A0A087XTD8_POEFO Loading...

Large ribosomal subunit protein mL66

AlphaFold DB , UniProt , Accession A0A087XTD8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 159 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
1V80.9Confident87.4Confident140 Ų140109.7 Ų109.785%0.84860%0.603SS**  0125.30-178.20000106.6I12 E13V1-I12 HydrophobicContact CG1-CG2 3.45Å; V1-I12 VanDerWaalsContact CG1-CG2 3.45Å; V1-E13 CarbonylContact C-O 3.58Å; V1-E13 WeakPolarHBondContact CA-O 3.32Å
2V88.4Confident87.9Confident62 Ų62109.8 Ų109.838%0.37660%0.6SS.*EExtended strand (participates in β ladder)trans-117.4127.1178.9-178.40000107.2K4 E13V2-K4 HydrophobicContact CG1-CG 4.49Å; V2-E13 PolarHBondContact N-O 2.91Å; V2-E13 PolarHBondContact O-N 2.96Å
3E88.9Confident88.1Confident127 Ų127108.5 Ų108.559%0.59359%0.587SS**EExtended strand (participates in β ladder)trans-101.3124.9176-61.1-176.1-179.400108.7I12E3-I12 HydrophobicContact CG-CG1 4.37Å
4K89.9Confident88.2Confident95 Ų95105.8 Ų105.841%0.41360%0.598SS.*EExtended strand (participates in β ladder)trans-115.2133.1171.2-63.2176.7-171.8151.50108.5V2 T11 E13V2-K4 HydrophobicContact CG1-CG 4.49Å; K4-T11 PolarHBondContact N-O 2.9Å; K4-T11 PolarHBondContact O-N 3.15Å; K4-E13 IonicContact NZ-OE1 2.76Å; K4-E13 IonicContact NZ-OE2 3.66Å; K4-E13 PolarHBondContact NZ-OE2 2.85Å
5K86.7Confident88.3Confident152 Ų152108.7 Ų108.766%0.66160%0.604SS**EExtended strand (participates in β ladder)trans-115.7107.4178.9-71.7-178.2179.9176.90109.2T10K5-T10 HydrophobicContact CG-CG2 3.98Å
6D85.9Confident88.3Confident115 Ų115111.8 Ų111.862%0.61562%0.617SS**EExtended strand (participates in β ladder)trans-106.792.2175.6-63.5-36.8000108.2K8 T9D6-K8 PolarHBondContact O-N 2.82Å; D6-K8 VanDerWaalsContact O-N 3.15Å; D6-T9 PolarHBondContact N-O 3.15Å; D6-T9 PolarHBondContact O-N 3.04Å; D6-T9 VanDerWaalsContact O-N 3.15Å
7G87.6Confident88.4Confident82 Ų82112.9 Ų112.985%0.84562%0.621SS**THydrogen-bonded Turntrans63.8-111.4-176.300000112.8
8K87.9Confident88.3Confident212 Ų212117 Ų11792%0.92263%0.634SS**THydrogen-bonded Turntrans-92.1-11.4179.4-166.2174179-178.60113.3D6D6-K8 PolarHBondContact O-N 2.82Å; D6-K8 VanDerWaalsContact O-N 3.15Å
9T85.6Confident88.2Confident94 Ų94118.9 Ų118.958%0.57764%0.642SS**EExtended strand (participates in β ladder)trans-97.1133.3-177.8-480000109.8D6D6-T9 PolarHBondContact N-O 3.15Å; D6-T9 PolarHBondContact O-N 3.04Å; D6-T9 VanDerWaalsContact O-N 3.15Å
10T90.3Very high87.9Confident75 Ų75118.8 Ų118.846%0.4665%0.648SS.*EExtended strand (participates in β ladder)trans-112.8116175.3-51.70000108.9K5 I12K5-T10 HydrophobicContact CG-CG2 3.98Å; T10-I12 HydrophobicContact CG2-CG1 4.38Å
11T89.8Confident87.7Confident53 Ų53118.1 Ų118.133%0.32566%0.658SS.*EExtended strand (participates in β ladder)trans-99.7126.4178.5-51.20000108.8K4 E13K4-T11 PolarHBondContact N-O 2.9Å; K4-T11 PolarHBondContact O-N 3.15Å; T11-E13 HydrophobicContact CG2-CG 4.18Å
12I92.6Very high87.7Confident111 Ų111114.5 Ų114.557%0.56965%0.649SS**EExtended strand (participates in β ladder)trans-115.6113.7-178.3-56.5179.4000108.3V1 E3 T10V1-I12 HydrophobicContact CG1-CG2 3.45Å; V1-I12 VanDerWaalsContact CG1-CG2 3.45Å; E3-I12 HydrophobicContact CG-CG1 4.37Å; T10-I12 HydrophobicContact CG2-CG1 4.38Å
13E90.7Very high87.6Confident92 Ų92116.5 Ų116.543%0.4366%0.664SS.*EExtended strand (participates in β ladder)trans-113142.3-176.3-69171.6-179.500111.8V1 V2 K4 T11V1-E13 CarbonylContact C-O 3.58Å; V1-E13 WeakPolarHBondContact CA-O 3.32Å; V2-E13 PolarHBondContact N-O 2.91Å; V2-E13 PolarHBondContact O-N 2.96Å; K4-E13 IonicContact NZ-OE1 2.76Å; K4-E13 IonicContact NZ-OE2 3.66Å; K4-E13 PolarHBondContact NZ-OE2 2.85Å; T11-E13 HydrophobicContact CG2-CG 4.18Å
14G89.4Confident87.5Confident71 Ų71119.2 Ų119.273%0.73268%0.676SS**  trans-101.4108.9172.700000110.7
15Q89.4Confident87.6Confident149 Ų149117 Ų11770%0.69667%0.672SS**PPolyproline II helixtrans-94.9122.8174-166.5174.515.900110.1
16I89.1Confident87.9Confident159 Ų159113.6 Ų113.682%0.81567%0.665SS**PPolyproline II helixtrans-84.8121.9172-56.9172.2000107
17I90.2Very high88.2Confident131 Ų131110.3 Ų110.367%0.67265%0.647SS**PPolyproline II helixtrans-97.9125.5175.8-60171.8000107.1
18E86.6Confident88.3Confident186 Ų186111 Ų11187%0.86964%0.637SS**PPolyproline II helixtrans-72.6128.6174.9-63.5-169.6169.700110
19I85.3Confident88.5Confident153 Ų153106.8 Ų106.879%0.78563%0.629SS**  trans-104.5127.7178.7-57.6170.1000107
20P83.7Confident88.7Confident117 Ų117103.1 Ų103.176%0.7661%0.608SS**PPolyproline II helixtrans-62145.5179.325.8-34.1000111.1G22P20-G22 PolarHBondContact O-N 3.41Å
21A83.2Confident88.7Confident104 Ų104108.6 Ų108.686%0.8663%0.626SS**PPolyproline II helixtrans-62.8132.2177.200000110.6
22G79.5Confident88.8Confident64 Ų64106.1 Ų106.166%0.6661%0.611SS**PPolyproline II helixtrans-72.4164.6179.200000113.4P20P20-G22 PolarHBondContact O-N 3.41Å
23P87.1Confident88.9Confident104 Ų104102.4 Ų102.468%0.67559%0.594SS**PPolyproline II helixtrans-62.7156.9175.625.2-32.9000112.5W37P23-W37 HydrophobicContact CB-CH2 4.28Å; P23-W37 HydrophobicContact CG-CH2 3.84Å; P23-W37 HydrophobicContact CG-CZ2 4.35Å
24Q87.6Confident89.1Confident185 Ų18598.1 Ų98.186%0.86457%0.574SS**PPolyproline II helixtrans-68.6135.4178.1-66.2-176.21.700111.3
25P91.1Very high89.3Confident49 Ų4997.3 Ų97.332%0.31855%0.549SS..PPolyproline II helixtrans-77.3149.2-178.330.9-34.5000112N27 R36 W37P25-N27 VanDerWaalsContact C-N 3.32Å; P25-N27 PolarHBondContact O-N 3.41Å; P25-R36 HydrophobicContact CB-CB 4.15Å; P25-W37 HydrophobicContact CB-CZ2 4.25Å
26P92.4Very high89.6Confident79 Ų7995 Ų9551%0.51353%0.534SS..SBendtrans-70-26.3179.527.1-33.9000113.5R36 W37P26-R36 VanDerWaalsContact CD-O 3.32Å; P26-R36 WeakPolarHBondContact CD-O 3.14Å; P26-R36 WeakPolarHBondContact CG-O 3.44Å; P26-W37 VanDerWaalsContact CD-CE3 3.5Å; P26-W37 HydrophobicContact CG-CE3 4.21Å
27N92.4Very high89.8Confident46 Ų4692.8 Ų92.825%0.24652%0.516CS..  trans-124.993.9175.3-175.5-2.8000110.9P25 T29 R36P25-N27 VanDerWaalsContact C-N 3.32Å; P25-N27 PolarHBondContact O-N 3.41Å; N27-T29 VanDerWaalsContact C-N 3.28Å; N27-T29 PolarHBondContact O-N 3.29Å; N27-T29 PolarHBondContact OD1-N 3.11Å; N27-T29 PolarHBondContact OD1-OG1 3.4Å; N27-R36 WeakPolarHBondContact CB-O 3.26Å; N27-R36 PolarHBondContact N-O 3.09Å; N27-R36 VanDerWaalsContact O-CA 3.28Å; N27-R36 WeakPolarHBondContact O-CA 3.47Å; N27-R36 WeakPolarHBondContact O-CG 3.28Å
28P89.9Confident90Very high98 Ų9890.2 Ų90.264%0.63650%0.503SS*.THydrogen-bonded Turntrans-73.2-18.7-176.828.6-34.3000113.6
29T92.2Very high90.4Very high122 Ų12284 Ų8475%0.74848%0.476SS*.THydrogen-bonded Turntrans-75.8-28.8-173.965.90000113.3N27N27-T29 VanDerWaalsContact C-N 3.28Å; N27-T29 PolarHBondContact O-N 3.29Å; N27-T29 PolarHBondContact OD1-N 3.11Å; N27-T29 PolarHBondContact OD1-OG1 3.4Å
30A91.3Very high90.8Very high17 Ų1780.5 Ų80.514%0.1446%0.456CS..  trans-69145.1-177.900000111.6R36A30-R36 HydrophobicContact CB-CG 3.93Å; A30-R36 WeakPolarHBondContact O-CG 3.44Å; A30-R36 PolarHBondContact O-NE 3.28Å
31K88.5Confident91.4Very high190 Ų19077 Ų7783%0.82643%0.429SS*.SBendtrans-83.3-39.8177.9-66.6-178.8180178.90113
32C92.8Very high92Very high2 Ų278 Ų781%0.01441%0.414CS..SBendtrans-78.4134.2-178.7-172.10000111.2I34 Y35 R36 C70C32-I34 VanDerWaalsContact C-N 3.3Å; C32-I34 PolarHBondContact O-N 3.47Å; C32-Y35 HydrophobicContact CB-CD2 3.55Å; C32-Y35 HydrophobicContact CB-CE2 4.09Å; C32-Y35 HydrophobicContact CB-CG 3.89Å; C32-Y35 PolarHBondContact O-N 3.25Å; C32-R36 WeakPolarHBondContact O-CG 3.32Å; C32-R36 PolarHBondContact O-N 3.37Å; C32-C70 HydrophobicContact CB-CB 4.42Å; C32-C70 VanDerWaalsContact CB-SG 3.53Å; C32-C70 PolarHBondContact SG-N 2.96Å; C32-C70 VanDerWaalsContact SG-N 3.4Å
