CD1-CG2 4.48Å; I12-I129 HydrophobicContact CG2-CD1 3.67Å; V97-I129 HydrophobicContact CG1-CD1 4.47Å; V98-I129 PolarHBondContact O-N 3.41Å; T99-I129 CarbonylContact C-O 3.53Å; T99-I129 WeakPolarHBondContact CA-O 3.34Å; T99-I129 HydrophobicContact CG2-CB 4.24Å; T99-I129 HydrophobicContact CG2-CD1 4.14Å; T99-I129 HydrophobicContact CG2-CG1 4.44Å; C100-I129 PolarHBondContact N-O 3.05Å; I101-I129 HydrophobicContact CD1-CB 4.34Å; I101-I129 HydrophobicContact CD1-CG2 3.85Å; V127-I129 HydrophobicContact CG1-CD1 4.48Å; V127-I129 HydrophobicContact CG1-CG1 3.95Å
130F97.8Very high95.9Very high33 Ų3356.3 Ų56.315%0.14531%0.311CS..EExtended strand (participates in β ladder)trans-114.5144.6176.2-71.2-98.3000110.4C100 I104 V115 V119 F120 A128 F162 W165C100-F130 HydrophobicContact CB-CD1 3.57Å; C100-F130 HydrophobicContact CB-CE1 3.57Å; C100-F130 HydrophobicContact CB-CG 4.28Å; C100-F130 HydrophobicContact CB-CZ 4.28Å; C100-F130 VanDerWaalsContact O-CA 3.32Å; C100-F130 WeakPolarHBondContact O-CA 3.29Å; I104-F130 HydrophobicContact CG2-CD1 4.15Å; I104-F130 HydrophobicContact CG2-CE1 4.32Å; V115-F130 HydrophobicContact CG1-CE1 4.29Å; V119-F130 HydrophobicContact CB-CZ 4.43Å; V119-F130 HydrophobicContact CG1-CE2 4.35Å; V119-F130 HydrophobicContact CG1-CZ 4.26Å; V119-F130 HydrophobicContact CG2-CZ 4.16Å; F120-F130 AromaticContact CE2-CE2 3.86Å; F120-F130 HydrophobicContact CE2-CE2 3.86Å; F120-F130 HydrophobicContact CE2-CZ 4.17Å; F120-F130 AromaticContact CZ-CE2 3.82Å; F120-F130 HydrophobicContact CZ-CE2 3.82Å; A128-F130 HydrophobicContact CB-CD2 4.3Å; A128-F130 HydrophobicContact CB-CE2 3.78Å; F130-F162 HydrophobicContact CB-CZ 4.33Å; F130-W165 HydrophobicContact CD1-CH2 4Å; F130-W165 HydrophobicContact CE1-CH2 4.28Å; F130-W165 HydrophobicContact CG-CH2 4.28Å
131S96.6Very high95.4Very high24 Ų2458 Ų5817%0.16832%0.319CS..EExtended strand (participates in β ladder)trans-136.6152.4165.886.30000111.4C100 I101 E102C100-S131 PolarHBondContact O-N 3.01Å; C100-S131 VanDerWaalsContact O-N 3.1Å; I101-S131 VanDerWaalsContact CG2-OG 3.29Å; I101-S131 WeakPolarHBondContact CG2-OG 3.27Å; E102-S131 WeakPolarHBondContact CG-OG 3.27Å; E102-S131 PolarHBondContact N-O 3.4Å; E102-S131 VanDerWaalsContact N-O 3.11Å; E102-S131 PolarHBondContact N-OG 3.29Å; E102-S131 PolarHBondContact OE1-OG 3.33Å
132T95.6Very high95.1Very high22 Ų2256.2 Ų56.214%0.13533%0.325CS..  trans-155.3155173.8-167.50000109.5E102 I104 E105 N134 W157 F162E102-T132 PolarHBondContact OE1-N 3.17Å; I104-T132 HydrophobicContact CD1-CG2 4.29Å; E105-T132 PolarHBondContact OE2-OG1 3.46Å; E105-T132 VanDerWaalsContact OE2-OG1 3.12Å; T132-N134 PolarHBondContact O-N 3.06Å; T132-W157 HydrophobicContact CG2-CE3 4.36Å; T132-F162 HydrophobicContact CG2-CD2 3.62Å; T132-F162 HydrophobicContact CG2-CE2 3.85Å; T132-F162 HydrophobicContact CG2-CG 4.16Å
133P94.2Very high94.7Very high2 Ų254.2 Ų54.21%0.01332%0.317CS..  trans-53.4127.6171.7-33.339000114.3E105 A135 R149 E156E105-P133 HydrophobicContact CG-CG 4.37Å; E105-P133 WeakPolarHBondContact OE1-CD 3.44Å; P133-A135 PolarHBondContact O-N 3.28Å; P133-R149 VanDerWaalsContact CB-NH1 3.34Å; P133-E156 HydrophobicContact CB-CG 4.08Å
