A0A087WUJ7_HUMAN Loading...

Beta-hexosaminidase eukaryotic type N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A087WUJ7, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 227 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.3Very low44.4Very low240 Ų240169.5 Ų169.5100%1.18287%0.867SS**  0960-70.4161.287.900107.4
2T39Very low44.2Very low147 Ų147165.9 Ų165.990%0.90285%0.85SS**  trans-9599.6-165.935.80000110
3S38.4Very low43.8Very low126 Ų126160 Ų16088%0.88184%0.841SS**  trans-114.278.8170.9179.70000108.8
4S51.4Low43.9Very low112 Ų112154.9 Ų154.978%0.78383%0.833SS**  trans-14574.6168.2-175.40000107.2
5R51.1Low43.7Very low231 Ų231149.5 Ų149.587%0.87282%0.819SS**  trans-141.718.4179.6-78.7-158.7171.4-168-1.3114.5
6L48.8Very low43.6Very low155 Ų155151.4 Ų151.481%0.81282%0.817SS**SBendtrans-122.57.8180-66.8174.9000115.4
7W41.3Very low43.6Very low253 Ų253145.9 Ų145.996%0.95880%0.797SS**SBendtrans-104.51.1175-94.710.1000115.6
8F42.5Very low43.7Very low188 Ų188141.3 Ų141.383%0.82579%0.789SS**SBendtrans-100.79.5-179-93.6-80.3000115.4
9S45.5Very low44.3Very low93 Ų93143.4 Ų143.465%0.6578%0.783SS**SBendtrans-99.6-2.7-173.6-43.20000115.4
10L44.8Very low44.8Very low167 Ų167137.3 Ų137.387%0.87475%0.753SS**SBendtrans-108.4-0.8-178.3-95.4155.4000114.9
11L44.9Very low45.2Very low152 Ų152136.3 Ų136.380%0.79675%0.751SS**SBendtrans-104.87.1173.8-73.7170.1000113.8
12L42.7Very low46.5Very low127 Ų127129.5 Ų129.567%0.66573%0.733SS**SBendtrans-111.828.3178.5-146.279.4000113.7
13A38.8Very low48.2Very low89 Ų89126.1 Ų126.174%0.73671%0.709SS**SBendtrans-112.21.4168.600000113.2
14A44.3Very low49.6Very low88 Ų88131.5 Ų131.573%0.72771%0.71SS**SBendtrans-96.3-11.4174.200000113.4
15A42.2Very low51.2Low75 Ų75130.5 Ų130.562%0.6270%0.701SS**SBendtrans-94.3-1-174.200000114.9
16F41.6Very low52.5Low180 Ų180127 Ų12779%0.78969%0.688SS**SBendtrans-121.615.6174.4-68.3-73.8000113.5G18F16-G18 PolarHBondContact O-N 3.18Å
17A43.8Very low54.2Low58 Ų58121 Ų12148%0.47966%0.658SS.*  trans-74.797.217500000109.9R19 T21A17-R19 PolarHBondContact O-N 3.27Å; A17-T21 HydrophobicContact CB-CG2 3.82Å
18G44.8Very low56.4Low63 Ų63118.4 Ų118.465%0.64966%0.657SS**  trans-58.8119.6173.400000112F16 A20F16-G18 PolarHBondContact O-N 3.18Å; G18-A20 PolarHBondContact O-N 3.35Å
19R55.7Low58.6Low180 Ų180115.5 Ų115.568%0.67965%0.65SS**SBendtrans47.1-11147.8-63.3-177.9177.4169.42.4122A17 D34A17-R19 PolarHBondContact O-N 3.27Å; R19-D34 IonicContact CZ-OD1 3.95Å; R19-D34 IonicContact NH1-OD1 2.89Å; R19-D34 PolarHBondContact NH1-OD1 3.45Å
20A53.7Low60.7Low22 Ų22114.9 Ų114.918%0.18264%0.636CS.*  trans-127.147-174.900000113.2G18 A22 F30G18-A20 PolarHBondContact O-N 3.35Å; A20-A22 VanDerWaalsContact C-N 3.34Å; A20-A22 PolarHBondContact O-N 2.87Å; A20-F30 HydrophobicContact CB-CE1 4Å; A20-F30 HydrophobicContact CB-CZ 3.86Å
21T52.7Low62.7Low117 Ų117115 Ų11572%0.71863%0.632SS**THydrogen-bonded Turntrans-86.65.7-17751.10000114.9A17A17-T21 HydrophobicContact CB-CG2 3.82Å
22A68.6Low64.7Low96 Ų96112.9 Ų112.979%0.79363%0.625SS**THydrogen-bonded Turntrans-110.25.4-172.100000115.1A20 W24A20-A22 VanDerWaalsContact C-N 3.34Å; A20-A22 PolarHBondContact O-N 2.87Å; A22-W24 PolarHBondContact O-N 2.56Å
23L74.3Confident66.7Low76 Ų76110.6 Ų110.640%0.39862%0.62SS.*  trans-80.7121.4179.3-65.8176.7000110.8P27 F30L23-P27 HydrophobicContact CD1-CG 4.32Å; L23-F30 HydrophobicContact CD1-CD2 3.85Å; L23-F30 HydrophobicContact CD1-CE2 3.53Å; L23-F30 HydrophobicContact CD1-CZ 4Å
24W68.7Low68.8Low240 Ų240112.2 Ų112.291%0.90962%0.616SS**SBendtrans-146.2129.5174.3-172.2-91000112A22A22-W24 PolarHBondContact O-N 2.56Å
25P83.6Confident70.7Confident91 Ų91112.1 Ų112.159%0.59160%0.601SS**SBendcis-60.8160.9-11-21.934.7000112.9
26W79.6Confident72.5Confident156 Ų156116.8 Ų116.859%0.59160%0.602SS**PPolyproline II helixtrans-70.2128.6177.4-165.3-88.2000110.4
27P84.4Confident74.6Confident29 Ų29110.6 Ų110.619%0.18857%0.574CS.*PPolyproline II helixtrans-70.6153.9-179.129.4-36.1000112.3L23 N29 F30L23-P27 HydrophobicContact CD1-CG 4.32Å; P27-N29 PolarHBondContact O-N 3.21Å; P27-F30 HydrophobicContact CG-CB 4.03Å; P27-F30 HydrophobicContact CG-CD2 4.28Å; P27-F30 HydrophobicContact CG-CG 4.46Å
28Q87.6Confident76.5Confident200 Ų200109.2 Ų109.294%0.93556%0.56SS**SBendtrans-65.2-38.8-179.5-67.8-65.6-42.300113
29N89.5Confident78.4Confident127 Ų127109.8 Ų109.868%0.67955%0.547SS*.SBendtrans-129.8131.9175.4-172.36.8000109.1P27P27-N29 PolarHBondContact O-N 3.21Å
30F88.4Confident79.7Confident80 Ų80105 Ų10535%0.35153%0.53SS..  trans-143.3127.8-177.2-179.5-108.1000110.7A20 L23 P27 T32A20-F30 HydrophobicContact CB-CE1 4Å; A20-F30 HydrophobicContact CB-CZ 3.86Å; L23-F30 HydrophobicContact CD1-CD2 3.85Å; L23-F30 HydrophobicContact CD1-CE2 3.53Å; L23-F30 HydrophobicContact CD1-CZ 4Å; P27-F30 HydrophobicContact CG-CB 4.03Å; P27-F30 HydrophobicContact CG-CD2 4.28Å; P27-F30 HydrophobicContact CG-CG 4.46Å; F30-T32 HydrophobicContact CE1-CG2 3.89Å; F30-T32 HydrophobicContact CZ-CG2 4.26Å
31Q88.1Confident81.2Confident170 Ų170105.1 Ų105.179%0.79453%0.529SS*.  trans-133.5132.1173.2-61.5-175.98.300107.8
32T85.7Confident82.6Confident106 Ų106107.1 Ų107.165%0.6554%0.535SS*.  trans-124147-179-173.40000110.3F30F30-T32 HydrophobicContact CE1-CG2 3.89Å; F30-T32 HydrophobicContact CZ-CG2 4.26Å
33S85.4Confident83.4Confident79 Ų79106.8 Ų106.855%0.55252%0.52SS*.  trans-108.6163.8170.8179.40000110.2Q35S33-Q35 PolarHBondContact OG-N 3.26Å
34D83.3Confident84.2Confident124 Ų124103.4 Ų103.466%0.66350%0.502SS*.SBendtrans-81.2-4.9170.1-87.9-45.6000113.2R19R19-D34 IonicContact CZ-OD1 3.95Å; R19-D34 IonicContact NH1-OD1 2.89Å; R19-D34 PolarHBondContact NH1-OD1 3.45Å
35Q82.3Confident85.3Confident86 Ų8696.6 Ų96.640%0.40248%0.48SS..  trans-65.3139.9177.4-160.4144.7-4.500111.1S33 Y37 D122S33-Q35 PolarHBondContact OG-N 3.26Å; Q35-Y37 HydrophobicContact CG-CE1 4.39Å; Q35-Y37 HydrophobicContact CG-CE2 4.29Å; Q35-D122 PolarHBondContact NE2-OD1 3.25Å; Q35-D122 PolarHBondContact NE2-OD2 3.2Å
36R81.6Confident85.8Confident172 Ų17293.5 Ų93.565%0.64946%0.458SS*.  trans-123.2131.8-177.9-63.7-176.1-177.6-171.2-2109.9
37Y84.8Confident86.6Confident51 Ų5190 Ų9020%0.245%0.448CS..EExtended strand (participates in β ladder)trans-109.6143.6175.3-56.4-80.1000109.9Q35 L90 K92 I120 N121 D122Q35-Y37 HydrophobicContact CG-CE1 4.39Å; Q35-Y37 HydrophobicContact CG-CE2 4.29Å; Y37-L90 WeakPolarHBondContact CA-O 3.47Å; Y37-L90 HydrophobicContact CD1-CB 3.81Å; Y37-L90 HydrophobicContact CE1-CB 3.97Å; Y37-L90 HydrophobicContact CE1-CD1 4.35Å; Y37-K92 HydrophobicContact CD1-CD 4.45Å; Y37-K92 HydrophobicContact CD1-CG 3.66Å; Y37-K92 HydrophobicContact CE1-CG 4.39Å; Y37-K92 HydrophobicContact CG-CG 3.86Å; Y37-I120 HydrophobicContact CD2-CG2 3.83Å; Y37-I120 HydrophobicContact CE2-CG2 3.81Å; Y37-N121 WeakPolarHBondContact OH-CA 3.48Å; Y37-D122 VanDerWaalsContact CE1-OD1 3.31Å; Y37-D122 WeakPolarHBondContact CE1-OD1 3.36Å; Y37-D122 PolarHBondContact OH-N 2.85Å; Y37-D122 PolarHBondContact OH-OD1 3.38Å
38V83.4Confident87.1Confident29 Ų2990.2 Ų90.218%0.17645%0.445CS..EExtended strand (participates in β ladder)trans-96128.6173.9-179.70000108.2Y40 T89 L90 K92V38-Y40 HydrophobicContact CB-CE2 4.38Å; V38-Y40 HydrophobicContact CG1-CD2 4.22Å; V38-Y40 HydrophobicContact CG1-CE1 4.16Å; V38-Y40 HydrophobicContact CG1-CE2 3.68Å; V38-T89 HydrophobicContact CG2-CG2 3.91Å; V38-L90 PolarHBondContact N-O 2.91Å; V38-K92 PolarHBondContact O-N 3.26Å
39L85.4Confident87.5Confident75 Ų7582.5 Ų82.539%0.39341%0.41SS..  trans-106.7126.5172.9-52.7-178.9000108.2F44 F73 K92L39-F44 HydrophobicContact CD2-CD2 4.1Å; L39-F44 HydrophobicContact CD2-CE2 4.07Å; L39-F73 HydrophobicContact CB-CE1 4.31Å; L39-F73 HydrophobicContact CB-CZ 4.27Å; L39-K92 HydrophobicContact CD2-CB 3.79Å; L39-K92 WeakPolarHBondContact CD2-O 3.04Å
40Y82.3Confident87.6Confident78 Ų7883.1 Ų83.131%0.30642%0.418SS..  trans-98.9121.4175-69.2-81000110.7V38 N42 N43 F44 E91V38-Y40 HydrophobicContact CB-CE2 4.38Å; V38-Y40 HydrophobicContact CG1-CD2 4.22Å; V38-Y40 HydrophobicContact CG1-CE1 4.16Å; V38-Y40 HydrophobicContact CG1-CE2 3.68Å; Y40-N42 PolarHBondContact O-N 3.21Å; Y40-N43 PolarHBondContact O-N 2.91Å; Y40-F44 VanDerWaalsContact O-CB 3.25Å; Y40-F44 WeakPolarHBondContact O-CB 3.3Å; Y40-F44 PolarHBondContact O-N 3.2Å; Y40-E91 HydrophobicContact CE2-CB 4.38Å; Y40-E91 HydrophobicContact CE2-CG 3.86Å; Y40-E91 WeakPolarHBondContact CE2-OE1 3.45Å; Y40-E91 PolarHBondContact OH-OE1 2.85Å; Y40-E91 VanDerWaalsContact OH-OE1 3.1Å
41P84.9Confident87.8Confident26 Ų2684 Ų8417%0.16943%0.434CS..THydrogen-bonded Turntrans-51.7-45.3178.8-2530.2000112.4N43 R69 F73 W78P41-N43 VanDerWaalsContact C-N 3.3Å; P41-N43 PolarHBondContact O-N 3.39Å; P41-R69 PolarHBondContact O-NH1 3.07Å; P41-R69 PolarHBondContact O-NH2 2.98Å; P41-F73 HydrophobicContact CB-CB 4.13Å; P41-F73 HydrophobicContact CB-CD1 3.64Å; P41-F73 HydrophobicContact CB-CE1 4.2Å; P41-F73 HydrophobicContact CB-CG 3.88Å; P41-F73 HydrophobicContact CG-CD1 3.59Å; P41-F73 HydrophobicContact CG-CE1 4.01Å; P41-F73 HydrophobicContact CG-CG 4.31Å; P41-W78 HydrophobicContact CB-CG 4.42Å; P41-W78 HydrophobicContact CG-CB 3.94Å; P41-W78 HydrophobicContact CG-CD2 4.04Å; P41-W78 HydrophobicContact CG-CG 3.59Å
