A0A077YVP1_TRITR Loading...

28S ribosomal protein S14, mitochondrial

AlphaFold DB , UniProt , Accession A0A077YVP1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 116 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
1M37Very low44.6Very low217 Ų217125.5 Ų125.5100%1.06964%0.641SS**  096.20-162.4170.6-171.700107.6R3M1-R3 PolarHBondContact O-N 2.65Å; M1-R3 VanDerWaalsContact O-N 3.14Å
2V39.6Very low44.1Very low124 Ų124133.4 Ų133.475%0.75266%0.657SS**  trans-77.1102.2-178.8-177.90000107.5L4V2-L4 HydrophobicContact CG1-CD2 4.22Å; V2-L4 HydrophobicContact CG1-CG 4.08Å; V2-L4 PolarHBondContact O-N 3.1Å
3R37.4Very low44.1Very low214 Ų214130.5 Ų130.581%0.80864%0.64SS**  trans-61.198.5168.9-117.9-179.1159.1131.1-1.3107.9M1 D5M1-R3 PolarHBondContact O-N 2.65Å; M1-R3 VanDerWaalsContact O-N 3.14Å; R3-D5 WeakPolarHBondContact CD-OD2 3.35Å; R3-D5 WeakPolarHBondContact CG-OD2 3.5Å; R3-D5 IonicContact NE-OD2 3.43Å; R3-D5 PolarHBondContact NE-OD2 2.99Å; R3-D5 VanDerWaalsContact NE-OD2 3.13Å; R3-D5 PolarHBondContact O-N 3.27Å
4L43.4Very low44.3Very low79 Ų79132.6 Ų132.641%0.41467%0.665SS.*  trans-85.744.4177.3-78166000110.2V2 W6 W7V2-L4 HydrophobicContact CG1-CD2 4.22Å; V2-L4 HydrophobicContact CG1-CG 4.08Å; V2-L4 PolarHBondContact O-N 3.1Å; L4-W6 VanDerWaalsContact O-CD1 3.24Å; L4-W6 PolarHBondContact O-N 3.16Å; L4-W7 HydrophobicContact CB-CH2 3.46Å; L4-W7 VanDerWaalsContact CB-CH2 3.46Å; L4-W7 HydrophobicContact CB-CZ2 4.4Å; L4-W7 HydrophobicContact CB-CZ3 3.62Å; L4-W7 VanDerWaalsContact O-CD2 3.32Å; L4-W7 VanDerWaalsContact O-CE2 3.31Å; L4-W7 WeakPolarHBondContact O-CH2 3.49Å; L4-W7 WeakPolarHBondContact O-CZ2 3.29Å; L4-W7 WeakPolarHBondContact O-CZ3 3.45Å
5D49.5Very low45.3Very low67 Ų67129.5 Ų129.536%0.35866%0.661SS.*G310 helixtrans-74.917.7-174.8-68.9-22.2000114.4R3 W7 N8R3-D5 WeakPolarHBondContact CD-OD2 3.35Å; R3-D5 WeakPolarHBondContact CG-OD2 3.5Å; R3-D5 IonicContact NE-OD2 3.43Å; R3-D5 PolarHBondContact NE-OD2 2.99Å; R3-D5 VanDerWaalsContact NE-OD2 3.13Å; R3-D5 PolarHBondContact O-N 3.27Å; D5-W7 PolarHBondContact O-N 3.06Å; D5-W7 VanDerWaalsContact O-N 3.08Å; D5-N8 WeakPolarHBondContact O-CB 3.46Å; D5-N8 PolarHBondContact O-N 3.33Å; D5-N8 VanDerWaalsContact O-N 3.08Å
6W47.7Very low47.3Very low113 Ų113126.5 Ų126.543%0.42864%0.639SS.*G310 helixtrans-69.2-6.7-177.368.6-81.7000114.2L4L4-W6 VanDerWaalsContact O-CD1 3.24Å; L4-W6 PolarHBondContact O-N 3.16Å
7W49.6Very low49.4Very low81 Ų81122.5 Ų122.531%0.30763%0.629SS.*G310 helixtrans-91.6-7.7172.35270000114L4 D5 C9 A32L4-W7 HydrophobicContact CB-CH2 3.46Å; L4-W7 VanDerWaalsContact CB-CH2 3.46Å; L4-W7 HydrophobicContact CB-CZ2 4.4Å; L4-W7 HydrophobicContact CB-CZ3 3.62Å; L4-W7 VanDerWaalsContact O-CD2 3.32Å; L4-W7 VanDerWaalsContact O-CE2 3.31Å; L4-W7 WeakPolarHBondContact O-CH2 3.49Å; L4-W7 WeakPolarHBondContact O-CZ2 3.29Å; L4-W7 WeakPolarHBondContact O-CZ3 3.45Å; D5-W7 PolarHBondContact O-N 3.06Å; D5-W7 VanDerWaalsContact O-N 3.08Å; W7-C9 PolarHBondContact O-N 3.2Å; W7-A32 HydrophobicContact CZ2-CB 4.07Å
8N52.3Low51.5Low112 Ų112122.4 Ų122.460%0.59962%0.624SS**SBendtrans-76-11.2179.9-73-20.5000112.8D5D5-N8 WeakPolarHBondContact O-CB 3.46Å; D5-N8 PolarHBondContact O-N 3.33Å; D5-N8 VanDerWaalsContact O-N 3.08Å
9C47.4Very low53.5Low113 Ų113126.9 Ų126.976%0.76463%0.632SS**SBendtrans-112.191-177.9-51.60000110.7W7W7-C9 PolarHBondContact O-N 3.2Å
10G40.9Very low55.3Low60 Ų60121.6 Ų121.662%0.61961%0.611SS**  trans99.4115.1159.200000115.1R12G10-R12 PolarHBondContact O-N 3.31Å
11Q45.3Very low56.9Low201 Ų201116.1 Ų116.194%0.93958%0.584SS**  trans-58.771.4151.3-64.4179.3-10.200109.5
12R39.1Very low59.4Low220 Ų220106.9 Ų106.983%0.8354%0.539SS*.  trans-80.9135.1156.9-76.9-174.1179.4-176.50.9106.1G10G10-R12 PolarHBondContact O-N 3.31Å
13H44.7Very low61.9Low95 Ų95106.9 Ų106.944%0.4453%0.525SS..  trans97.175.2-171.6-62-94.8000114.4S15H13-S15 WeakPolarHBondContact CB-O 3.35Å; H13-S15 PolarHBondContact ND1-O 3.39Å; H13-S15 PolarHBondContact O-N 3.06Å
14T46.9Very low64.5Low160 Ų16097 Ų9798%0.98249%0.488SS*.SBendtrans-60.9-3.9149.943.40000112.5
15S59.4Low66.7Low86 Ų8698.2 Ų98.260%0.60149%0.487SS*.SBendtrans-143.7115164.458.80000112.5H13H13-S15 WeakPolarHBondContact CB-O 3.35Å; H13-S15 PolarHBondContact ND1-O 3.39Å; H13-S15 PolarHBondContact O-N 3.06Å
16W76.5Confident68.7Low82 Ų82102.3 Ų102.331%0.31150%0.498SS..  trans-69.8133.6164.6-61.295.8000108.6K18 M21 L22 W25W16-K18 PolarHBondContact O-N 2.84Å; W16-K18 VanDerWaalsContact O-N 3.17Å; W16-M21 HydrophobicContact CB-CB 4.45Å; W16-M21 HydrophobicContact CD2-CB 4.29Å; W16-M21 HydrophobicContact CE3-CB 3.54Å; W16-M21 HydrophobicContact CE3-CE 4.12Å; W16-M21 HydrophobicContact CZ3-CB 4.19Å; W16-L22 HydrophobicContact CD2-CB 4.2Å; W16-L22 HydrophobicContact CG-CB 3.99Å; W16-L22 HydrophobicContact CZ2-CD1 4.25Å; W16-W25 HydrophobicContact CH2-CB 3.5Å; W16-W25 AromaticContact CH2-CD1 3.72Å; W16-W25 HydrophobicContact CH2-CD2 4.2Å; W16-W25 AromaticContact CH2-CG 3.51Å; W16-W25 HydrophobicContact CH2-CG 3.51Å; W16-W25 HydrophobicContact CZ2-CB 3.95Å; W16-W25 AromaticContact CZ2-CD2 3.98Å; W16-W25 HydrophobicContact CZ2-CD2 3.98Å; W16-W25 HydrophobicContact CZ2-CE3 4.35Å; W16-W25 AromaticContact CZ2-CG 3.77Å; W16-W25 HydrophobicContact CZ2-CG 3.77Å; W16-W25 HydrophobicContact CZ3-CB 4.16Å
17A82.4Confident70.9Confident58 Ų5899.6 Ų99.648%0.47949%0.488SS..SBendtrans-60.7-30.2177.600000112.6M21 M80A17-M21 HydrophobicContact CB-SD 3.81Å; A17-M80 WeakPolarHBondContact CB-O 3.24Å
18K87.3Confident73Confident122 Ų12298 Ų9853%0.5348%0.481SS..SBendtrans-144.3147.5175.6-61-173.1180-170.80110.7W16 G20 M21W16-K18 PolarHBondContact O-N 2.84Å; W16-K18 VanDerWaalsContact O-N 3.17Å; K18-G20 PolarHBondContact O-N 3.02Å; K18-M21 WeakPolarHBondContact O-CB 3.39Å; K18-M21 PolarHBondContact O-N 3.46Å
19W89.9Confident74.9Confident207 Ų20797.9 Ų97.978%0.78448%0.476SS*.Hα-helixtrans-54-25.3168.7-63.4115.4000114M21 L22 R23W19-M21 VanDerWaalsContact C-N 3.27Å; W19-M21 PolarHBondContact O-N 2.91Å; W19-L22 HydrophobicContact CE3-CD2 3.83Å; W19-L22 HydrophobicContact CZ3-CD2 3.87Å; W19-L22 PolarHBondContact O-N 3.1Å; W19-R23 PolarHBondContact O-N 3.44Å
20G89.5Confident77.1Confident21 Ų2194.4 Ų94.422%0.21645%0.449CS..Hα-helixtrans-60.5-33.9172.900000113.6K18 D24K18-G20 PolarHBondContact O-N 3.02Å; G20-D24 PolarHBondContact O-N 3.37Å
21M89.4Confident79.7Confident7 Ų792.5 Ų92.53%0.03443%0.426CS..Hα-helixtrans-72.2-44.8177.7-63.5171.87000111W16 A17 K18 W19 R23 D24 W25 Q79 G82W16-M21 HydrophobicContact CB-CB 4.45Å; W16-M21 HydrophobicContact CD2-CB 4.29Å; W16-M21 HydrophobicContact CE3-CB 3.54Å; W16-M21 HydrophobicContact CE3-CE 4.12Å; W16-M21 HydrophobicContact CZ3-CB 4.19Å; A17-M21 HydrophobicContact CB-SD 3.81Å; K18-M21 WeakPolarHBondContact O-CB 3.39Å; K18-M21 PolarHBondContact O-N 3.46Å; W19-M21 VanDerWaalsContact C-N 3.27Å; W19-M21 PolarHBondContact O-N 2.91Å; M21-R23 VanDerWaalsContact C-N 3.26Å; M21-R23 PolarHBondContact O-N 3.32Å; M21-D24 PolarHBondContact O-N 3.46Å; M21-D24 VanDerWaalsContact O-N 3.09Å; M21-W25 WeakPolarHBondContact O-CB 3.34Å; M21-W25 PolarHBondContact O-N 2.95Å; M21-Q79 WeakPolarHBondContact CE-O 3.43Å; M21-G82 WeakPolarHBondContact SD-CA 3.13Å