33P93.8Very high92.8Very high32 Ų3275.1 Ų75.121%0.20838%0.383CS..Hα-helixtrans-51.4-44.6175-28.834.2000113.7Y35 R36 W37 G68 L69P33-Y35 VanDerWaalsContact C-N 3.27Å; P33-Y35 PolarHBondContact O-N 3.15Å; P33-R36 WeakPolarHBondContact O-CB 3.44Å; P33-R36 PolarHBondContact O-N 3.11Å; P33-W37 PolarHBondContact O-N 3.25Å; P33-W37 VanDerWaalsContact O-N 3.11Å; P33-G68 WeakPolarHBondContact CD-O 3.34Å; P33-L69 HydrophobicContact CB-CD2 4.35Å; P33-L69 HydrophobicContact CG-CD2 4.35Å
34I95.4Very high93.2Very high2 Ų272.9 Ų72.91%0.0137%0.366CS..Hα-helixtrans-61.7-36.4-179.9-64.7-63.5000112.2C32 N38 L39 Y43 L50 F54 L69 E73 I77C32-I34 VanDerWaalsContact C-N 3.3Å; C32-I34 PolarHBondContact O-N 3.47Å; I34-N38 PolarHBondContact O-N 3.34Å; I34-L39 HydrophobicContact CG2-CB 4.08Å; I34-L39 PolarHBondContact O-N 2.73Å; I34-Y43 HydrophobicContact CG2-CE1 4.09Å; I34-L50 HydrophobicContact CD1-CD1 4.23Å; I34-L50 HydrophobicContact CD1-CD2 4.32Å; I34-F54 HydrophobicContact CD1-CE2 4.32Å; I34-F54 HydrophobicContact CD1-CZ 4.45Å; I34-L69 HydrophobicContact CD1-CD2 4.44Å; I34-L69 HydrophobicContact CG1-CD2 3.56Å; I34-E73 HydrophobicContact CB-CG 4.34Å; I34-E73 HydrophobicContact CG1-CB 4.37Å; I34-E73 HydrophobicContact CG2-CG 4.28Å; I34-I77 HydrophobicContact CD1-CD1 4Å; I34-I77 HydrophobicContact CG1-CD1 4.06Å
35Y94.4Very high93.7Very high55 Ų5565.3 Ų65.322%0.21633%0.33CS..Hα-helixtrans-78.4-34.9178.5-58.8-19.1000111.6C32 P33 W37 N38 Q40 E73C32-Y35 HydrophobicContact CB-CD2 3.55Å; C32-Y35 HydrophobicContact CB-CE2 4.09Å; C32-Y35 HydrophobicContact CB-CG 3.89Å; C32-Y35 PolarHBondContact O-N 3.25Å; P33-Y35 VanDerWaalsContact C-N 3.27Å; P33-Y35 PolarHBondContact O-N 3.15Å; Y35-W37 PolarHBondContact O-N 3.43Å; Y35-N38 PolarHBondContact O-N 3.06Å; Y35-N38 PolarHBondContact O-OD1 3.34Å; Y35-Q40 HydrophobicContact CD1-CB 3.84Å; Y35-Q40 HydrophobicContact CD1-CG 4.14Å; Y35-Q40 HydrophobicContact CE1-CB 3.86Å; Y35-Q40 HydrophobicContact CE1-CG 3.64Å; Y35-E73 HydrophobicContact CE1-CG 3.85Å; Y35-E73 PolarHBondContact OH-OE1 3.23Å
36R94.1Very high94Very high101 Ų10166.3 Ų66.338%0.38134%0.335SS..Hα-helixtrans-57.6-35.7172.7-72.1179.1175.3-178.4-2.5112.5P25 P26 N27 A30 C32 P33P25-R36 HydrophobicContact CB-CB 4.15Å; P26-R36 VanDerWaalsContact CD-O 3.32Å; P26-R36 WeakPolarHBondContact CD-O 3.14Å; P26-R36 WeakPolarHBondContact CG-O 3.44Å; N27-R36 WeakPolarHBondContact CB-O 3.26Å; N27-R36 PolarHBondContact N-O 3.09Å; N27-R36 VanDerWaalsContact O-CA 3.28Å; N27-R36 WeakPolarHBondContact O-CA 3.47Å; N27-R36 WeakPolarHBondContact O-CG 3.28Å; A30-R36 HydrophobicContact CB-CG 3.93Å; A30-R36 WeakPolarHBondContact O-CG 3.44Å; A30-R36 PolarHBondContact O-NE 3.28Å; C32-R36 WeakPolarHBondContact O-CG 3.32Å; C32-R36 PolarHBondContact O-N 3.37Å; P33-R36 WeakPolarHBondContact O-CB 3.44Å; P33-R36 PolarHBondContact O-N 3.11Å
37W93.9Very high94.2Very high112 Ų11265.4 Ų65.442%0.42433%0.326SS..THydrogen-bonded Turntrans-93.25.8178.6-70.1101.5000113.9P23 P25 P26 P33 Y35 L39P23-W37 HydrophobicContact CB-CH2 4.28Å; P23-W37 HydrophobicContact CG-CH2 3.84Å; P23-W37 HydrophobicContact CG-CZ2 4.35Å; P25-W37 HydrophobicContact CB-CZ2 4.25Å; P26-W37 VanDerWaalsContact CD-CE3 3.5Å; P26-W37 HydrophobicContact CG-CE3 4.21Å; P33-W37 PolarHBondContact O-N 3.25Å; P33-W37 VanDerWaalsContact O-N 3.11Å; Y35-W37 PolarHBondContact O-N 3.43Å; W37-L39 HydrophobicContact CB-CD1 3.88Å; W37-L39 HydrophobicContact CB-CG 3.93Å; W37-L39 PolarHBondContact O-N 3.06Å; W37-L39 VanDerWaalsContact O-N 3.15Å
38N94.4Very high94.4Very high76 Ų7665.3 Ų65.341%0.40633%0.327SS..THydrogen-bonded Turntrans53.531.8-178.4-60.6-41000114.1I34 Y35 K42I34-N38 PolarHBondContact O-N 3.34Å; Y35-N38 PolarHBondContact O-N 3.06Å; Y35-N38 PolarHBondContact O-OD1 3.34Å; N38-K42 WeakPolarHBondContact O-CD 3.47Å; N38-K42 WeakPolarHBondContact O-CE 3.22Å; N38-K42 PolarHBondContact O-NZ 3.28Å
39L95.1Very high94.6Very high57 Ų5767.7 Ų67.730%0.29833%0.333SS..  trans-921.1-178.2-69.2175.4000113.4I34 W37 H41 K42 Y43 L50I34-L39 HydrophobicContact CG2-CB 4.08Å; I34-L39 PolarHBondContact O-N 2.73Å; W37-L39 HydrophobicContact CB-CD1 3.88Å; W37-L39 HydrophobicContact CB-CG 3.93Å; W37-L39 PolarHBondContact O-N 3.06Å; W37-L39 VanDerWaalsContact O-N 3.15Å; L39-H41 PolarHBondContact O-N 3.38Å; L39-K42 PolarHBondContact O-N 3.47Å; L39-K42 VanDerWaalsContact O-N 3.15Å; L39-Y43 WeakPolarHBondContact O-CD1 3.35Å; L39-L50 HydrophobicContact CD1-CD1 3.86Å; L39-L50 HydrophobicContact CD1-CD2 4.3Å
40Q94.2Very high94.8Very high79 Ų7963 Ų6337%0.36930%0.303SS..THydrogen-bonded Turntrans-53.5132.1177.5-173.1179.3-10.100111Y35 K42Y35-Q40 HydrophobicContact CD1-CB 3.84Å; Y35-Q40 HydrophobicContact CD1-CG 4.14Å; Y35-Q40 HydrophobicContact CE1-CB 3.86Å; Y35-Q40 HydrophobicContact CE1-CG 3.64Å; Q40-K42 PolarHBondContact O-N 2.83Å; Q40-K42 VanDerWaalsContact O-N 3.08Å
41H95.1Very high95.1Very high42 Ų4262.1 Ų62.119%0.19430%0.296CS..THydrogen-bonded Turntrans63.46.7178-59.4-46.9000115.7L39 N146 N147 V148L39-H41 PolarHBondContact O-N 3.38Å; H41-N146 VanDerWaalsContact CG-O 3.25Å; H41-N146 PolarHBondContact ND1-O 3.31Å; H41-N147 CarbonylContact O-C 3.57Å; H41-N147 VanDerWaalsContact O-CA 3.26Å; H41-N147 WeakPolarHBondContact O-CA 3.47Å; H41-N147 WeakPolarHBondContact O-CB 3.35Å; H41-V148 HydrophobicContact CB-CG2 4.05Å; H41-V148 PolarHBondContact O-N 3.19Å
42K96.1Very high95.4Very high125 Ų12555 Ų5554%0.54327%0.271SS..THydrogen-bonded Turntrans-106.9-19.2-174.6-68.2174.5-172.1169.60114.5N38 L39 Q40 V148N38-K42 WeakPolarHBondContact O-CD 3.47Å; N38-K42 WeakPolarHBondContact O-CE 3.22Å; N38-K42 PolarHBondContact O-NZ 3.28Å; L39-K42 PolarHBondContact O-N 3.47Å; L39-K42 VanDerWaalsContact O-N 3.15Å; Q40-K42 PolarHBondContact O-N 2.83Å; Q40-K42 VanDerWaalsContact O-N 3.08Å; K42-V148 HydrophobicContact CG-CG2 4.36Å
43Y96.4Very high95.5Very high4 Ų461.1 Ų61.12%0.01630%0.299CS..  trans-94158-176.667.1-93.5000113.3I34 L39 D47 L50 E73 K76 I77 N147I34-Y43 HydrophobicContact CG2-CE1 4.09Å; L39-Y43 WeakPolarHBondContact O-CD1 3.35Å; Y43-D47 WeakPolarHBondContact CA-OD2 3.39Å; Y43-L50 HydrophobicContact CD1-CD2 4.16Å; Y43-L50 HydrophobicContact CD2-CD2 4.43Å; Y43-L50 HydrophobicContact CG-CD2 3.8Å; Y43-E73 VanDerWaalsContact CE1-OE2 3.25Å; Y43-E73 WeakPolarHBondContact CE1-OE2 3.22Å; Y43-E73 VanDerWaalsContact CZ-OE2 3.3Å; Y43-E73 PolarHBondContact OH-OE2 3.12Å; Y43-K76 HydrophobicContact CE2-CB 4.32Å; Y43-K76 WeakPolarHBondContact OH-CB 3.25Å; Y43-K76 WeakPolarHBondContact OH-CD 3.43Å; Y43-I77 HydrophobicContact CE2-CG1 4Å; Y43-N147 PolarHBondContact O-ND2 3.12Å
44N96.4Very high95.6Very high58 Ų5860.4 Ų60.431%0.3129%0.292SS..  trans-140.7176-179.3-156.3-1.3000111.7T46 D47N44-T46 PolarHBondContact O-N 3.38Å; N44-T46 VanDerWaalsContact O-N 3.14Å; N44-D47 PolarHBondContact N-OD2 3.17Å; N44-D47 PolarHBondContact O-N 3.08Å; N44-D47 VanDerWaalsContact O-N 3.14Å
45Y97.1Very high95.6Very high26 Ų2660.9 Ų60.910%0.10230%0.295CS..THydrogen-bonded Turntrans-64.1-16.1177.475.9-83.6000113.8D47 M83 A87 L89 L114Y45-D47 VanDerWaalsContact C-N 3.32Å; Y45-M83 HydrophobicContact CD2-CB 4.5Å; Y45-M83 HydrophobicContact CG-CB 4.16Å; Y45-A87 HydrophobicContact CE2-CB 4.33Å; Y45-L89 HydrophobicContact CD2-CD1 3.85Å; Y45-L89 HydrophobicContact CE2-CD1 4.08Å; Y45-L89 WeakPolarHBondContact O-CD1 3.27Å; Y45-L114 HydrophobicContact CD1-CD2 3.81Å; Y45-L114 HydrophobicContact CE1-CD2 3.31Å; Y45-L114 HydrophobicContact CE1-CG 3.64Å
46T97.3Very high95.6Very high69 Ų6960.5 Ų60.542%0.42330%0.299SS..THydrogen-bonded Turntrans-76.7-19.1177.450.90000112.9N44 V48N44-T46 PolarHBondContact O-N 3.38Å; N44-T46 VanDerWaalsContact O-N 3.14Å; T46-V48 WeakPolarHBondContact O-CG2 3.49Å; T46-V48 PolarHBondContact O-N 3.32Å