42N82.8Confident88.1Confident158 Ų15876.2 Ų76.285%0.84540%0.399SS*.THydrogen-bonded Turntrans-67.1-26.9-173.6-63-4.8000114.2Y40Y40-N42 PolarHBondContact O-N 3.21Å
43N86.1Confident88.3Confident89 Ų8973.4 Ų73.448%0.47639%0.386SS..THydrogen-bonded Turntrans-119.6-6.9-173.5-16126000113.6Y40 P41 Q45Y40-N43 PolarHBondContact O-N 2.91Å; P41-N43 VanDerWaalsContact C-N 3.3Å; P41-N43 PolarHBondContact O-N 3.39Å; N43-Q45 PolarHBondContact O-N 3.41Å
44F90.4Very high88.6Confident6 Ų669.9 Ų69.93%0.02636%0.362CS..  trans-66.4133.4177.6-176.6-88.6000110.6L39 Y40 F46 R69 L72 F73 N93 L95L39-F44 HydrophobicContact CD2-CD2 4.1Å; L39-F44 HydrophobicContact CD2-CE2 4.07Å; Y40-F44 VanDerWaalsContact O-CB 3.25Å; Y40-F44 WeakPolarHBondContact O-CB 3.3Å; Y40-F44 PolarHBondContact O-N 3.2Å; F44-F46 HydrophobicContact CD1-CE2 4.46Å; F44-F46 HydrophobicContact CE1-CD2 4.02Å; F44-F46 HydrophobicContact CE1-CE1 4.28Å; F44-F46 AromaticContact CE1-CE2 3.68Å; F44-F46 HydrophobicContact CE1-CE2 3.68Å; F44-F46 HydrophobicContact CE1-CG 4.45Å; F44-F46 AromaticContact CE1-CZ 3.81Å; F44-F46 HydrophobicContact CE1-CZ 3.81Å; F44-F46 HydrophobicContact CZ-CZ 4.38Å; F44-R69 PolarHBondContact O-NH1 2.84Å; F44-R69 PolarHBondContact O-NH2 2.56Å; F44-L72 HydrophobicContact CE1-CD1 4.22Å; F44-F73 HydrophobicContact CB-CE2 3.67Å; F44-F73 HydrophobicContact CB-CZ 3.61Å; F44-F73 AromaticContact CD1-CE2 3.5Å; F44-F73 HydrophobicContact CD1-CE2 3.5Å; F44-F73 AromaticContact CD1-CZ 3.94Å; F44-F73 HydrophobicContact CD1-CZ 3.94Å; F44-F73 HydrophobicContact CD2-CZ 4.32Å; F44-F73 HydrophobicContact CE1-CE2 4.31Å; F44-F73 AromaticContact CG-CE2 3.7Å; F44-F73 HydrophobicContact CG-CE2 3.7Å; F44-F73 AromaticContact CG-CZ 3.69Å; F44-F73 HydrophobicContact CG-CZ 3.69Å; F44-N93 CarbonylContact C-O 3.38Å; F44-N93 WeakPolarHBondContact CA-O 3.36Å; F44-L95 HydrophobicContact CE2-CB 4.32Å; F44-L95 HydrophobicContact CZ-CB 3.78Å
45Q92.6Very high89Confident96 Ų9668.1 Ų68.145%0.44935%0.35SS..EExtended strand (participates in β ladder)trans-141.3145.7178-63.3-176.57.400111N43 N93 V94 L95N43-Q45 PolarHBondContact O-N 3.41Å; Q45-N93 PolarHBondContact N-O 2.69Å; Q45-V94 VanDerWaalsContact O-CA 3.31Å; Q45-V94 WeakPolarHBondContact O-CA 3.37Å; Q45-L95 PolarHBondContact O-N 3.22Å
46F94.3Very high89.5Confident27 Ų2768.4 Ų68.412%0.11836%0.359CS..EExtended strand (participates in β ladder)trans-87.8138.3163.7-65-89.8000108.3F44 F65 R69 L72 L95F44-F46 HydrophobicContact CD1-CE2 4.46Å; F44-F46 HydrophobicContact CE1-CD2 4.02Å; F44-F46 HydrophobicContact CE1-CE1 4.28Å; F44-F46 AromaticContact CE1-CE2 3.68Å; F44-F46 HydrophobicContact CE1-CE2 3.68Å; F44-F46 HydrophobicContact CE1-CG 4.45Å; F44-F46 AromaticContact CE1-CZ 3.81Å; F44-F46 HydrophobicContact CE1-CZ 3.81Å; F44-F46 HydrophobicContact CZ-CZ 4.38Å; F46-F65 HydrophobicContact CB-CB 3.84Å; F46-F65 HydrophobicContact CB-CD1 3.58Å; F46-F65 HydrophobicContact CB-CD2 3.68Å; F46-F65 HydrophobicContact CB-CE1 4.02Å; F46-F65 HydrophobicContact CB-CE2 4.07Å; F46-F65 HydrophobicContact CB-CG 3.41Å; F46-F65 VanDerWaalsContact CB-CG 3.41Å; F46-F65 HydrophobicContact CB-CZ 4.24Å; F46-F65 HydrophobicContact CD1-CD1 4.11Å; F46-F65 HydrophobicContact CD1-CE1 4.47Å; F46-F65 HydrophobicContact CD2-CB 4.06Å; F46-F65 HydrophobicContact CD2-CG 4.42Å; F46-F65 HydrophobicContact CG-CB 4.13Å; F46-F65 AromaticContact CG-CD1 3.85Å; F46-F65 HydrophobicContact CG-CD1 3.85Å; F46-F65 HydrophobicContact CG-CE1 4.48Å; F46-F65 AromaticContact CG-CG 3.98Å; F46-F65 HydrophobicContact CG-CG 3.98Å; F46-R69 HydrophobicContact CE2-CB 4.14Å; F46-L72 HydrophobicContact CE2-CD1 4.43Å; F46-L72 HydrophobicContact CZ-CD1 3.92Å; F46-L95 WeakPolarHBondContact CA-O 3.27Å; F46-L95 HydrophobicContact CD1-CB 4.16Å; F46-L95 HydrophobicContact CD1-CD2 3.92Å; F46-L95 HydrophobicContact CD1-CG 4.08Å; F46-L95 HydrophobicContact CE1-CB 4.42Å; F46-L95 HydrophobicContact CE1-CD2 3.52Å; F46-L95 HydrophobicContact CE1-CG 4.2Å
47Q94.8Very high89.8Confident83 Ų8363.3 Ų63.339%0.38836%0.36SS..EExtended strand (participates in β ladder)trans-133.6148.6178.6-68.9-177.713.200110.6V94 L95 V96 V97Q47-V94 HydrophobicContact CB-CG1 3.9Å; Q47-V94 VanDerWaalsContact CD-CG1 3.48Å; Q47-V94 HydrophobicContact CG-CG1 3.72Å; Q47-L95 PolarHBondContact N-O 3.29Å; Q47-V96 CarbonylContact O-C 3.4Å; Q47-V96 WeakPolarHBondContact O-CA 3.25Å; Q47-V97 PolarHBondContact O-N 3.19Å
48Y95.3Very high90.1Very high33 Ų3361.2 Ų61.213%0.12935%0.353CS..EExtended strand (participates in β ladder)trans-74.6140.4169.6-67.7-90.6000109.8A54 P56 L61 D62 F65Y48-A54 VanDerWaalsContact CD1-O 3.28Å; Y48-A54 WeakPolarHBondContact CD1-O 3.2Å; Y48-A54 HydrophobicContact CE1-CB 4.44Å; Y48-P56 HydrophobicContact CD2-CG 3.76Å; Y48-P56 HydrophobicContact CE2-CB 4.36Å; Y48-P56 HydrophobicContact CE2-CG 4.02Å; Y48-P56 HydrophobicContact CG-CG 4.49Å; Y48-L61 HydrophobicContact CD1-CD1 4.42Å; Y48-L61 HydrophobicContact CE1-CB 3.91Å; Y48-L61 HydrophobicContact CE1-CD1 3.63Å; Y48-L61 HydrophobicContact CE1-CG 4.43Å; Y48-L61 WeakPolarHBondContact OH-CB 3.33Å; Y48-D62 VanDerWaalsContact CE2-OD1 3.3Å; Y48-D62 WeakPolarHBondContact CE2-OD1 3.38Å; Y48-D62 VanDerWaalsContact OH-CG 3.29Å; Y48-D62 PolarHBondContact OH-N 3.44Å; Y48-D62 PolarHBondContact OH-OD1 3.47Å; Y48-F65 AromaticContact CD2-CE2 3.86Å; Y48-F65 HydrophobicContact CD2-CE2 3.86Å; Y48-F65 HydrophobicContact CE1-CE2 4.25Å; Y48-F65 HydrophobicContact CE1-CZ 4.28Å; Y48-F65 HydrophobicContact CE2-CD2 4.24Å; Y48-F65 AromaticContact CE2-CE2 3.47Å; Y48-F65 HydrophobicContact CE2-CE2 3.47Å; Y48-F65 VanDerWaalsContact CE2-CE2 3.47Å; Y48-F65 HydrophobicContact CE2-CZ 4.28Å; Y48-F65 HydrophobicContact CG-CE2 4.41Å; Y48-F65 AromaticContact CZ-CE2 3.68Å
49D95.3Very high90.2Very high38 Ų3862 Ų6220%0.20336%0.359CS..  trans-68.6144.1167.8-170.669.9000110.8S51 S52 Q55 V96 V97D49-S51 PolarHBondContact O-N 3.19Å; D49-S51 WeakPolarHBondContact OD2-CA 3.31Å; D49-S51 WeakPolarHBondContact OD2-CB 3.36Å; D49-S51 PolarHBondContact OD2-N 3.1Å; D49-S51 PolarHBondContact OD2-OG 3.44Å; D49-S52 WeakPolarHBondContact O-CB 3.32Å; D49-S52 PolarHBondContact O-N 2.85Å; D49-Q55 PolarHBondContact O-NE2 2.72Å; D49-V96 HydrophobicContact CB-CG1 3.61Å; D49-V97 PolarHBondContact N-O 3.24Å
50V92.4Very high90.4Very high140 Ų14058.4 Ų58.485%0.84834%0.34SS*.THydrogen-bonded Turntrans-61.8-27.2-180-70.40000113
51S92.3Very high90.9Very high98 Ų9854.7 Ų54.769%0.68533%0.326SS*.THydrogen-bonded Turntrans-97.51.8178.971.10000113.4D49D49-S51 PolarHBondContact O-N 3.19Å; D49-S51 WeakPolarHBondContact OD2-CA 3.31Å; D49-S51 WeakPolarHBondContact OD2-CB 3.36Å; D49-S51 PolarHBondContact OD2-N 3.1Å; D49-S51 PolarHBondContact OD2-OG 3.44Å
52S93.9Very high91.2Very high7 Ų755.7 Ų55.75%0.04933%0.33CS..  trans-69.1139-178.9-171.80000111.8D49 A54 Q55 V99D49-S52 WeakPolarHBondContact O-CB 3.32Å; D49-S52 PolarHBondContact O-N 2.85Å; S52-A54 WeakPolarHBondContact CB-O 3.14Å; S52-A54 PolarHBondContact O-N 3.19Å; S52-A54 PolarHBondContact OG-N 3.39Å; S52-A54 PolarHBondContact OG-O 2.97Å; S52-Q55 PolarHBondContact O-NE2 2.8Å; S52-V99 PolarHBondContact OG-N 3.43Å; S52-V99 PolarHBondContact OG-O 3.43Å
53A91.6Very high91.5Very high46 Ų4651.1 Ų51.138%0.3830%0.304SS..SBendtrans-66.5-24.2170.700000113V99 V100 P102A53-V99 PolarHBondContact N-O 3.33Å; A53-V100 VanDerWaalsContact CB-O 3.26Å; A53-V100 WeakPolarHBondContact CB-O 3.08Å; A53-P102 HydrophobicContact CB-CB 4.27Å
54A91.3Very high91.8Very high6 Ų646.9 Ų46.95%0.0528%0.281CS..  trans-95.3135.2171.400000109.8Y48 S52 L61 V99 V132Y48-A54 VanDerWaalsContact CD1-O 3.28Å; Y48-A54 WeakPolarHBondContact CD1-O 3.2Å; Y48-A54 HydrophobicContact CE1-CB 4.44Å; S52-A54 WeakPolarHBondContact CB-O 3.14Å; S52-A54 PolarHBondContact O-N 3.19Å; S52-A54 PolarHBondContact OG-N 3.39Å; S52-A54 PolarHBondContact OG-O 2.97Å; A54-L61 HydrophobicContact CB-CD1 3.66Å; A54-V99 HydrophobicContact CB-CB 4.15Å; A54-V99 HydrophobicContact CB-CG2 4.29Å; A54-V132 HydrophobicContact CB-CG2 4.38Å
55Q91.6Very high91.9Very high86 Ų8647.5 Ų47.540%0.40228%0.284SS..  trans-132169.8-176.3-71.1-60.3-38.600109.6D49 S52 G57 C58D49-Q55 PolarHBondContact O-NE2 2.72Å; S52-Q55 PolarHBondContact O-NE2 2.8Å; Q55-G57 PolarHBondContact O-N 3.32Å; Q55-C58 WeakPolarHBondContact O-CB 3.17Å; Q55-C58 PolarHBondContact O-N 3.06Å
56P92.2Very high91.8Very high93 Ų9349.1 Ų49.160%0.60429%0.291SS*.THydrogen-bonded Turntrans-50.6134.5176.3-27.535000112.2Y48Y48-P56 HydrophobicContact CD2-CG 3.76Å; Y48-P56 HydrophobicContact CE2-CB 4.36Å; Y48-P56 HydrophobicContact CE2-CG 4.02Å; Y48-P56 HydrophobicContact CG-CG 4.49Å
57G88.3Confident91.6Very high64 Ų6450.5 Ų50.566%0.6630%0.295SS*.THydrogen-bonded Turntrans106.5-5.4-168.100000113.4Q55 S59 D62Q55-G57 PolarHBondContact O-N 3.32Å; G57-S59 PolarHBondContact O-N 3.18Å; G57-D62 WeakPolarHBondContact CA-OD2 3.31Å; G57-D62 PolarHBondContact N-OD2 3.37Å