134N94.7Very high94.2Very high34 Ų3460.9 Ų60.918%0.18235%0.348CS..BIsolated β-bridgetrans-78.3107.8165.5177.75.5000111.4T132 E136 L137 R149 W157 R159T132-N134 PolarHBondContact O-N 3.06Å; N134-E136 PolarHBondContact O-N 3.05Å; N134-E136 VanDerWaalsContact O-N 3.14Å; N134-E136 WeakPolarHBondContact OD1-CB 3.32Å; N134-E136 PolarHBondContact OD1-N 3.38Å; N134-E136 PolarHBondContact OD1-OE2 2.61Å; N134-L137 HydrophobicContact CB-CD1 4.35Å; N134-L137 PolarHBondContact O-N 3.22Å; N134-R149 PolarHBondContact O-NH2 3.17Å; N134-W157 WeakPolarHBondContact CA-O 3.28Å; N134-R159 WeakPolarHBondContact ND2-CG 3.27Å
135A94Very high93.4Very high28 Ų2859.4 Ų59.423%0.23136%0.36CS..G310 helixtrans-56.8-29.4-179.400000114P133 L137 N138 E156 W157P133-A135 PolarHBondContact O-N 3.28Å; A135-L137 PolarHBondContact O-N 2.95Å; A135-N138 VanDerWaalsContact O-CB 3.27Å; A135-N138 WeakPolarHBondContact O-CB 3.35Å; A135-N138 PolarHBondContact O-N 2.87Å; A135-E156 HydrophobicContact CB-CB 3.94Å; A135-W157 PolarHBondContact N-O 2.83Å
136E93.1Very high92.6Very high82 Ų8262 Ų6238%0.38339%0.39SS..G310 helixtrans-63.9-23.6178.6-60.816995.400112.4N134 T158 R159N134-E136 PolarHBondContact O-N 3.05Å; N134-E136 VanDerWaalsContact O-N 3.14Å; N134-E136 WeakPolarHBondContact OD1-CB 3.32Å; N134-E136 PolarHBondContact OD1-N 3.38Å; N134-E136 PolarHBondContact OD1-OE2 2.61Å; E136-T158 HydrophobicContact CG-CG2 4.01Å; E136-R159 IonicContact OE1-CZ 3.65Å; E136-R159 IonicContact OE1-NE 3.61Å; E136-R159 IonicContact OE1-NH2 2.82Å; E136-R159 PolarHBondContact OE1-NH2 3.37Å; E136-R159 WeakPolarHBondContact OE2-CB 3.11Å; E136-R159 VanDerWaalsContact OE2-CG 3.29Å; E136-R159 WeakPolarHBondContact OE2-CG 3.45Å; E136-R159 IonicContact OE2-CZ 3.54Å; E136-R159 PolarHBondContact OE2-N 3.24Å; E136-R159 VanDerWaalsContact OE2-N 3.09Å; E136-R159 IonicContact OE2-NE 2.73Å; E136-R159 PolarHBondContact OE2-NE 3.35Å; E136-R159 IonicContact OE2-NH2 3.47Å; E136-R159 PolarHBondContact OE2-NH2 3.03Å
137L93Very high92.1Very high95 Ų9561.3 Ų61.350%0.49739%0.386SS..G310 helixtrans-87.7-2.8177.8-68.2176.8000113.3N134 A135 V139 A140 F141N134-L137 HydrophobicContact CB-CD1 4.35Å; N134-L137 PolarHBondContact O-N 3.22Å; A135-L137 PolarHBondContact O-N 2.95Å; L137-V139 PolarHBondContact O-N 2.91Å; L137-A140 VanDerWaalsContact O-CB 3.28Å; L137-A140 WeakPolarHBondContact O-CB 3.34Å; L137-A140 PolarHBondContact O-N 3.44Å; L137-F141 VanDerWaalsContact O-CD2 3.31Å; L137-F141 WeakPolarHBondContact O-CD2 3.44Å
138N92.1Very high91.7Very high11 Ų1163.5 Ų63.56%0.05939%0.393CS..G310 helixtrans-62.9-29.9-178.8-72.33.9000112.9A135 A140 F141 G142 L143 Q147 R149 E156A135-N138 VanDerWaalsContact O-CB 3.27Å; A135-N138 WeakPolarHBondContact O-CB 3.35Å; A135-N138 PolarHBondContact O-N 2.87Å; N138-A140 PolarHBondContact O-N 3.1Å; N138-F141 WeakPolarHBondContact O-CA 3.41Å; N138-F141 WeakPolarHBondContact O-CB 3.34Å; N138-F141 PolarHBondContact O-N 3.24Å; N138-G142 PolarHBondContact O-N 2.72Å; N138-L143 HydrophobicContact CB-CB 4.1Å; N138-L143 HydrophobicContact CB-CD1 3.98Å; N138-L143 WeakPolarHBondContact O-CB 3.3Å; N138-L143 PolarHBondContact O-N 3.33Å; N138-Q147 PolarHBondContact ND2-O 3.25Å; N138-R149 PolarHBondContact OD1-NE 3.32Å; N138-R149 PolarHBondContact OD1-NH2 2.95Å; N138-E156 VanDerWaalsContact CG-OE2 3.32Å; N138-E156 PolarHBondContact ND2-OE2 2.94Å; N138-E156 PolarHBondContact OD1-OE2 3.49Å