22L88.8Confident82.1Confident22 Ų2285 Ų8512%0.11540%0.398CS..Hα-helixtrans-56.3-42.6173.8177.262.6000111.3W16 W19 W25 R26W16-L22 HydrophobicContact CD2-CB 4.2Å; W16-L22 HydrophobicContact CG-CB 3.99Å; W16-L22 HydrophobicContact CZ2-CD1 4.25Å; W19-L22 HydrophobicContact CE3-CD2 3.83Å; W19-L22 HydrophobicContact CZ3-CD2 3.87Å; W19-L22 PolarHBondContact O-N 3.1Å; L22-W25 HydrophobicContact CD1-CE3 3.86Å; L22-W25 HydrophobicContact CD1-CZ3 4.19Å; L22-W25 PolarHBondContact O-N 3.3Å; L22-R26 WeakPolarHBondContact O-CG 3.19Å; L22-R26 PolarHBondContact O-N 3.02Å
23R91.6Very high84.7Confident125 Ų12580.4 Ų80.447%0.47239%0.386SS..Hα-helixtrans-61.9-45.7174.5-75.3-170.8-70.9-174.6-7.5112.5W19 M21 R26 R27W19-R23 PolarHBondContact O-N 3.44Å; M21-R23 VanDerWaalsContact C-N 3.26Å; M21-R23 PolarHBondContact O-N 3.32Å; R23-R26 PolarHBondContact O-N 3.03Å; R23-R27 WeakPolarHBondContact O-CG 3.42Å; R23-R27 PolarHBondContact O-N 3.19Å; R23-R27 VanDerWaalsContact O-N 3.15Å
24D92.1Very high87.2Confident6 Ų679.2 Ų79.23%0.03238%0.378CS..Hα-helixtrans-65.1-40.2178.5-164.670.3000111.6G20 M21 R27 R28 K75G20-D24 PolarHBondContact O-N 3.37Å; M21-D24 PolarHBondContact O-N 3.46Å; M21-D24 VanDerWaalsContact O-N 3.09Å; D24-R27 WeakPolarHBondContact O-CB 3.44Å; D24-R27 PolarHBondContact O-N 3.18Å; D24-R28 WeakPolarHBondContact O-CG 3.37Å; D24-R28 PolarHBondContact O-N 3.47Å; D24-R28 IonicContact OD2-CZ 2.76Å; D24-R28 VanDerWaalsContact OD2-CZ 3.32Å; D24-R28 IonicContact OD2-NE 3.22Å; D24-R28 PolarHBondContact OD2-NE 3.04Å; D24-R28 IonicContact OD2-NH2 3.13Å; D24-R28 PolarHBondContact OD2-NH2 3.44Å; D24-K75 PolarHBondContact OD1-N 3.29Å
25W89.9Confident89.4Confident104 Ų10473.6 Ų73.639%0.39435%0.345SS..Hα-helixtrans-59.5-47.9174.7170.783.1000112.3W16 M21 L22 R27 R28 K29W16-W25 HydrophobicContact CH2-CB 3.5Å; W16-W25 AromaticContact CH2-CD1 3.72Å; W16-W25 HydrophobicContact CH2-CD2 4.2Å; W16-W25 AromaticContact CH2-CG 3.51Å; W16-W25 HydrophobicContact CH2-CG 3.51Å; W16-W25 HydrophobicContact CZ2-CB 3.95Å; W16-W25 AromaticContact CZ2-CD2 3.98Å; W16-W25 HydrophobicContact CZ2-CD2 3.98Å; W16-W25 HydrophobicContact CZ2-CE3 4.35Å; W16-W25 AromaticContact CZ2-CG 3.77Å; W16-W25 HydrophobicContact CZ2-CG 3.77Å; W16-W25 HydrophobicContact CZ3-CB 4.16Å; M21-W25 WeakPolarHBondContact O-CB 3.34Å; M21-W25 PolarHBondContact O-N 2.95Å; L22-W25 HydrophobicContact CD1-CE3 3.86Å; L22-W25 HydrophobicContact CD1-CZ3 4.19Å; L22-W25 PolarHBondContact O-N 3.3Å; W25-R27 VanDerWaalsContact C-N 3.26Å; W25-R27 PolarHBondContact O-N 3.49Å; W25-R28 PolarHBondContact O-N 3.43Å; W25-R28 VanDerWaalsContact O-N 3.15Å; W25-K29 HydrophobicContact CZ2-CD 4.48Å; W25-K29 PolarHBondContact O-N 3.32Å
26R91.3Very high91.2Very high154 Ų15473.3 Ų73.358%0.58134%0.337SS*.Hα-helixtrans-57.3-40.8175.3-71.5179.4-173.7174.1-0.4111.6L22 R23 K29 L30L22-R26 WeakPolarHBondContact O-CG 3.19Å; L22-R26 PolarHBondContact O-N 3.02Å; R23-R26 PolarHBondContact O-N 3.03Å; R26-K29 PolarHBondContact O-N 3.03Å; R26-L30 PolarHBondContact O-N 3.07Å; R26-L30 VanDerWaalsContact O-N 3.07Å
27R93.9Very high92.1Very high56 Ų5672.8 Ų72.821%0.21134%0.34CS..Hα-helixtrans-65.8-43.1176.4-66175.9-170.6146.53112.1R23 D24 W25 K29 L30 V31 H68 L74R23-R27 WeakPolarHBondContact O-CG 3.42Å; R23-R27 PolarHBondContact O-N 3.19Å; R23-R27 VanDerWaalsContact O-N 3.15Å; D24-R27 WeakPolarHBondContact O-CB 3.44Å; D24-R27 PolarHBondContact O-N 3.18Å; W25-R27 VanDerWaalsContact C-N 3.26Å; W25-R27 PolarHBondContact O-N 3.49Å; R27-K29 VanDerWaalsContact C-N 3.31Å; R27-K29 PolarHBondContact O-N 3.46Å; R27-L30 PolarHBondContact O-N 3.32Å; R27-V31 VanDerWaalsContact O-CG2 3.25Å; R27-V31 WeakPolarHBondContact O-CG2 3.15Å; R27-V31 PolarHBondContact O-N 2.6Å; R27-H68 HydrophobicContact CG-CB 4.12Å; R27-L74 HydrophobicContact CB-CD2 3.79Å
28R93.7Very high92.7Very high47 Ų4771 Ų7118%0.17732%0.321CS..Hα-helixtrans-59.8-42.5176.7-70.2174.4-172.3-108.1-3.5111.7D24 W25 L30 V31 A32 L74 K75D24-R28 WeakPolarHBondContact O-CG 3.37Å; D24-R28 PolarHBondContact O-N 3.47Å; D24-R28 IonicContact OD2-CZ 2.76Å; D24-R28 VanDerWaalsContact OD2-CZ 3.32Å; D24-R28 IonicContact OD2-NE 3.22Å; D24-R28 PolarHBondContact OD2-NE 3.04Å; D24-R28 IonicContact OD2-NH2 3.13Å; D24-R28 PolarHBondContact OD2-NH2 3.44Å; W25-R28 PolarHBondContact O-N 3.43Å; W25-R28 VanDerWaalsContact O-N 3.15Å; R28-L30 PolarHBondContact O-N 3.46Å; R28-V31 PolarHBondContact O-N 2.86Å; R28-A32 WeakPolarHBondContact O-CB 3Å; R28-A32 PolarHBondContact O-N 2.94Å; R28-L74 HydrophobicContact CB-CD2 4.39Å; R28-L74 HydrophobicContact CG-CD1 4.33Å; R28-L74 HydrophobicContact CG-CD2 3.61Å; R28-K75 PolarHBondContact NH2-O 3.39Å; R28-K75 VanDerWaalsContact NH2-O 3.14Å
29K92.9Very high93.1Very high110 Ų11069.6 Ų69.648%0.47832%0.322SS..Hα-helixtrans-59.7-46.1174.6-172.2177-179.4179.40111.4W25 R26 R27 A32 Q33W25-K29 HydrophobicContact CZ2-CD 4.48Å; W25-K29 PolarHBondContact O-N 3.32Å; R26-K29 PolarHBondContact O-N 3.03Å; R27-K29 VanDerWaalsContact C-N 3.31Å; R27-K29 PolarHBondContact O-N 3.46Å; K29-A32 PolarHBondContact O-N 3.35Å; K29-Q33 WeakPolarHBondContact O-CG 3.17Å; K29-Q33 PolarHBondContact O-N 2.73Å
30L94.3Very high93.4Very high40 Ų4068 Ų6821%0.20932%0.316CS..Hα-helixtrans-64.5-43.5177.6-170.667.3000112.1R26 R27 R28 A32 Q33 Y34 P66 H68R26-L30 PolarHBondContact O-N 3.07Å; R26-L30 VanDerWaalsContact O-N 3.07Å; R27-L30 PolarHBondContact O-N 3.32Å; R28-L30 PolarHBondContact O-N 3.46Å; L30-A32 VanDerWaalsContact C-N 3.3Å; L30-A32 PolarHBondContact O-N 3.44Å; L30-Q33 PolarHBondContact O-N 3.15Å; L30-Y34 HydrophobicContact CD1-CD2 3.68Å; L30-Y34 HydrophobicContact CD1-CE2 3.45Å; L30-Y34 VanDerWaalsContact CD1-CE2 3.45Å; L30-Y34 HydrophobicContact CG-CD2 4.12Å; L30-Y34 HydrophobicContact CG-CE2 4.35Å; L30-Y34 WeakPolarHBondContact O-CD2 3.31Å; L30-Y34 PolarHBondContact O-N 3.19Å; L30-Y34 VanDerWaalsContact O-N 3.09Å; L30-P66 HydrophobicContact CD2-CB 4.1Å; L30-H68 HydrophobicContact CD2-CB 3.82Å
31V95.5Very high93.7Very high20 Ų2068 Ų6812%0.12131%0.311CS..Hα-helixtrans-60.8-41.11761720000110.8R27 R28 Q33 Y34 S35 S69 P71 L74R27-V31 VanDerWaalsContact O-CG2 3.25Å; R27-V31 WeakPolarHBondContact O-CG2 3.15Å; R27-V31 PolarHBondContact O-N 2.6Å; R28-V31 PolarHBondContact O-N 2.86Å; V31-Q33 VanDerWaalsContact C-N 3.34Å; V31-Y34 PolarHBondContact O-N 3.31Å; V31-S35 WeakPolarHBondContact O-CA 3.14Å; V31-S35 VanDerWaalsContact O-CB 3.32Å; V31-S35 WeakPolarHBondContact O-CB 3.37Å; V31-S35 PolarHBondContact O-N 3.02Å; V31-S69 WeakPolarHBondContact CG2-O 3.48Å; V31-P71 HydrophobicContact CG1-CB 4.35Å; V31-L74 HydrophobicContact CB-CD1 4.38Å; V31-L74 HydrophobicContact CG1-CD1 4.2Å; V31-L74 HydrophobicContact CG2-CD1 4.15Å; V31-L74 HydrophobicContact CG2-CD2 4Å; V31-L74 HydrophobicContact CG2-CG 4.09Å