58C90.2Very high91.3Very high7 Ų749.6 Ų49.65%0.04729%0.289CS..  trans-77.598.6168.1173.60000110.3Q55 V60 L61 D62 C104Q55-C58 WeakPolarHBondContact O-CB 3.17Å; Q55-C58 PolarHBondContact O-N 3.06Å; C58-V60 PolarHBondContact O-N 3.5Å; C58-V60 VanDerWaalsContact O-N 3.13Å; C58-L61 HydrophobicContact CB-CB 4.34Å; C58-L61 PolarHBondContact O-N 3.44Å; C58-L61 VanDerWaalsContact O-N 3.09Å; C58-D62 PolarHBondContact N-OD2 2.87Å; C58-D62 WeakPolarHBondContact O-CB 3.16Å; C58-D62 PolarHBondContact O-N 2.82Å; C58-C104 WeakPolarHBondContact CA-SG 3.19Å; C58-C104 HydrophobicContact CB-CB 3.82Å; C58-C104 WeakPolarHBondContact CB-SG 3.1Å; C58-C104 WeakPolarHBondContact SG-CB 3.01Å; C58-C104 CovalentContact SG-SG 2.01Å; C58-C104 PolarHBondContact SG-SG 3.1Å
59S87.3Confident91.1Very high45 Ų4551.4 Ų51.432%0.31530%0.296SS..Hα-helixtrans-47.9-43.9-178.958.40000113.5G57 L61 E63 N105G57-S59 PolarHBondContact O-N 3.18Å; S59-L61 PolarHBondContact O-N 2.81Å; S59-E63 VanDerWaalsContact O-CB 3.31Å; S59-E63 WeakPolarHBondContact O-CB 3.32Å; S59-E63 WeakPolarHBondContact O-CG 2.91Å; S59-E63 PolarHBondContact O-N 3.13Å; S59-N105 PolarHBondContact OG-OD1 3.27Å; S59-N105 VanDerWaalsContact OG-OD1 3.07Å
60V89.3Confident90.8Very high0 Ų054.5 Ų54.50%031%0.312CS..Hα-helixtrans-61-48.6-179.5-178.60000112.3C58 A64 C104 V132 T139 Q142C58-V60 PolarHBondContact O-N 3.5Å; C58-V60 VanDerWaalsContact O-N 3.13Å; V60-A64 WeakPolarHBondContact O-CB 3.03Å; V60-A64 PolarHBondContact O-N 3.01Å; V60-A64 VanDerWaalsContact O-N 3.1Å; V60-C104 WeakPolarHBondContact CG2-O 3.04Å; V60-V132 HydrophobicContact CB-CG1 3.8Å; V60-V132 HydrophobicContact CG1-CG1 3.47Å; V60-V132 VanDerWaalsContact CG1-CG1 3.47Å; V60-T139 HydrophobicContact CB-CG2 4.45Å; V60-T139 HydrophobicContact CG2-CG2 4.14Å; V60-Q142 VanDerWaalsContact CG2-NE2 3.28Å
61L91.5Very high90.5Very high0 Ų053.8 Ų53.80%030%0.303CS..Hα-helixtrans-78.7-40.9-176.6-70.7177.8000111.6Y48 A54 C58 S59 E63 A64 F65 V99 V132 A135 L136Y48-L61 HydrophobicContact CD1-CD1 4.42Å; Y48-L61 HydrophobicContact CE1-CB 3.91Å; Y48-L61 HydrophobicContact CE1-CD1 3.63Å; Y48-L61 HydrophobicContact CE1-CG 4.43Å; Y48-L61 WeakPolarHBondContact OH-CB 3.33Å; A54-L61 HydrophobicContact CB-CD1 3.66Å; C58-L61 HydrophobicContact CB-CB 4.34Å; C58-L61 PolarHBondContact O-N 3.44Å; C58-L61 VanDerWaalsContact O-N 3.09Å; S59-L61 PolarHBondContact O-N 2.81Å; L61-E63 PolarHBondContact O-N 3.17Å; L61-A64 PolarHBondContact O-N 3.05Å; L61-A64 VanDerWaalsContact O-N 3.17Å; L61-F65 HydrophobicContact CB-CE1 4.38Å; L61-F65 HydrophobicContact CB-CZ 4.27Å; L61-F65 VanDerWaalsContact O-CD1 3.24Å; L61-F65 WeakPolarHBondContact O-CD1 3.24Å; L61-F65 WeakPolarHBondContact O-CG 3.39Å; L61-F65 PolarHBondContact O-N 3.07Å; L61-V99 HydrophobicContact CD1-CG2 3.98Å; L61-V132 HydrophobicContact CD1-CG1 4.49Å; L61-V132 HydrophobicContact CD1-CG2 4.25Å; L61-V132 HydrophobicContact CD2-CG1 4.05Å; L61-V132 HydrophobicContact CG-CG1 3.93Å; L61-A135 HydrophobicContact CD2-CB 3.99Å; L61-L136 HydrophobicContact CD2-CB 4.28Å; L61-L136 HydrophobicContact CD2-CD1 4.15Å; L61-L136 HydrophobicContact CD2-CG 4.38Å
62D91.8Very high90.2Very high48 Ų4853 Ų5326%0.25729%0.291SS..Hα-helixtrans-60.2-47.8178.7-70.6-26.1000111.3Y48 G57 C58 F65 Q66Y48-D62 VanDerWaalsContact CE2-OD1 3.3Å; Y48-D62 WeakPolarHBondContact CE2-OD1 3.38Å; Y48-D62 VanDerWaalsContact OH-CG 3.29Å; Y48-D62 PolarHBondContact OH-N 3.44Å; Y48-D62 PolarHBondContact OH-OD1 3.47Å; G57-D62 WeakPolarHBondContact CA-OD2 3.31Å; G57-D62 PolarHBondContact N-OD2 3.37Å; C58-D62 PolarHBondContact N-OD2 2.87Å; C58-D62 WeakPolarHBondContact O-CB 3.16Å; C58-D62 PolarHBondContact O-N 2.82Å; D62-F65 PolarHBondContact O-N 2.01Å; D62-Q66 PolarHBondContact O-N 2.8Å
63E90Very high89.9Confident62 Ų6253.7 Ų53.729%0.2929%0.293SS..Hα-helixtrans-69.7-34.4175.4-70.9-175.3-168.400112.5S59 L61 F65 Q66 R67 T139 P140S59-E63 VanDerWaalsContact O-CB 3.31Å; S59-E63 WeakPolarHBondContact O-CB 3.32Å; S59-E63 WeakPolarHBondContact O-CG 2.91Å; S59-E63 PolarHBondContact O-N 3.13Å; L61-E63 PolarHBondContact O-N 3.17Å; E63-F65 VanDerWaalsContact C-N 3.34Å; E63-Q66 PolarHBondContact O-N 2.84Å; E63-R67 VanDerWaalsContact O-CB 3.27Å; E63-R67 WeakPolarHBondContact O-CB 3.28Å; E63-R67 PolarHBondContact O-N 2.72Å; E63-T139 WeakPolarHBondContact OE2-CB 3.03Å; E63-T139 VanDerWaalsContact OE2-CG2 3.25Å; E63-T139 WeakPolarHBondContact OE2-CG2 3.22Å; E63-P140 WeakPolarHBondContact OE2-CD 3.28Å
64A91.6Very high89.2Confident0 Ų053.6 Ų53.60%030%0.296CS..Hα-helixtrans-65-40.6176.600000111.4V60 L61 Q66 R67 Y68 L136V60-A64 WeakPolarHBondContact O-CB 3.03Å; V60-A64 PolarHBondContact O-N 3.01Å; V60-A64 VanDerWaalsContact O-N 3.1Å; L61-A64 PolarHBondContact O-N 3.05Å; L61-A64 VanDerWaalsContact O-N 3.17Å; A64-Q66 VanDerWaalsContact C-N 3.33Å; A64-Q66 PolarHBondContact O-N 2.88Å; A64-R67 PolarHBondContact O-N 3.4Å; A64-Y68 HydrophobicContact CB-CD2 4.26Å; A64-Y68 HydrophobicContact CB-CE2 4.47Å; A64-Y68 WeakPolarHBondContact O-CB 3.21Å; A64-Y68 WeakPolarHBondContact O-CD2 3.41Å; A64-Y68 PolarHBondContact O-N 3.03Å; A64-L136 HydrophobicContact CB-CB 3.58Å; A64-L136 HydrophobicContact CB-CD1 3.51Å; A64-L136 HydrophobicContact CB-CG 4.14Å
65F92.9Very high88Confident19 Ų1959.9 Ų59.98%0.08334%0.34CS..Hα-helixtrans-58.6-45.7176.2-67.5-8.6000111.4F46 Y48 L61 D62 E63 R69 V97 L136F46-F65 HydrophobicContact CB-CB 3.84Å; F46-F65 HydrophobicContact CB-CD1 3.58Å; F46-F65 HydrophobicContact CB-CD2 3.68Å; F46-F65 HydrophobicContact CB-CE1 4.02Å; F46-F65 HydrophobicContact CB-CE2 4.07Å; F46-F65 HydrophobicContact CB-CG 3.41Å; F46-F65 VanDerWaalsContact CB-CG 3.41Å; F46-F65 HydrophobicContact CB-CZ 4.24Å; F46-F65 HydrophobicContact CD1-CD1 4.11Å; F46-F65 HydrophobicContact CD1-CE1 4.47Å; F46-F65 HydrophobicContact CD2-CB 4.06Å; F46-F65 HydrophobicContact CD2-CG 4.42Å; F46-F65 HydrophobicContact CG-CB 4.13Å; F46-F65 AromaticContact CG-CD1 3.85Å; F46-F65 HydrophobicContact CG-CD1 3.85Å; F46-F65 HydrophobicContact CG-CE1 4.48Å; F46-F65 AromaticContact CG-CG 3.98Å; F46-F65 HydrophobicContact CG-CG 3.98Å; Y48-F65 AromaticContact CD2-CE2 3.86Å; Y48-F65 HydrophobicContact CD2-CE2 3.86Å; Y48-F65 HydrophobicContact CE1-CE2 4.25Å; Y48-F65 HydrophobicContact CE1-CZ 4.28Å; Y48-F65 HydrophobicContact CE2-CD2 4.24Å; Y48-F65 AromaticContact CE2-CE2 3.47Å; Y48-F65 HydrophobicContact CE2-CE2 3.47Å; Y48-F65 VanDerWaalsContact CE2-CE2 3.47Å; Y48-F65 HydrophobicContact CE2-CZ 4.28Å; Y48-F65 HydrophobicContact CG-CE2 4.41Å; Y48-F65 AromaticContact CZ-CE2 3.68Å; L61-F65 HydrophobicContact CB-CE1 4.38Å; L61-F65 HydrophobicContact CB-CZ 4.27Å; L61-F65 VanDerWaalsContact O-CD1 3.24Å; L61-F65 WeakPolarHBondContact O-CD1 3.24Å; L61-F65 WeakPolarHBondContact O-CG 3.39Å; L61-F65 PolarHBondContact O-N 3.07Å; D62-F65 PolarHBondContact O-N 2.01Å; E63-F65 VanDerWaalsContact C-N 3.34Å; F65-R69 WeakPolarHBondContact O-CB 3.4Å; F65-R69 PolarHBondContact O-N 3.09Å; F65-V97 HydrophobicContact CE1-CB 4.13Å; F65-V97 HydrophobicContact CE1-CG1 4.41Å; F65-V97 HydrophobicContact CE1-CG2 3.71Å; F65-V97 HydrophobicContact CZ-CB 3.97Å; F65-V97 HydrophobicContact CZ-CG1 4.47Å; F65-V97 HydrophobicContact CZ-CG2 3.95Å; F65-L136 HydrophobicContact CD1-CD1 3.48Å; F65-L136 VanDerWaalsContact CD1-CD1 3.48Å; F65-L136 HydrophobicContact CE1-CD1 3.51Å
66Q90.3Very high86.6Confident130 Ų13058.3 Ų58.361%0.60735%0.346SS*.Hα-helixtrans-62.1-50.8175.5-66.6178.15.300111.2D62 E63 A64 Y68 R69 D70D62-Q66 PolarHBondContact O-N 2.8Å; E63-Q66 PolarHBondContact O-N 2.84Å; A64-Q66 VanDerWaalsContact C-N 3.33Å; A64-Q66 PolarHBondContact O-N 2.88Å; Q66-Y68 PolarHBondContact O-N 3.28Å; Q66-R69 WeakPolarHBondContact O-CB 3.39Å; Q66-R69 PolarHBondContact O-N 2.69Å; Q66-D70 PolarHBondContact O-N 2.9Å
67R89.3Confident85.3Confident55 Ų5559.7 Ų59.721%0.20836%0.359CS..Hα-helixtrans-60.3-44.7-178.9-178.1-178.565.3-124.70.4113E63 A64 R69 D70 L71 R137 G138E63-R67 VanDerWaalsContact O-CB 3.27Å; E63-R67 WeakPolarHBondContact O-CB 3.28Å; E63-R67 PolarHBondContact O-N 2.72Å; A64-R67 PolarHBondContact O-N 3.4Å; R67-R69 VanDerWaalsContact C-N 3.34Å; R67-D70 PolarHBondContact O-N 3.49Å; R67-L71 HydrophobicContact CG-CD1 4.4Å; R67-L71 WeakPolarHBondContact O-CG 3.26Å; R67-L71 PolarHBondContact O-N 2.88Å; R67-R137 PolarHBondContact NH2-O 3.27Å; R67-G138 PolarHBondContact NH1-O 3.24Å
68Y89.6Confident84.2Confident65 Ų6563.6 Ų63.626%0.25535%0.353SS..Hα-helixtrans-72.5-31.1179.5-82-75.5000111.9A64 Q66 D70 L71 L72 L136A64-Y68 HydrophobicContact CB-CD2 4.26Å; A64-Y68 HydrophobicContact CB-CE2 4.47Å; A64-Y68 WeakPolarHBondContact O-CB 3.21Å; A64-Y68 WeakPolarHBondContact O-CD2 3.41Å; A64-Y68 PolarHBondContact O-N 3.03Å; Q66-Y68 PolarHBondContact O-N 3.28Å; Y68-D70 VanDerWaalsContact C-N 3.34Å; Y68-L71 HydrophobicContact CD1-CD1 4.07Å; Y68-L71 HydrophobicContact CE1-CD1 4.31Å; Y68-L71 PolarHBondContact O-N 2.62Å; Y68-L72 WeakPolarHBondContact O-CB 3.36Å; Y68-L72 VanDerWaalsContact O-CG 3.24Å; Y68-L72 WeakPolarHBondContact O-CG 3.38Å; Y68-L72 PolarHBondContact O-N 2.88Å; Y68-L136 HydrophobicContact CD2-CD1 4.33Å; Y68-L136 HydrophobicContact CD2-CD2 3.68Å; Y68-L136 HydrophobicContact CD2-CG 4.41Å; Y68-L136 HydrophobicContact CE2-CB 4.07Å; Y68-L136 HydrophobicContact CE2-CD2 3.52Å; Y68-L136 HydrophobicContact CE2-CG 4.26Å; Y68-L136 HydrophobicContact CG-CD2 4.44Å