139V90.8Very high91.3Very high114 Ų11464.7 Ų64.769%0.69139%0.39SS*.G310 helixtrans-57.4-32.5173.366.90000112.3L137 F141 G142L137-V139 PolarHBondContact O-N 2.91Å; V139-F141 PolarHBondContact O-N 3.27Å; V139-G142 PolarHBondContact O-N 3.44Å; V139-G142 VanDerWaalsContact O-N 3.07Å
140A90.7Very high90.8Very high83 Ų8368.9 Ų68.969%0.68641%0.409SS*.G310 helixtrans-69.6-17.6177.300000112.7L137 N138L137-A140 VanDerWaalsContact O-CB 3.28Å; L137-A140 WeakPolarHBondContact O-CB 3.34Å; L137-A140 PolarHBondContact O-N 3.44Å; N138-A140 PolarHBondContact O-N 3.1Å
141F88.7Confident90.4Very high135 Ų13573.5 Ų73.559%0.59245%0.445SS*.G310 helixtrans-96.77.3174.2-60.2-87.8000112.5L137 N138 V139 L143L137-F141 VanDerWaalsContact O-CD2 3.31Å; L137-F141 WeakPolarHBondContact O-CD2 3.44Å; N138-F141 WeakPolarHBondContact O-CA 3.41Å; N138-F141 WeakPolarHBondContact O-CB 3.34Å; N138-F141 PolarHBondContact O-N 3.24Å; V139-F141 PolarHBondContact O-N 3.27Å; F141-L143 HydrophobicContact CB-CD1 4.16Å; F141-L143 HydrophobicContact CB-CG 4.16Å; F141-L143 PolarHBondContact O-N 2.95Å
142G90.5Very high90.2Very high69 Ų6976.8 Ų76.871%0.71146%0.461SS*.THydrogen-bonded Turntrans73.714.5-179.200000114.3N138 V139N138-G142 PolarHBondContact O-N 2.72Å; V139-G142 PolarHBondContact O-N 3.44Å; V139-G142 VanDerWaalsContact O-N 3.07Å
143L89.3Confident90.1Very high45 Ų4576.3 Ų76.324%0.23646%0.457CS..PPolyproline II helixtrans-80.5140.3179.1-62.7171.8000110.6N138 F141 Q147 R149N138-L143 HydrophobicContact CB-CB 4.1Å; N138-L143 HydrophobicContact CB-CD1 3.98Å; N138-L143 WeakPolarHBondContact O-CB 3.3Å; N138-L143 PolarHBondContact O-N 3.33Å; F141-L143 HydrophobicContact CB-CD1 4.16Å; F141-L143 HydrophobicContact CB-CG 4.16Å; F141-L143 PolarHBondContact O-N 2.95Å; L143-Q147 HydrophobicContact CB-CB 4.12Å; L143-Q147 HydrophobicContact CD2-CB 4.3Å; L143-R149 HydrophobicContact CD1-CG 4.01Å
144Q86.7Confident90.1Very high147 Ų14779 Ų7969%0.68747%0.473SS*.PPolyproline II helixtrans-73.5161.2173.2-62.1-174.6-4.900111G146 Q147Q144-G146 PolarHBondContact O-N 3.2Å; Q144-Q147 HydrophobicContact CB-CG 4.2Å; Q144-Q147 WeakPolarHBondContact O-CB 3.49Å; Q144-Q147 PolarHBondContact O-N 3.22Å
145A82Confident90.1Very high110 Ų11078.2 Ų78.291%0.90947%0.468SS*.THydrogen-bonded Turntrans-55.5129.5174.900000110.8Q147A145-Q147 VanDerWaalsContact C-N 3.34Å
146G81.6Confident90Very high74 Ų7477.6 Ų77.676%0.76346%0.461SS*.THydrogen-bonded Turntrans84.7-1.8-177.500000115.2Q144Q144-G146 PolarHBondContact O-N 3.2Å