32A94.3Very high94.1Very high43 Ų4370.8 Ų70.836%0.35532%0.323SS..Hα-helixtrans-65.5-35.3176.500000112.7W7 R28 K29 L30 S35W7-A32 HydrophobicContact CZ2-CB 4.07Å; R28-A32 WeakPolarHBondContact O-CB 3Å; R28-A32 PolarHBondContact O-N 2.94Å; K29-A32 PolarHBondContact O-N 3.35Å; L30-A32 VanDerWaalsContact C-N 3.3Å; L30-A32 PolarHBondContact O-N 3.44Å; A32-S35 PolarHBondContact O-OG 3.42Å
33Q94.9Very high94.4Very high123 Ų12372.1 Ų72.158%0.57534%0.337SS*.Hα-helixtrans-67.6-39.3175.9-73172.8-10.400112.6K29 L30 V31K29-Q33 WeakPolarHBondContact O-CG 3.17Å; K29-Q33 PolarHBondContact O-N 2.73Å; L30-Q33 PolarHBondContact O-N 3.15Å; V31-Q33 VanDerWaalsContact C-N 3.34Å
34Y95.9Very high94.7Very high70 Ų7068.8 Ų68.828%0.27533%0.328SS..Hα-helixtrans-101.92.9-173.5-73.8-87.4000114L30 V31 D36 L37 R38 L65 P66L30-Y34 HydrophobicContact CD1-CD2 3.68Å; L30-Y34 HydrophobicContact CD1-CE2 3.45Å; L30-Y34 VanDerWaalsContact CD1-CE2 3.45Å; L30-Y34 HydrophobicContact CG-CD2 4.12Å; L30-Y34 HydrophobicContact CG-CE2 4.35Å; L30-Y34 WeakPolarHBondContact O-CD2 3.31Å; L30-Y34 PolarHBondContact O-N 3.19Å; L30-Y34 VanDerWaalsContact O-N 3.09Å; V31-Y34 PolarHBondContact O-N 3.31Å; Y34-D36 VanDerWaalsContact C-N 3.34Å; Y34-D36 PolarHBondContact O-N 2.92Å; Y34-L37 HydrophobicContact CD1-CD2 4.1Å; Y34-L37 HydrophobicContact CE1-CD2 4.47Å; Y34-R38 WeakPolarHBondContact O-CB 3.32Å; Y34-R38 VanDerWaalsContact O-CG 3.31Å; Y34-R38 WeakPolarHBondContact O-CG 3.37Å; Y34-R38 PolarHBondContact O-N 3.4Å; Y34-L65 HydrophobicContact CD1-CD2 4Å; Y34-L65 HydrophobicContact CE1-CD2 3.99Å; Y34-P66 HydrophobicContact CE2-CG 4.18Å
35S94.5Very high94.8Very high42 Ų4269 Ų6929%0.29433%0.33SS..Hα-helixtrans-58.4-46.2-172.7560000112.3V31 A32 T39V31-S35 WeakPolarHBondContact O-CA 3.14Å; V31-S35 VanDerWaalsContact O-CB 3.32Å; V31-S35 WeakPolarHBondContact O-CB 3.37Å; V31-S35 PolarHBondContact O-N 3.02Å; A32-S35 PolarHBondContact O-OG 3.42Å; S35-T39 WeakPolarHBondContact O-CB 3.38Å; S35-T39 PolarHBondContact O-N 3.46Å; S35-T39 PolarHBondContact O-OG1 3.5Å
36D95.8Very high95.1Very high80 Ų8071.8 Ų71.843%0.42835%0.345SS..Hα-helixtrans-73.3-44.6-172.9-64-6000110.5Y34 R38 T39 R40Y34-D36 VanDerWaalsContact C-N 3.34Å; Y34-D36 PolarHBondContact O-N 2.92Å; D36-R38 PolarHBondContact O-N 2.92Å; D36-T39 PolarHBondContact O-N 3.32Å; D36-R40 WeakPolarHBondContact O-CG 3.36Å; D36-R40 PolarHBondContact O-N 3.43Å
37L95.5Very high95.3Very high71 Ų7167.8 Ų67.837%0.37234%0.335SS..Hα-helixtrans-58.3-49.4175.6-174.766.5000111.2Y34 T39 R40 M41 L65Y34-L37 HydrophobicContact CD1-CD2 4.1Å; Y34-L37 HydrophobicContact CE1-CD2 4.47Å; L37-T39 VanDerWaalsContact C-N 3.29Å; L37-T39 PolarHBondContact O-N 3.1Å; L37-R40 PolarHBondContact O-N 3.17Å; L37-M41 HydrophobicContact CD1-CE 3.79Å; L37-M41 HydrophobicContact CD1-SD 4.36Å; L37-M41 HydrophobicContact CD2-CE 4.12Å; L37-M41 HydrophobicContact CD2-SD 4.49Å; L37-M41 HydrophobicContact CG-CE 3.85Å; L37-M41 HydrophobicContact CG-SD 3.95Å; L37-M41 WeakPolarHBondContact O-CG 3.26Å; L37-M41 PolarHBondContact O-N 3.28Å; L37-L65 HydrophobicContact CD2-CD1 4.45Å; L37-L65 HydrophobicContact CD2-CD2 3.88Å
38R96Very high95.3Very high22 Ų2272.2 Ų72.28%0.08336%0.363CS..Hα-helixtrans-62.2-37.4178.1-73.3-175.175.971.33.1112.1Y34 D36 K42 L62 L65 S69 D70Y34-R38 WeakPolarHBondContact O-CB 3.32Å; Y34-R38 VanDerWaalsContact O-CG 3.31Å; Y34-R38 WeakPolarHBondContact O-CG 3.37Å; Y34-R38 PolarHBondContact O-N 3.4Å; D36-R38 PolarHBondContact O-N 2.92Å; R38-K42 VanDerWaalsContact O-CB 3.24Å; R38-K42 WeakPolarHBondContact O-CB 3.45Å; R38-K42 VanDerWaalsContact O-CG 3.26Å; R38-K42 WeakPolarHBondContact O-CG 3.47Å; R38-K42 PolarHBondContact O-N 3.15Å; R38-L62 HydrophobicContact CB-CD1 4.43Å; R38-L62 HydrophobicContact CG-CD1 4.25Å; R38-L62 PolarHBondContact NH1-O 2.88Å; R38-L65 HydrophobicContact CG-CD1 3.49Å; R38-L65 VanDerWaalsContact CG-CD1 3.49Å; R38-S69 WeakPolarHBondContact CD-O 2.89Å; R38-S69 PolarHBondContact NH1-OG 2.91Å; R38-D70 IonicContact CZ-OD2 3.32Å; R38-D70 IonicContact NE-OD2 2.98Å; R38-D70 IonicContact NH2-OD2 2.73Å; R38-D70 PolarHBondContact NH2-OD2 3.5Å
39T96Very high95.4Very high92 Ų9276.8 Ų76.856%0.56440%0.396SS*.Hα-helixtrans-65.5-44.3179.4-58.60000110.8S35 D36 L37 A43S35-T39 WeakPolarHBondContact O-CB 3.38Å; S35-T39 PolarHBondContact O-N 3.46Å; S35-T39 PolarHBondContact O-OG1 3.5Å; D36-T39 PolarHBondContact O-N 3.32Å; L37-T39 VanDerWaalsContact C-N 3.29Å; L37-T39 PolarHBondContact O-N 3.1Å; T39-A43 WeakPolarHBondContact O-CB 3.25Å; T39-A43 PolarHBondContact O-N 3.18Å
40R96Very high95.5Very high172 Ų17274.3 Ų74.365%0.64939%0.388SS*.Hα-helixtrans-62.3-51.3176-66.2172-169.9175.43.3111.7D36 L37 K42 A43 I44D36-R40 WeakPolarHBondContact O-CG 3.36Å; D36-R40 PolarHBondContact O-N 3.43Å; L37-R40 PolarHBondContact O-N 3.17Å; R40-K42 PolarHBondContact O-N 3.5Å; R40-A43 WeakPolarHBondContact O-CB 3.31Å; R40-A43 PolarHBondContact O-N 3.07Å; R40-A43 VanDerWaalsContact O-N 3.14Å; R40-I44 WeakPolarHBondContact O-CG1 3.49Å; R40-I44 PolarHBondContact O-N 3.42Å; R40-I44 VanDerWaalsContact O-N 3.1Å
41M96.2Very high95.7Very high21 Ų2176.1 Ų76.110%0.10340%0.402CS..Hα-helixtrans-59.4-44.1178.5-71.7170.2166.200112.1L37 A43 I44 A45 E61 L62 L65L37-M41 HydrophobicContact CD1-CE 3.79Å; L37-M41 HydrophobicContact CD1-SD 4.36Å; L37-M41 HydrophobicContact CD2-CE 4.12Å; L37-M41 HydrophobicContact CD2-SD 4.49Å; L37-M41 HydrophobicContact CG-CE 3.85Å; L37-M41 HydrophobicContact CG-SD 3.95Å; L37-M41 WeakPolarHBondContact O-CG 3.26Å; L37-M41 PolarHBondContact O-N 3.28Å; M41-A43 VanDerWaalsContact C-N 3.32Å; M41-A43 PolarHBondContact O-N 3.01Å; M41-I44 PolarHBondContact O-N 3.46Å; M41-A45 WeakPolarHBondContact O-CB 3.49Å; M41-A45 PolarHBondContact O-N 3.36Å; M41-E61 HydrophobicContact CE-CB 4.08Å; M41-E61 WeakPolarHBondContact CE-OE2 3.47Å; M41-L62 HydrophobicContact CB-CD1 4.26Å; M41-L65 HydrophobicContact SD-CD1 3.83Å; M41-L65 HydrophobicContact SD-CG 4.46Å
42K96Very high95.7Very high66 Ų6680.1 Ų80.129%0.28743%0.426SS..Hα-helixtrans-64.4-34.7176.9-78.3-178.2176.7-175.50112.6R38 R40 K46 L62 D70R38-K42 VanDerWaalsContact O-CB 3.24Å; R38-K42 WeakPolarHBondContact O-CB 3.45Å; R38-K42 VanDerWaalsContact O-CG 3.26Å; R38-K42 WeakPolarHBondContact O-CG 3.47Å; R38-K42 PolarHBondContact O-N 3.15Å; R40-K42 PolarHBondContact O-N 3.5Å; K42-K46 WeakPolarHBondContact O-CB 3.43Å; K42-K46 VanDerWaalsContact O-CG 3.31Å; K42-K46 WeakPolarHBondContact O-CG 3.32Å; K42-K46 PolarHBondContact O-N 3.4Å; K42-K46 VanDerWaalsContact O-N 3.12Å; K42-L62 HydrophobicContact CG-CD1 4.02Å; K42-L62 HydrophobicContact CG-CD2 3.73Å; K42-D70 IonicContact NZ-OD2 3.93Å; K42-D70 PolarHBondContact NZ-OD2 3.4Å