69R90.2Very high83Confident70 Ų7068.6 Ų68.626%0.26439%0.386SS..Hα-helixtrans-60.9-45.3170178160.3-174.365.4-7.1111.5P41 F44 F46 F65 Q66 R67 L71 L72 F73P41-R69 PolarHBondContact O-NH1 3.07Å; P41-R69 PolarHBondContact O-NH2 2.98Å; F44-R69 PolarHBondContact O-NH1 2.84Å; F44-R69 PolarHBondContact O-NH2 2.56Å; F46-R69 HydrophobicContact CE2-CB 4.14Å; F65-R69 WeakPolarHBondContact O-CB 3.4Å; F65-R69 PolarHBondContact O-N 3.09Å; Q66-R69 WeakPolarHBondContact O-CB 3.39Å; Q66-R69 PolarHBondContact O-N 2.69Å; R67-R69 VanDerWaalsContact C-N 3.34Å; R69-L71 VanDerWaalsContact C-N 3.32Å; R69-L71 PolarHBondContact O-N 3.17Å; R69-L72 PolarHBondContact O-N 3.09Å; R69-F73 HydrophobicContact CG-CD2 4.24Å; R69-F73 WeakPolarHBondContact O-CD2 3.5Å; R69-F73 PolarHBondContact O-N 2.84Å
70D88.3Confident81.7Confident104 Ų10477.3 Ų77.356%0.55641%0.412SS*.Hα-helixtrans-66.7-32175.7-66.2-19.3000112.4Q66 R67 Y68 G74Q66-D70 PolarHBondContact O-N 2.9Å; R67-D70 PolarHBondContact O-N 3.49Å; Y68-D70 VanDerWaalsContact C-N 3.34Å; D70-G74 WeakPolarHBondContact O-CA 3.45Å; D70-G74 PolarHBondContact O-N 3.06Å
71L86.6Confident80.3Confident124 Ų12481 Ų8165%0.64944%0.436SS*.Hα-helixtrans-72-38.7174.2-73.2170.1000112.7R67 Y68 R69R67-L71 HydrophobicContact CG-CD1 4.4Å; R67-L71 WeakPolarHBondContact O-CG 3.26Å; R67-L71 PolarHBondContact O-N 2.88Å; Y68-L71 HydrophobicContact CD1-CD1 4.07Å; Y68-L71 HydrophobicContact CE1-CD1 4.31Å; Y68-L71 PolarHBondContact O-N 2.62Å; R69-L71 VanDerWaalsContact C-N 3.32Å; R69-L71 PolarHBondContact O-N 3.17Å
72L86.1Confident78.5Confident83 Ų8391.5 Ų91.544%0.43548%0.477SS..Hα-helixtrans-73.3-38.8-178.9-73.4171.5000112.1F44 F46 Y68 R69F44-L72 HydrophobicContact CE1-CD1 4.22Å; F46-L72 HydrophobicContact CE2-CD1 4.43Å; F46-L72 HydrophobicContact CZ-CD1 3.92Å; Y68-L72 WeakPolarHBondContact O-CB 3.36Å; Y68-L72 VanDerWaalsContact O-CG 3.24Å; Y68-L72 WeakPolarHBondContact O-CG 3.38Å; Y68-L72 PolarHBondContact O-N 2.88Å; R69-L72 PolarHBondContact O-N 3.09Å
73F87.2Confident76.9Confident21 Ų2194 Ų949%0.09249%0.49CS..Hα-helixtrans-117.6-14.8-173-54.5-65.1000114.1L39 P41 F44 R69 W78L39-F73 HydrophobicContact CB-CE1 4.31Å; L39-F73 HydrophobicContact CB-CZ 4.27Å; P41-F73 HydrophobicContact CB-CB 4.13Å; P41-F73 HydrophobicContact CB-CD1 3.64Å; P41-F73 HydrophobicContact CB-CE1 4.2Å; P41-F73 HydrophobicContact CB-CG 3.88Å; P41-F73 HydrophobicContact CG-CD1 3.59Å; P41-F73 HydrophobicContact CG-CE1 4.01Å; P41-F73 HydrophobicContact CG-CG 4.31Å; F44-F73 HydrophobicContact CB-CE2 3.67Å; F44-F73 HydrophobicContact CB-CZ 3.61Å; F44-F73 AromaticContact CD1-CE2 3.5Å; F44-F73 HydrophobicContact CD1-CE2 3.5Å; F44-F73 AromaticContact CD1-CZ 3.94Å; F44-F73 HydrophobicContact CD1-CZ 3.94Å; F44-F73 HydrophobicContact CD2-CZ 4.32Å; F44-F73 HydrophobicContact CE1-CE2 4.31Å; F44-F73 AromaticContact CG-CE2 3.7Å; F44-F73 HydrophobicContact CG-CE2 3.7Å; F44-F73 AromaticContact CG-CZ 3.69Å; F44-F73 HydrophobicContact CG-CZ 3.69Å; R69-F73 HydrophobicContact CG-CD2 4.24Å; R69-F73 WeakPolarHBondContact O-CD2 3.5Å; R69-F73 PolarHBondContact O-N 2.84Å; F73-W78 VanDerWaalsContact CA-CZ2 3.48Å; F73-W78 HydrophobicContact CB-CZ2 4.4Å; F73-W78 WeakPolarHBondContact O-CZ2 3.05Å; F73-W78 PolarHBondContact O-NE1 2.89Å
74G78.1Confident74.9Confident43 Ų4397.7 Ų97.744%0.44352%0.517SS..THydrogen-bonded Turntrans53.5-163.5-179.400000114D70D70-G74 WeakPolarHBondContact O-CA 3.45Å; D70-G74 PolarHBondContact O-N 3.06Å
75S64.8Low72.9Confident138 Ų138100.2 Ų100.297%0.96554%0.543SS*.THydrogen-bonded Turntrans-105.613.9-179.7-43.20000113.5
76G64.1Low70.8Confident53 Ų53110 Ų11055%0.54659%0.586SS.*SBendtrans-95.3159.9-173.800000114.3W78G76-W78 PolarHBondContact O-N 2.74Å
77S63.5Low69.1Low123 Ų123114 Ų11486%0.8660%0.595SS**PPolyproline II helixtrans-71.8119.8170.263.60000110.3P79S77-P79 WeakPolarHBondContact O-CD 3.12Å
78W65.1Low67.4Low145 Ų145120.5 Ų120.555%0.54963%0.627SS.*PPolyproline II helixtrans-86.5118176.8-69.681.1000110.4P41 F73 G76 R80P41-W78 HydrophobicContact CB-CG 4.42Å; P41-W78 HydrophobicContact CG-CB 3.94Å; P41-W78 HydrophobicContact CG-CD2 4.04Å; P41-W78 HydrophobicContact CG-CG 3.59Å; F73-W78 VanDerWaalsContact CA-CZ2 3.48Å; F73-W78 HydrophobicContact CB-CZ2 4.4Å; F73-W78 WeakPolarHBondContact O-CZ2 3.05Å; F73-W78 PolarHBondContact O-NE1 2.89Å; G76-W78 PolarHBondContact O-N 2.74Å; W78-R80 PolarHBondContact O-N 3.33Å
79P64.4Low66Low113 Ų113119.7 Ų119.773%0.73463%0.629SS**PPolyproline II helixtrans-63.6134.717425-30.4000109.2S77S77-P79 WeakPolarHBondContact O-CD 3.12Å
80R60.7Low65.2Low228 Ų228119.8 Ų119.886%0.8663%0.634SS**PPolyproline II helixtrans-60.2129.1170.6-80-177.5176-176.2-1.7108W78 Y82W78-R80 PolarHBondContact O-N 3.33Å; R80-Y82 PolarHBondContact O-N 3.46Å; R80-Y82 VanDerWaalsContact O-N 3.17Å
81P59.7Low65Low76 Ų76119.4 Ų119.449%0.49463%0.629SS.*PPolyproline II helixtrans-59.6125176.922.1-29.8000108.9L83P81-L83 HydrophobicContact CB-CD2 4.39Å; P81-L83 HydrophobicContact CB-CG 4.19Å; P81-L83 HydrophobicContact CG-CD1 4.45Å; P81-L83 HydrophobicContact CG-CG 4.33Å; P81-L83 PolarHBondContact O-N 2.97Å
82Y53.7Low65Low222 Ų222114.6 Ų114.687%0.87160%0.603SS**  trans-70.586170.5-114.1-93.5000107.7R80 T84R80-Y82 PolarHBondContact O-N 3.46Å; R80-Y82 VanDerWaalsContact O-N 3.17Å; Y82-T84 PolarHBondContact O-N 3.28Å; Y82-T84 VanDerWaalsContact O-N 3.09Å
83L57.9Low65.1Low100 Ų100112.2 Ų112.252%0.52459%0.591SS.*  trans-80.785.5179.3-68.5171.2000109.5P81 G85 T89P81-L83 HydrophobicContact CB-CD2 4.39Å; P81-L83 HydrophobicContact CB-CG 4.19Å; P81-L83 HydrophobicContact CG-CD1 4.45Å; P81-L83 HydrophobicContact CG-CG 4.33Å; P81-L83 PolarHBondContact O-N 2.97Å; L83-G85 VanDerWaalsContact C-N 3.31Å; L83-G85 PolarHBondContact O-N 3.38Å; L83-T89 HydrophobicContact CD1-CG2 4.45Å
84T48.1Very low65.3Low140 Ų140113.6 Ų113.686%0.85960%0.601SS**  trans-75.985.4164.5480000109.3Y82Y82-T84 PolarHBondContact O-N 3.28Å; Y82-T84 VanDerWaalsContact O-N 3.09Å
85G50Low66.1Low53 Ų53112.6 Ų112.655%0.54659%0.585SS.*SBendtrans148.3125.4171.300000113L83 R87L83-G85 VanDerWaalsContact C-N 3.31Å; L83-G85 PolarHBondContact O-N 3.38Å; G85-R87 PolarHBondContact O-N 2.94Å
86K48.1Very low67.5Low225 Ų225107.7 Ų107.798%0.97855%0.55SS*.  trans-66.776.2169-66.2-177.4179.7-179.20109.8
87R55.5Low69.1Low213 Ų213105.2 Ų105.280%0.80452%0.524SS*.  trans-96.7132.5157-73.8-174.6172.8-170.5-3106.3G85 T89G85-R87 PolarHBondContact O-N 2.94Å; R87-T89 PolarHBondContact O-N 2.98Å
88H52.8Low70.6Confident191 Ų19199.9 Ų99.988%0.88449%0.487SS*.  trans-57.896.4164.8-90.1-121.3000106.9L90H88-L90 PolarHBondContact O-N 2.81Å
89T60.8Low72Confident49 Ų4993 Ų9330%0.30146%0.461SS..  trans-82.8110.6173.7450000106.7V38 L83 R87 E91V38-T89 HydrophobicContact CG2-CG2 3.91Å; L83-T89 HydrophobicContact CD1-CG2 4.45Å; R87-T89 PolarHBondContact O-N 2.98Å; T89-E91 PolarHBondContact O-N 3.45Å
90L73.7Confident73.4Confident71 Ų7191.3 Ų91.337%0.37245%0.448SS..EExtended strand (participates in β ladder)trans-72.5119.7174.2-66.2169.7000107.7Y37 V38 H88 D122Y37-L90 WeakPolarHBondContact CA-O 3.47Å; Y37-L90 HydrophobicContact CD1-CB 3.81Å; Y37-L90 HydrophobicContact CE1-CB 3.97Å; Y37-L90 HydrophobicContact CE1-CD1 4.35Å; V38-L90 PolarHBondContact N-O 2.91Å; H88-L90 PolarHBondContact O-N 2.81Å; L90-D122 HydrophobicContact CD1-CB 4.3Å; L90-D122 WeakPolarHBondContact CD1-OD1 3.23Å
91E84.3Confident74.8Confident97 Ų9782.6 Ų82.645%0.45342%0.42SS..EExtended strand (participates in β ladder)trans-87.3135-178.2-52.9-172.1160.300108.8Y40 T89Y40-E91 HydrophobicContact CE2-CB 4.38Å; Y40-E91 HydrophobicContact CE2-CG 3.86Å; Y40-E91 WeakPolarHBondContact CE2-OE1 3.45Å; Y40-E91 PolarHBondContact OH-OE1 2.85Å; Y40-E91 VanDerWaalsContact OH-OE1 3.1Å; T89-E91 PolarHBondContact O-N 3.45Å
92K86.4Confident76Confident23 Ų2384.3 Ų84.310%0.143%0.431CS..  trans-119.2100.4172.6-69.8-62.3-168.9176.10108.3Y37 V38 L39 N121 D122 C125Y37-K92 HydrophobicContact CD1-CD 4.45Å; Y37-K92 HydrophobicContact CD1-CG 3.66Å; Y37-K92 HydrophobicContact CE1-CG 4.39Å; Y37-K92 HydrophobicContact CG-CG 3.86Å; V38-K92 PolarHBondContact O-N 3.26Å; L39-K92 HydrophobicContact CD2-CB 3.79Å; L39-K92 WeakPolarHBondContact CD2-O 3.04Å; K92-N121 WeakPolarHBondContact CE-O 3.25Å; K92-N121 PolarHBondContact NZ-O 3.41Å; K92-D122 PolarHBondContact NZ-O 2.62Å; K92-C125 HydrophobicContact CD-CB 4.29Å
93N87.6Confident77.3Confident33 Ų3375 Ų7518%0.17640%0.403CS..  trans-101.2-10.2-177.6-61.9-31.4000112.3F44 Q45F44-N93 CarbonylContact C-O 3.38Å; F44-N93 WeakPolarHBondContact CA-O 3.36Å; Q45-N93 PolarHBondContact N-O 2.69Å
94V91.9Very high78.4Confident49 Ų4971 Ų7130%0.29738%0.383SS..EExtended strand (participates in β ladder)trans-130.9131.3179.3-177.20000109.5Q45 Q47 V96 C125Q45-V94 VanDerWaalsContact O-CA 3.31Å; Q45-V94 WeakPolarHBondContact O-CA 3.37Å; Q47-V94 HydrophobicContact CB-CG1 3.9Å; Q47-V94 VanDerWaalsContact CD-CG1 3.48Å; Q47-V94 HydrophobicContact CG-CG1 3.72Å; V94-V96 HydrophobicContact CG1-CG2 3.97Å; V94-C125 WeakPolarHBondContact O-CB 3.09Å