47D97.3Very high95.5Very high61 Ų6159.4 Ų59.433%0.32631%0.306SS..  trans-86.867.9-169.5-55.3-27.6000110.3Y43 N44 Y45 L49 L50 L51Y43-D47 WeakPolarHBondContact CA-OD2 3.39Å; N44-D47 PolarHBondContact N-OD2 3.17Å; N44-D47 PolarHBondContact O-N 3.08Å; N44-D47 VanDerWaalsContact O-N 3.14Å; Y45-D47 VanDerWaalsContact C-N 3.32Å; D47-L49 PolarHBondContact O-N 2.99Å; D47-L50 HydrophobicContact CB-CB 4.48Å; D47-L50 PolarHBondContact O-N 2.79Å; D47-L51 WeakPolarHBondContact O-CG 3.31Å; D47-L51 PolarHBondContact O-N 2.9Å; D47-L51 VanDerWaalsContact O-N 3.12Å
48V96.3Very high95.5Very high44 Ų4457.7 Ų57.727%0.26731%0.305SS..Hα-helixtrans-56.4-36.8-173-176.60000112T46 L50 L51 S52 L89 L90T46-V48 WeakPolarHBondContact O-CG2 3.49Å; T46-V48 PolarHBondContact O-N 3.32Å; V48-L50 VanDerWaalsContact C-N 3.28Å; V48-L50 PolarHBondContact O-N 3.19Å; V48-L51 PolarHBondContact O-N 3.17Å; V48-S52 VanDerWaalsContact O-CB 3.27Å; V48-S52 WeakPolarHBondContact O-CB 3.29Å; V48-S52 PolarHBondContact O-N 2.98Å; V48-S52 PolarHBondContact O-OG 3.15Å; V48-L89 HydrophobicContact CG2-CB 3.86Å; V48-L89 HydrophobicContact CG2-CD1 4.36Å; V48-L90 HydrophobicContact CG1-CD2 3.54Å; V48-L90 HydrophobicContact CG1-CG 4.38Å
49L95.4Very high95.4Very high147 Ų14754.8 Ų54.877%0.7729%0.293SS*.Hα-helixtrans-64-30.7-179.9-60.5178.3000113.6D47 S52 Q53D47-L49 PolarHBondContact O-N 2.99Å; L49-S52 PolarHBondContact O-OG 3.46Å; L49-Q53 WeakPolarHBondContact O-CG 3.34Å; L49-Q53 PolarHBondContact O-NE2 3.26Å; L49-Q53 VanDerWaalsContact O-NE2 3.09Å
50L96.1Very high95.4Very high23 Ų2353.6 Ų53.612%0.1230%0.295CS..Hα-helixtrans-81.9-43.9175.1178.766.7000110.3I34 L39 Y43 D47 V48 S52 Q53 F54I34-L50 HydrophobicContact CD1-CD1 4.23Å; I34-L50 HydrophobicContact CD1-CD2 4.32Å; L39-L50 HydrophobicContact CD1-CD1 3.86Å; L39-L50 HydrophobicContact CD1-CD2 4.3Å; Y43-L50 HydrophobicContact CD1-CD2 4.16Å; Y43-L50 HydrophobicContact CD2-CD2 4.43Å; Y43-L50 HydrophobicContact CG-CD2 3.8Å; D47-L50 HydrophobicContact CB-CB 4.48Å; D47-L50 PolarHBondContact O-N 2.79Å; V48-L50 VanDerWaalsContact C-N 3.28Å; V48-L50 PolarHBondContact O-N 3.19Å; L50-S52 VanDerWaalsContact C-N 3.33Å; L50-S52 PolarHBondContact O-N 3.07Å; L50-Q53 PolarHBondContact O-N 3.33Å; L50-F54 HydrophobicContact CD1-CE2 4.01Å; L50-F54 HydrophobicContact CG-CE2 4.41Å; L50-F54 WeakPolarHBondContact O-CD2 3.44Å
51L96.8Very high95.4Very high0 Ų052.3 Ų52.30%029%0.289CS..Hα-helixtrans-65.8-37-177.3-61.8177.3000111.9D47 V48 Q53 F54 I77 C80 V81 A84D47-L51 WeakPolarHBondContact O-CG 3.31Å; D47-L51 PolarHBondContact O-N 2.9Å; D47-L51 VanDerWaalsContact O-N 3.12Å; V48-L51 PolarHBondContact O-N 3.17Å; L51-Q53 PolarHBondContact O-N 3.34Å; L51-F54 PolarHBondContact O-N 3.07Å; L51-F54 VanDerWaalsContact O-N 3.08Å; L51-I77 HydrophobicContact CD2-CG2 4.02Å; L51-C80 HydrophobicContact CD1-CB 4.07Å; L51-C80 HydrophobicContact CD2-CB 3.68Å; L51-V81 HydrophobicContact CB-CG2 4.24Å; L51-V81 HydrophobicContact CD2-CG2 4.14Å; L51-A84 HydrophobicContact CD1-CB 4.1Å
52S95.6Very high95.5Very high41 Ų4152.7 Ų52.729%0.28729%0.293SS..G310 helixtrans-59.4-28.1-179.9630000113.1V48 L49 L50 F54 I55V48-S52 VanDerWaalsContact O-CB 3.27Å; V48-S52 WeakPolarHBondContact O-CB 3.29Å; V48-S52 PolarHBondContact O-N 2.98Å; V48-S52 PolarHBondContact O-OG 3.15Å; L49-S52 PolarHBondContact O-OG 3.46Å; L50-S52 VanDerWaalsContact C-N 3.33Å; L50-S52 PolarHBondContact O-N 3.07Å; S52-F54 VanDerWaalsContact C-N 3.27Å; S52-F54 PolarHBondContact O-N 2.7Å; S52-I55 WeakPolarHBondContact O-CG1 3.29Å
53Q93.9Very high95.6Very high129 Ų12949.8 Ų49.860%0.60329%0.287SS*.G310 helixtrans-70.4-22.8179.2-59.9173.317.600113.1L49 L50 L51L49-Q53 WeakPolarHBondContact O-CG 3.34Å; L49-Q53 PolarHBondContact O-NE2 3.26Å; L49-Q53 VanDerWaalsContact O-NE2 3.09Å; L50-Q53 PolarHBondContact O-N 3.33Å; L51-Q53 PolarHBondContact O-N 3.34Å
54F95.9Very high95.5Very high17 Ų1755.6 Ų55.68%0.07531%0.309CS..G310 helixtrans-108.26.5-175.3-60.5-71.5000113.7I34 L50 L51 S52 M61 L62 T67 L69 I77I34-F54 HydrophobicContact CD1-CE2 4.32Å; I34-F54 HydrophobicContact CD1-CZ 4.45Å; L50-F54 HydrophobicContact CD1-CE2 4.01Å; L50-F54 HydrophobicContact CG-CE2 4.41Å; L50-F54 WeakPolarHBondContact O-CD2 3.44Å; L51-F54 PolarHBondContact O-N 3.07Å; L51-F54 VanDerWaalsContact O-N 3.08Å; S52-F54 VanDerWaalsContact C-N 3.27Å; S52-F54 PolarHBondContact O-N 2.7Å; F54-M61 HydrophobicContact CB-CE 3.7Å; F54-M61 HydrophobicContact CB-SD 4.3Å; F54-L62 WeakPolarHBondContact O-CB 3.47Å; F54-L62 WeakPolarHBondContact O-CG 3.33Å; F54-L62 PolarHBondContact O-N 2.92Å; F54-T67 HydrophobicContact CD1-CG2 3.77Å; F54-L69 HydrophobicContact CD1-CD1 3.76Å; F54-L69 HydrophobicContact CD1-CG 4.41Å; F54-L69 HydrophobicContact CE1-CD1 3.79Å; F54-L69 HydrophobicContact CE1-CD2 4.03Å; F54-L69 HydrophobicContact CE1-CG 3.99Å; F54-L69 HydrophobicContact CG-CD1 4.26Å; F54-L69 HydrophobicContact CZ-CD1 4.31Å; F54-L69 HydrophobicContact CZ-CD2 4.05Å; F54-L69 HydrophobicContact CZ-CG 4.48Å; F54-I77 HydrophobicContact CB-CG2 4.21Å; F54-I77 HydrophobicContact CD2-CD1 4.13Å; F54-I77 HydrophobicContact CD2-CG2 4.28Å; F54-I77 HydrophobicContact CE2-CD1 4.1Å; F54-I77 HydrophobicContact CG-CG2 4.48Å
55I96.6Very high95.5Very high13 Ų1363.2 Ų63.27%0.06733%0.333CS..BIsolated β-bridgetrans-114.7158.8179.661.9177.1000111.7S52 G60 V81 L90 H93S52-I55 WeakPolarHBondContact O-CG1 3.29Å; I55-G60 CarbonylContact C-O 3.59Å; I55-G60 VanDerWaalsContact CA-O 3.22Å; I55-G60 WeakPolarHBondContact CA-O 3.21Å; I55-V81 HydrophobicContact CG2-CB 4.34Å; I55-V81 HydrophobicContact CG2-CG1 3.69Å; I55-V81 HydrophobicContact CG2-CG2 3.63Å; I55-L90 HydrophobicContact CD1-CD1 3.87Å; I55-L90 HydrophobicContact CD1-CD2 3.87Å; I55-L90 HydrophobicContact CD1-CG 4.49Å; I55-H93 HydrophobicContact CD1-CB 4.07Å; I55-H93 WeakPolarHBondContact CD1-ND1 3.34Å
56T94.9Very high95.4Very high47 Ų4767.7 Ų67.729%0.28836%0.357SS..  trans-81.1168.8171.262.60000111D58 G59 G60 L62 H93T56-D58 PolarHBondContact O-N 3.3Å; T56-D58 VanDerWaalsContact O-N 3.15Å; T56-D58 PolarHBondContact OG1-N 3.26Å; T56-G59 PolarHBondContact O-N 3.19Å; T56-G60 PolarHBondContact N-O 3.05Å; T56-G60 WeakPolarHBondContact OG1-CA 3.33Å; T56-G60 PolarHBondContact OG1-N 3.34Å; T56-G60 PolarHBondContact OG1-O 3.05Å; T56-L62 HydrophobicContact CG2-CD2 3.71Å; T56-L62 HydrophobicContact CG2-CG 4.38Å; T56-H93 PolarHBondContact O-ND1 2.96Å
57S92Very high95.2Very high77 Ų7765.3 Ų65.354%0.53834%0.343SS..THydrogen-bonded Turntrans-55.6-27.1170.353.60000112.9G59 H93S57-G59 VanDerWaalsContact C-N 3.34Å; S57-H93 VanDerWaalsContact O-CA 3.31Å; S57-H93 WeakPolarHBondContact O-CA 3.49Å
58D92.1Very high95.1Very high77 Ų7764.4 Ų64.441%0.41235%0.348SS..THydrogen-bonded Turntrans-89.3-1.4-177.8-50-41000113T56T56-D58 PolarHBondContact O-N 3.3Å; T56-D58 VanDerWaalsContact O-N 3.15Å; T56-D58 PolarHBondContact OG1-N 3.26Å
59G92.8Very high95.1Very high14 Ų1462.4 Ų62.414%0.14434%0.336CS..SBendtrans85.29.4-176.200000114.7T56 S57 H85T56-G59 PolarHBondContact O-N 3.19Å; S57-G59 VanDerWaalsContact C-N 3.34Å; G59-H85 PolarHBondContact O-NE2 3.02Å; G59-H85 VanDerWaalsContact O-NE2 3.15Å
60G94.8Very high95.1Very high33 Ų3357.7 Ų57.734%0.3431%0.314SS..PPolyproline II helixtrans-76.7145.8173.400000111.7I55 T56I55-G60 CarbonylContact C-O 3.59Å; I55-G60 VanDerWaalsContact CA-O 3.22Å; I55-G60 WeakPolarHBondContact CA-O 3.21Å; T56-G60 PolarHBondContact N-O 3.05Å; T56-G60 WeakPolarHBondContact OG1-CA 3.33Å; T56-G60 PolarHBondContact OG1-N 3.34Å; T56-G60 PolarHBondContact OG1-O 3.05Å