147Q87.9Confident90.1Very high89 Ų8975.1 Ų75.142%0.41645%0.448SS..  trans-86.7140.7170.4-66.2-173.1-44.400111.3N138 L143 Q144 A145N138-Q147 PolarHBondContact ND2-O 3.25Å; L143-Q147 HydrophobicContact CB-CB 4.12Å; L143-Q147 HydrophobicContact CD2-CB 4.3Å; Q144-Q147 HydrophobicContact CB-CG 4.2Å; Q144-Q147 WeakPolarHBondContact O-CB 3.49Å; Q144-Q147 PolarHBondContact O-N 3.22Å; A145-Q147 VanDerWaalsContact C-N 3.34Å
148F90.5Very high90.3Very high82 Ų8272.5 Ų72.536%0.3644%0.436SS..  trans-94155.9174.8-57.3-28.8000111.2H150 H153 E156F148-H150 VanDerWaalsContact C-N 3.3Å; F148-H150 WeakPolarHBondContact CB-O 3.35Å; F148-H153 HydrophobicContact CB-CB 4.08Å; F148-H153 HydrophobicContact CD2-CB 3.96Å; F148-H153 VanDerWaalsContact CD2-O 3.3Å; F148-H153 WeakPolarHBondContact CD2-O 3.48Å; F148-H153 WeakPolarHBondContact CE2-O 3.38Å; F148-H153 HydrophobicContact CG-CB 4.19Å; F148-E156 WeakPolarHBondContact CA-OE1 3.33Å; F148-E156 HydrophobicContact CB-CG 4.36Å; F148-E156 WeakPolarHBondContact CB-OE1 3.38Å; F148-E156 HydrophobicContact CD1-CB 4.12Å; F148-E156 HydrophobicContact CD1-CG 3.83Å; F148-E156 HydrophobicContact CE1-CB 4.38Å; F148-E156 HydrophobicContact CE1-CG 4.45Å; F148-E156 HydrophobicContact CG-CG 4.23Å
149R89.4Confident90.5Very high58 Ų5879.9 Ų79.922%0.21946%0.463CS..SBendtrans-64.9-35.2176.4-65.3-179-170.8165.42.2112.4P133 N134 N138 L143 E156P133-R149 VanDerWaalsContact CB-NH1 3.34Å; N134-R149 PolarHBondContact O-NH2 3.17Å; N138-R149 PolarHBondContact OD1-NE 3.32Å; N138-R149 PolarHBondContact OD1-NH2 2.95Å; L143-R149 HydrophobicContact CD1-CG 4.01Å; R149-E156 WeakPolarHBondContact CB-OE1 3.44Å; R149-E156 PolarHBondContact N-OE1 3.42Å
150H88.5Confident90.8Very high110 Ų11081.2 Ų81.251%0.50946%0.461SS..SBendtrans-130.5146.7175.1-59.2-62000110.4F148 D152 H153F148-H150 VanDerWaalsContact C-N 3.3Å; F148-H150 WeakPolarHBondContact CB-O 3.35Å; H150-D152 WeakPolarHBondContact CB-OD1 3.35Å; H150-D152 PolarHBondContact O-N 3.35Å; H150-H153 AromaticContact CD2-CE1 3.62Å; H150-H153 AromaticContact CD2-NE2 3.44Å; H150-H153 PolarHBondContact CD2-NE2 3.3Å; H150-H153 AromaticContact CG-NE2 3.88Å; H150-H153 PolarHBondContact O-N 3.04Å
151S89Confident91.1Very high129 Ų12981.7 Ų81.790%0.90245%0.449SS*.THydrogen-bonded Turntrans-71.4-16.5-174.252.30000113.8
152D91.7Very high91.5Very high94 Ų9478.6 Ų78.650%0.50344%0.436SS..THydrogen-bonded Turntrans-95.20.4179.263.5-42.2000113.1H106 H150H106-D152 IonicContact CE1-OD1 3.38Å; H106-D152 IonicContact CE1-OD2 2.65Å; H106-D152 PolarHBondContact CE1-OD2 3.35Å; H106-D152 IonicContact ND1-OD2 4Å; H106-D152 PolarHBondContact ND1-OD2 3.28Å; H150-D152 WeakPolarHBondContact CB-OD1 3.35Å; H150-D152 PolarHBondContact O-N 3.35Å
153H93.4Very high91.8Very high12 Ų1279.8 Ų79.86%0.05643%0.434CS..  trans-70.6135.4169-65.4178000110.3E105 H106 F148 H150 E156E105-H153 CarbonylContact O-C 3.6Å; E105-H153 WeakPolarHBondContact O-CA 3.11Å; H106-H153 AromaticContact CE1-CD2 3.39Å; H106-H153 PolarHBondContact CE1-CD2 3.02Å; H106-H153 AromaticContact CE1-NE2 3.62Å; H106-H153 AromaticContact ND1-CD2 3.78Å; H106-H153 AromaticContact NE2-CD2 3.89Å; H106-H153 AromaticContact NE2-NE2 3.83Å; F148-H153 HydrophobicContact CB-CB 4.08Å; F148-H153 HydrophobicContact CD2-CB 