95L94.2Very high79.7Confident22 Ų2270 Ų7012%0.11537%0.372CS..EExtended strand (participates in β ladder)trans-109.7113.5164.2170.354.8000107.7F44 Q45 F46 Q47 L118 C125 L127F44-L95 HydrophobicContact CE2-CB 4.32Å; F44-L95 HydrophobicContact CZ-CB 3.78Å; Q45-L95 PolarHBondContact O-N 3.22Å; F46-L95 WeakPolarHBondContact CA-O 3.27Å; F46-L95 HydrophobicContact CD1-CB 4.16Å; F46-L95 HydrophobicContact CD1-CD2 3.92Å; F46-L95 HydrophobicContact CD1-CG 4.08Å; F46-L95 HydrophobicContact CE1-CB 4.42Å; F46-L95 HydrophobicContact CE1-CD2 3.52Å; F46-L95 HydrophobicContact CE1-CG 4.2Å; Q47-L95 PolarHBondContact N-O 3.29Å; L95-L118 HydrophobicContact CD1-CD1 4.2Å; L95-C125 HydrophobicContact CD1-CB 4.49Å; L95-C125 WeakPolarHBondContact CD1-O 3.44Å; L95-L127 HydrophobicContact CD1-CB 4.26Å
96V95.4Very high81.2Confident36 Ų3673.1 Ų73.122%0.21837%0.373CS..EExtended strand (participates in β ladder)trans-84.9136.1179.1-177.40000108.9Q47 D49 V94 C125 L126 L127Q47-V96 CarbonylContact O-C 3.4Å; Q47-V96 WeakPolarHBondContact O-CA 3.25Å; D49-V96 HydrophobicContact CB-CG1 3.61Å; V94-V96 HydrophobicContact CG1-CG2 3.97Å; V96-C125 PolarHBondContact N-O 2.92Å; V96-L126 HydrophobicContact CB-CD1 4.09Å; V96-L126 HydrophobicContact CG1-CD1 3.97Å; V96-L126 CarbonylContact O-C 3.52Å; V96-L126 WeakPolarHBondContact O-CA 3.22Å; V96-L127 PolarHBondContact O-N 2.81Å
97V96.1Very high82.8Confident1 Ų166.9 Ų66.91%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-118.6124.1178.7-177.60000108.9Q47 D49 F65 L127 A135Q47-V97 PolarHBondContact O-N 3.19Å; D49-V97 PolarHBondContact N-O 3.24Å; F65-V97 HydrophobicContact CE1-CB 4.13Å; F65-V97 HydrophobicContact CE1-CG1 4.41Å; F65-V97 HydrophobicContact CE1-CG2 3.71Å; F65-V97 HydrophobicContact CZ-CB 3.97Å; F65-V97 HydrophobicContact CZ-CG1 4.47Å; F65-V97 HydrophobicContact CZ-CG2 3.95Å; V97-L127 WeakPolarHBondContact CA-O 3.41Å; V97-L127 HydrophobicContact CG1-CD2 4.29Å; V97-L127 HydrophobicContact CG2-CB 4.34Å; V97-A135 HydrophobicContact CG1-CB 4Å
98S95.6Very high84.1Confident11 Ų1159.6 Ų59.68%0.07733%0.33CS..EExtended strand (participates in β ladder)trans-122.8121178.3-169.20000111L127 L128 S129S98-L127 PolarHBondContact N-O 3.1Å; S98-L128 WeakPolarHBondContact O-CA 3.24Å; S98-S129 PolarHBondContact O-N 3.1Å
99V95.1Very high85.7Confident1 Ų155 Ų551%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-107132170.9-175.90000109.7S52 A53 A54 L61 T101 S129 V132 A135S52-V99 PolarHBondContact OG-N 3.43Å; S52-V99 PolarHBondContact OG-O 3.43Å; A53-V99 PolarHBondContact N-O 3.33Å; A54-V99 HydrophobicContact CB-CB 4.15Å; A54-V99 HydrophobicContact CB-CG2 4.29Å; L61-V99 HydrophobicContact CD1-CG2 3.98Å; V99-T101 WeakPolarHBondContact CG1-O 3.36Å; V99-S129 WeakPolarHBondContact CA-O 3.39Å; V99-V132 HydrophobicContact CG1-CG2 4.09Å; V99-V132 HydrophobicContact CG2-CG2 4.24Å; V99-A135 HydrophobicContact CG2-CB 4.2Å
100V94Very high86.7Confident77 Ų7760.9 Ų60.947%0.46734%0.344SS..SBendtrans-79.7-46-177.9179.80000112.3A53 L128 S129 E130A53-V100 VanDerWaalsContact CB-O 3.26Å; A53-V100 WeakPolarHBondContact CB-O 3.08Å; V100-L128 HydrophobicContact CG2-CD1 4.14Å; V100-S129 PolarHBondContact N-O 2.92Å; V100-S129 VanDerWaalsContact N-O 3.1Å; V100-E130 PolarHBondContact N-O 3.15Å
101T90.4Very high87.3Confident44 Ų4466 Ų6627%0.2737%0.366SS..SBendtrans-93.3139.4-174.458.20000112.6V99 G103 E130 T131V99-T101 WeakPolarHBondContact CG1-O 3.36Å; T101-G103 PolarHBondContact O-N 2.72Å; T101-E130 WeakPolarHBondContact CB-O 3.37Å; T101-E130 HydrophobicContact CG2-CG 4.17Å; T101-E130 WeakPolarHBondContact CG2-O 3.49Å; T101-E130 PolarHBondContact N-O 3.26Å; T101-E130 PolarHBondContact OG1-O 2.83Å; T101-T131 WeakPolarHBondContact OG1-CA 3.33Å; T101-T131 WeakPolarHBondContact OG1-CG2 3.31Å
102P85.1Confident87.3Confident112 Ų11262.6 Ų62.673%0.72735%0.353SS*.  trans-75.2126.5175.630-33.1000110.5A53A53-P102 HydrophobicContact CB-CB 4.27Å
103G81.1Confident87.5Confident27 Ų2764.7 Ų64.728%0.27837%0.368SS..  trans155.5112.5176.300000111.3T101 Q106 V132T101-G103 PolarHBondContact O-N 2.72Å; G103-Q106 VanDerWaalsContact CA-OE1 3.29Å; G103-V132 WeakPolarHBondContact O-CG2 2.93Å
104C80.9Confident87.6Confident17 Ų1769.3 Ų69.312%0.11539%0.388CS..SBendtrans-125-38-177.1179.90000113.4C58 V60 V132C58-C104 WeakPolarHBondContact CA-SG 3.19Å; C58-C104 HydrophobicContact CB-CB 3.82Å; C58-C104 WeakPolarHBondContact CB-SG 3.1Å; C58-C104 WeakPolarHBondContact SG-CB 3.01Å; C58-C104 CovalentContact SG-SG 2.01Å; C58-C104 PolarHBondContact SG-SG 3.1Å; V60-C104 WeakPolarHBondContact CG2-O 3.04Å; C104-V132 HydrophobicContact CB-CG2 4.44Å
105N75.6Confident87.6Confident117 Ų11771 Ų7163%0.62640%0.396SS*.SBendtrans-95.6-0.6-171.5-62.3-29.5000113.9S59S59-N105 PolarHBondContact OG-OD1 3.27Å; S59-N105 VanDerWaalsContact OG-OD1 3.07Å
106Q79.9Confident87.5Confident119 Ų11976.4 Ų76.456%0.55642%0.416SS*.SBendtrans-73164.2174-64.289.40.400111G103 W133G103-Q106 VanDerWaalsContact CA-OE1 3.29Å; Q106-W133 WeakPolarHBondContact O-CH2 3.33Å; Q106-W133 WeakPolarHBondContact O-CZ2 3.39Å
107L81.9Confident87.4Confident94 Ų9478.7 Ų78.749%0.49243%0.429SS..PPolyproline II helixtrans-85.7149.3165.3-73.1168.8000109.5Q142 L145L107-Q142 HydrophobicContact CD2-CB 4.38Å; L107-Q142 HydrophobicContact CD2-CG 4.22Å; L107-L145 HydrophobicContact CD1-CD1 4.19Å; L107-L145 HydrophobicContact CD2-CD1 4.03Å
108P84.3Confident87.2Confident61 Ų6182.8 Ų82.840%0.39645%0.451SS..PPolyproline II helixtrans-65.6150174.428.8-32.1000110.1W133P108-W133 HydrophobicContact CB-CD2 3.87Å; P108-W133 HydrophobicContact CB-CE3 4.27Å; P108-W133 HydrophobicContact CB-CG 4.25Å; P108-W133 HydrophobicContact CB-CZ2 4.17Å; P108-W133 HydrophobicContact CG-CD2 4.42Å; P108-W133 HydrophobicContact CG-CE3 4.35Å; P108-W133 HydrophobicContact CG-CH2 4.34Å; P108-W133 HydrophobicContact CG-CZ2 4.4Å; P108-W133 HydrophobicContact CG-CZ3 4.31Å
109T85Confident87.1Confident93 Ų9384 Ų8457%0.57146%0.458SS*.  trans-113.5170.3173.8630000109.1E111 S112T109-E111 PolarHBondContact O-N 3.18Å; T109-E111 VanDerWaalsContact O-N 3.1Å; T109-E111 PolarHBondContact OG1-N 2.87Å; T109-S112 WeakPolarHBondContact O-CB 3.4Å; T109-S112 PolarHBondContact O-N 3.48Å; T109-S112 PolarHBondContact O-OG 3.24Å; T109-S112 PolarHBondContact OG1-N 2.95Å
110L82.4Confident86.9Confident174 Ų17487.8 Ų87.891%0.91148%0.477SS*.THydrogen-bonded Turntrans-58.6-24.6174.8-17463.9000112.7
111E85.4Confident86.7Confident177 Ų17788 Ų8883%0.82748%0.476SS*.THydrogen-bonded Turntrans-94.40.5-179.1-59.6-179.3166.800112.7T109 V113T109-E111 PolarHBondContact O-N 3.18Å; T109-E111 VanDerWaalsContact O-N 3.1Å; T109-E111 PolarHBondContact OG1-N 2.87Å; E111-V113 PolarHBondContact O-N 2.99Å
112S85.1Confident86.5Confident26 Ų2689.5 Ų89.518%0.18248%0.482CS..  trans-67.7126.2179.963.20000110.8T109 E114T109-S112 WeakPolarHBondContact O-CB 3.4Å; T109-S112 PolarHBondContact O-N 3.48Å; T109-S112 PolarHBondContact O-OG 3.24Å; T109-S112 PolarHBondContact OG1-N 2.95Å; S112-E114 PolarHBondContact O-N 2.91Å
113V89.9Confident86.6Confident67 Ų6791.6 Ų91.641%0.40649%0.488SS..  trans-78.3117-176.1-177.30000110.4E111 N115 E130 T131E111-V113 PolarHBondContact O-N 2.99Å; V113-N115 HydrophobicContact CG1-CB 4.15Å; V113-N115 WeakPolarHBondContact CG1-OD1 3.08Å; V113-E130 HydrophobicContact CB-CB 4.49Å; V113-E130 HydrophobicContact CG1-CB 4.09Å; V113-E130 HydrophobicContact CG1-CG 4.46Å; V113-T131 HydrophobicContact CB-CG2 4.1Å; V113-T131 PolarHBondContact O-OG1 3.44Å
114E89.4Confident86.9Confident130 Ų13094.7 Ų94.761%0.60750%0.495SS*.  trans-103.525-179.2-59.1-171.3166.500113.4S112 W133S112-E114 PolarHBondContact O-N 2.91Å; E114-W133 HydrophobicContact CG-CB 4.14Å
115N91.6Very high87.4Confident86 Ų8694.6 Ų94.646%0.4649%0.494SS..  trans-74.1146.817870.8-12.4000111.5V113 S129 E130V113-N115 HydrophobicContact CG1-CB 4.15Å; V113-N115 WeakPolarHBondContact CG1-OD1 3.08Å; N115-S129 VanDerWaalsContact O-CB 3.32Å; N115-S129 WeakPolarHBondContact O-CB 3.41Å; N115-E130 WeakPolarHBondContact OD1-CB 3.46Å; N115-E130 PolarHBondContact OD1-N 3.45Å
116Y93Very high88.3Confident135 Ų13590.8 Ų90.853%0.52947%0.473SS..EExtended strand (participates in β ladder)trans-149.4152.9172.870.3-89000111.2L128 G134Y116-L128 CarbonylContact C-O 3.58Å; Y116-L128 WeakPolarHBondContact CA-O 3.4Å; Y116-G134 WeakPolarHBondContact CB-O 3.46Å
117T93.8Very high89Confident83 Ų8385.9 Ų85.951%0.50945%0.451SS..EExtended strand (participates in β ladder)trans-125.5121.3171.4-57.80000108.1L128T117-L128 PolarHBondContact N-O 3.49Å; T117-L128 PolarHBondContact O-N 2.86Å
118L92.4Very high89.6Confident87 Ų8784.8 Ų84.846%0.45545%0.445SS..EExtended strand (participates in β ladder)trans-107.4118.3175178.764.1000109.3L95 I120 L127L95-L118 HydrophobicContact CD1-CD1 4.2Å; L118-I120 HydrophobicContact CD1-CD1 4.49Å; L118-I120 HydrophobicContact CD1-CG1 4.26Å; L118-I120 HydrophobicContact CD2-CD1 4.14Å; L118-I120 HydrophobicContact CG-CD1 4.24Å; L118-I120 HydrophobicContact CG-CG1 4.16Å; L118-L127 HydrophobicContact CD1-CB 4.17Å; L118-L127 HydrophobicContact CD1-CD1 4.47Å; L118-L127 HydrophobicContact CD1-CG 4.48Å
119T92.4Very high90.1Very high38 Ų3882 Ų8223%0.23343%0.427CS..EExtended strand (participates in β ladder)trans-116.4120.9-180-56.60000109.5N121 Q124 C125 L126T119-N121 WeakPolarHBondContact CG2-ND2 3.39Å; T119-Q124 HydrophobicContact CG2-CG 4.13Å; T119-C125 WeakPolarHBondContact O-CA 3.44Å; T119-L126 PolarHBondContact N-O 2.65Å; T119-L126 PolarHBondContact O-N 2.89Å