43A96.6Very high95.8Very high50 Ų5081.3 Ų81.341%0.41344%0.437SS..Hα-helixtrans-63.9-48.6175.200000110.5T39 R40 M41 A45 K46 N47T39-A43 WeakPolarHBondContact O-CB 3.25Å; T39-A43 PolarHBondContact O-N 3.18Å; R40-A43 WeakPolarHBondContact O-CB 3.31Å; R40-A43 PolarHBondContact O-N 3.07Å; R40-A43 VanDerWaalsContact O-N 3.14Å; M41-A43 VanDerWaalsContact C-N 3.32Å; M41-A43 PolarHBondContact O-N 3.01Å; A43-A45 PolarHBondContact O-N 2.81Å; A43-K46 PolarHBondContact O-N 3.09Å; A43-N47 PolarHBondContact O-N 3.06Å; A43-N47 PolarHBondContact O-ND2 3.42Å; A43-N47 VanDerWaalsContact O-ND2 3.17Å; A43-N47 PolarHBondContact O-OD1 3.34Å
44I96.7Very high95.8Very high56 Ų5678.8 Ų78.829%0.28743%0.426SS..Hα-helixtrans-62.2-47.2179.1-57.7169000111.1R40 M41 K46 N47 L50 I54 M58R40-I44 WeakPolarHBondContact O-CG1 3.49Å; R40-I44 PolarHBondContact O-N 3.42Å; R40-I44 VanDerWaalsContact O-N 3.1Å; M41-I44 PolarHBondContact O-N 3.46Å; I44-K46 VanDerWaalsContact C-N 3.26Å; I44-K46 PolarHBondContact O-N 3.2Å; I44-N47 WeakPolarHBondContact CA-ND2 3.24Å; I44-N47 PolarHBondContact O-N 2.92Å; I44-L50 HydrophobicContact CB-CD1 4.47Å; I44-L50 HydrophobicContact CG2-CD1 3.56Å; I44-I54 HydrophobicContact CG2-CG2 4.02Å; I44-M58 HydrophobicContact CB-CG 3.96Å; I44-M58 HydrophobicContact CD1-SD 4.05Å; I44-M58 HydrophobicContact CG2-CB 4.44Å; I44-M58 HydrophobicContact CG2-CG 3.56Å; I44-M58 HydrophobicContact CG2-SD 4.4Å
45A95.6Very high95.9Very high9 Ų977.5 Ų77.57%0.07442%0.422CS..Hα-helixtrans-60.8-32.9179.300000113.3M41 A43 K55 M58 E59M41-A45 WeakPolarHBondContact O-CB 3.49Å; M41-A45 PolarHBondContact O-N 3.36Å; A43-A45 PolarHBondContact O-N 2.81Å; A45-K55 WeakPolarHBondContact O-CE 3.37Å; A45-M58 HydrophobicContact CB-CB 4.35Å; A45-E59 HydrophobicContact CB-CG 3.87Å
46K95.3Very high96Very high164 Ų16482.2 Ų82.271%0.71344%0.437SS*.Hα-helixtrans-91.1-3.1-178.5-71.8-173173.5-162.60115K42 A43 I44K42-K46 WeakPolarHBondContact O-CB 3.43Å; K42-K46 VanDerWaalsContact O-CG 3.31Å; K42-K46 WeakPolarHBondContact O-CG 3.32Å; K42-K46 PolarHBondContact O-N 3.4Å; K42-K46 VanDerWaalsContact O-N 3.12Å; A43-K46 PolarHBondContact O-N 3.09Å; I44-K46 VanDerWaalsContact C-N 3.26Å; I44-K46 PolarHBondContact O-N 3.2Å
47N95.5Very high96Very high69 Ų6983.6 Ų83.637%0.36944%0.441SS..  trans-71140.7-179.4-74.5-32.6000111.6A43 I44 L50 K55A43-N47 PolarHBondContact O-N 3.06Å; A43-N47 PolarHBondContact O-ND2 3.42Å; A43-N47 VanDerWaalsContact O-ND2 3.17Å; A43-N47 PolarHBondContact O-OD1 3.34Å; I44-N47 WeakPolarHBondContact CA-ND2 3.24Å; I44-N47 PolarHBondContact O-N 2.92Å; N47-L50 HydrophobicContact CB-CB 4.46Å; N47-L50 HydrophobicContact CB-CD1 3.88Å; N47-L50 HydrophobicContact CB-CG 3.99Å; N47-L50 WeakPolarHBondContact ND2-CD1 3.39Å; N47-K55 VanDerWaalsContact O-CD 3.31Å; N47-K55 WeakPolarHBondContact O-CD 3.45Å; N47-K55 WeakPolarHBondContact O-CE 3.43Å; N47-K55 PolarHBondContact O-NZ 3Å
48D94.6Very high96.1Very high150 Ų15081.5 Ų81.580%0.80243%0.43SS*.SBendtrans-88.5-23.4178.6-64.5-36.5000113.4
49V96.2Very high96.1Very high142 Ų14284.9 Ų84.986%0.86145%0.446SS*.SBendtrans-80.5-27.2-175.7-178.10000112.8
50L94.9Very high96.1Very high59 Ų5988.3 Ų88.331%0.30945%0.454SS..SBendtrans-77.8147.9-171.8-65.3178.9000112.4I44 N47 T52 K55I44-L50 HydrophobicContact CB-CD1 4.47Å; I44-L50 HydrophobicContact CG2-CD1 3.56Å; N47-L50 HydrophobicContact CB-CB 4.46Å; N47-L50 HydrophobicContact CB-CD1 3.88Å; N47-L50 HydrophobicContact CB-CG 3.99Å; N47-L50 WeakPolarHBondContact ND2-CD1 3.39Å; L50-T52 PolarHBondContact O-N 2.9Å; L50-K55 HydrophobicContact CB-CG 4.34Å
51P96.8Very high96.1Very high78 Ų7883.7 Ų83.751%0.50644%0.439SS..  trans-51.7139.4171.4-27.334000112.7A53 I54 K55P51-A53 PolarHBondContact O-N 2.96Å; P51-I54 HydrophobicContact CB-CD1 4.46Å; P51-I54 HydrophobicContact CG-CD1 4.26Å; P51-I54 PolarHBondContact O-N 3.49Å; P51-K55 PolarHBondContact O-N 3.35Å
52T96Very high96.1Very high103 Ų10383.8 Ų83.863%0.63244%0.44SS*.Hα-helixtrans-60.6-29-177.9550000113.3L50 K55 K56L50-T52 PolarHBondContact O-N 2.9Å; T52-K55 PolarHBondContact O-N 2.7Å; T52-K56 WeakPolarHBondContact O-CG 3.16Å; T52-K56 PolarHBondContact O-N 3.31Å
53A96.4Very high96.1Very high69 Ų6987 Ų8757%0.5746%0.46SS*.Hα-helixtrans-60.4-49.417600000112.2P51 K55 K56 E57P51-A53 PolarHBondContact O-N 2.96Å; A53-K55 VanDerWaalsContact C-N 3.33Å; A53-K55 PolarHBondContact O-N 3Å; A53-K56 PolarHBondContact O-N 3.04Å; A53-E57 PolarHBondContact O-N 3.22Å
54I96.4Very high96Very high69 Ų6989.1 Ų89.135%0.35447%0.472SS..Hα-helixtrans-63.5-41.2179-63.3172.8000110.3I44 P51 K56 E57 M58I44-I54 HydrophobicContact CG2-CG2 4.02Å; P51-I54 HydrophobicContact CB-CD1 4.46Å; P51-I54 HydrophobicContact CG-CD1 4.26Å; P51-I54 PolarHBondContact O-N 3.49Å; I54-K56 PolarHBondContact O-N 3.37Å; I54-E57 PolarHBondContact O-N 3.17Å; I54-M58 WeakPolarHBondContact O-CG 3.39Å; I54-M58 PolarHBondContact O-N 3.02Å
55K96.7Very high95.9Very high43 Ų4387.6 Ų87.619%0.18746%0.464CS..Hα-helixtrans-59.4-48177.3-64.8175.463.3164.40111.4A45 N47 L50 P51 T52 A53 E57 M58 E59A45-K55 WeakPolarHBondContact O-CE 3.37Å; N47-K55 VanDerWaalsContact O-CD 3.31Å; N47-K55 WeakPolarHBondContact O-CD 3.45Å; N47-K55 WeakPolarHBondContact O-CE 3.43Å; N47-K55 PolarHBondContact O-NZ 3Å; L50-K55 HydrophobicContact CB-CG 4.34Å; P51-K55 PolarHBondContact O-N 3.35Å; T52-K55 PolarHBondContact O-N 2.7Å; A53-K55 VanDerWaalsContact C-N 3.33Å; A53-K55 PolarHBondContact O-N 3Å; K55-E57 VanDerWaalsContact C-N 3.33Å; K55-E57 PolarHBondContact O-N 3.31Å; K55-M58 PolarHBondContact O-N 3.18Å; K55-E59 WeakPolarHBondContact O-CG 3.37Å; K55-E59 PolarHBondContact O-N 3.13Å
56K96.2Very high96Very high142 Ų14289.7 Ų89.762%0.61748%0.477SS*.Hα-helixtrans-63.3-37.5178.9-74178.2179.3-178.10112.5T52 A53 I54 E59 K60T52-K56 WeakPolarHBondContact O-CG 3.16Å; T52-K56 PolarHBondContact O-N 3.31Å; A53-K56 PolarHBondContact O-N 3.04Å; I54-K56 PolarHBondContact O-N 3.37Å; K56-E59 PolarHBondContact O-N 2.82Å; K56-K60 WeakPolarHBondContact O-CB 3.31Å; K56-K60 PolarHBondContact O-N 3.29Å
57E97.1Very high95.9Very high109 Ų10990.6 Ų90.651%0.50948%0.476SS..Hα-helixtrans-62.8-48.9174.9-175.5173.6-158.700111.3A53 I54 K55 E59 K60 E61A53-E57 PolarHBondContact O-N 3.22Å; I54-E57 PolarHBondContact O-N 3.17Å; K55-E57 VanDerWaalsContact C-N 3.33Å; K55-E57 PolarHBondContact O-N 3.31Å; E57-E59 VanDerWaalsContact C-N 3.32Å; E57-E59 PolarHBondContact O-N 3.12Å; E57-K60 WeakPolarHBondContact O-CB 3.4Å; E57-K60 PolarHBondContact O-N 3.38Å; E57-K60 VanDerWaalsContact O-N 3.1Å; E57-E61 PolarHBondContact O-N 3.28Å
58M96.7Very high95.9Very high26 Ų2691 Ų9113%0.12848%0.476CS..Hα-helixtrans-63.4-35.5177.2-65.9-66.3103.900113I44 A45 I54 K55 E61 L62I44-M58 HydrophobicContact CB-CG 3.96Å; I44-M58 HydrophobicContact CD1-SD 4.05Å; I44-M58 HydrophobicContact CG2-CB 4.44Å; I44-M58 HydrophobicContact CG2-CG 3.56Å; I44-M58 HydrophobicContact CG2-SD 4.4Å; A45-M58 HydrophobicContact CB-CB 4.35Å; I54-M58 WeakPolarHBondContact O-CG 3.39Å; I54-M58 PolarHBondContact O-N 3.02Å; K55-M58 PolarHBondContact O-N 3.18Å; M58-E61 VanDerWaalsContact CE-OE2 3.29Å; M58-E61 WeakPolarHBondContact CE-OE2 3.4Å; M58-E61 PolarHBondContact O-N 3.12Å; M58-L62 VanDerWaalsContact O-CB 3.24Å; M58-L62 WeakPolarHBondContact O-CB 3.49Å; M58-L62 PolarHBondContact O-N 3.29Å