3.96Å; F148-H153 VanDerWaalsContact CD2-O 3.3Å; F148-H153 WeakPolarHBondContact CD2-O 3.48Å; F148-H153 WeakPolarHBondContact CE2-O 3.38Å; F148-H153 HydrophobicContact CG-CB 4.19Å; H150-H153 AromaticContact CD2-CE1 3.62Å; H150-H153 AromaticContact CD2-NE2 3.44Å; H150-H153 PolarHBondContact CD2-NE2 3.3Å; H150-H153 AromaticContact CG-NE2 3.88Å; H150-H153 PolarHBondContact O-N 3.04Å; H153-E156 HydrophobicContact CB-CG 4.48Å; H153-E156 IonicContact CE1-OE1 3.73Å; H153-E156 PolarHBondContact CE1-OE1 3.33Å; H153-E156 IonicContact CG-OE1 2.78Å; H153-E156 IonicContact ND1-OE1 2.66Å; H153-E156 PolarHBondContact ND1-OE1 3.11Å
154V93.8Very high92.1Very high57 Ų5783.7 Ų83.735%0.34546%0.455SS..SBendtrans-89-31.4174.2-175.50000110.4E105E105-V154 PolarHBondContact O-N 3.06Å
155F94.7Very high92.5Very high19 Ų1982.1 Ų82.18%0.08344%0.442CS..  trans-150161.1173.765.3-92.5000111.4I104 E105 M107 L109 V112 W157I104-F155 HydrophobicContact CB-CZ 4.27Å; I104-F155 HydrophobicContact CD1-CZ 4.48Å; I104-F155 HydrophobicContact CG1-CZ 4.34Å; I104-F155 WeakPolarHBondContact O-CE1 3.47Å; I104-F155 WeakPolarHBondContact O-CZ 3.42Å; E105-F155 HydrophobicContact CB-CE2 4.45Å; E105-F155 WeakPolarHBondContact CB-O 2.99Å; M107-F155 WeakPolarHBondContact O-CE1 3.23Å; L109-F155 HydrophobicContact CD2-CD1 3.87Å; L109-F155 HydrophobicContact CD2-CE1 3.87Å; L109-F155 HydrophobicContact CD2-CG 4.4Å; L109-F155 HydrophobicContact CD2-CZ 4.43Å; V112-F155 HydrophobicContact CG2-CE1 3.95Å; V112-F155 HydrophobicContact CG2-CZ 4.15Å; F155-W157 AromaticContact CD2-CD1 3.8Å; F155-W157 AromaticContact CD2-CD2 3.72Å; F155-W157 HydrophobicContact CD2-CD2 3.72Å; F155-W157 AromaticContact CD2-CE2 3.62Å; F155-W157 HydrophobicContact CD2-CE3 4.32Å; F155-W157 AromaticContact CD2-CG 3.87Å; F155-W157 HydrophobicContact CD2-CG 3.87Å; F155-W157 HydrophobicContact CD2-CZ2 4.21Å; F155-W157 AromaticContact CD2-NE1 3.63Å; F155-W157 AromaticContact CE2-CD2 3.45Å; F155-W157 HydrophobicContact CE2-CD2 3.45Å; F155-W157 VanDerWaalsContact CE2-CD2 3.45Å; F155-W157 AromaticContact CE2-CE2 3.49Å; F155-W157 VanDerWaalsContact CE2-CE2 3.49Å; F155-W157 AromaticContact CE2-CE3 3.6Å; F155-W157 HydrophobicContact CE2-CE3 3.6Å; F155-W157 HydrophobicContact CE2-CG 4.05Å; F155-W157 AromaticContact CE2-CH2 3.93Å; F155-W157 HydrophobicContact CE2-CH2 3.93Å; F155-W157 AromaticContact CE2-CZ2 3.75Å; F155-W157 HydrophobicContact CE2-CZ2 3.75Å; F155-W157 AromaticContact CE2-CZ3 3.85Å; F155-W157 HydrophobicContact CE2-CZ3 3.85Å; F155-W157 HydrophobicContact CZ-CD2 4.42Å; F155-W157 HydrophobicContact CZ-CE3 4.38Å; F155-W157 AromaticContact CZ-CH2 3.97Å; F155-W157 HydrophobicContact CZ-CH2 3.97Å; F155-W157 AromaticContact CZ-CZ2 3.97Å; F155-W157 HydrophobicContact CZ-CZ2 3.97Å; F155-W157 HydrophobicContact CZ-CZ3 4.18Å