61M95.8Very high95.1Very high51 Ų5160.7 Ų60.725%0.25133%0.33SS..BIsolated β-bridgetrans-73.9133.4174.2-174.468.6-164.200110.7F54 L69 I77 A78 V81F54-M61 HydrophobicContact CB-CE 3.7Å; F54-M61 HydrophobicContact CB-SD 4.3Å; M61-L69 HydrophobicContact CE-CD1 4.39Å; M61-I77 HydrophobicContact CE-CB 4.31Å; M61-I77 HydrophobicContact CE-CG2 3.64Å; M61-I77 HydrophobicContact SD-CG2 4.01Å; M61-A78 HydrophobicContact CG-CB 4.39Å; M61-V81 HydrophobicContact SD-CG2 4.24Å
62L96.5Very high95.1Very high50 Ų5066.6 Ų66.626%0.26236%0.358SS..PPolyproline II helixtrans-67.4145.8175.2-73.4173.5000111.8F54 T56 T67 H74F54-L62 WeakPolarHBondContact O-CB 3.47Å; F54-L62 WeakPolarHBondContact O-CG 3.33Å; F54-L62 PolarHBondContact O-N 2.92Å; T56-L62 HydrophobicContact CG2-CD2 3.71Å; T56-L62 HydrophobicContact CG2-CG 4.38Å; L62-T67 HydrophobicContact CB-CG2 3.47Å; L62-T67 VanDerWaalsContact CB-CG2 3.47Å; L62-T67 HydrophobicContact CD1-CG2 4.3Å; L62-H74 PolarHBondContact O-CE1 3.28Å; L62-H74 VanDerWaalsContact O-CE1 3.26Å
63P97.1Very high95.1Very high64 Ų6464.7 Ų64.742%0.41634%0.344SS..PPolyproline II helixtrans-60.1142.9178.4-24.133.7000113.3R65 I66 T67P63-R65 HydrophobicContact CB-CG 4.12Å; P63-R65 PolarHBondContact O-N 2.96Å; P63-I66 HydrophobicContact CB-CG1 4.32Å; P63-I66 PolarHBondContact O-N 3.4Å; P63-T67 PolarHBondContact O-N 3.27Å; P63-T67 PolarHBondContact O-OG1 3.18Å
64R96Very high95.3Very high127 Ų12760.1 Ų60.148%0.47932%0.323SS..Hα-helixtrans-54.7-38.1178.6-167.9176.167.285.6-1.7113.7I66 T67 G68 L69 H74R64-I66 PolarHBondContact O-N 2.97Å; R64-T67 WeakPolarHBondContact CA-OG1 3.34Å; R64-T67 PolarHBondContact O-N 3.29Å; R64-T67 PolarHBondContact O-OG1 2.93Å; R64-G68 PolarHBondContact O-N 3.26Å; R64-L69 WeakPolarHBondContact CD-O 3.5Å; R64-L69 VanDerWaalsContact CG-O 3.22Å; R64-L69 WeakPolarHBondContact CG-O 3.42Å; R64-H74 HydrophobicContact CG-CB 4.17Å
65R95.3Very high95.3Very high218 Ų21866.7 Ų66.782%0.82335%0.347SS*.Hα-helixtrans-61.6-28.6179.268.2-178-177.8-172.51113.4P63P63-R65 HydrophobicContact CB-CG 4.12Å; P63-R65 PolarHBondContact O-N 2.96Å
66I94.3Very high95.3Very high120 Ų12066.8 Ų66.862%0.61535%0.347SS*.Hα-helixtrans-89.3-45.1179.1-55.5-56.3000110P63 R64 G68P63-I66 HydrophobicContact CB-CG1 4.32Å; P63-I66 PolarHBondContact O-N 3.4Å; R64-I66 PolarHBondContact O-N 2.97Å; I66-G68 VanDerWaalsContact C-N 3.28Å; I66-G68 PolarHBondContact O-N 3.26Å
67T94.9Very high95.5Very high18 Ų1864.5 Ų64.511%0.1133%0.333CS..Hα-helixtrans-69.3-22.3-178.455.50000113.9F54 L62 P63 R64 L69F54-T67 HydrophobicContact CD1-CG2 3.77Å; L62-T67 HydrophobicContact CB-CG2 3.47Å; L62-T67 VanDerWaalsContact CB-CG2 3.47Å; L62-T67 HydrophobicContact CD1-CG2 4.3Å; P63-T67 PolarHBondContact O-N 3.27Å; P63-T67 PolarHBondContact O-OG1 3.18Å; R64-T67 WeakPolarHBondContact CA-OG1 3.34Å; R64-T67 PolarHBondContact O-N 3.29Å; R64-T67 PolarHBondContact O-OG1 2.93Å; T67-L69 PolarHBondContact O-N 3.02Å
68G94.5Very high95.7Very high42 Ų4262 Ų6243%0.43332%0.316SS..  trans7111.4-179.700000114.4P33 R64 I66P33-G68 WeakPolarHBondContact CD-O 3.34Å; R64-G68 PolarHBondContact O-N 3.26Å; I66-G68 VanDerWaalsContact C-N 3.28Å; I66-G68 PolarHBondContact O-N 3.26Å
69L96.5Very high96Very high3 Ų359.5 Ų59.52%0.01630%0.303CS..  trans-74.2148.1-179.1-67.5168.4000112.3P33 I34 F54 M61 R64 T67 H74 I77P33-L69 HydrophobicContact CB-CD2 4.35Å; P33-L69 HydrophobicContact CG-CD2 4.35Å; I34-L69 HydrophobicContact CD1-CD2 4.44Å; I34-L69 HydrophobicContact CG1-CD2 3.56Å; F54-L69 HydrophobicContact CD1-CD1 3.76Å; F54-L69 HydrophobicContact CD1-CG 4.41Å; F54-L69 HydrophobicContact CE1-CD1 3.79Å; F54-L69 HydrophobicContact CE1-CD2 4.03Å; F54-L69 HydrophobicContact CE1-CG 3.99Å; F54-L69 HydrophobicContact CG-CD1 4.26Å; F54-L69 HydrophobicContact CZ-CD1 4.31Å; F54-L69 HydrophobicContact CZ-CD2 4.05Å; F54-L69 HydrophobicContact CZ-CG 4.48Å; M61-L69 HydrophobicContact CE-CD1 4.39Å; R64-L69 WeakPolarHBondContact CD-O 3.5Å; R64-L69 VanDerWaalsContact CG-O 3.22Å; R64-L69 WeakPolarHBondContact CG-O 3.42Å; T67-L69 PolarHBondContact O-N 3.02Å; L69-H74 HydrophobicContact CB-CB 4.02Å; L69-H74 HydrophobicContact CD1-CB 4.47Å; L69-I77 HydrophobicContact CD1-CD1 3.61Å; L69-I77 HydrophobicContact CD2-CD1 4.08Å
70C95.7Very high96.2Very high47 Ų4758.9 Ų58.932%0.31830%0.296SS..  trans-61.6153.5164.4-73.50000110.7C32 E72 E73 H74C32-C70 HydrophobicContact CB-CB 4.42Å; C32-C70 VanDerWaalsContact CB-SG 3.53Å; C32-C70 PolarHBondContact SG-N 2.96Å; C32-C70 VanDerWaalsContact SG-N 3.4Å; C70-E72 VanDerWaalsContact C-N 3.27Å; C70-E72 PolarHBondContact O-N 2.92Å; C70-E73 PolarHBondContact O-N 3.15Å; C70-H74 VanDerWaalsContact O-CB 3.25Å; C70-H74 WeakPolarHBondContact O-CB 3.37Å; C70-H74 PolarHBondContact O-N 3.14Å
71L95.9Very high96.3Very high86 Ų8657.5 Ų57.545%0.4528%0.282SS..Hα-helixtrans-56.7-41.2-178.5-179.563.5000112.5R75L71-R75 WeakPolarHBondContact O-CG 3.25Å; L71-R75 PolarHBondContact O-N 3.14Å; L71-R75 VanDerWaalsContact O-N 3.09Å
72E95.1Very high96.4Very high125 Ų12559.8 Ų59.858%0.58429%0.292SS*.Hα-helixtrans-64.9-51.3-179.9-61.4-171.8178.300112.3C70 H74 R75 K76C70-E72 VanDerWaalsContact C-N 3.27Å; C70-E72 PolarHBondContact O-N 2.92Å; E72-H74 VanDerWaalsContact C-N 3.34Å; E72-H74 PolarHBondContact O-N 3.4Å; E72-R75 PolarHBondContact O-N 3.13Å; E72-K76 WeakPolarHBondContact O-CG 3.07Å; E72-K76 PolarHBondContact O-N 3.49Å
73E96.5Very high96.4Very high0 Ų057.5 Ų57.50%028%0.28CS..Hα-helixtrans-66.2-38.2-180-63-54.513600111.3I34 Y35 Y43 C70 R75 K76 I77I34-E73 HydrophobicContact CB-CG 4.34Å; I34-E73 HydrophobicContact CG1-CB 4.37Å; I34-E73 HydrophobicContact CG2-CG 4.28Å; Y35-E73 HydrophobicContact CE1-CG 3.85Å; Y35-E73 PolarHBondContact OH-OE1 3.23Å; Y43-E73 VanDerWaalsContact CE1-OE2 3.25Å; Y43-E73 WeakPolarHBondContact CE1-OE2 3.22Å; Y43-E73 VanDerWaalsContact CZ-OE2 3.3Å; Y43-E73 PolarHBondContact OH-OE2 3.12Å; C70-E73 PolarHBondContact O-N 3.15Å; E73-R75 VanDerWaalsContact C-N 3.33Å; E73-R75 PolarHBondContact O-N 3.18Å; E73-K76 PolarHBondContact O-N 3.04Å; E73-K76 IonicContact OE1-NZ 3.98Å; E73-K76 PolarHBondContact OE1-NZ 3.02Å; E73-I77 WeakPolarHBondContact O-CB 3.43Å; E73-I77 WeakPolarHBondContact O-CG1 3.33Å; E73-I77 PolarHBondContact O-N 3.48Å
74H97.3Very high96.4Very high33 Ų3354.5 Ų54.515%0.15326%0.26CS..Hα-helixtrans-60-42.5174.7-171.669.9000112L62 R64 L69 C70 E72 A78L62-H74 PolarHBondContact O-CE1 3.28Å; L62-H74 VanDerWaalsContact O-CE1 3.26Å; R64-H74 HydrophobicContact CG-CB 4.17Å; L69-H74 HydrophobicContact CB-CB 4.02Å; L69-H74 HydrophobicContact CD1-CB 4.47Å; C70-H74 VanDerWaalsContact O-CB 3.25Å; C70-H74 WeakPolarHBondContact O-CB 3.37Å; C70-H74 PolarHBondContact O-N 3.14Å; E72-H74 VanDerWaalsContact C-N 3.34Å; E72-H74 PolarHBondContact O-N 3.4Å; H74-A78 WeakPolarHBondContact O-CB 3.38Å; H74-A78 PolarHBondContact O-N 3.3Å
75R97.1Very high96.4Very high156 Ų15651.4 Ų51.459%0.58925%0.251SS*.Hα-helixtrans-64.6-45.8174.6-74.4174.3179.4177.90.2111.8L71 E72 E73 A78 I79L71-R75 WeakPolarHBondContact O-CG 3.25Å; L71-R75 PolarHBondContact O-N 3.14Å; L71-R75 VanDerWaalsContact O-N 3.09Å; E72-R75 PolarHBondContact O-N 3.13Å; E73-R75 VanDerWaalsContact C-N 3.33Å; E73-R75 PolarHBondContact O-N 3.18Å; R75-A78 PolarHBondContact O-N 3.08Å; R75-I79 VanDerWaalsContact O-CD1 3.31Å; R75-I79 WeakPolarHBondContact O-CD1 3.31Å; R75-I79 VanDerWaalsContact O-CG1 3.29Å; R75-I79 WeakPolarHBondContact O-CG1 3.15Å; R75-I79 PolarHBondContact O-N 3.32Å
76K97.4Very high96.4Very high14 Ų1443.9 Ų43.96%0.06122%0.222CC..Hα-helixtrans-61.4-45178.9-72.2173.8-167.7163.80111.8Y43 E72 E73 I79 C80 A143 L144Y43-K76 HydrophobicContact CE2-CB 4.32Å; Y43-K76 WeakPolarHBondContact OH-CB 3.25Å; Y43-K76 WeakPolarHBondContact OH-CD 3.43Å; E72-K76 WeakPolarHBondContact O-CG 3.07Å; E72-K76 PolarHBondContact O-N 3.49Å; E73-K76 PolarHBondContact O-N 3.04Å; E73-K76 IonicContact OE1-NZ 3.98Å; E73-K76 PolarHBondContact OE1-NZ 3.02Å; K76-I79 PolarHBondContact O-N 2.76Å; K76-C80 PolarHBondContact O-N 3.34Å; K76-C80 PolarHBondContact O-SG 3.4Å; K76-A143 HydrophobicContact CG-CB 4.26Å; K76-L144 HydrophobicContact CB-CD2 4.15Å; K76-L144 HydrophobicContact CD-CD2 4.49Å; K76-L144 HydrophobicContact CG-CD2 4.23Å