59E96Very high95.9Very high94 Ų9483.9 Ų83.944%0.43944%0.438SS..Hα-helixtrans-64-41.6172.7-74.8177.8173.900111.8A45 K55 K56 E57 L62 N63A45-E59 HydrophobicContact CB-CG 3.87Å; K55-E59 WeakPolarHBondContact O-CG 3.37Å; K55-E59 PolarHBondContact O-N 3.13Å; K56-E59 PolarHBondContact O-N 2.82Å; E57-E59 VanDerWaalsContact C-N 3.32Å; E57-E59 PolarHBondContact O-N 3.12Å; E59-L62 PolarHBondContact O-N 2.77Å; E59-N63 WeakPolarHBondContact O-CB 3.35Å; E59-N63 VanDerWaalsContact O-CG 3.24Å; E59-N63 PolarHBondContact O-N 3.17Å; E59-N63 PolarHBondContact O-ND2 3.05Å; E59-N63 VanDerWaalsContact O-ND2 3.1Å
60K96.8Very high95.8Very high164 Ų16478.1 Ų78.171%0.71340%0.402SS*.Hα-helixtrans-62.4-45.6175.1-172.8-176.7177.9-174.20111.1K56 E57 N63 S64K56-K60 WeakPolarHBondContact O-CB 3.31Å; K56-K60 PolarHBondContact O-N 3.29Å; E57-K60 WeakPolarHBondContact O-CB 3.4Å; E57-K60 PolarHBondContact O-N 3.38Å; E57-K60 VanDerWaalsContact O-N 3.1Å; K60-N63 PolarHBondContact O-N 2.83Å; K60-S64 PolarHBondContact O-N 2.98Å
61E96.1Very high95.8Very high74 Ų7478.2 Ų78.235%0.34641%0.407SS..Hα-helixtrans-62.4-45.5175.3-70.4-174178.400111.8M41 E57 M58 N63 S64 L65M41-E61 HydrophobicContact CE-CB 4.08Å; M41-E61 WeakPolarHBondContact CE-OE2 3.47Å; E57-E61 PolarHBondContact O-N 3.28Å; M58-E61 VanDerWaalsContact CE-OE2 3.29Å; M58-E61 WeakPolarHBondContact CE-OE2 3.4Å; M58-E61 PolarHBondContact O-N 3.12Å; E61-N63 PolarHBondContact O-N 3.09Å; E61-S64 WeakPolarHBondContact O-CB 3.32Å; E61-S64 PolarHBondContact O-N 2.76Å; E61-S64 PolarHBondContact O-OG 3.02Å; E61-L65 PolarHBondContact O-N 2.9Å
62L95.9Very high95.6Very high23 Ų2380.5 Ų80.512%0.1241%0.414CS..Hα-helixtrans-57.8-35178-176.969.1000112.3R38 M41 K42 M58 E59 L65R38-L62 HydrophobicContact CB-CD1 4.43Å; R38-L62 HydrophobicContact CG-CD1 4.25Å; R38-L62 PolarHBondContact NH1-O 2.88Å; M41-L62 HydrophobicContact CB-CD1 4.26Å; K42-L62 HydrophobicContact CG-CD1 4.02Å; K42-L62 HydrophobicContact CG-CD2 3.73Å; M58-L62 VanDerWaalsContact O-CB 3.24Å; M58-L62 WeakPolarHBondContact O-CB 3.49Å; M58-L62 PolarHBondContact O-N 3.29Å; E59-L62 PolarHBondContact O-N 2.77Å; L62-L65 HydrophobicContact CD1-CD1 4.31Å
63N94.8Very high95.5Very high133 Ų13379.3 Ų79.371%0.71140%0.399SS*.Hα-helixtrans-77.4-26.5176.9-72-29.5000113.3E59 K60 E61 L65E59-N63 WeakPolarHBondContact O-CB 3.35Å; E59-N63 VanDerWaalsContact O-CG 3.24Å; E59-N63 PolarHBondContact O-N 3.17Å; E59-N63 PolarHBondContact O-ND2 3.05Å; E59-N63 VanDerWaalsContact O-ND2 3.1Å; K60-N63 PolarHBondContact O-N 2.83Å; E61-N63 PolarHBondContact O-N 3.09Å; N63-L65 VanDerWaalsContact C-N 3.31Å
64S95.6Very high95.3Very high95 Ų9578.4 Ų78.466%0.66438%0.384SS*.Hα-helixtrans-74.5-19.5174.473.20000113.9K60 E61K60-S64 PolarHBondContact O-N 2.98Å; E61-S64 WeakPolarHBondContact O-CB 3.32Å; E61-S64 PolarHBondContact O-N 2.76Å; E61-S64 PolarHBondContact O-OG 3.02Å
65L95.2Very high95.1Very high24 Ų2481 Ų8113%0.12639%0.393CS..SBendtrans-60.7153.6176.8-68.7-179.7000111.6Y34 L37 R38 M41 E61 L62 N63 R67Y34-L65 HydrophobicContact CD1-CD2 4Å; Y34-L65 HydrophobicContact CE1-CD2 3.99Å; L37-L65 HydrophobicContact CD2-CD1 4.45Å; L37-L65 HydrophobicContact CD2-CD2 3.88Å; R38-L65 HydrophobicContact CG-CD1 3.49Å; R38-L65 VanDerWaalsContact CG-CD1 3.49Å; M41-L65 HydrophobicContact SD-CD1 3.83Å; M41-L65 HydrophobicContact SD-CG 4.46Å; E61-L65 PolarHBondContact O-N 2.9Å; L62-L65 HydrophobicContact CD1-CD1 4.31Å; N63-L65 VanDerWaalsContact C-N 3.31Å; L65-R67 PolarHBondContact O-N 3.19Å; L65-R67 VanDerWaalsContact O-N 3.16Å
66P96.2Very high94.7Very high53 Ų5381.6 Ų81.634%0.34440%0.398SS..  trans-52.3125.5178.4-27.335000111.5L30 Y34 H68 S69L30-P66 HydrophobicContact CD2-CB 4.1Å; Y34-P66 HydrophobicContact CE2-CG 4.18Å; P66-H68 PolarHBondContact O-N 3.06Å; P66-S69 WeakPolarHBondContact O-CB 3.5Å; P66-S69 PolarHBondContact O-N 3.07Å; P66-S69 PolarHBondContact O-OG 3.17Å
67R94.1Very high94.5Very high183 Ų18375.3 Ų75.369%0.69137%0.372SS*.G310 helixtrans-47.8-42.2-174.4-178.8178.1178.1175.73.4113.7L65 S69 D70 Y73L65-R67 PolarHBondContact O-N 3.19Å; L65-R67 VanDerWaalsContact O-N 3.16Å; R67-S69 VanDerWaalsContact C-N 3.25Å; R67-S69 PolarHBondContact O-N 3.14Å; R67-D70 PolarHBondContact O-N 3Å; R67-Y73 HydrophobicContact CG-CE1 4.44Å; R67-Y73 HydrophobicContact CG-CE2 3.9Å; R67-Y73 WeakPolarHBondContact CG-OH 3.43Å; R67-Y73 PolarHBondContact NE-OH 3.44Å; R67-Y73 WeakPolarHBondContact O-CD2 2.92Å; R67-Y73 WeakPolarHBondContact O-CE2 3.48Å
68H95.1Very high94.3Very high77 Ų7770.1 Ų70.136%0.35635%0.347SS..G310 helixtrans-79.70.7-177.5-72.9-37.9000115.1R27 L30 P66 Y73R27-H68 HydrophobicContact CG-CB 4.12Å; L30-H68 HydrophobicContact CD2-CB 3.82Å; P66-H68 PolarHBondContact O-N 3.06Å; H68-Y73 AromaticContact ND1-CD1 4Å; H68-Y73 AromaticContact ND1-CG 3.9Å
69S94.9Very high93.9Very high1 Ų171.5 Ų71.51%0.00735%0.353CS..G310 helixtrans-73.8-14169.368.30000112.5V31 R38 P66 R67V31-S69 WeakPolarHBondContact CG2-O 3.48Å; R38-S69 WeakPolarHBondContact CD-O 2.89Å; R38-S69 PolarHBondContact NH1-OG 2.91Å; P66-S69 WeakPolarHBondContact O-CB 3.5Å; P66-S69 PolarHBondContact O-N 3.07Å; P66-S69 PolarHBondContact O-OG 3.17Å; R67-S69 VanDerWaalsContact C-N 3.25Å; R67-S69 PolarHBondContact O-N 3.14Å
70D94.2Very high93.5Very high21 Ų2172 Ų7211%0.11236%0.357CS..SBendtrans-76.3128.7176.7-166.1-65.8000111.6R38 K42 R67 N72 Y73R38-D70 IonicContact CZ-OD2 3.32Å; R38-D70 IonicContact NE-OD2 2.98Å; R38-D70 IonicContact NH2-OD2 2.73Å; R38-D70 PolarHBondContact NH2-OD2 3.5Å; K42-D70 IonicContact NZ-OD2 3.93Å; K42-D70 PolarHBondContact NZ-OD2 3.4Å; R67-D70 PolarHBondContact O-N 3Å; D70-N72 PolarHBondContact O-N 3.08Å; D70-N72 VanDerWaalsContact O-N 3.12Å; D70-N72 WeakPolarHBondContact OD1-CB 3.13Å; D70-N72 PolarHBondContact OD1-N 3.08Å; D70-N72 PolarHBondContact OD1-ND2 2.74Å; D70-Y73 HydrophobicContact CB-CD2 3.77Å; D70-Y73 HydrophobicContact CB-CE2 3.89Å; D70-Y73 PolarHBondContact O-N 3.19Å; D70-Y73 VanDerWaalsContact O-N 3.13Å
71P93.8Very high93.2Very high62 Ų6267 Ų6740%0.40334%0.34SS..G310 helixtrans-60.1-21.5-179.724.6-35.5000114.1V31 Y73 L74V31-P71 HydrophobicContact CG1-CB 4.35Å; P71-Y73 PolarHBondContact O-N 3.13Å; P71-L74 WeakPolarHBondContact O-CB 3.42Å; P71-L74 WeakPolarHBondContact O-CG 3.48Å; P71-L74 PolarHBondContact O-N 2.91Å
72N94.1Very high93Very high125 Ų12563.8 Ų63.867%0.66833%0.327SS*.G310 helixtrans-62.9-21.7177.2-67.5-22.3000113.1D70 L74D70-N72 PolarHBondContact O-N 3.08Å; D70-N72 VanDerWaalsContact O-N 3.12Å; D70-N72 WeakPolarHBondContact OD1-CB 3.13Å; D70-N72 PolarHBondContact OD1-N 3.08Å; D70-N72 PolarHBondContact OD1-ND2 2.74Å; N72-L74 VanDerWaalsContact C-N 3.33Å