120I90.7Very high90.5Very high79 Ų7981.4 Ų81.441%0.40542%0.418SS..EExtended strand (participates in β ladder)trans-126.692.8178.7-52.9176.3000108.8Y37 L118Y37-I120 HydrophobicContact CD2-CG2 3.83Å; Y37-I120 HydrophobicContact CE2-CG2 3.81Å; L118-I120 HydrophobicContact CD1-CD1 4.49Å; L118-I120 HydrophobicContact CD1-CG1 4.26Å; L118-I120 HydrophobicContact CD2-CD1 4.14Å; L118-I120 HydrophobicContact CG-CD1 4.24Å; L118-I120 HydrophobicContact CG-CG1 4.16Å
121N90Very high90.9Very high83 Ų8374.1 Ų74.144%0.44438%0.381SS..  trans-127.6177.8-178.5-63-15.1000110.3Y37 K92 T119 D123 Q124Y37-N121 WeakPolarHBondContact OH-CA 3.48Å; K92-N121 WeakPolarHBondContact CE-O 3.25Å; K92-N121 PolarHBondContact NZ-O 3.41Å; T119-N121 WeakPolarHBondContact CG2-ND2 3.39Å; N121-D123 VanDerWaalsContact C-N 3.26Å; N121-D123 PolarHBondContact O-N 2.71Å; N121-Q124 PolarHBondContact N-O 2.97Å; N121-Q124 VanDerWaalsContact O-O 3.06Å
122D86.9Confident91.2Very high74 Ų7465.7 Ų65.740%0.39634%0.342SS..SBendtrans-60.5-35.2-179.4-68.3-28.4000113.4Q35 Y37 L90 K92Q35-D122 PolarHBondContact NE2-OD1 3.25Å; Q35-D122 PolarHBondContact NE2-OD2 3.2Å; Y37-D122 VanDerWaalsContact CE1-OD1 3.31Å; Y37-D122 WeakPolarHBondContact CE1-OD1 3.36Å; Y37-D122 PolarHBondContact OH-N 2.85Å; Y37-D122 PolarHBondContact OH-OD1 3.38Å; L90-D122 HydrophobicContact CD1-CB 4.3Å; L90-D122 WeakPolarHBondContact CD1-OD1 3.23Å; K92-D122 PolarHBondContact NZ-O 2.62Å
123D85.9Confident91.4Very high157 Ų15766.5 Ų66.584%0.8434%0.34SS*.SBendtrans-86.9-38.5-177.7-56.1-42.9000112.9N121N121-D123 VanDerWaalsContact C-N 3.26Å; N121-D123 PolarHBondContact O-N 2.71Å
124Q87.4Confident91.3Very high91 Ų9163.6 Ų63.643%0.42533%0.325SS..  trans-137142.5-170.360.3-177-37.200113.1T119 N121T119-Q124 HydrophobicContact CG2-CG 4.13Å; N121-Q124 PolarHBondContact N-O 2.97Å; N121-Q124 VanDerWaalsContact O-O 3.06Å
125C92.1Very high91.1Very high15 Ų1557.8 Ų57.810%0.10130%0.298CS..EExtended strand (participates in β ladder)trans-122.789.7167.1-170.60000104.9K92 V94 L95 V96 T119K92-C125 HydrophobicContact CD-CB 4.29Å; V94-C125 WeakPolarHBondContact O-CB 3.09Å; L95-C125 HydrophobicContact CD1-CB 4.49Å; L95-C125 WeakPolarHBondContact CD1-O 3.44Å; V96-C125 PolarHBondContact N-O 2.92Å; T119-C125 WeakPolarHBondContact O-CA 3.44Å
126L94.3Very high90.7Very high37 Ų3754.4 Ų54.419%0.19428%0.28CS..EExtended strand (participates in β ladder)trans-126.6129.4-167.3176.565.4000110V96 T119V96-L126 HydrophobicContact CB-CD1 4.09Å; V96-L126 HydrophobicContact CG1-CD1 3.97Å; V96-L126 CarbonylContact O-C 3.52Å; V96-L126 WeakPolarHBondContact O-CA 3.22Å; T119-L126 PolarHBondContact N-O 2.65Å; T119-L126 PolarHBondContact O-N 2.89Å
127L95.3Very high89.8Confident16 Ų1656 Ų568%0.08429%0.285CS..EExtended strand (participates in β ladder)trans-106116.5165.3-167.9157000108.1L95 V96 V97 S98 L118 A135L95-L127 HydrophobicContact CD1-CB 4.26Å; V96-L127 PolarHBondContact O-N 2.81Å; V97-L127 WeakPolarHBondContact CA-O 3.41Å; V97-L127 HydrophobicContact CG1-CD2 4.29Å; V97-L127 HydrophobicContact CG2-CB 4.34Å; S98-L127 PolarHBondContact N-O 3.1Å; L118-L127 HydrophobicContact CD1-CB 4.17Å; L118-L127 HydrophobicContact CD1-CD1 4.47Å; L118-L127 HydrophobicContact CD1-CG 4.48Å; L127-A135 HydrophobicContact CD2-CB 3.83Å
128L94.9Very high88.8Confident72 Ų7252.7 Ų52.738%0.37727%0.268SS..EExtended strand (participates in β ladder)trans-109.5133.1176.1179.169000109.8S98 V100 Y116 T117S98-L128 WeakPolarHBondContact O-CA 3.24Å; V100-L128 HydrophobicContact CG2-CD1 4.14Å; Y116-L128 CarbonylContact C-O 3.58Å; Y116-L128 WeakPolarHBondContact CA-O 3.4Å; T117-L128 PolarHBondContact N-O 3.49Å; T117-L128 PolarHBondContact O-N 2.86Å
129S94.4Very high88.1Confident3 Ų348.8 Ų48.82%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-141.1155.2172.567.20000111.9S98 V99 V100 N115 T131 A135S98-S129 PolarHBondContact O-N 3.1Å; V99-S129 WeakPolarHBondContact CA-O 3.39Å; V100-S129 PolarHBondContact N-O 2.92Å; V100-S129 VanDerWaalsContact N-O 3.1Å; N115-S129 VanDerWaalsContact O-CB 3.32Å; N115-S129 WeakPolarHBondContact O-CB 3.41Å; S129-T131 WeakPolarHBondContact CB-O 3.4Å; S129-T131 PolarHBondContact OG-O 3.3Å; S129-A135 WeakPolarHBondContact OG-CB 3.48Å; S129-A135 PolarHBondContact OG-N 3.5Å
130E92.9Very high87.3Confident79 Ų7950.4 Ų50.437%0.36926%0.259SS..SBendtrans-69.2-45.6175.9-169.268-16700110.6V100 T101 V113 N115V100-E130 PolarHBondContact N-O 3.15Å; T101-E130 WeakPolarHBondContact CB-O 3.37Å; T101-E130 HydrophobicContact CG2-CG 4.17Å; T101-E130 WeakPolarHBondContact CG2-O 3.49Å; T101-E130 PolarHBondContact N-O 3.26Å; T101-E130 PolarHBondContact OG1-O 2.83Å; V113-E130 HydrophobicContact CB-CB 4.49Å; V113-E130 HydrophobicContact CG1-CB 4.09Å; V113-E130 HydrophobicContact CG1-CG 4.46Å; N115-E130 WeakPolarHBondContact OD1-CB 3.46Å; N115-E130 PolarHBondContact OD1-N 3.45Å
131T92.1Very high86.7Confident22 Ų2251.9 Ų51.914%0.13526%0.264CS..SBendtrans-124.1166.9179.981.10000111.2T101 V113 S129 W133 G134 A135T101-T131 WeakPolarHBondContact OG1-CA 3.33Å; T101-T131 WeakPolarHBondContact OG1-CG2 3.31Å; V113-T131 HydrophobicContact CB-CG2 4.1Å; V113-T131 PolarHBondContact O-OG1 3.44Å; S129-T131 WeakPolarHBondContact CB-O 3.4Å; S129-T131 PolarHBondContact OG-O 3.3Å; T131-W133 PolarHBondContact O-N 3.38Å; T131-W133 PolarHBondContact OG1-N 3.25Å; T131-G134 PolarHBondContact O-N 3.17Å; T131-A135 PolarHBondContact O-N 3.33Å
132V91.8Very high86Confident0 Ų049.1 Ų49.10%025%0.248CC..Hα-helixtrans-57.5-30.7175.8172.40000112.1A54 V60 L61 V99 G103 C104 G134 A135 L136A54-V132 HydrophobicContact CB-CG2 4.38Å; V60-V132 HydrophobicContact CB-CG1 3.8Å; V60-V132 HydrophobicContact CG1-CG1 3.47Å; V60-V132 VanDerWaalsContact CG1-CG1 3.47Å; L61-V132 HydrophobicContact CD1-CG1 4.49Å; L61-V132 HydrophobicContact CD1-CG2 4.25Å; L61-V132 HydrophobicContact CD2-CG1 4.05Å; L61-V132 HydrophobicContact CG-CG1 3.93Å; V99-V132 HydrophobicContact CG1-CG2 4.09Å; V99-V132 HydrophobicContact CG2-CG2 4.24Å; G103-V132 WeakPolarHBondContact O-CG2 2.93Å; C104-V132 HydrophobicContact CB-CG2 4.44Å; V132-G134 PolarHBondContact O-N 3.12Å; V132-A135 PolarHBondContact O-N 2.96Å; V132-L136 PolarHBondContact O-N 2.84Å
133W88.7Confident85.6Confident42 Ų4250 Ų5016%0.15925%0.249CC..Hα-helixtrans-69.5-32.5-177.9-49.8113.5000113.5Q106 P108 E114 T131Q106-W133 WeakPolarHBondContact O-CH2 3.33Å; Q106-W133 WeakPolarHBondContact O-CZ2 3.39Å; P108-W133 HydrophobicContact CB-CD2 3.87Å; P108-W133 HydrophobicContact CB-CE3 4.27Å; P108-W133 HydrophobicContact CB-CG 4.25Å; P108-W133 HydrophobicContact CB-CZ2 4.17Å; P108-W133 HydrophobicContact CG-CD2 4.42Å; P108-W133 HydrophobicContact CG-CE3 4.35Å; P108-W133 HydrophobicContact CG-CH2 4.34Å; P108-W133 HydrophobicContact CG-CZ2 4.4Å; P108-W133 HydrophobicContact CG-CZ3 4.31Å; E114-W133 HydrophobicContact CG-CB 4.14Å; T131-W133 PolarHBondContact O-N 3.38Å; T131-W133 PolarHBondContact OG1-N 3.25Å
134G87.4Confident85.2Confident7 Ų746.6 Ų46.67%0.07224%0.242CC..Hα-helixtrans-70.9-33.5172.200000112.2Y116 T131 V132Y116-G134 WeakPolarHBondContact CB-O 3.46Å; T131-G134 PolarHBondContact O-N 3.17Å; V132-G134 PolarHBondContact O-N 3.12Å
135A86.1Confident84.9Confident7 Ų747.6 Ų47.66%0.05825%0.25CC..Hα-helixtrans-67.8-60.4-177.700000112.1L61 V97 V99 L127 S129 T131 V132L61-A135 HydrophobicContact CD2-CB 3.99Å; V97-A135 HydrophobicContact CG1-CB 4Å; V99-A135 HydrophobicContact CG2-CB 4.2Å; L127-A135 HydrophobicContact CD2-CB 3.83Å; S129-A135 WeakPolarHBondContact OG-CB 3.48Å; S129-A135 PolarHBondContact OG-N 3.5Å; T131-A135 PolarHBondContact O-N 3.33Å; V132-A135 PolarHBondContact O-N 2.96Å
136L81.5Confident84.2Confident15 Ų1551.5 Ų51.58%0.07927%0.273CS..SBendtrans-150.6153-173.9-61.9173.9000110.9L61 A64 F65 Y68 V132L61-L136 HydrophobicContact CD2-CB 4.28Å; L61-L136 HydrophobicContact CD2-CD1 4.15Å; L61-L136 HydrophobicContact CD2-CG 4.38Å; A64-L136 HydrophobicContact CB-CB 3.58Å; A64-L136 HydrophobicContact CB-CD1 3.51Å; A64-L136 HydrophobicContact CB-CG 4.14Å; F65-L136 HydrophobicContact CD1-CD1 3.48Å; F65-L136 VanDerWaalsContact CD1-CD1 3.48Å; F65-L136 HydrophobicContact CE1-CD1 3.51Å; Y68-L136 HydrophobicContact CD2-CD1 4.33Å; Y68-L136 HydrophobicContact CD2-CD2 3.68Å; Y68-L136 HydrophobicContact CD2-CG 4.41Å; Y68-L136 HydrophobicContact CE2-CB 4.07Å; Y68-L136 HydrophobicContact CE2-CD2 3.52Å; Y68-L136 HydrophobicContact CE2-CG 4.26Å; Y68-L136 HydrophobicContact CG-CD2 4.44Å; V132-L136 PolarHBondContact O-N 2.84Å
137R75.9Confident83.6Confident169 Ų16957.5 Ų57.564%0.63830%0.303SS*.PPolyproline II helixtrans-65151.4-179-65.4-174.7179.3-92.10.8112.9R67R67-R137 PolarHBondContact NH2-O 3.27Å
138G72.1Confident83Confident13 Ų1358.1 Ų58.113%0.13431%0.314CS..PPolyproline II helixtrans-57.9167.3179.800000117R67 Q142 K143R67-G138 PolarHBondContact NH1-O 3.24Å; G138-Q142 VanDerWaalsContact CA-OE1 3.29Å; G138-K143 WeakPolarHBondContact O-CE 3.32Å; G138-K143 PolarHBondContact O-NZ 3.41Å