77I97.3Very high96.5Very high0 Ų039.4 Ų39.40%020%0.203CC..Hα-helixtrans-63.8-45.8177.1-69.6165.4000110.3I34 Y43 L51 F54 M61 L69 E73 I79 C80 V81I34-I77 HydrophobicContact CD1-CD1 4Å; I34-I77 HydrophobicContact CG1-CD1 4.06Å; Y43-I77 HydrophobicContact CE2-CG1 4Å; L51-I77 HydrophobicContact CD2-CG2 4.02Å; F54-I77 HydrophobicContact CB-CG2 4.21Å; F54-I77 HydrophobicContact CD2-CD1 4.13Å; F54-I77 HydrophobicContact CD2-CG2 4.28Å; F54-I77 HydrophobicContact CE2-CD1 4.1Å; F54-I77 HydrophobicContact CG-CG2 4.48Å; M61-I77 HydrophobicContact CE-CB 4.31Å; M61-I77 HydrophobicContact CE-CG2 3.64Å; M61-I77 HydrophobicContact SD-CG2 4.01Å; L69-I77 HydrophobicContact CD1-CD1 3.61Å; L69-I77 HydrophobicContact CD2-CD1 4.08Å; E73-I77 WeakPolarHBondContact O-CB 3.43Å; E73-I77 WeakPolarHBondContact O-CG1 3.33Å; E73-I77 PolarHBondContact O-N 3.48Å; I77-I79 VanDerWaalsContact C-N 3.26Å; I77-I79 PolarHBondContact O-N 2.53Å; I77-C80 CarbonylContact O-C 3.52Å; I77-C80 WeakPolarHBondContact O-CA 3.44Å; I77-C80 WeakPolarHBondContact O-CB 3.41Å; I77-C80 PolarHBondContact O-N 3.27Å; I77-V81 HydrophobicContact CG2-CG2 4.17Å; I77-V81 WeakPolarHBondContact O-CG2 3.35Å; I77-V81 PolarHBondContact O-N 2.87Å
78A97.6Very high96.5Very high23 Ų2341.1 Ų41.119%0.1922%0.224CC..Hα-helixtrans-56.9-40.9176.800000112.3M61 H74 R75 Q82M61-A78 HydrophobicContact CG-CB 4.39Å; H74-A78 WeakPolarHBondContact O-CB 3.38Å; H74-A78 PolarHBondContact O-N 3.3Å; R75-A78 PolarHBondContact O-N 3.08Å; A78-Q82 VanDerWaalsContact O-CG 3.31Å; A78-Q82 WeakPolarHBondContact O-CG 3.37Å; A78-Q82 PolarHBondContact O-N 3.15Å
79I97.3Very high96.6Very high26 Ų2642.3 Ų42.313%0.13322%0.221CC..Hα-helixtrans-65.5-43.3174.4-69.9157000111.4R75 K76 I77 Q82 M83 H141 A143R75-I79 VanDerWaalsContact O-CD1 3.31Å; R75-I79 WeakPolarHBondContact O-CD1 3.31Å; R75-I79 VanDerWaalsContact O-CG1 3.29Å; R75-I79 WeakPolarHBondContact O-CG1 3.15Å; R75-I79 PolarHBondContact O-N 3.32Å; K76-I79 PolarHBondContact O-N 2.76Å; I77-I79 VanDerWaalsContact C-N 3.26Å; I77-I79 PolarHBondContact O-N 2.53Å; I79-Q82 PolarHBondContact O-N 2.83Å; I79-M83 HydrophobicContact CG2-CE 3.82Å; I79-M83 HydrophobicContact CG2-SD 4.48Å; I79-M83 WeakPolarHBondContact O-CG 3.26Å; I79-M83 PolarHBondContact O-N 2.74Å; I79-H141 WeakPolarHBondContact CD1-CE1 3.44Å; I79-H141 HydrophobicContact CG2-CB 3.54Å; I79-H141 VanDerWaalsContact CG2-CG 3.46Å; I79-A143 HydrophobicContact CD1-CB 3.8Å
80C97.5Very high96.5Very high0 Ų042.5 Ų42.50%022%0.222CC..Hα-helixtrans-61.6-44.6177.1-680000111.6L51 K76 I77 Q82 M83 A84L51-C80 HydrophobicContact CD1-CB 4.07Å; L51-C80 HydrophobicContact CD2-CB 3.68Å; K76-C80 PolarHBondContact O-N 3.34Å; K76-C80 PolarHBondContact O-SG 3.4Å; I77-C80 CarbonylContact O-C 3.52Å; I77-C80 WeakPolarHBondContact O-CA 3.44Å; I77-C80 WeakPolarHBondContact O-CB 3.41Å; I77-C80 PolarHBondContact O-N 3.27Å; C80-Q82 PolarHBondContact O-N 3.49Å; C80-M83 PolarHBondContact O-N 3.24Å; C80-A84 WeakPolarHBondContact O-CB 3.49Å; C80-A84 PolarHBondContact O-N 2.85Å
81V97.4Very high96.4Very high5 Ų543.7 Ų43.73%0.0323%0.229CC..Hα-helixtrans-58.1-47.5174.6169.70000110.5L51 I55 M61 I77 M83 A84 H85L51-V81 HydrophobicContact CB-CG2 4.24Å; L51-V81 HydrophobicContact CD2-CG2 4.14Å; I55-V81 HydrophobicContact CG2-CB 4.34Å; I55-V81 HydrophobicContact CG2-CG1 3.69Å; I55-V81 HydrophobicContact CG2-CG2 3.63Å; M61-V81 HydrophobicContact SD-CG2 4.24Å; I77-V81 HydrophobicContact CG2-CG2 4.17Å; I77-V81 WeakPolarHBondContact O-CG2 3.35Å; I77-V81 PolarHBondContact O-N 2.87Å; V81-M83 VanDerWaalsContact C-N 3.34Å; V81-M83 PolarHBondContact O-N 2.85Å; V81-A84 PolarHBondContact O-N 3.26Å; V81-H85 PolarHBondContact O-CD2 2.82Å; V81-H85 PolarHBondContact O-N 2.99Å
82Q96.4Very high96.3Very high99 Ų9946.3 Ų46.346%0.46324%0.243SC..Hα-helixtrans-59.9-42.4176.3-73.21765.200112.6A78 I79 C80 R86A78-Q82 VanDerWaalsContact O-CG 3.31Å; A78-Q82 WeakPolarHBondContact O-CG 3.37Å; A78-Q82 PolarHBondContact O-N 3.15Å; I79-Q82 PolarHBondContact O-N 2.83Å; C80-Q82 PolarHBondContact O-N 3.49Å; Q82-R86 WeakPolarHBondContact O-CD 3.43Å; Q82-R86 VanDerWaalsContact O-CG 3.26Å; Q82-R86 WeakPolarHBondContact O-CG 3.1Å; Q82-R86 PolarHBondContact O-N 2.82Å
83M97.3Very high96.2Very high2 Ų242.3 Ų42.31%0.0123%0.225CC..Hα-helixtrans-66.1-40.1175.8-71.6-171.7-6300111.9Y45 I79 C80 V81 R86 A87 H141 L144Y45-M83 HydrophobicContact CD2-CB 4.5Å; Y45-M83 HydrophobicContact CG-CB 4.16Å; I79-M83 HydrophobicContact CG2-CE 3.82Å; I79-M83 HydrophobicContact CG2-SD 4.48Å; I79-M83 WeakPolarHBondContact O-CG 3.26Å; I79-M83 PolarHBondContact O-N 2.74Å; C80-M83 PolarHBondContact O-N 3.24Å; V81-M83 VanDerWaalsContact C-N 3.34Å; V81-M83 PolarHBondContact O-N 2.85Å; M83-R86 PolarHBondContact O-N 3.18Å; M83-A87 VanDerWaalsContact O-CB 3.31Å; M83-A87 WeakPolarHBondContact O-CB 3.31Å; M83-A87 PolarHBondContact O-N 2.92Å; M83-H141 HydrophobicContact CE-CB 4.45Å; M83-H141 HydrophobicContact SD-CB 4.4Å; M83-L144 HydrophobicContact CE-CD1 3.7Å
84A97.4Very high95.9Very high0 Ų048.7 Ų48.70%025%0.252CS..Hα-helixtrans-65-44.1179.100000112.1L51 C80 V81 R86 A87 G88 L89 L90L51-A84 HydrophobicContact CD1-CB 4.1Å; C80-A84 WeakPolarHBondContact O-CB 3.49Å; C80-A84 PolarHBondContact O-N 2.85Å; V81-A84 PolarHBondContact O-N 3.26Å; A84-R86 PolarHBondContact O-N 3.31Å; A84-A87 CarbonylContact O-C 3.47Å; A84-A87 PolarHBondContact O-N 3.27Å; A84-G88 PolarHBondContact O-N 3.04Å; A84-L89 HydrophobicContact CB-CB 4.36Å; A84-L89 HydrophobicContact CB-CD1 4.33Å; A84-L89 PolarHBondContact O-N 3.02Å; A84-L90 HydrophobicContact CB-CD1 4.07Å
85H96.1Very high95.7Very high62 Ų6251.4 Ų51.429%0.28727%0.273SS..Hα-helixtrans-60.4-45173.7-80-65.9000112G59 V81 A87 G88 H93G59-H85 PolarHBondContact O-NE2 3.02Å; G59-H85 VanDerWaalsContact O-NE2 3.15Å; V81-H85 PolarHBondContact O-CD2 2.82Å; V81-H85 PolarHBondContact O-N 2.99Å; H85-A87 VanDerWaalsContact C-N 3.27Å; H85-A87 PolarHBondContact O-N 3.38Å; H85-G88 PolarHBondContact O-N 3.21Å; H85-G88 VanDerWaalsContact O-N 3.12Å; H85-H93 PolarHBondContact CE1-O 3.39Å
86R95.3Very high95.3Very high60 Ų6052.5 Ų52.523%0.22628%0.282CS..Hα-helixtrans-66.1-31.6178-68.5169.8-172.8154.71.1112.5Q82 M83 A84 G88 R112 T115 R116Q82-R86 WeakPolarHBondContact O-CD 3.43Å; Q82-R86 VanDerWaalsContact O-CG 3.26Å; Q82-R86 WeakPolarHBondContact O-CG 3.1Å; Q82-R86 PolarHBondContact O-N 2.82Å; M83-R86 PolarHBondContact O-N 3.18Å; A84-R86 PolarHBondContact O-N 3.31Å; R86-G88 VanDerWaalsContact C-N 3.29Å; R86-R112 VanDerWaalsContact O-CD 3.26Å; R86-R112 WeakPolarHBondContact O-CD 3.2Å; R86-R112 WeakPolarHBondContact O-CG 3.36Å; R86-T115 WeakPolarHBondContact CB-OG1 3.26Å; R86-T115 VanDerWaalsContact CD-OG1 3.25Å; R86-T115 WeakPolarHBondContact CD-OG1 3.31Å; R86-T115 PolarHBondContact NH1-O 3.47Å; R86-R116 PolarHBondContact NH1-O 3.21Å
87A96.1Very high94.9Very high26 Ų2657.3 Ų57.322%0.21531%0.308CS..Hα-helixtrans-78.9-10.4175.600000113.5Y45 M83 A84 H85 L89 R112Y45-A87 HydrophobicContact CE2-CB 4.33Å; M83-A87 VanDerWaalsContact O-CB 3.31Å; M83-A87 WeakPolarHBondContact O-CB 3.31Å; M83-A87 PolarHBondContact O-N 2.92Å; A84-A87 CarbonylContact O-C 3.47Å; A84-A87 PolarHBondContact O-N 3.27Å; H85-A87 VanDerWaalsContact C-N 3.27Å; H85-A87 PolarHBondContact O-N 3.38Å; A87-L89 HydrophobicContact CB-CD1 4.39Å; A87-L89 HydrophobicContact CB-CG 4.11Å; A87-R112 WeakPolarHBondContact CA-O 3.34Å
88G95Very high94.7Very high54 Ų5461.7 Ų61.756%0.55734%0.336SS*.THydrogen-bonded Turntrans78.921179.900000114.6A84 H85 R86 L90A84-G88 PolarHBondContact O-N 3.04Å; H85-G88 PolarHBondContact O-N 3.21Å; H85-G88 VanDerWaalsContact O-N 3.12Å; R86-G88 VanDerWaalsContact C-N 3.29Å; G88-L90 VanDerWaalsContact C-N 3.33Å