73Y92.7Very high92.9Very high79 Ų7966.2 Ų66.231%0.3134%0.335SS..G310 helixtrans-81-12.1176.8-68.5-75.5000113.9R67 H68 D70 P71R67-Y73 HydrophobicContact CG-CE1 4.44Å; R67-Y73 HydrophobicContact CG-CE2 3.9Å; R67-Y73 WeakPolarHBondContact CG-OH 3.43Å; R67-Y73 PolarHBondContact NE-OH 3.44Å; R67-Y73 WeakPolarHBondContact O-CD2 2.92Å; R67-Y73 WeakPolarHBondContact O-CE2 3.48Å; H68-Y73 AromaticContact ND1-CD1 4Å; H68-Y73 AromaticContact ND1-CG 3.9Å; D70-Y73 HydrophobicContact CB-CD2 3.77Å; D70-Y73 HydrophobicContact CB-CE2 3.89Å; D70-Y73 PolarHBondContact O-N 3.19Å; D70-Y73 VanDerWaalsContact O-N 3.13Å; P71-Y73 PolarHBondContact O-N 3.13Å
74L92.6Very high92.8Very high49 Ų4968.2 Ų68.226%0.25733%0.333SS..  trans-70.4138.9175.3-60.2-176.8000110.1R27 R28 V31 P71 N72R27-L74 HydrophobicContact CB-CD2 3.79Å; R28-L74 HydrophobicContact CB-CD2 4.39Å; R28-L74 HydrophobicContact CG-CD1 4.33Å; R28-L74 HydrophobicContact CG-CD2 3.61Å; V31-L74 HydrophobicContact CB-CD1 4.38Å; V31-L74 HydrophobicContact CG1-CD1 4.2Å; V31-L74 HydrophobicContact CG2-CD1 4.15Å; V31-L74 HydrophobicContact CG2-CD2 4Å; V31-L74 HydrophobicContact CG2-CG 4.09Å; P71-L74 WeakPolarHBondContact O-CB 3.42Å; P71-L74 WeakPolarHBondContact O-CG 3.48Å; P71-L74 PolarHBondContact O-N 2.91Å; N72-L74 VanDerWaalsContact C-N 3.33Å
75K91.3Very high92.7Very high123 Ų12373.9 Ų73.954%0.53534%0.339SS..  trans-119.5138176.3-61.3-61176.5-160.70110.2D24 R28 T77D24-K75 PolarHBondContact OD1-N 3.29Å; R28-K75 PolarHBondContact NH2-O 3.39Å; R28-K75 VanDerWaalsContact NH2-O 3.14Å; K75-T77 HydrophobicContact CB-CG2 4.3Å; K75-T77 PolarHBondContact O-N 3.32Å
76N90.4Very high92.7Very high56 Ų5674.8 Ų74.830%0.29935%0.354SS..  trans-73.696171.2-173.810.9000108.9N87 T89N76-N87 PolarHBondContact O-ND2 2.98Å; N76-T89 PolarHBondContact ND2-OG1 3.32Å; N76-T89 VanDerWaalsContact ND2-OG1 3.17Å
77T91.4Very high92.7Very high11 Ų1173.4 Ų73.47%0.06734%0.344CS..  trans-103147.1177.854.80000110.6K75 Q79 R83 N87K75-T77 HydrophobicContact CB-CG2 4.3Å; K75-T77 PolarHBondContact O-N 3.32Å; T77-Q79 PolarHBondContact O-N 3.02Å; T77-Q79 PolarHBondContact O-NE2 3Å; T77-R83 WeakPolarHBondContact CA-O 3.25Å; T77-N87 WeakPolarHBondContact CA-ND2 3.43Å
78C91.8Very high92.7Very high0 Ų066.9 Ų66.90%032%0.324CS..  trans-63.7127.3173.1174.10000109.5M80 T81 G82 R83 N87 R92 S94 I97C78-M80 VanDerWaalsContact C-N 3.25Å; C78-M80 PolarHBondContact O-N 3.14Å; C78-T81 PolarHBondContact SG-OG1 3.24Å; C78-G82 VanDerWaalsContact O-CA 3.25Å; C78-G82 WeakPolarHBondContact O-CA 3.23Å; C78-G82 PolarHBondContact O-N 3.32Å; C78-R83 HydrophobicContact CB-CB 4.05Å; C78-R83 PolarHBondContact N-O 2.84Å; C78-N87 PolarHBondContact N-ND2 3.14Å; C78-R92 WeakPolarHBondContact CA-O 3.48Å; C78-S94 PolarHBondContact SG-N 2.96Å; C78-I97 VanDerWaalsContact SG-CD1 3.57Å
79Q88.7Confident92.6Very high54 Ų5468 Ų6825%0.25234%0.337SS..THydrogen-bonded Turntrans-69.5-21.3-176.3-60.5-57.7-64.800113.6M21 T77 R92M21-Q79 WeakPolarHBondContact CE-O 3.43Å; T77-Q79 PolarHBondContact O-N 3.02Å; T77-Q79 PolarHBondContact O-NE2 3Å; Q79-R92 HydrophobicContact CG-CB 3.85Å; Q79-R92 PolarHBondContact N-O 2.89Å
80M88.3Confident92.4Very high105 Ų10578.1 Ų78.152%0.51738%0.375SS..THydrogen-bonded Turntrans-91.2-50.7179.6-62.1-65.6-76.300112.4A17 C78 L93 I97A17-M80 WeakPolarHBondContact CB-O 3.24Å; C78-M80 VanDerWaalsContact C-N 3.25Å; C78-M80 PolarHBondContact O-N 3.14Å; M80-L93 HydrophobicContact CB-CD2 4.49Å; M80-L93 HydrophobicContact CG-CD2 3.65Å; M80-I97 HydrophobicContact CB-CD1 3.54Å; M80-I97 HydrophobicContact CG-CD1 4.29Å
81T91Very high92.3Very high59 Ų5980.5 Ų80.536%0.36238%0.383SS..THydrogen-bonded Turntrans-102.6-13-173.152.20000114.8C78 R83 I97C78-T81 PolarHBondContact SG-OG1 3.24Å; T81-R83 VanDerWaalsContact C-N 3.26Å; T81-R83 PolarHBondContact O-N 3.14Å; T81-I97 HydrophobicContact CG2-CD1 3.4Å; T81-I97 HydrophobicContact CG2-CG1 4.28Å
82G90.8Very high92.3Very high7 Ų780.9 Ų80.97%0.07238%0.376CS..  trans70.217.3-171.200000114.4M21 C78 R84M21-G82 WeakPolarHBondContact SD-CA 3.13Å; C78-G82 VanDerWaalsContact O-CA 3.25Å; C78-G82 WeakPolarHBondContact O-CA 3.23Å; C78-G82 PolarHBondContact O-N 3.32Å; G82-R84 PolarHBondContact O-N 2.75Å
83R92.9Very high92.2Very high74 Ų7475.8 Ų75.828%0.27935%0.349SS..  trans-59.9132.6175.5-165.3-176-172.2-179.73110.7T77 C78 T81 R85 N87T77-R83 WeakPolarHBondContact CA-O 3.25Å; C78-R83 HydrophobicContact CB-CB 4.05Å; C78-R83 PolarHBondContact N-O 2.84Å; T81-R83 VanDerWaalsContact C-N 3.26Å; T81-R83 PolarHBondContact O-N 3.14Å; R83-R85 VanDerWaalsContact CD-O 3.23Å; R83-R85 WeakPolarHBondContact CD-O 3.43Å; R83-R85 WeakPolarHBondContact CG-O 3.35Å; R83-R85 PolarHBondContact NE-O 3.22Å; R83-N87 PolarHBondContact O-ND2 3.17Å
84R93.2Very high92.3Very high175 Ų17572.1 Ų72.166%0.6634%0.335SS*.  trans-85.6-26-175.2-66.3-172.7178.9-165.33.2115.3G82G82-R84 PolarHBondContact O-N 2.75Å
85R94.2Very high92.5Very high214 Ų21476.9 Ų76.981%0.80835%0.349SS*.SBendtrans-130.1157.5-173.2-63-176.3-177.91760.6110.3R83R83-R85 VanDerWaalsContact CD-O 3.23Å; R83-R85 WeakPolarHBondContact CD-O 3.43Å; R83-R85 WeakPolarHBondContact CG-O 3.35Å; R83-R85 PolarHBondContact NE-O 3.22Å
86G95.5Very high92.7Very high42 Ų4275.9 Ų75.943%0.43335%0.345SS..SBendtrans65.546.6178.800000112.2R95G86-R95 PolarHBondContact O-N 2.84Å
87N95.2Very high93Very high24 Ų2474.5 Ų74.513%0.12834%0.337CS..EExtended strand (participates in β ladder)trans-105.8139.2178.5-63.2-27.5000109.7N76 T77 C78 R83 T89 L93 S94N76-N87 PolarHBondContact O-ND2 2.98Å; T77-N87 WeakPolarHBondContact CA-ND2 3.43Å; C78-N87 PolarHBondContact N-ND2 3.14Å; R83-N87 PolarHBondContact O-ND2 3.17Å; N87-T89 PolarHBondContact O-N 3.17Å; N87-L93 CarbonylContact C-O 3.52Å; N87-L93 VanDerWaalsContact CA-O 3.25Å; N87-L93 WeakPolarHBondContact CA-O 3.36Å; N87-S94 WeakPolarHBondContact OD1-CA 3.4Å
88V94.6Very high93.2Very high46 Ų4676.1 Ų76.128%0.27934%0.343SS..EExtended strand (participates in β ladder)trans-85.3107.2174.9-170.60000107.7R90 Y91 R92 L93 F98V88-R90 VanDerWaalsContact C-N 3.3Å; V88-R90 PolarHBondContact O-N 3.03Å; V88-Y91 HydrophobicContact CB-CD2 4.32Å; V88-Y91 HydrophobicContact CG1-CD2 3.67Å; V88-Y91 HydrophobicContact CG1-CE2 4.32Å; V88-Y91 PolarHBondContact O-N 3.41Å; V88-Y91 VanDerWaalsContact O-N 3.13Å; V88-R92 PolarHBondContact O-N 3.47Å; V88-L93 PolarHBondContact N-O 3.06Å; V88-F98 HydrophobicContact CG2-CB 4.1Å; V88-F98 HydrophobicContact CG2-CD1 4Å; V88-F98 HydrophobicContact CG2-CD2 4.38Å; V88-F98 HydrophobicContact CG2-CG 3.87Å
89T92.3Very high93.4Very high101 Ų10183.3 Ų83.362%0.6237%0.371SS*.THydrogen-bonded Turntrans-56.6-39.8-170.3-54.50000113.5N76 N87 Y91 R92N76-T89 PolarHBondContact ND2-OG1 3.32Å; N76-T89 VanDerWaalsContact ND2-OG1 3.17Å; N87-T89 PolarHBondContact O-N 3.17Å; T89-Y91 VanDerWaalsContact C-N 3.33Å; T89-Y91 PolarHBondContact O-N 2.83Å; T89-R92 WeakPolarHBondContact O-CG 3.47Å; T89-R92 PolarHBondContact O-N 3.13Å
90R92.2Very high93.8Very high214 Ų21484.4 Ų84.481%0.80838%0.378SS*.THydrogen-bonded Turntrans-58.6-42.5178.5-174.4178.6-178.7-173.80.5112.6V88V88-R90 VanDerWaalsContact C-N 3.3Å; V88-R90 PolarHBondContact O-N 3.03Å