139T76.6Confident82.3Confident5 Ų556.9 Ų56.93%0.03132%0.318CS..PPolyproline II helixtrans-68.3163.6-179.875.70000112.5V60 E63 E141 Q142 K143V60-T139 HydrophobicContact CB-CG2 4.45Å; V60-T139 HydrophobicContact CG2-CG2 4.14Å; E63-T139 WeakPolarHBondContact OE2-CB 3.03Å; E63-T139 VanDerWaalsContact OE2-CG2 3.25Å; E63-T139 WeakPolarHBondContact OE2-CG2 3.22Å; T139-E141 VanDerWaalsContact C-N 3.28Å; T139-E141 VanDerWaalsContact CB-OE2 3.23Å; T139-E141 WeakPolarHBondContact CB-OE2 3.27Å; T139-E141 PolarHBondContact O-N 2.81Å; T139-E141 PolarHBondContact OG1-N 3.48Å; T139-E141 PolarHBondContact OG1-OE2 3.31Å; T139-Q142 PolarHBondContact O-N 3.34Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.12Å; T139-Q142 PolarHBondContact OG1-N 2.94Å; T139-Q142 VanDerWaalsContact OG1-N 3.1Å; T139-K143 WeakPolarHBondContact O-CB 3.36Å; T139-K143 VanDerWaalsContact O-CG 3.27Å; T139-K143 WeakPolarHBondContact O-CG 3.46Å; T139-K143 PolarHBondContact O-N 3.27Å
140P77.4Confident81.9Confident73 Ų7364.7 Ų64.747%0.47435%0.354SS..Hα-helixtrans-56-39.5170.7-2436.1000113.4E63 K143 A144E63-P140 WeakPolarHBondContact OE2-CD 3.28Å; P140-K143 WeakPolarHBondContact O-CB 3.44Å; P140-K143 PolarHBondContact O-N 2.66Å; P140-A144 PolarHBondContact O-N 2.89Å
141E76.4Confident81.5Confident110 Ų11063.1 Ų63.151%0.51436%0.355SS..Hα-helixtrans-66.9-44.4-179.9-58.166.3-140.900110.1T139 K143 A144 L145T139-E141 VanDerWaalsContact C-N 3.28Å; T139-E141 VanDerWaalsContact CB-OE2 3.23Å; T139-E141 WeakPolarHBondContact CB-OE2 3.27Å; T139-E141 PolarHBondContact O-N 2.81Å; T139-E141 PolarHBondContact OG1-N 3.48Å; T139-E141 PolarHBondContact OG1-OE2 3.31Å; E141-K143 VanDerWaalsContact C-N 3.31Å; E141-K143 PolarHBondContact O-N 3.42Å; E141-A144 WeakPolarHBondContact O-CB 3.14Å; E141-A144 PolarHBondContact O-N 3.23Å; E141-A144 VanDerWaalsContact O-N 3.15Å; E141-L145 PolarHBondContact O-N 3.1Å
142Q76.9Confident81.1Confident24 Ų2466.6 Ų66.611%0.11238%0.379CS..Hα-helixtrans-63.6-38.2174.5-70.5172.9-25.100111.7V60 L107 G138 T139 A144 L145V60-Q142 VanDerWaalsContact CG2-NE2 3.28Å; L107-Q142 HydrophobicContact CD2-CB 4.38Å; L107-Q142 HydrophobicContact CD2-CG 4.22Å; G138-Q142 VanDerWaalsContact CA-OE1 3.29Å; T139-Q142 PolarHBondContact O-N 3.34Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.12Å; T139-Q142 PolarHBondContact OG1-N 2.94Å; T139-Q142 VanDerWaalsContact OG1-N 3.1Å; Q142-A144 VanDerWaalsContact C-N 3.29Å; Q142-A144 PolarHBondContact O-N 3.49Å; Q142-L145 WeakPolarHBondContact O-CB 3.35Å; Q142-L145 PolarHBondContact O-N 3.03Å
143K76.9Confident80.5Confident94 Ų9468.7 Ų68.741%0.40939%0.39SS..Hα-helixtrans-65-33.2174.1-74.3166.6-174.8148.50112.2G138 T139 P140 E141 L145 V146G138-K143 WeakPolarHBondContact O-CE 3.32Å; G138-K143 PolarHBondContact O-NZ 3.41Å; T139-K143 WeakPolarHBondContact O-CB 3.36Å; T139-K143 VanDerWaalsContact O-CG 3.27Å; T139-K143 WeakPolarHBondContact O-CG 3.46Å; T139-K143 PolarHBondContact O-N 3.27Å; P140-K143 WeakPolarHBondContact O-CB 3.44Å; P140-K143 PolarHBondContact O-N 2.66Å; E141-K143 VanDerWaalsContact C-N 3.31Å; E141-K143 PolarHBondContact O-N 3.42Å; K143-L145 PolarHBondContact O-N 3.39Å; K143-V146 VanDerWaalsContact O-CB 3.28Å; K143-V146 WeakPolarHBondContact O-CB 3.32Å; K143-V146 PolarHBondContact O-N 3.18Å; K143-V146 VanDerWaalsContact O-N 3.12Å
144A79Confident80.2Confident84 Ų8477.8 Ų77.869%0.69442%0.424SS*.Hα-helixtrans-67.6-23.4175.700000112.7P140 E141 Q142 V146P140-A144 PolarHBondContact O-N 2.89Å; E141-A144 WeakPolarHBondContact O-CB 3.14Å; E141-A144 PolarHBondContact O-N 3.23Å; E141-A144 VanDerWaalsContact O-N 3.15Å; Q142-A144 VanDerWaalsContact C-N 3.29Å; Q142-A144 PolarHBondContact O-N 3.49Å; A144-V146 VanDerWaalsContact C-N 3.26Å
145L81Confident79.7Confident112 Ų11279.8 Ų79.859%0.58645%0.445SS*.THydrogen-bonded Turntrans-80.1-6.8174-61.3171.7000112.9L107 E141 Q142 K143 I147L107-L145 HydrophobicContact CD1-CD1 4.19Å; L107-L145 HydrophobicContact CD2-CD1 4.03Å; E141-L145 PolarHBondContact O-N 3.1Å; Q142-L145 WeakPolarHBondContact O-CB 3.35Å; Q142-L145 PolarHBondContact O-N 3.03Å; K143-L145 PolarHBondContact O-N 3.39Å; L145-I147 PolarHBondContact O-N 2.89Å
146V76.8Confident79.5Confident97 Ų9787.6 Ų87.659%0.58848%0.48SS*.  trans-74.7110.4175.3179.70000109.3K143 A144 G148K143-V146 VanDerWaalsContact O-CB 3.28Å; K143-V146 WeakPolarHBondContact O-CB 3.32Å; K143-V146 PolarHBondContact O-N 3.18Å; K143-V146 VanDerWaalsContact O-N 3.12Å; A144-V146 VanDerWaalsContact C-N 3.26Å; V146-G148 VanDerWaalsContact C-N 3.33Å; V146-G148 WeakPolarHBondContact CG1-O 3.19Å
147I81.3Confident79.5Confident163 Ų16394.9 Ų94.984%0.83651%0.508SS*.  trans-75.6-19.6-179.357.4173.2000113.6L145 W179L145-I147 PolarHBondContact O-N 2.89Å; I147-W179 PolarHBondContact O-NE1 3.5Å
148G81.9Confident79.7Confident29 Ų2989 Ų8930%0.29949%0.49SS..  trans172.1-163-176.900000113.5V146V146-G148 VanDerWaalsContact C-N 3.33Å; V146-G148 WeakPolarHBondContact CG1-O 3.19Å
149G82.1Confident80.1Confident46 Ų4692 Ų9247%0.47450%0.504SS..  trans-147162.3177.200000111.3
150E84.1Confident80.4Confident167 Ų16799.2 Ų99.278%0.7854%0.542SS*.  trans-96.2152.3178.461.3180-169.400111.9
151A85.6Confident80.7Confident47 Ų47101.4 Ų101.439%0.38855%0.554SS.*  trans-131.3120.2175.300000109.2V174A151-V174 HydrophobicContact CB-CB 4.16Å; A151-V174 HydrophobicContact CB-CG1 4.05Å; A151-V174 HydrophobicContact CB-CG2 4.02Å
152C82.8Confident80.9Confident95 Ų9597.6 Ų97.664%0.64254%0.538SS*.  trans-91.5137178.5-62.20000110.9
153M80.7Confident81.3Confident44 Ų4499.4 Ų99.422%0.21755%0.548CS..  trans-110.4125.3171.7169.9168.4-68.600110V158 R166 L167 R170M153-V158 HydrophobicContact SD-CG1 4.27Å; M153-V158 HydrophobicContact SD-CG2 4.18Å; M153-R166 HydrophobicContact CE-CB 4.24Å; M153-R166 WeakPolarHBondContact CE-O 3.07Å; M153-R166 HydrophobicContact SD-CB 4.07Å; M153-L167 HydrophobicContact CB-CD1 3.76Å; M153-L167 VanDerWaalsContact CE-CA 3.47Å; M153-L167 HydrophobicContact CE-CB 4.17Å; M153-L167 HydrophobicContact CE-CD1 3.98Å; M153-L167 HydrophobicContact SD-CB 4.42Å; M153-L167 HydrophobicContact SD-CD1 4.42Å; M153-R170 HydrophobicContact CE-CB 4.44Å; M153-R170 HydrophobicContact CE-CG 4.48Å
154W80.7Confident81.5Confident232 Ų23298.8 Ų98.888%0.87955%0.552SS**  trans-109.2134.5171.4-53.690.1000109
155G77.6Confident81.5Confident50 Ų5097 Ų9752%0.51553%0.533SS..  trans-172.7143176.600000112.8
156E82.4Confident81.5Confident170 Ų17096.7 Ų96.779%0.79452%0.524SS*.THydrogen-bonded Turntrans-67.4-38.5-176.3-176.6-180-174.600113.2
157Y81.1Confident81.9Confident168 Ų16894.3 Ų94.366%0.65951%0.508SS*.THydrogen-bonded Turntrans-113.848.4-179.6-63.3-79.1000111.7N162 R166Y157-N162 PolarHBondContact O-ND2 3Å; Y157-R166 PolarHBondContact O-NH1 3.35Å
158V79.8Confident82.1Confident45 Ų4593.3 Ų93.327%0.27349%0.494SS..  trans-107.3115.5174.7-178.40000109.2M153 N162 L163M153-V158 HydrophobicContact SD-CG1 4.27Å; M153-V158 HydrophobicContact SD-CG2 4.18Å; V158-N162 VanDerWaalsContact CA-OD1 3.31Å; V158-N162 WeakPolarHBondContact CA-OD1 3.45Å; V158-L163 HydrophobicContact CG1-CB 4.2Å; V158-L163 HydrophobicContact CG1-CD1 3.61Å
159D81.4Confident82.1Confident77 Ų7793.8 Ų93.841%0.41249%0.491SS..  trans-129.1176.3178.670.213.9000110.7T161 N162 L163D159-T161 PolarHBondContact O-N 2.81Å; D159-T161 WeakPolarHBondContact OD1-CA 3.46Å; D159-T161 WeakPolarHBondContact OD1-CB 3.03Å; D159-T161 PolarHBondContact OD1-N 2.59Å; D159-T161 PolarHBondContact OD1-OG1 3.46Å; D159-T161 PolarHBondContact OD2-OG1 3Å; D159-N162 PolarHBondContact N-OD1 3.06Å; D159-N162 PolarHBondContact O-N 3.41Å; D159-N162 VanDerWaalsContact O-N 3.14Å; D159-N162 PolarHBondContact O-OD1 3.5Å; D159-N162 PolarHBondContact OD1-N 2.92Å; D159-N162 PolarHBondContact OD1-ND2 3.17Å; D159-L163 VanDerWaalsContact O-CB 3.22Å; D159-L163 WeakPolarHBondContact O-CB 3.27Å; D159-L163 PolarHBondContact O-N 3.47Å
160N82.7Confident82.3Confident156 Ų15699.2 Ų99.283%0.83450%0.497SS*.THydrogen-bonded Turntrans-61.4-18-178.2-71.110.4000113.8
161T83.1Confident82.4Confident120 Ų12092.3 Ų92.374%0.73647%0.469SS*.THydrogen-bonded Turntrans-83.8-28.5-179.975.80000112.4D159D159-T161 PolarHBondContact O-N 2.81Å; D159-T161 WeakPolarHBondContact OD1-CA 3.46Å; D159-T161 WeakPolarHBondContact OD1-CB 3.03Å; D159-T161 PolarHBondContact OD1-N 2.59Å; D159-T161 PolarHBondContact OD1-OG1 3.46Å; D159-T161 PolarHBondContact OD2-OG1 3Å
162N81.4Confident82.5Confident30 Ų3090.4 Ų90.416%0.1645%0.454CS..THydrogen-bonded Turntrans-119.4-2.5-174.773.230.2000114.4Y157 V158 D159 P165 R166Y157-N162 PolarHBondContact O-ND2 3Å; V158-N162 VanDerWaalsContact CA-OD1 3.31Å; V158-N162 WeakPolarHBondContact CA-OD1 3.45Å; D159-N162 PolarHBondContact N-OD1 3.06Å; D159-N162 PolarHBondContact O-N 3.41Å; D159-N162 VanDerWaalsContact O-N 3.14Å; D159-N162 PolarHBondContact O-OD1 3.5Å; D159-N162 PolarHBondContact OD1-N 2.92Å; D159-N162 PolarHBondContact OD1-ND2 3.17Å; N162-P165 VanDerWaalsContact O-CD 3.31Å; N162-P165 WeakPolarHBondContact O-CD 3.44Å; N162-P165 WeakPolarHBondContact O-CG 3.27Å; N162-R166 WeakPolarHBondContact O-CB 3.31Å; N162-R166 VanDerWaalsContact O-CG 3.27Å; N162-R166 WeakPolarHBondContact O-CG 3.04Å; N162-R166 PolarHBondContact O-N 3.49Å