89L96.7Very high94.3Very high67 Ų6770.3 Ų70.335%0.35137%0.373SS..  trans-79.1-13.9-177.6-61.6177.4000114.2Y45 V48 A84 A87 P91Y45-L89 HydrophobicContact CD2-CD1 3.85Å; Y45-L89 HydrophobicContact CE2-CD1 4.08Å; Y45-L89 WeakPolarHBondContact O-CD1 3.27Å; V48-L89 HydrophobicContact CG2-CB 3.86Å; V48-L89 HydrophobicContact CG2-CD1 4.36Å; A84-L89 HydrophobicContact CB-CB 4.36Å; A84-L89 HydrophobicContact CB-CD1 4.33Å; A84-L89 PolarHBondContact O-N 3.02Å; A87-L89 HydrophobicContact CB-CD1 4.39Å; A87-L89 HydrophobicContact CB-CG 4.11Å; L89-P91 VanDerWaalsContact C-CD 3.44Å; L89-P91 VanDerWaalsContact O-CD 3.29Å; L89-P91 WeakPolarHBondContact O-CD 3.5Å
90L95.2Very high93.9Very high7 Ų772.5 Ų72.54%0.03740%0.402CS..  trans-11973.5-176.6-71.4167000110V48 I55 A84 G88 H93V48-L90 HydrophobicContact CG1-CD2 3.54Å; V48-L90 HydrophobicContact CG1-CG 4.38Å; I55-L90 HydrophobicContact CD1-CD1 3.87Å; I55-L90 HydrophobicContact CD1-CD2 3.87Å; I55-L90 HydrophobicContact CD1-CG 4.49Å; A84-L90 HydrophobicContact CB-CD1 4.07Å; G88-L90 VanDerWaalsContact C-N 3.33Å; L90-H93 HydrophobicContact CB-CB 4.28Å
91P93.3Very high93.4Very high72 Ų7277.3 Ų77.347%0.46842%0.424SS..SBendtrans-70.7-34-176.527.7-34.3000113.3L89 H93 K94L89-P91 VanDerWaalsContact C-CD 3.44Å; L89-P91 VanDerWaalsContact O-CD 3.29Å; L89-P91 WeakPolarHBondContact O-CD 3.5Å; P91-H93 VanDerWaalsContact C-N 3.34Å; P91-K94 WeakPolarHBondContact O-CD 3.32Å; P91-K94 VanDerWaalsContact O-CE 3.29Å; P91-K94 WeakPolarHBondContact O-CE 3.26Å; P91-K94 WeakPolarHBondContact O-CG 3.1Å
92D93.1Very high92.9Very high141 Ų14182.7 Ų82.775%0.75446%0.456SS*.SBendtrans-79.4-19.9-176.1-54.9-36.2000112.6K94D92-K94 PolarHBondContact O-N 3.48Å
93H93.3Very high92.4Very high42 Ų4282.1 Ų82.119%0.19446%0.461CS..  trans-97.163.9-178.3-61.4-92.4000111.2I55 T56 S57 H85 L90 P91I55-H93 HydrophobicContact CD1-CB 4.07Å; I55-H93 WeakPolarHBondContact CD1-ND1 3.34Å; T56-H93 PolarHBondContact O-ND1 2.96Å; S57-H93 VanDerWaalsContact O-CA 3.31Å; S57-H93 WeakPolarHBondContact O-CA 3.49Å; H85-H93 PolarHBondContact CE1-O 3.39Å; L90-H93 HydrophobicContact CB-CB 4.28Å; P91-H93 VanDerWaalsContact C-N 3.34Å
94K90.9Very high91.7Very high133 Ų13392.1 Ų92.158%0.57850%0.504SS*.  trans-114.1147.3177.2-72174.4-173164.70110.1P91 D92 K96P91-K94 WeakPolarHBondContact O-CD 3.32Å; P91-K94 VanDerWaalsContact O-CE 3.29Å; P91-K94 WeakPolarHBondContact O-CE 3.26Å; P91-K94 WeakPolarHBondContact O-CG 3.1Å; D92-K94 PolarHBondContact O-N 3.48Å; K94-K96 PolarHBondContact O-N 2.92Å
95P91.3Very high91.1Very high90 Ų90102.2 Ų102.258%0.58454%0.543SS*.PPolyproline II helixtrans-60.5133.3172.926.7-34000109.4L97P95-L97 PolarHBondContact O-N 3.32Å
96K89.5Confident90.5Very high179 Ų179105.4 Ų105.478%0.77857%0.569SS**PPolyproline II helixtrans-64.6121.8175-64.2-179.9-177.6179.30108.8K94K94-K96 PolarHBondContact O-N 2.92Å
97L89.4Confident90.1Very high116 Ų116110.2 Ų110.261%0.60759%0.591SS**PPolyproline II helixtrans-83.1149.6174.5-65.8169.9000109.2P95 H101P95-L97 PolarHBondContact O-N 3.32Å; L97-H101 HydrophobicContact CB-CB 4.12Å
98P92.3Very high89.8Confident92 Ų92113.8 Ų113.860%0.59761%0.612SS**PPolyproline II helixtrans-63.5153174.325.4-30.1000110.4G100 H101P98-G100 PolarHBondContact O-N 3.19Å; P98-H101 HydrophobicContact CG-CB 4.07Å; P98-H101 VanDerWaalsContact O-CB 3.26Å; P98-H101 WeakPolarHBondContact O-CB 3.42Å; P98-H101 PolarHBondContact O-N 2.92Å; P98-H101 VanDerWaalsContact O-N 3.11Å
99E90.4Very high89.5Confident204 Ų204120.4 Ų120.495%0.95363%0.629SS**THydrogen-bonded Turntrans-57.5132.9-179.9-164.7169.3-171.600110.8H101E99-H101 VanDerWaalsContact C-N 3.35Å; E99-H101 PolarHBondContact O-N 3.37Å
100G88.3Confident89.4Confident72 Ų72122.3 Ų122.374%0.74264%0.639SS**THydrogen-bonded Turntrans77.97.8-176.900000115.9P98 V102P98-G100 PolarHBondContact O-N 3.19Å; G100-V102 PolarHBondContact O-N 3.19Å
101H87.4Confident89.4Confident101 Ų101130 Ų13047%0.46868%0.68SS.*  trans-69.9105.1177.9-172.580.4000112.7L97 P98 E99L97-H101 HydrophobicContact CB-CB 4.12Å; P98-H101 HydrophobicContact CG-CB 4.07Å; P98-H101 VanDerWaalsContact O-CB 3.26Å; P98-H101 WeakPolarHBondContact O-CB 3.42Å; P98-H101 PolarHBondContact O-N 2.92Å; P98-H101 VanDerWaalsContact O-N 3.11Å; E99-H101 VanDerWaalsContact C-N 3.35Å; E99-H101 PolarHBondContact O-N 3.37Å
102V86.4Confident89.5Confident118 Ų118130 Ų13072%0.71567%0.671SS**  trans-99.7127.7169.9-176.30000109.7G100 K104G100-V102 PolarHBondContact O-N 3.19Å; V102-K104 PolarHBondContact O-N 3.26Å
103P84.9Confident89.6Confident86 Ų86131.1 Ų131.156%0.55867%0.665SS**  trans-59.5127.3175.7-21.531.5000111.4R105P103-R105 PolarHBondContact O-N 3.45Å; P103-R105 VanDerWaalsContact O-N 3.13Å
104K83.3Confident89.8Confident212 Ų212131.4 Ų131.492%0.92267%0.668SS**SBendtrans-59-26.7-179.9-68.5-176.1177.9-1780114.2V102V102-K104 PolarHBondContact O-N 3.26Å
105R84Confident90Very high212 Ų212126.5 Ų126.580%0.865%0.649SS**SBendtrans-140.6125.6179.1-64.9-176.9-177.1173.10.2109.5P103 K107P103-R105 PolarHBondContact O-N 3.45Å; P103-R105 VanDerWaalsContact O-N 3.13Å; R105-K107 PolarHBondContact O-N 3.21Å
106P85.3Confident90.2Very high129 Ų129125 Ų12584%0.83863%0.632SS**PPolyproline II helixtrans-65.6124.817327.2-32000108.9
107K85.7Confident90.5Very high162 Ų162123 Ų12370%0.70462%0.62SS**PPolyproline II helixtrans-85.1137.3173.2-67.5-175.3179.7-173.20108.7R105 Q109R105-K107 PolarHBondContact O-N 3.21Å; K107-Q109 PolarHBondContact O-N 3.42Å
108P89.8Confident90.7Very high101 Ų101120 Ų12066%0.65661%0.609SS**PPolyproline II helixtrans-61.9135.2173.726.2-33.5000110L110P108-L110 HydrophobicContact CB-CG 4.38Å; P108-L110 PolarHBondContact O-N 3.3Å
109Q89Confident90.6Very high192 Ų192119.8 Ų119.890%0.89760%0.602SS**  trans-81.499.3177.1-64-176.28.700109K107K107-Q109 PolarHBondContact O-N 3.42Å
110L93.6Very high90.5Very high108 Ų108116.4 Ų116.457%0.56559%0.59SS**  trans-108.4114.8180-59.2177000110.1P108 R112P108-L110 HydrophobicContact CB-CG 4.38Å; P108-L110 PolarHBondContact O-N 3.3Å; L110-R112 PolarHBondContact O-N 3.09Å; L110-R112 PolarHBondContact O-NE 3.2Å
111N95.8Very high90.8Very high169 Ų169116.6 Ų116.690%0.90458%0.58SS**  trans-60.9129.9174.6-64.7-22.5000110.1
112R95.4Very high91.2Very high71 Ų71115.9 Ų115.927%0.26858%0.582SS.*  trans-150.7153.7-176.566.6-172.469.7-151.710110.7R86 A87 L110 T115R86-R112 VanDerWaalsContact O-CD 3.26Å; R86-R112 WeakPolarHBondContact O-CD 3.2Å; R86-R112 WeakPolarHBondContact O-CG 3.36Å; A87-R112 WeakPolarHBondContact CA-O 3.34Å; L110-R112 PolarHBondContact O-N 3.09Å; L110-R112 PolarHBondContact O-NE 3.2Å; R112-T115 HydrophobicContact CB-CG2 3.86Å; R112-T115 HydrophobicContact CG-CG2 4.05Å
113Y96.4Very high91.6Very high164 Ų164118.9 Ų118.964%0.64359%0.586SS**  trans-152.1163.6177.259.6-88000109.7T115Y113-T115 PolarHBondContact O-N 3.46Å; Y113-T115 VanDerWaalsContact O-N 3.07Å
114L95.6Very high92.1Very high49 Ų49118.7 Ų118.726%0.25759%0.585SS.*SBendtrans5232.2-178.8-71.1167000113.9Y45 R116 V139 G140Y45-L114 HydrophobicContact CD1-CD2 3.81Å; Y45-L114 HydrophobicContact CE1-CD2 3.31Å; Y45-L114 HydrophobicContact CE1-CG 3.64Å; L114-R116 PolarHBondContact O-N 3.14Å; L114-V139 HydrophobicContact CB-CG1 3.73Å; L114-V139 HydrophobicContact CD1-CG1 4.08Å; L114-G140 PolarHBondContact O-N 3Å
115T95.8Very high92.7Very high29 Ų29112 Ų11218%0.17856%0.558CS.*  trans-83.9112-173.652.90000111.9R86 R112 Y113R86-T115 WeakPolarHBondContact CB-OG1 3.26Å; R86-T115 VanDerWaalsContact CD-OG1 3.25Å; R86-T115 WeakPolarHBondContact CD-OG1 3.31Å; R86-T115 PolarHBondContact NH1-O 3.47Å; R112-T115 HydrophobicContact CB-CG2 3.86Å; R112-T115 HydrophobicContact CG-CG2 4.05Å; Y113-T115 PolarHBondContact O-N 3.46Å; Y113-T115 VanDerWaalsContact O-N 3.07Å