91Y91.9Very high94.2Very high71 Ų7181.5 Ų81.528%0.27836%0.364SS..THydrogen-bonded Turntrans-95.7-14.2-177-60.3-87.4000113.1V88 T89 L93 F98 L107 V110V88-Y91 HydrophobicContact CB-CD2 4.32Å; V88-Y91 HydrophobicContact CG1-CD2 3.67Å; V88-Y91 HydrophobicContact CG1-CE2 4.32Å; V88-Y91 PolarHBondContact O-N 3.41Å; V88-Y91 VanDerWaalsContact O-N 3.13Å; T89-Y91 VanDerWaalsContact C-N 3.33Å; T89-Y91 PolarHBondContact O-N 2.83Å; Y91-L93 PolarHBondContact O-N 3.4Å; Y91-F98 HydrophobicContact CD1-CD2 4.49Å; Y91-F98 HydrophobicContact CD1-CE2 4.29Å; Y91-F98 AromaticContact CD2-CD2 3.69Å; Y91-F98 HydrophobicContact CD2-CD2 3.69Å; Y91-F98 AromaticContact CD2-CE2 3.36Å; Y91-F98 HydrophobicContact CD2-CE2 3.36Å; Y91-F98 HydrophobicContact CD2-CZ 4.33Å; Y91-F98 HydrophobicContact CE1-CE2 4.23Å; Y91-F98 HydrophobicContact CE2-CD2 4.12Å; Y91-F98 AromaticContact CE2-CE2 3.31Å; Y91-F98 HydrophobicContact CE2-CE2 3.31Å; Y91-F98 HydrophobicContact CE2-CZ 4.01Å; Y91-F98 AromaticContact CG-CD2 3.91Å; Y91-F98 HydrophobicContact CG-CD2 3.91Å; Y91-F98 AromaticContact CG-CE2 3.89Å; Y91-F98 HydrophobicContact CG-CE2 3.89Å; Y91-F98 AromaticContact CZ-CE2 3.76Å; Y91-L107 HydrophobicContact CD1-CD1 4.43Å; Y91-L107 HydrophobicContact CD1-CD2 4.11Å; Y91-L107 HydrophobicContact CE1-CD1 4.33Å; Y91-L107 HydrophobicContact CE1-CD2 4.16Å; Y91-V110 WeakPolarHBondContact OH-CG2 3.38Å
92R92.7Very high94.4Very high70 Ų7079.6 Ų79.626%0.26435%0.354SS..THydrogen-bonded Turntrans53.930.1-172.7-56-179.7174.4160.3-1.7113.5C78 Q79 V88 T89C78-R92 WeakPolarHBondContact CA-O 3.48Å; Q79-R92 HydrophobicContact CG-CB 3.85Å; Q79-R92 PolarHBondContact N-O 2.89Å; V88-R92 PolarHBondContact O-N 3.47Å; T89-R92 WeakPolarHBondContact O-CG 3.47Å; T89-R92 PolarHBondContact O-N 3.13Å
93L92.9Very high94.7Very high18 Ų1882.9 Ų82.99%0.09437%0.37CS..EExtended strand (participates in β ladder)trans-110154.2177.3-66.4175000110.5M80 N87 V88 Y91 I97 F98 M101M80-L93 HydrophobicContact CB-CD2 4.49Å; M80-L93 HydrophobicContact CG-CD2 3.65Å; N87-L93 CarbonylContact C-O 3.52Å; N87-L93 VanDerWaalsContact CA-O 3.25Å; N87-L93 WeakPolarHBondContact CA-O 3.36Å; V88-L93 PolarHBondContact N-O 3.06Å; Y91-L93 PolarHBondContact O-N 3.4Å; L93-I97 HydrophobicContact CD1-CG2 4.22Å; L93-I97 HydrophobicContact CD2-CG2 4.03Å; L93-F98 HydrophobicContact CB-CB 4.34Å; L93-M101 HydrophobicContact CD1-CE 4.3Å; L93-M101 HydrophobicContact CD1-SD 3.44Å; L93-M101 WeakPolarHBondContact CD1-SD 3.48Å
94S95.1Very high94.9Very high2 Ų285.2 Ų85.21%0.01438%0.384CS..EExtended strand (participates in β ladder)trans-69.9151.8168.675.60000109.8C78 N87 F96 I97 F98C78-S94 PolarHBondContact SG-N 2.96Å; N87-S94 WeakPolarHBondContact OD1-CA 3.4Å; S94-F96 PolarHBondContact O-N 3.42Å; S94-I97 PolarHBondContact O-N 3.5Å; S94-I97 VanDerWaalsContact O-N 3.13Å; S94-I97 WeakPolarHBondContact OG-CG1 3.25Å; S94-I97 PolarHBondContact OG-N 3.4Å; S94-F98 WeakPolarHBondContact O-CB 3.37Å; S94-F98 PolarHBondContact O-N 2.89Å
95R96.1Very high94.9Very high148 Ų14879.8 Ų79.856%0.55838%0.382SS*.Hα-helixtrans-52.2-30.3176.759.2178.3-106.6-179.1-1.9114.6G86 R99G86-R95 PolarHBondContact O-N 2.84Å; R95-R99 VanDerWaalsContact O-CB 3.24Å; R95-R99 WeakPolarHBondContact O-CB 3.25Å; R95-R99 PolarHBondContact O-N 2.85Å
96F96.6Very high95Very high102 Ų10276.3 Ų76.345%0.44737%0.373SS..Hα-helixtrans-72.1-47.7179.5-60.2-51.8000111.5S94 R99 D100S94-F96 PolarHBondContact O-N 3.42Å; F96-R99 PolarHBondContact O-N 2.86Å; F96-D100 WeakPolarHBondContact O-CB 3.39Å; F96-D100 PolarHBondContact O-N 3.37Å
97I94.8Very high94.9Very high27 Ų2775.7 Ų75.714%0.13836%0.36CS..Hα-helixtrans-69.9-38.9178.2-59.3169.3000110.5C78 M80 T81 L93 S94 R99 D100 M101C78-I97 VanDerWaalsContact SG-CD1 3.57Å; M80-I97 HydrophobicContact CB-CD1 3.54Å; M80-I97 HydrophobicContact CG-CD1 4.29Å; T81-I97 HydrophobicContact CG2-CD1 3.4Å; T81-I97 HydrophobicContact CG2-CG1 4.28Å; L93-I97 HydrophobicContact CD1-CG2 4.22Å; L93-I97 HydrophobicContact CD2-CG2 4.03Å; S94-I97 PolarHBondContact O-N 3.5Å; S94-I97 VanDerWaalsContact O-N 3.13Å; S94-I97 WeakPolarHBondContact OG-CG1 3.25Å; S94-I97 PolarHBondContact OG-N 3.4Å; I97-R99 VanDerWaalsContact C-N 3.34Å; I97-R99 PolarHBondContact O-N 3.13Å; I97-D100 PolarHBondContact O-N 3.24Å; I97-M101 HydrophobicContact CG2-CE 3.61Å; I97-M101 HydrophobicContact CG2-CG 4.2Å; I97-M101 HydrophobicContact CG2-SD 3.96Å; I97-M101 WeakPolarHBondContact O-CB 3.29Å; I97-M101 VanDerWaalsContact O-CG 3.29Å; I97-M101 WeakPolarHBondContact O-CG 3.44Å; I97-M101 PolarHBondContact O-N 3.01Å
98F96.3Very high94.9Very high45 Ų4580.5 Ų80.520%0.19740%0.395CS..Hα-helixtrans-58.9-47.8174.7175.1-100.5000111V88 Y91 L93 S94 M101 A102 L107 V110V88-F98 HydrophobicContact CG2-CB 4.1Å; V88-F98 HydrophobicContact CG2-CD1 4Å; V88-F98 HydrophobicContact CG2-CD2 4.38Å; V88-F98 HydrophobicContact CG2-CG 3.87Å; Y91-F98 HydrophobicContact CD1-CD2 4.49Å; Y91-F98 HydrophobicContact CD1-CE2 4.29Å; Y91-F98 AromaticContact CD2-CD2 3.69Å; Y91-F98 HydrophobicContact CD2-CD2 3.69Å; Y91-F98 AromaticContact CD2-CE2 3.36Å; Y91-F98 HydrophobicContact CD2-CE2 3.36Å; Y91-F98 HydrophobicContact CD2-CZ 4.33Å; Y91-F98 HydrophobicContact CE1-CE2 4.23Å; Y91-F98 HydrophobicContact CE2-CD2 4.12Å; Y91-F98 AromaticContact CE2-CE2 3.31Å; Y91-F98 HydrophobicContact CE2-CE2 3.31Å; Y91-F98 HydrophobicContact CE2-CZ 4.01Å; Y91-F98 AromaticContact CG-CD2 3.91Å; Y91-F98 HydrophobicContact CG-CD2 3.91Å; Y91-F98 AromaticContact CG-CE2 3.89Å; Y91-F98 HydrophobicContact CG-CE2 3.89Å; Y91-F98 AromaticContact CZ-CE2 3.76Å; L93-F98 HydrophobicContact CB-CB 4.34Å; S94-F98 WeakPolarHBondContact O-CB 3.37Å; S94-F98 PolarHBondContact O-N 2.89Å; F98-M101 PolarHBondContact O-N 3.21Å; F98-A102 VanDerWaalsContact O-CB 3.24Å; F98-A102 WeakPolarHBondContact O-CB 3.4Å; F98-A102 PolarHBondContact O-N 2.9Å; F98-L107 HydrophobicContact CD2-CD1 3.6Å; F98-L107 HydrophobicContact CE2-CD1 3.51Å; F98-L107 HydrophobicContact CZ-CD1 4.43Å; F98-V110 HydrophobicContact CZ-CG1 4.01Å
99R96.6Very high94.9Very high152 Ų15281.9 Ų81.957%0.57442%0.418SS*.Hα-helixtrans-61.5-48.4175.9-176.6-177.670.1177.75.3111.5R95 F96 I97 M101 A102 D103R95-R99 VanDerWaalsContact O-CB 3.24Å; R95-R99 WeakPolarHBondContact O-CB 3.25Å; R95-R99 PolarHBondContact O-N 2.85Å; F96-R99 PolarHBondContact O-N 2.86Å; I97-R99 VanDerWaalsContact C-N 3.34Å; I97-R99 PolarHBondContact O-N 3.13Å; R99-M101 VanDerWaalsContact C-N 3.34Å; R99-M101 PolarHBondContact O-N 3.5Å; R99-A102 PolarHBondContact O-N 3.4Å; R99-D103 VanDerWaalsContact CG-OD2 3.25Å; R99-D103 WeakPolarHBondContact CG-OD2 3.24Å; R99-D103 WeakPolarHBondContact O-CB 3.24Å; R99-D103 PolarHBondContact O-N 3.22Å
100D96.7Very high95Very high76 Ų7678.8 Ų78.841%0.40640%0.399SS..Hα-helixtrans-56.3-47.3178-178.270.5000111.8F96 I97 A102 H104F96-D100 WeakPolarHBondContact O-CB 3.39Å; F96-D100 PolarHBondContact O-N 3.37Å; I97-D100 PolarHBondContact O-N 3.24Å; D100-A102 PolarHBondContact O-N 3.43Å; D100-H104 PolarHBondContact O-N 2.73Å; D100-H104 PolarHBondContact O-ND1 2.87Å; D100-H104 IonicContact OD1-CE1 3.38Å; D100-H104 PolarHBondContact OD1-CE1 3.27Å; D100-H104 IonicContact OD1-ND1 3.67Å; D100-H104 PolarHBondContact OD1-ND1 3.39Å