156E93.5Very high93Very high14 Ų1480.7 Ų80.77%0.06542%0.419CS..  trans-136.1127.5161.5-67.1-169.5-170.300108.6P133 A135 N138 F148 R149 H153P133-E156 HydrophobicContact CB-CG 4.08Å; A135-E156 HydrophobicContact CB-CB 3.94Å; N138-E156 VanDerWaalsContact CG-OE2 3.32Å; N138-E156 PolarHBondContact ND2-OE2 2.94Å; N138-E156 PolarHBondContact OD1-OE2 3.49Å; F148-E156 WeakPolarHBondContact CA-OE1 3.33Å; F148-E156 HydrophobicContact CB-CG 4.36Å; F148-E156 WeakPolarHBondContact CB-OE1 3.38Å; F148-E156 HydrophobicContact CD1-CB 4.12Å; F148-E156 HydrophobicContact CD1-CG 3.83Å; F148-E156 HydrophobicContact CE1-CB 4.38Å; F148-E156 HydrophobicContact CE1-CG 4.45Å; F148-E156 HydrophobicContact CG-CG 4.23Å; R149-E156 WeakPolarHBondContact CB-OE1 3.44Å; R149-E156 PolarHBondContact N-OE1 3.42Å; H153-E156 HydrophobicContact CB-CG 4.48Å; H153-E156 IonicContact CE1-OE1 3.73Å; H153-E156 PolarHBondContact CE1-OE1 3.33Å; H153-E156 IonicContact CG-OE1 2.78Å; H153-E156 IonicContact ND1-OE1 2.66Å; H153-E156 PolarHBondContact ND1-OE1 3.11Å
157W95.3Very high93.6Very high31 Ų3181.1 Ų81.112%0.11740%0.401CS..BIsolated β-bridgetrans-93.6147-174.8-75.6-29000112.3I104 L109 V112 T132 N134 A135 F155 Q161 F162 W165I104-W157 HydrophobicContact CD1-CE3 4.42Å; I104-W157 HydrophobicContact CD1-CZ3 3.81Å; L109-W157 HydrophobicContact CD2-CZ2 3.69Å; V112-W157 HydrophobicContact CG1-CH2 4.5Å; T132-W157 HydrophobicContact CG2-CE3 4.36Å; N134-W157 WeakPolarHBondContact CA-O 3.28Å; A135-W157 PolarHBondContact N-O 2.83Å; F155-W157 AromaticContact CD2-CD1 3.8Å; F155-W157 AromaticContact CD2-CD2 3.72Å; F155-W157 HydrophobicContact CD2-CD2 3.72Å; F155-W157 AromaticContact CD2-CE2 3.62Å; F155-W157 HydrophobicContact CD2-CE3 4.32Å; F155-W157 AromaticContact CD2-CG 3.87Å; F155-W157 HydrophobicContact CD2-CG 3.87Å; F155-W157 HydrophobicContact CD2-CZ2 4.21Å; F155-W157 AromaticContact CD2-NE1 3.63Å; F155-W157 AromaticContact CE2-CD2 3.45Å; F155-W157 HydrophobicContact CE2-CD2 3.45Å; F155-W157 VanDerWaalsContact CE2-CD2 3.45Å; F155-W157 AromaticContact CE2-CE2 3.49Å; F155-W157 VanDerWaalsContact CE2-CE2 3.49Å; F155-W157 AromaticContact CE2-CE3 3.6Å; F155-W157 HydrophobicContact CE2-CE3 3.6Å; F155-W157 HydrophobicContact CE2-CG 4.05Å; F155-W157 AromaticContact CE2-CH2 3.93Å; F155-W157 HydrophobicContact CE2-CH2 3.93Å; F155-W157 AromaticContact CE2-CZ2 3.75Å; F155-W157 HydrophobicContact CE2-CZ2 3.75Å; F155-W157 AromaticContact CE2-CZ3 3.85Å; F155-W157 HydrophobicContact CE2-CZ3 3.85Å; F155-W157 HydrophobicContact CZ-CD2 4.42Å; F155-W157 HydrophobicContact CZ-CE3 4.38Å; F155-W157 AromaticContact CZ-CH2 3.97Å; F155-W157 HydrophobicContact CZ-CH2 3.97Å; F155-W157 AromaticContact CZ-CZ2 3.97Å; F155-W157 HydrophobicContact CZ-CZ2 3.97Å; F155-W157 HydrophobicContact CZ-CZ3 4.18Å; W157-Q161 HydrophobicContact CB-CB 3.76Å; W157-Q161 HydrophobicContact CG-CB 3.8Å; W157-F162 HydrophobicContact CB-CB 4.25Å; W157-F162 HydrophobicContact CE3-CB 4.26Å; W157-F162 AromaticContact CE3-CD2 3.75Å; W157-F162 HydrophobicContact CE3-CD2 3.75Å; W157-F162 HydrophobicContact CZ3-CD2 4.02Å; W157-W165 HydrophobicContact CH2-CB 4.18Å; W157-W165 AromaticContact CH2-CD1 3.71Å; W157-W165 AromaticContact CH2-CD2 3.78Å; W157-W165 HydrophobicContact CH2-CD2 3.78Å; W157-W165 AromaticContact CH2-CE2 3.95Å; W157-W165 HydrophobicContact CH2-CE3 4.47Å; W157-W165 AromaticContact CH2-CG 3.62Å; W157-W165 HydrophobicContact CH2-CG 3.62Å; W157-W165 AromaticContact CH2-NE1 3.9Å; W157-W165 HydrophobicContact CZ2-CG 4.49Å; W157-W165 HydrophobicContact CZ3-CB 4.21Å; W157-W165 AromaticContact CZ3-CD2 3.67Å; W157-W165 HydrophobicContact CZ3-CD2 3.67Å; W157-W165 AromaticContact CZ3-CE3 3.9Å; W157-W165 HydrophobicContact CZ3-CE3 3.9Å; W157-W165 AromaticContact CZ3-CG 3.82Å; W157-W165 HydrophobicContact CZ3-CG 3.82Å