116R95.2Very high93.3Very high60 Ų60111.8 Ų111.823%0.22656%0.559CS.*  trans-74-43.2-176.8-170.7177-176.4180-0.9114.1R86 L114 D138 G140 P142R86-R116 PolarHBondContact NH1-O 3.21Å; L114-R116 PolarHBondContact O-N 3.14Å; R116-D138 IonicContact NH1-OD2 2.82Å; R116-G140 WeakPolarHBondContact CB-O 3.45Å; R116-G140 WeakPolarHBondContact CD-O 3.48Å; R116-P142 VanDerWaalsContact CZ-CD 3.49Å
117W95.5Very high93.8Very high135 Ų135114.1 Ų114.151%0.51156%0.556SS.*SBendtrans-103.7159.2-171.2-61.3116000111.6V122 D138W117-V122 HydrophobicContact CB-CG2 3.38Å; W117-V122 HydrophobicContact CG-CG2 4.09Å; W117-D138 PolarHBondContact NE1-OD2 2.8Å
118S94.1Very high94.2Very high55 Ų55114.4 Ų114.439%0.38555%0.553SS.*  trans-68142.7170.3-174.30000109.9D120 S121S118-D120 VanDerWaalsContact C-N 3.28Å; S118-D120 PolarHBondContact O-N 3.12Å; S118-S121 PolarHBondContact N-OG 3.21Å; S118-S121 PolarHBondContact O-N 3.36Å; S118-S121 VanDerWaalsContact O-N 3.16Å; S118-S121 PolarHBondContact O-OG 2.83Å
119I90.4Very high94.4Very high86 Ų86112 Ų11244%0.44155%0.545SS..G310 helixtrans-57.7-45.6-174.5-48176000110.4S121I119-S121 VanDerWaalsContact C-N 3.26Å; I119-S121 PolarHBondContact O-N 3.07Å
120D89.6Confident94.8Very high134 Ų134107.8 Ų107.872%0.71753%0.529SS*.G310 helixtrans-79-11.8-173-56.9-28000112.6S118S118-D120 VanDerWaalsContact C-N 3.28Å; S118-D120 PolarHBondContact O-N 3.12Å
121S94.4Very high94.8Very high76 Ų76111.9 Ų111.953%0.53154%0.542SS..G310 helixtrans-91.3-16.2-17964.60000114.6S118 I119S118-S121 PolarHBondContact N-OG 3.21Å; S118-S121 PolarHBondContact O-N 3.36Å; S118-S121 VanDerWaalsContact O-N 3.16Å; S118-S121 PolarHBondContact O-OG 2.83Å; I119-S121 VanDerWaalsContact C-N 3.26Å; I119-S121 PolarHBondContact O-N 3.07Å
122V94.4Very high94.7Very high85 Ų85113.9 Ų113.952%0.51554%0.537SS..PPolyproline II helixtrans-92128-172.5179.10000110.3W117W117-V122 HydrophobicContact CB-CG2 3.38Å; W117-V122 HydrophobicContact CG-CG2 4.09Å
123K95.4Very high94.7Very high182 Ų182113.9 Ų113.979%0.79155%0.547SS*.PPolyproline II helixtrans-94.1145.6172.4-65.2-176.6-178.9-179.30110.9
124P96.2Very high94.6Very high82 Ų82110.9 Ų110.953%0.53254%0.537SS..PPolyproline II helixtrans-65.3145.4176.627.3-34.7000111.9Y126P124-Y126 HydrophobicContact CG-CE1 4.2Å; P124-Y126 HydrophobicContact CG-CE2 3.75Å; P124-Y126 WeakPolarHBondContact CG-OH 3.34Å; P124-Y126 PolarHBondContact O-N 2.72Å
125I95.1Very high94.6Very high71 Ų71115 Ų11536%0.36455%0.553SS.*  trans-86.594.1175.7-57.1173.2000108.6K127 R128 K135 M137I125-K127 WeakPolarHBondContact CG2-O 3.29Å; I125-R128 HydrophobicContact CG2-CG 4.23Å; I125-K135 HydrophobicContact CD1-CB 4.31Å; I125-K135 HydrophobicContact CG2-CB 4.11Å; I125-K135 HydrophobicContact CG2-CD 4.22Å; I125-M137 HydrophobicContact CD1-CG 4.35Å
126Y95.9Very high94.6Very high207 Ų207120 Ų12081%0.81257%0.569SS**SBendtrans-68-39.2177.8-64.2-75.1000113.1P124P124-Y126 HydrophobicContact CG-CE1 4.2Å; P124-Y126 HydrophobicContact CG-CE2 3.75Å; P124-Y126 WeakPolarHBondContact CG-OH 3.34Å; P124-Y126 PolarHBondContact O-N 2.72Å
127K95.7Very high94.6Very high178 Ų178122.6 Ų122.677%0.77459%0.585SS**  trans-116.7106.8179.3-63-175.7-178-1780109.8I125I125-K127 WeakPolarHBondContact CG2-O 3.29Å
128R94.3Very high94.6Very high169 Ų169118.7 Ų118.764%0.63857%0.574SS**  trans-75.1-25.9-177.7-68.2-178.3179.7-179.4-1.2113.7I125 K134 K135I125-R128 HydrophobicContact CG2-CG 4.23Å; R128-K134 CarbonylContact O-C 3.57Å; R128-K134 WeakPolarHBondContact O-CA 3.25Å; R128-K135 PolarHBondContact O-N 3.06Å
129G95.1Very high94.7Very high49 Ų49118.2 Ų118.251%0.50557%0.569SS.*  trans81.8170-175.300000113.3
130L96.3Very high94.9Very high104 Ų104114.4 Ų114.455%0.54555%0.551SS.*  trans-76.3170.8178.6-61.8169.1000110.8W132 C133 K134L130-W132 VanDerWaalsContact C-N 3.25Å; L130-W132 HydrophobicContact CB-CD2 4.06Å; L130-W132 HydrophobicContact CB-CE3 4.13Å; L130-W132 HydrophobicContact CB-CH2 3.83Å; L130-W132 HydrophobicContact CB-CZ2 3.74Å; L130-W132 HydrophobicContact CB-CZ3 4.01Å; L130-W132 HydrophobicContact CD1-CH2 3.49Å; L130-W132 VanDerWaalsContact CD1-CH2 3.49Å; L130-W132 HydrophobicContact CD1-CZ2 3.21Å; L130-W132 HydrophobicContact CD1-CZ3 4.47Å; L130-W132 HydrophobicContact CG-CH2 4.17Å; L130-W132 HydrophobicContact CG-CZ2 4.07Å; L130-W132 PolarHBondContact O-N 2.83Å; L130-W132 VanDerWaalsContact O-N 3.11Å; L130-C133 PolarHBondContact N-SG 3.31Å; L130-C133 VanDerWaalsContact N-SG 3.43Å; L130-C133 CarbonylContact O-C 3.54Å; L130-C133 PolarHBondContact O-N 3.48Å; L130-K134 WeakPolarHBondContact O-CA 3.39Å; L130-K134 WeakPolarHBondContact O-CB 3.19Å; L130-K134 PolarHBondContact O-N 3.09Å
131K94.8Very high95.2Very high195 Ų195110.1 Ų110.185%0.84853%0.526SS*.G310 helixtrans-52.5-39.1-172.4-174.8178176.1-1770113.7
132W93.8Very high95.2Very high211 Ų211108.6 Ų108.680%0.79952%0.515SS*.G310 helixtrans-82.3-18.2-17855.791.9000114.6L130L130-W132 VanDerWaalsContact C-N 3.25Å; L130-W132 HydrophobicContact CB-CD2 4.06Å; L130-W132 HydrophobicContact CB-CE3 4.13Å; L130-W132 HydrophobicContact CB-CH2 3.83Å; L130-W132 HydrophobicContact CB-CZ2 3.74Å; L130-W132 HydrophobicContact CB-CZ3 4.01Å; L130-W132 HydrophobicContact CD1-CH2 3.49Å; L130-W132 VanDerWaalsContact CD1-CH2 3.49Å; L130-W132 HydrophobicContact CD1-CZ2 3.21Å; L130-W132 HydrophobicContact CD1-CZ3 4.47Å; L130-W132 HydrophobicContact CG-CH2 4.17Å; L130-W132 HydrophobicContact CG-CZ2 4.07Å; L130-W132 PolarHBondContact O-N 2.83Å; L130-W132 VanDerWaalsContact O-N 3.11Å
133C94.4Very high95.2Very high71 Ų71106 Ų10648%0.4850%0.503SS..G310 helixtrans-123.425.9179.362.50000112.3L130 K135L130-C133 PolarHBondContact N-SG 3.31Å; L130-C133 VanDerWaalsContact N-SG 3.43Å; L130-C133 CarbonylContact O-C 3.54Å; L130-C133 PolarHBondContact O-N 3.48Å; C133-K135 PolarHBondContact O-N 3.14Å
134K95.4Very high95.1Very high100 Ų10097.9 Ų97.944%0.43547%0.467SS..  trans-65.8123.6-173.5-170.8177.6-179.2-175.50111.1R128 L130 R136R128-K134 CarbonylContact O-C 3.57Å; R128-K134 WeakPolarHBondContact O-CA 3.25Å; L130-K134 WeakPolarHBondContact O-CA 3.39Å; L130-K134 WeakPolarHBondContact O-CB 3.19Å; L130-K134 PolarHBondContact O-N 3.09Å; K134-R136 PolarHBondContact O-N 3.14Å
135K95.3Very high94.9Very high136 Ų136102 Ų10259%0.59147%0.472SS*.  trans-74.1103.6169.7-65.1-175.2-178.8-179.30109.4I125 R128 C133I125-K135 HydrophobicContact CD1-CB 4.31Å; I125-K135 HydrophobicContact CG2-CB 4.11Å; I125-K135 HydrophobicContact CG2-CD 4.22Å; R128-K135 PolarHBondContact O-N 3.06Å; C133-K135 PolarHBondContact O-N 3.14Å
136R95.1Very high94.8Very high133 Ų133103 Ų10350%0.50248%0.478SS..PPolyproline II helixtrans-84.7156.6178.5-67.1-174.8-176.8-101.510.2111.8K134 K158 H159K134-R136 PolarHBondContact O-N 3.14Å; R136-K158 HydrophobicContact CB-CB 3.96Å; R136-H159 CarbonylContact C-O 3.6Å; R136-H159 WeakPolarHBondContact CA-O 3.42Å; R136-H159 WeakPolarHBondContact CB-O 3.22Å; R136-H159 PolarHBondContact NH1-OXT 3.3Å
137M95.8Very high94.8Very high116 Ų11694.4 Ų94.457%0.57145%0.447SS*.PPolyproline II helixtrans-91.2133.9176.2-64.2178.1-67.100109.9I125 K158 H159I125-M137 HydrophobicContact CD1-CG 4.35Å; M137-K158 CarbonylContact O-C 3.42Å; M137-K158 WeakPolarHBondContact O-CA 3.49Å; M137-H159 PolarHBondContact N-O 3.43Å; M137-H159 PolarHBondContact O-N 2.84Å
138D95.3Very high94.7Very high53 Ų5389.4 Ų89.428%0.28343%0.431SS..BIsolated β-bridgetrans-77.8129.7175.5-65.3-47.4000110.6R116 W117 I157R116-D138 IonicContact NH1-OD2 2.82Å; W117-D138 PolarHBondContact NE1-OD2 2.8Å; D138-I157 CarbonylContact C-O 3.58Å; D138-I157 WeakPolarHBondContact CA-O 3.34Å