101M96.2Very high95.1Very high44 Ų4475.8 Ų75.822%0.21740%0.398CS..Hα-helixtrans-67.6-36.1177.3-69.5-178.7175.200113L93 I97 F98 R99 G105 K106 L107L93-M101 HydrophobicContact CD1-CE 4.3Å; L93-M101 HydrophobicContact CD1-SD 3.44Å; L93-M101 WeakPolarHBondContact CD1-SD 3.48Å; I97-M101 HydrophobicContact CG2-CE 3.61Å; I97-M101 HydrophobicContact CG2-CG 4.2Å; I97-M101 HydrophobicContact CG2-SD 3.96Å; I97-M101 WeakPolarHBondContact O-CB 3.29Å; I97-M101 VanDerWaalsContact O-CG 3.29Å; I97-M101 WeakPolarHBondContact O-CG 3.44Å; I97-M101 PolarHBondContact O-N 3.01Å; F98-M101 PolarHBondContact O-N 3.21Å; R99-M101 VanDerWaalsContact C-N 3.34Å; R99-M101 PolarHBondContact O-N 3.5Å; M101-G105 PolarHBondContact O-N 3.17Å; M101-K106 HydrophobicContact CB-CB 4.21Å; M101-K106 HydrophobicContact CG-CD 4.4Å; M101-K106 WeakPolarHBondContact O-CB 3.43Å; M101-K106 PolarHBondContact O-N 3.35Å; M101-L107 HydrophobicContact CB-CD1 3.98Å; M101-L107 HydrophobicContact CB-CD2 4.41Å; M101-L107 HydrophobicContact CB-CG 3.87Å
102A96.7Very high95.3Very high20 Ų2081.7 Ų81.717%0.16542%0.42CS..Hα-helixtrans-68.7-46.7177.500000112F98 R99 D100 H104 G105 L107 V110F98-A102 VanDerWaalsContact O-CB 3.24Å; F98-A102 WeakPolarHBondContact O-CB 3.4Å; F98-A102 PolarHBondContact O-N 2.9Å; R99-A102 PolarHBondContact O-N 3.4Å; D100-A102 PolarHBondContact O-N 3.43Å; A102-H104 VanDerWaalsContact C-N 3.26Å; A102-H104 PolarHBondContact O-N 3.17Å; A102-G105 PolarHBondContact O-N 2.77Å; A102-L107 HydrophobicContact CB-CD1 4.26Å; A102-V110 HydrophobicContact CB-CB 4.42Å; A102-V110 HydrophobicContact CB-CG1 3.66Å
103D96.2Very high95.4Very high76 Ų7681.5 Ų81.541%0.40643%0.433SS..Hα-helixtrans-64-32.4-179.4-75.5-31.5000111.8R99 G105 R112R99-D103 VanDerWaalsContact CG-OD2 3.25Å; R99-D103 WeakPolarHBondContact CG-OD2 3.24Å; R99-D103 WeakPolarHBondContact O-CB 3.24Å; R99-D103 PolarHBondContact O-N 3.22Å; D103-G105 VanDerWaalsContact C-N 3.32Å; D103-R112 IonicContact OD1-CZ 3.46Å; D103-R112 IonicContact OD1-NE 3.27Å; D103-R112 PolarHBondContact OD1-NE 3.45Å; D103-R112 IonicContact OD1-NH2 2.77Å; D103-R112 PolarHBondContact OD1-NH2 2.82Å; D103-R112 IonicContact OD2-NH2 3.74Å
104H96.4Very high95.5Very high122 Ų12289 Ų8957%0.56547%0.465SS*.THydrogen-bonded Turntrans-87.89.7174.7-64.795.8000114D100 A102 K106D100-H104 PolarHBondContact O-N 2.73Å; D100-H104 PolarHBondContact O-ND1 2.87Å; D100-H104 IonicContact OD1-CE1 3.38Å; D100-H104 PolarHBondContact OD1-CE1 3.27Å; D100-H104 IonicContact OD1-ND1 3.67Å; D100-H104 PolarHBondContact OD1-ND1 3.39Å; A102-H104 VanDerWaalsContact C-N 3.26Å; A102-H104 PolarHBondContact O-N 3.17Å; H104-K106 HydrophobicContact CB-CD 4.46Å; H104-K106 HydrophobicContact CB-CG 4.23Å; H104-K106 PolarHBondContact O-N 3.41Å; H104-K106 VanDerWaalsContact O-N 3.17Å
105G94.4Very high95.4Very high61 Ų6199.6 Ų99.663%0.62951%0.505SS*.THydrogen-bonded Turntrans66.217177.200000115.4M101 A102 D103 L107M101-G105 PolarHBondContact O-N 3.17Å; A102-G105 PolarHBondContact O-N 2.77Å; D103-G105 VanDerWaalsContact C-N 3.32Å; G105-L107 VanDerWaalsContact C-N 3.25Å; G105-L107 PolarHBondContact O-N 3.03Å
106K95.4Very high94.9Very high142 Ų142100.8 Ų100.862%0.61754%0.536SS*.  trans-75.5-14.1179.6-60.8178.4-177.81690112.9M101 H104M101-K106 HydrophobicContact CB-CB 4.21Å; M101-K106 HydrophobicContact CG-CD 4.4Å; M101-K106 WeakPolarHBondContact O-CB 3.43Å; M101-K106 PolarHBondContact O-N 3.35Å; H104-K106 HydrophobicContact CB-CD 4.46Å; H104-K106 HydrophobicContact CB-CG 4.23Å; H104-K106 PolarHBondContact O-N 3.41Å; H104-K106 VanDerWaalsContact O-N 3.17Å
107L93.8Very high94.8Very high29 Ų29100.7 Ų100.715%0.15254%0.54CS..SBendtrans-107.6117179.1-62.2175.9000110.2Y91 F98 M101 A102 G105 G109 V110Y91-L107 HydrophobicContact CD1-CD1 4.43Å; Y91-L107 HydrophobicContact CD1-CD2 4.11Å; Y91-L107 HydrophobicContact CE1-CD1 4.33Å; Y91-L107 HydrophobicContact CE1-CD2 4.16Å; F98-L107 HydrophobicContact CD2-CD1 3.6Å; F98-L107 HydrophobicContact CE2-CD1 3.51Å; F98-L107 HydrophobicContact CZ-CD1 4.43Å; M101-L107 HydrophobicContact CB-CD1 3.98Å; M101-L107 HydrophobicContact CB-CD2 4.41Å; M101-L107 HydrophobicContact CB-CG 3.87Å; A102-L107 HydrophobicContact CB-CD1 4.26Å; G105-L107 VanDerWaalsContact C-N 3.25Å; G105-L107 PolarHBondContact O-N 3.03Å; L107-G109 PolarHBondContact O-N 3.4Å; L107-V110 HydrophobicContact CB-CB 4.02Å; L107-V110 HydrophobicContact CB-CG2 3.61Å; L107-V110 HydrophobicContact CD1-CG2 4.25Å; L107-V110 PolarHBondContact O-N 3.43Å
108S94.6Very high94.8Very high125 Ų125104.6 Ų104.687%0.87456%0.561SS**THydrogen-bonded Turntrans-62.4133.7178.2-177.10000111.9V110S108-V110 PolarHBondContact O-N 3.23Å
109G94Very high94.8Very high74 Ų74107.9 Ų107.976%0.76358%0.582SS**THydrogen-bonded Turntrans72.51.9176.500000115.7L107 I111L107-G109 PolarHBondContact O-N 3.4Å; G109-I111 PolarHBondContact O-N 3.46Å
110V95.4Very high94.7Very high36 Ų36105.3 Ų105.322%0.21858%0.582CS.*  trans-87.4106.4176.9-176.20000109.1Y91 F98 A102 L107 S108Y91-V110 WeakPolarHBondContact OH-CG2 3.38Å; F98-V110 HydrophobicContact CZ-CG1 4.01Å; A102-V110 HydrophobicContact CB-CB 4.42Å; A102-V110 HydrophobicContact CB-CG1 3.66Å; L107-V110 HydrophobicContact CB-CB 4.02Å; L107-V110 HydrophobicContact CB-CG2 3.61Å; L107-V110 HydrophobicContact CD1-CG2 4.25Å; L107-V110 PolarHBondContact O-N 3.43Å; S108-V110 PolarHBondContact O-N 3.23Å
111I94.8Very high94.5Very high152 Ų152107.1 Ų107.178%0.77959%0.593SS**  trans-114156.5174.856165.3000110.5G109 A113G109-I111 PolarHBondContact O-N 3.46Å; I111-A113 PolarHBondContact O-N 3.33Å
112R95.3Very high94.4Very high194 Ų194111.3 Ų111.373%0.73262%0.618SS**  trans-67.4131.5170.7-69.5-174.8177.1-174.50.8108.9D103 K114D103-R112 IonicContact OD1-CZ 3.46Å; D103-R112 IonicContact OD1-NE 3.27Å; D103-R112 PolarHBondContact OD1-NE 3.45Å; D103-R112 IonicContact OD1-NH2 2.77Å; D103-R112 PolarHBondContact OD1-NH2 2.82Å; D103-R112 IonicContact OD2-NH2 3.74Å; R112-K114 PolarHBondContact O-N 3.46Å
113A95.1Very high94.2Very high67 Ų67117.9 Ų117.955%0.55465%0.65SS**  trans-66.8127175.600000109.6I111 W115I111-A113 PolarHBondContact O-N 3.33Å; A113-W115 HydrophobicContact CB-CD2 4.43Å; A113-W115 HydrophobicContact CB-CH2 3.5Å; A113-W115 HydrophobicContact CB-CZ2 3.28Å; A113-W115 HydrophobicContact CB-CZ3 4.15Å
114K95.2Very high94.1Very high175 Ų175121.1 Ų121.176%0.76167%0.669SS**  trans-123.8120.7173-177.3179.4177.8-1780106.3R112R112-K114 PolarHBondContact O-N 3.46Å
115W93.2Very high93.9Very high225 Ų225121 Ų12185%0.85268%0.678SS**  trans-109.9110.7172.3-20.498.7000104.2A113A113-W115 HydrophobicContact CB-CD2 4.43Å; A113-W115 HydrophobicContact CB-CH2 3.5Å; A113-W115 HydrophobicContact CB-CZ2 3.28Å; A113-W115 HydrophobicContact CB-CZ3 4.15Å
116S85.7Confident93.9Very high172 Ų172126.5 Ų126.5100%1.20368%0.682SS**  trans-820169.2-62.10000109.9

Retrieved 116 of 116 residues in 147.9 ms (Link to these results)