158T95.7Very high93.9Very high40 Ų4080.6 Ų80.625%0.24540%0.4CS..  trans-69.6166.8162.268.90000110.2E136 E160 Q161 F162E136-T158 HydrophobicContact CG-CG2 4.01Å; T158-E160 PolarHBondContact O-N 3.19Å; T158-E160 PolarHBondContact OG1-N 3.2Å; T158-Q161 PolarHBondContact O-N 3.19Å; T158-Q161 WeakPolarHBondContact OG1-CG 3.47Å; T158-Q161 PolarHBondContact OG1-N 3.42Å; T158-Q161 VanDerWaalsContact OG1-N 3.15Å; T158-F162 PolarHBondContact O-N 3.39Å
159R97Very high94.1Very high166 Ų16680.5 Ų80.563%0.62640%0.403SS*.Hα-helixtrans-55-39.3171.6-74.2172.5-66.3164.14.2112.7N134 E136 S163N134-R159 WeakPolarHBondContact ND2-CG 3.27Å; E136-R159 IonicContact OE1-CZ 3.65Å; E136-R159 IonicContact OE1-NE 3.61Å; E136-R159 IonicContact OE1-NH2 2.82Å; E136-R159 PolarHBondContact OE1-NH2 3.37Å; E136-R159 WeakPolarHBondContact OE2-CB 3.11Å; E136-R159 VanDerWaalsContact OE2-CG 3.29Å; E136-R159 WeakPolarHBondContact OE2-CG 3.45Å; E136-R159 IonicContact OE2-CZ 3.54Å; E136-R159 PolarHBondContact OE2-N 3.24Å; E136-R159 VanDerWaalsContact OE2-N 3.09Å; E136-R159 IonicContact OE2-NE 2.73Å; E136-R159 PolarHBondContact OE2-NE 3.35Å; E136-R159 IonicContact OE2-NH2 3.47Å; E136-R159 PolarHBondContact OE2-NH2 3.03Å; R159-S163 VanDerWaalsContact O-CB 3.22Å; R159-S163 WeakPolarHBondContact O-CB 3.41Å; R159-S163 PolarHBondContact O-N 2.86Å
160E97.8Very high94.4Very high141 Ų14181.9 Ų81.966%0.65941%0.414SS*.Hα-helixtrans-65.7-46178.8-177.9178.2-167.400111.3T158 S163 N164T158-E160 PolarHBondContact O-N 3.19Å; T158-E160 PolarHBondContact OG1-N 3.2Å; E160-S163 PolarHBondContact O-N 3.28Å; E160-N164 WeakPolarHBondContact O-CB 3.35Å; E160-N164 PolarHBondContact O-N 3.22Å; E160-N164 PolarHBondContact O-ND2 3.48Å
161Q96.8Very high94.8Very high93 Ų9380.1 Ų80.144%0.43541%0.408SS..Hα-helixtrans-62.2-46178.2-72.8172.2-41.100111.9W157 T158 S163 N164 W165W157-Q161 HydrophobicContact CB-CB 3.76Å; W157-Q161 HydrophobicContact CG-CB 3.8Å; T158-Q161 PolarHBondContact O-N 3.19Å; T158-Q161 WeakPolarHBondContact OG1-CG 3.47Å; T158-Q161 PolarHBondContact OG1-N 3.42Å; T158-Q161 VanDerWaalsContact OG1-N 3.15Å; Q161-S163 VanDerWaalsContact C-N 3.34Å; Q161-S163 PolarHBondContact O-N 3.18Å; Q161-N164 PolarHBondContact O-N 3.34Å; Q161-W165 PolarHBondContact O-N 3.31Å; Q161-W165 VanDerWaalsContact O-N 3.16Å