139V95.5Very high94.6Very high45 Ų4586.4 Ų86.427%0.27342%0.419SS..  trans-129.7124.7175.5-177.20000108.8L114 I157 H159L114-V139 HydrophobicContact CB-CG1 3.73Å; L114-V139 HydrophobicContact CD1-CG1 4.08Å; V139-I157 PolarHBondContact N-O 2.59Å; V139-I157 WeakPolarHBondContact O-CA 3.37Å; V139-I157 WeakPolarHBondContact O-CG2 3.46Å; V139-H159 VanDerWaalsContact CG2-CD2 3.46Å; V139-H159 WeakPolarHBondContact CG2-CD2 3.36Å
140G94.8Very high94.5Very high6 Ų694.1 Ų94.16%0.06244%0.435CS..SBendtrans76.5-166.7-173.100000113.3L114 R116L114-G140 PolarHBondContact O-N 3Å; R116-G140 WeakPolarHBondContact CB-O 3.45Å; R116-G140 WeakPolarHBondContact CD-O 3.48Å
141H95.6Very high94.4Very high43 Ų4391.4 Ų91.420%0.19943%0.432CS..  trans-129.8134.2-176.7-163-80.8000112.3I79 M83 A143 L144I79-H141 WeakPolarHBondContact CD1-CE1 3.44Å; I79-H141 HydrophobicContact CG2-CB 3.54Å; I79-H141 VanDerWaalsContact CG2-CG 3.46Å; M83-H141 HydrophobicContact CE-CB 4.45Å; M83-H141 HydrophobicContact SD-CB 4.4Å; H141-A143 WeakPolarHBondContact ND1-CB 3.39Å; H141-A143 PolarHBondContact ND1-N 2.82Å; H141-A143 PolarHBondContact O-N 3.24Å; H141-A143 VanDerWaalsContact O-N 3.14Å; H141-L144 PolarHBondContact O-N 2.72Å; H141-L144 VanDerWaalsContact O-N 3.12Å
142P95.3Very high94.3Very high44 Ų4489.4 Ų89.429%0.28644%0.436SS..G310 helixtrans-64-19.9-178.325.6-35.8000114.7R116 L144 R145 I157R116-P142 VanDerWaalsContact CZ-CD 3.49Å; P142-L144 PolarHBondContact O-N 3.35Å; P142-R145 WeakPolarHBondContact O-CB 3.46Å; P142-R145 WeakPolarHBondContact O-CD 3.35Å; P142-R145 WeakPolarHBondContact O-CG 3.35Å; P142-R145 PolarHBondContact O-N 2.88Å; P142-R145 VanDerWaalsContact O-N 3.09Å; P142-I157 HydrophobicContact CB-CD1 4.31Å
143A94.3Very high94.1Very high32 Ų3287 Ų8726%0.26443%0.431SS..G310 helixtrans-61.1-23.6174.600000113.4K76 I79 H141K76-A143 HydrophobicContact CG-CB 4.26Å; I79-A143 HydrophobicContact CD1-CB 3.8Å; H141-A143 WeakPolarHBondContact ND1-CB 3.39Å; H141-A143 PolarHBondContact ND1-N 2.82Å; H141-A143 PolarHBondContact O-N 3.24Å; H141-A143 VanDerWaalsContact O-N 3.14Å
144L93.7Very high93.8Very high10 Ų1087.2 Ų87.25%0.05243%0.432CS..G310 helixtrans-96.69.2178.6-58177.4000112.7K76 M83 H141 P142 N146 N147K76-L144 HydrophobicContact CB-CD2 4.15Å; K76-L144 HydrophobicContact CD-CD2 4.49Å; K76-L144 HydrophobicContact CG-CD2 4.23Å; M83-L144 HydrophobicContact CE-CD1 3.7Å; H141-L144 PolarHBondContact O-N 2.72Å; H141-L144 VanDerWaalsContact O-N 3.12Å; P142-L144 PolarHBondContact O-N 3.35Å; L144-N146 PolarHBondContact O-N 3.16Å; L144-N147 WeakPolarHBondContact O-CB 3.34Å; L144-N147 PolarHBondContact O-N 2.85Å; L144-N147 VanDerWaalsContact O-N 3.14Å
145R92.6Very high93.5Very high168 Ų16886.4 Ų86.463%0.63443%0.432SS*.THydrogen-bonded Turntrans-61.5-28.5-177.976.2-170.2178.6179.1-3.7113.3P142 N147 I157P142-R145 WeakPolarHBondContact O-CB 3.46Å; P142-R145 WeakPolarHBondContact O-CD 3.35Å; P142-R145 WeakPolarHBondContact O-CG 3.35Å; P142-R145 PolarHBondContact O-N 2.88Å; P142-R145 VanDerWaalsContact O-N 3.09Å; R145-N147 VanDerWaalsContact C-N 3.26Å; R145-N147 PolarHBondContact O-N 2.87Å; R145-I157 HydrophobicContact CB-CD1 4.36Å
146N92.6Very high93.3Very high92 Ų9286.6 Ų86.649%0.49243%0.43SS..THydrogen-bonded Turntrans-85.73.8-177.7-63.31.5000112.5H41 L144H41-N146 VanDerWaalsContact CG-O 3.25Å; H41-N146 PolarHBondContact ND1-O 3.31Å; L144-N146 PolarHBondContact O-N 3.16Å
147N94.6Very high93.2Very high28 Ų2881.8 Ų81.815%0.1541%0.413CS..SBendtrans-61.3153178.1-79.911.6000111.2H41 Y43 L144 R145 R149H41-N147 CarbonylContact O-C 3.57Å; H41-N147 VanDerWaalsContact O-CA 3.26Å; H41-N147 WeakPolarHBondContact O-CA 3.47Å; H41-N147 WeakPolarHBondContact O-CB 3.35Å; Y43-N147 PolarHBondContact O-ND2 3.12Å; L144-N147 WeakPolarHBondContact O-CB 3.34Å; L144-N147 PolarHBondContact O-N 2.85Å; L144-N147 VanDerWaalsContact O-N 3.14Å; R145-N147 VanDerWaalsContact C-N 3.26Å; R145-N147 PolarHBondContact O-N 2.87Å; N147-R149 WeakPolarHBondContact O-CG 3.35Å; N147-R149 PolarHBondContact O-N 3.19Å
148V94.5Very high93.1Very high72 Ų7282.3 Ų82.344%0.43641%0.413SS..  trans-61.1134.4174.9176.90000108.5H41 K42 Y150H41-V148 HydrophobicContact CB-CG2 4.05Å; H41-V148 PolarHBondContact O-N 3.19Å; K42-V148 HydrophobicContact CG-CG2 4.36Å; V148-Y150 HydrophobicContact CG1-CE1 3.97Å; V148-Y150 HydrophobicContact CG1-CE2 4.2Å
149R92.4Very high92.9Very high106 Ų10684.8 Ų84.840%0.442%0.422SS..  trans-129.2123.7179.4-56.9-169.865.8-107.44108.7N147 K153 P154 L155N147-R149 WeakPolarHBondContact O-CG 3.35Å; N147-R149 PolarHBondContact O-N 3.19Å; R149-K153 PolarHBondContact NH1-O 3.28Å; R149-K153 PolarHBondContact NH2-O 2.94Å; R149-P154 PolarHBondContact NH2-O 3.04Å; R149-P154 VanDerWaalsContact NH2-O 3.14Å; R149-L155 VanDerWaalsContact NH1-N 3.16Å
150Y93.5Very high92.8Very high211 Ų21186.8 Ų86.883%0.82743%0.43SS*.  trans-87.5-16.2179.2-58.6-73.9000112.4V148V148-Y150 HydrophobicContact CG1-CE1 3.97Å; V148-Y150 HydrophobicContact CG1-CE2 4.2Å
151G92.6Very high92.7Very high48 Ų4891.1 Ų91.150%0.49545%0.449SS..SBendtrans-92.5151.9175.800000113
152V92.7Very high92.5Very high153 Ų15393.7 Ų93.793%0.92746%0.463SS*.SBendtrans-69.7-36.2-177.9-172.20000112.8
153K90.6Very high92.4Very high160 Ų16096.6 Ų96.670%0.69647%0.474SS*.SBendtrans-72.5137.1-176.7-67.4-176.3-179.8177.50111R149R149-K153 PolarHBondContact NH1-O 3.28Å; R149-K153 PolarHBondContact NH2-O 2.94Å
154P88.7Confident92.3Very high75 Ų75100.7 Ų100.749%0.48749%0.487SS..  trans-62.7164.7178.227.9-35.5000113.2R149 Y156R149-P154 PolarHBondContact NH2-O 3.04Å; R149-P154 VanDerWaalsContact NH2-O 3.14Å; P154-Y156 HydrophobicContact CG-CE1 4.36Å; P154-Y156 HydrophobicContact CG-CE2 4.12Å; P154-Y156 WeakPolarHBondContact O-CD2 3.48Å; P154-Y156 PolarHBondContact O-N 3.11Å
155L88.8Confident92.2Very high83 Ų83106.7 Ų106.744%0.43552%0.516SS..  trans-76.9111.7175.3-176.466.6000108.7R149 I157R149-L155 VanDerWaalsContact NH1-N 3.16Å; L155-I157 HydrophobicContact CD2-CD1 4.22Å; L155-I157 HydrophobicContact CD2-CG1 4.06Å; L155-I157 HydrophobicContact CG-CG1 4.08Å
156Y91.1Very high92.1Very high141 Ų141102.4 Ų102.455%0.55351%0.507SS*.  trans-83.1117.1172.6-63.9-80.3000109.3P154 H159P154-Y156 HydrophobicContact CG-CE1 4.36Å; P154-Y156 HydrophobicContact CG-CE2 4.12Å; P154-Y156 WeakPolarHBondContact O-CD2 3.48Å; P154-Y156 PolarHBondContact O-N 3.11Å; Y156-H159 PolarHBondContact O-NE2 3.32Å
157I92.9Very high92.1Very high31 Ų31103.2 Ų103.216%0.15951%0.508CS..  trans-101.4-9.4178-63.3157.4000110.8D138 V139 P142 R145 L155D138-I157 CarbonylContact C-O 3.58Å; D138-I157 WeakPolarHBondContact CA-O 3.34Å; V139-I157 PolarHBondContact N-O 2.59Å; V139-I157 WeakPolarHBondContact O-CA 3.37Å; V139-I157 WeakPolarHBondContact O-CG2 3.46Å; P142-I157 HydrophobicContact CB-CD1 4.31Å; R145-I157 HydrophobicContact CB-CD1 4.36Å; L155-I157 HydrophobicContact CD2-CD1 4.22Å; L155-I157 HydrophobicContact CD2-CG1 4.06Å; L155-I157 HydrophobicContact CG-CG1 4.08Å
158K93.4Very high91.9Very high128 Ų128109.4 Ų109.456%0.55754%0.538SS*.BIsolated β-bridgetrans-128.5117.8-179.1-68.1-173.5177.2-176.80109.8R136 M137R136-K158 HydrophobicContact CB-CB 3.96Å; M137-K158 CarbonylContact O-C 3.42Å; M137-K158 WeakPolarHBondContact O-CA 3.49Å
159H91.4Very high91.6Very high105 Ų105112.8 Ų112.849%0.48655%0.547SS..  trans-105.80-178.8-65.8-99.2000110.9R136 M137 V139 Y156R136-H159 CarbonylContact C-O 3.6Å; R136-H159 WeakPolarHBondContact CA-O 3.42Å; R136-H159 WeakPolarHBondContact CB-O 3.22Å; R136-H159 PolarHBondContact NH1-OXT 3.3Å; M137-H159 PolarHBondContact N-O 3.43Å; M137-H159 PolarHBondContact O-N 2.84Å; V139-H159 VanDerWaalsContact CG2-CD2 3.46Å; V139-H159 WeakPolarHBondContact CG2-CD2 3.36Å; Y156-H159 PolarHBondContact O-NE2 3.32Å

Retrieved 159 of 159 residues in 115.8 ms (Link to these results)