162F97Very high95.2Very high70 Ų7076.6 Ų76.631%0.30737%0.372SS..Hα-helixtrans-68.4-30.8178.2-177.3-110.8000113.1I104 F130 T132 W157 T158 W165I104-F162 HydrophobicContact CD1-CE2 4.19Å; F130-F162 HydrophobicContact CB-CZ 4.33Å; T132-F162 HydrophobicContact CG2-CD2 3.62Å; T132-F162 HydrophobicContact CG2-CE2 3.85Å; T132-F162 HydrophobicContact CG2-CG 4.16Å; W157-F162 HydrophobicContact CB-CB 4.25Å; W157-F162 HydrophobicContact CE3-CB 4.26Å; W157-F162 AromaticContact CE3-CD2 3.75Å; W157-F162 HydrophobicContact CE3-CD2 3.75Å; W157-F162 HydrophobicContact CZ3-CD2 4.02Å; T158-F162 PolarHBondContact O-N 3.39Å; F162-W165 AromaticContact CD2-CE3 3.94Å; F162-W165 HydrophobicContact CD2-CE3 3.94Å; F162-W165 HydrophobicContact CD2-CZ3 4.22Å; F162-W165 AromaticContact CE2-CE3 3.82Å; F162-W165 HydrophobicContact CE2-CE3 3.82Å; F162-W165 AromaticContact CE2-CZ3 3.63Å; F162-W165 HydrophobicContact CE2-CZ3 3.63Å; F162-W165 HydrophobicContact CZ-CZ3 4.37Å
163S96.6Very high95.5Very high95 Ų9575.2 Ų75.266%0.66436%0.362SS*.Hα-helixtrans-78.4-25.5177-175.50000113.5R159 E160 Q161R159-S163 VanDerWaalsContact O-CB 3.22Å; R159-S163 WeakPolarHBondContact O-CB 3.41Å; R159-S163 PolarHBondContact O-N 2.86Å; E160-S163 PolarHBondContact O-N 3.28Å; Q161-S163 VanDerWaalsContact C-N 3.34Å; Q161-S163 PolarHBondContact O-N 3.18Å
164N96.1Very high95.7Very high127 Ų12780.5 Ų80.568%0.67939%0.388SS*.Hα-helixtrans-80.6-29.6176.9-75.3-22.2000112.2E160 Q161E160-N164 WeakPolarHBondContact O-CB 3.35Å; E160-N164 PolarHBondContact O-N 3.22Å; E160-N164 PolarHBondContact O-ND2 3.48Å; Q161-N164 PolarHBondContact O-N 3.34Å
165W94Very high95.9Very high113 Ų11382.6 Ų82.643%0.42839%0.392SS..  trans-71.90170.2174.578.8000110.7I104 V112 V116 F130 W157 Q161 F162I104-W165 HydrophobicContact CD1-CH2 4.12Å; I104-W165 HydrophobicContact CD1-CZ3 4.27Å; V112-W165 HydrophobicContact CG1-CZ2 3.59Å; V116-W165 HydrophobicContact CG2-CH2 4.29Å; V116-W165 HydrophobicContact CG2-CZ2 3.41Å; V116-W165 VanDerWaalsContact CG2-CZ2 3.41Å; F130-W165 HydrophobicContact CD1-CH2 4Å; F130-W165 HydrophobicContact CE1-CH2 4.28Å; F130-W165 HydrophobicContact CG-CH2 4.28Å; W157-W165 HydrophobicContact CH2-CB 4.18Å; W157-W165 AromaticContact CH2-CD1 3.71Å; W157-W165 AromaticContact CH2-CD2 3.78Å; W157-W165 HydrophobicContact CH2-CD2 3.78Å; W157-W165 AromaticContact CH2-CE2 3.95Å; W157-W165 HydrophobicContact CH2-CE3 4.47Å; W157-W165 AromaticContact CH2-CG 3.62Å; W157-W165 HydrophobicContact CH2-CG 3.62Å; W157-W165 AromaticContact CH2-NE1 3.9Å; W157-W165 HydrophobicContact CZ2-CG 4.49Å; W157-W165 HydrophobicContact CZ3-CB 4.21Å; W157-W165 AromaticContact CZ3-CD2 3.67Å; W157-W165 HydrophobicContact CZ3-CD2 3.67Å; W157-W165 AromaticContact CZ3-CE3 3.9Å; W157-W165 HydrophobicContact CZ3-CE3 3.9Å; W157-W165 AromaticContact CZ3-CG 3.82Å; W157-W165 HydrophobicContact CZ3-CG 3.82Å; Q161-W165 PolarHBondContact O-N 3.31Å; Q161-W165 VanDerWaalsContact O-N 3.16Å; F162-W165 AromaticContact CD2-CE3 3.94Å; F162-W165 HydrophobicContact CD2-CE3 3.94Å; F162-W165 HydrophobicContact CD2-CZ3 4.22Å; F162-W165 AromaticContact CE2-CE3 3.82Å; F162-W165 HydrophobicContact CE2-CE3 3.82Å; F162-W165 AromaticContact CE2-CZ3 3.63Å; F162-W165 HydrophobicContact CE2-CZ3 3.63Å; F162-W165 HydrophobicContact CZ-CZ3 4.37Å

Retrieved 165 of 165 residues in 57 ms (Link to these results)

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