163L84Confident82.7Confident62 Ų6288.1 Ų88.133%0.32544%0.442SS..Hα-helixtrans-57.8-59.1179.4176.565.1000112V158 D159 R166 L167V158-L163 HydrophobicContact CG1-CB 4.2Å; V158-L163 HydrophobicContact CG1-CD1 3.61Å; D159-L163 VanDerWaalsContact O-CB 3.22Å; D159-L163 WeakPolarHBondContact O-CB 3.27Å; D159-L163 PolarHBondContact O-N 3.47Å; L163-R166 PolarHBondContact O-N 3.33Å; L163-L167 HydrophobicContact CD1-CB 4.5Å; L163-L167 WeakPolarHBondContact O-CB 3.42Å; L163-L167 PolarHBondContact O-N 2.9Å
164V81.7Confident83Confident81 Ų8188.9 Ų88.949%0.49145%0.449SS..Hα-helixtrans-54.6-51.4-178176.60000111.5R166 L167 W168V164-R166 VanDerWaalsContact C-N 3.28Å; V164-R166 PolarHBondContact O-N 2.72Å; V164-L167 PolarHBondContact O-N 3.25Å; V164-W168 VanDerWaalsContact O-CD1 3.31Å; V164-W168 PolarHBondContact O-N 2.63Å
165P79.9Confident83.4Confident47 Ų4779.3 Ų79.331%0.30542%0.419SS..Hα-helixtrans-69.5-23.8-176.426-35.6000115N162 P169 Q205N162-P165 VanDerWaalsContact O-CD 3.31Å; N162-P165 WeakPolarHBondContact O-CD 3.44Å; N162-P165 WeakPolarHBondContact O-CG 3.27Å; P165-P169 VanDerWaalsContact O-CD 3.26Å; P165-P169 WeakPolarHBondContact O-CD 3.33Å; P165-P169 WeakPolarHBondContact O-CG 3.35Å; P165-Q205 VanDerWaalsContact CB-CD 3.44Å; P165-Q205 HydrophobicContact CB-CG 4.39Å; P165-Q205 VanDerWaalsContact CB-OE1 3.27Å
166R80.4Confident83.8Confident104 Ų10478.2 Ų78.239%0.39240%0.401SS..Hα-helixtrans-83.9-38.9174.7-69.8177.6174.1-164.54.2112.3M153 Y157 N162 L163 V164M153-R166 HydrophobicContact CE-CB 4.24Å; M153-R166 WeakPolarHBondContact CE-O 3.07Å; M153-R166 HydrophobicContact SD-CB 4.07Å; Y157-R166 PolarHBondContact O-NH1 3.35Å; N162-R166 WeakPolarHBondContact O-CB 3.31Å; N162-R166 VanDerWaalsContact O-CG 3.27Å; N162-R166 WeakPolarHBondContact O-CG 3.04Å; N162-R166 PolarHBondContact O-N 3.49Å; L163-R166 PolarHBondContact O-N 3.33Å; V164-R166 VanDerWaalsContact C-N 3.28Å; V164-R166 PolarHBondContact O-N 2.72Å
167L85.5Confident83.9Confident47 Ų4775.9 Ų75.925%0.24639%0.385CS..Hα-helixtrans-70.2-54.5-173.9-176.366.6000112.2M153 L163 V164 R170 A171M153-L167 HydrophobicContact CB-CD1 3.76Å; M153-L167 VanDerWaalsContact CE-CA 3.47Å; M153-L167 HydrophobicContact CE-CB 4.17Å; M153-L167 HydrophobicContact CE-CD1 3.98Å; M153-L167 HydrophobicContact SD-CB 4.42Å; M153-L167 HydrophobicContact SD-CD1 4.42Å; L163-L167 HydrophobicContact CD1-CB 4.5Å; L163-L167 WeakPolarHBondContact O-CB 3.42Å; L163-L167 PolarHBondContact O-N 2.9Å; V164-L167 PolarHBondContact O-N 3.25Å; L167-R170 PolarHBondContact O-N 3.22Å; L167-A171 WeakPolarHBondContact O-CB 3.44Å; L167-A171 PolarHBondContact O-N 3.27Å
168W84.6Confident84.1Confident143 Ų14372 Ų7254%0.54238%0.375SS..Hα-helixtrans-58.7-44.2-169.8-80.8101.1000115V164 R170 A171 G172 L201V164-W168 VanDerWaalsContact O-CD1 3.31Å; V164-W168 PolarHBondContact O-N 2.63Å; W168-R170 VanDerWaalsContact C-N 3.27Å; W168-R170 PolarHBondContact O-N 3.47Å; W168-A171 PolarHBondContact O-N 3.18Å; W168-G172 PolarHBondContact O-N 3.24Å; W168-L201 HydrophobicContact CB-CD1 4.09Å
169P83.5Confident84.4Confident39 Ų3977.7 Ų77.725%0.25339%0.392SS..Hα-helixtrans-62.9-32.4176.7-23.934.9000113.5P165 L201P165-P169 VanDerWaalsContact O-CD 3.26Å; P165-P169 WeakPolarHBondContact O-CD 3.33Å; P165-P169 WeakPolarHBondContact O-CG 3.35Å; P169-L201 HydrophobicContact CG-CD1 4.23Å
170R84.8Confident84.5Confident159 Ų15975.7 Ų75.760%0.638%0.383SS*.Hα-helixtrans-81.8-40.6179.1-64.1-178.3-175.8177.7-0.1111.7M153 L167 W168 G172 A173M153-R170 HydrophobicContact CE-CB 4.44Å; M153-R170 HydrophobicContact CE-CG 4.48Å; L167-R170 PolarHBondContact O-N 3.22Å; W168-R170 VanDerWaalsContact C-N 3.27Å; W168-R170 PolarHBondContact O-N 3.47Å; R170-G172 PolarHBondContact O-N 3.47Å; R170-A173 PolarHBondContact O-N 3.46Å
171A87.8Confident84.6Confident22 Ų2273.2 Ų73.218%0.18237%0.37CS..Hα-helixtrans-62.6-29.317400000111.7L167 W168 A173 V174 A175L167-A171 WeakPolarHBondContact O-CB 3.44Å; L167-A171 PolarHBondContact O-N 3.27Å; W168-A171 PolarHBondContact O-N 3.18Å; A171-A173 VanDerWaalsContact C-N 3.27Å; A171-A173 PolarHBondContact O-N 2.89Å; A171-V174 PolarHBondContact O-N 3.48Å; A171-V174 VanDerWaalsContact O-N 3.11Å; A171-A175 WeakPolarHBondContact O-CB 3.46Å; A171-A175 PolarHBondContact O-N 2.83Å
172G87.2Confident84.4Confident7 Ų776.5 Ų76.57%0.07237%0.374CS..Hα-helixtrans-54.8-37.9174.100000114W168 R170 A175 E176W168-G172 PolarHBondContact O-N 3.24Å; R170-G172 PolarHBondContact O-N 3.47Å; G172-A175 PolarHBondContact O-N 3.11Å; G172-E176 WeakPolarHBondContact O-CB 3.39Å; G172-E176 PolarHBondContact O-N 3.04Å
173A86.1Confident84.5Confident47 Ų4782.1 Ų82.139%0.38840%0.403SS..Hα-helixtrans-69.3-40.1176.200000112.3R170 A171 A175 E176 R177 L194R170-A173 PolarHBondContact O-N 3.46Å; A171-A173 VanDerWaalsContact C-N 3.27Å; A171-A173 PolarHBondContact O-N 2.89Å; A173-A175 VanDerWaalsContact C-N 3.35Å; A173-E176 PolarHBondContact O-N 3.1Å; A173-R177 PolarHBondContact O-N 3.15Å; A173-L194 HydrophobicContact CB-CD1 4.31Å
174V88.4Confident84.4Confident61 Ų6182.1 Ų82.137%0.3741%0.406SS..Hα-helixtrans-64.7-44.5175.3-177.40000110.1A151 A171 E176 R177 L178A151-V174 HydrophobicContact CB-CB 4.16Å; A151-V174 HydrophobicContact CB-CG1 4.05Å; A151-V174 HydrophobicContact CB-CG2 4.02Å; A171-V174 PolarHBondContact O-N 3.48Å; A171-V174 VanDerWaalsContact O-N 3.11Å; V174-E176 PolarHBondContact O-N 3.23Å; V174-R177 PolarHBondContact O-N 3.42Å; V174-L178 HydrophobicContact CG1-CD1 3.9Å; V174-L178 HydrophobicContact CG1-CG 4.47Å; V174-L178 WeakPolarHBondContact O-CG 3.26Å; V174-L178 PolarHBondContact O-N 3.4Å
175A87.3Confident84.5Confident31 Ų3182.9 Ų82.926%0.25642%0.415SS..Hα-helixtrans-59-46.9176.900000111.7A171 G172 A173 R177 L178 W179A171-A175 WeakPolarHBondContact O-CB 3.46Å; A171-A175 PolarHBondContact O-N 2.83Å; G172-A175 PolarHBondContact O-N 3.11Å; A173-A175 VanDerWaalsContact C-N 3.35Å; A175-R177 VanDerWaalsContact C-N 3.26Å; A175-R177 PolarHBondContact O-N 2.91Å; A175-L178 PolarHBondContact O-N 3.49Å; A175-L178 VanDerWaalsContact O-N 3.17Å; A175-W179 VanDerWaalsContact CA-CZ3 3.42Å; A175-W179 HydrophobicContact CB-CE3 3.53Å; A175-W179 HydrophobicContact CB-CZ3 3.41Å; A175-W179 VanDerWaalsContact CB-CZ3 3.41Å; A175-W179 PolarHBondContact O-N 2.92Å
176E86.1Confident84.9Confident27 Ų2785 Ų8513%0.12642%0.424CS..Hα-helixtrans-55.1-43.9176.4-178.1-179.5-155.100111.6G172 A173 V174 S180 A190 R193 L194G172-E176 WeakPolarHBondContact O-CB 3.39Å; G172-E176 PolarHBondContact O-N 3.04Å; A173-E176 PolarHBondContact O-N 3.1Å; V174-E176 PolarHBondContact O-N 3.23Å; E176-S180 WeakPolarHBondContact O-CB 3.46Å; E176-S180 PolarHBondContact O-N 3.34Å; E176-S180 PolarHBondContact O-OG 3.43Å; E176-A190 VanDerWaalsContact OE1-CA 3.27Å; E176-A190 WeakPolarHBondContact OE1-CA 3.35Å; E176-A190 VanDerWaalsContact OE1-CB 3.27Å; E176-A190 WeakPolarHBondContact OE1-CB 3.43Å; E176-R193 IonicContact OE1-CZ 3.46Å; E176-R193 IonicContact OE1-NH1 2.63Å; E176-R193 PolarHBondContact OE1-NH1 3.33Å; E176-R193 IonicContact OE1-NH2 3.58Å; E176-L194 HydrophobicContact CB-CD2 4.37Å; E176-L194 WeakPolarHBondContact OE2-CD1 3.43Å; E176-L194 VanDerWaalsContact OE2-CD2 3.31Å; E176-L194 WeakPolarHBondContact OE2-CD2 3.35Å; E176-L194 WeakPolarHBondContact OE2-CG 3.25Å
177R85.8Confident85.2Confident121 Ų12187.1 Ų87.146%0.45744%0.442SS..Hα-helixtrans-69.5-35.4-179.8-169.858.1-89.3165.2-2.6113.2A173 V174 A175 S180 N181 T184A173-R177 PolarHBondContact O-N 3.15Å; V174-R177 PolarHBondContact O-N 3.42Å; A175-R177 VanDerWaalsContact C-N 3.26Å; A175-R177 PolarHBondContact O-N 2.91Å; R177-S180 PolarHBondContact NH2-O 3.38Å; R177-N181 PolarHBondContact NH2-O 2.95Å; R177-T184 PolarHBondContact NH1-O 3.45Å
178L85.2Confident85.3Confident86 Ų8689.4 Ų89.445%0.4546%0.458SS..Hα-helixtrans-73.8-41.1-179.5-72.9169.9000112.8V174 A175V174-L178 HydrophobicContact CG1-CD1 3.9Å; V174-L178 HydrophobicContact CG1-CG 4.47Å; V174-L178 WeakPolarHBondContact O-CG 3.26Å; V174-L178 PolarHBondContact O-N 3.4Å; A175-L178 PolarHBondContact O-N 3.49Å; A175-L178 VanDerWaalsContact O-N 3.17Å
179W84.8Confident85.4Confident165 Ų16587.5 Ų87.563%0.62545%0.454SS*.Hα-helixtrans-99.5-0.6-175.3-70.8-74000114.2I147 A175I147-W179 PolarHBondContact O-NE1 3.5Å; A175-W179 VanDerWaalsContact CA-CZ3 3.42Å; A175-W179 HydrophobicContact CB-CE3 3.53Å; A175-W179 HydrophobicContact CB-CZ3 3.41Å; A175-W179 VanDerWaalsContact CB-CZ3 3.41Å; A175-W179 PolarHBondContact O-N 2.92Å
180S85.1Confident85.6Confident34 Ų3486.7 Ų86.724%0.23845%0.45CS..SBendtrans-89.6149.6170.5-60.30000112E176 R177 K182E176-S180 WeakPolarHBondContact O-CB 3.46Å; E176-S180 PolarHBondContact O-N 3.34Å; E176-S180 PolarHBondContact O-OG 3.43Å; R177-S180 PolarHBondContact NH2-O 3.38Å; S180-K182 PolarHBondContact O-N 3.34Å
181N83.1Confident85.7Confident105 Ų10587.1 Ų87.156%0.56145%0.453SS*.  trans-53.4137.4174.1-172.3-35000110.7R177 L183 T184R177-N181 PolarHBondContact NH2-O 2.95Å; N181-L183 PolarHBondContact O-N 2.94Å; N181-L183 PolarHBondContact OD1-N 3.25Å; N181-T184 WeakPolarHBondContact O-CB 3.15Å; N181-T184 PolarHBondContact O-N 3.29Å
182K79.1Confident85.7Confident188 Ų18892 Ų9282%0.81747%0.472SS*.THydrogen-bonded Turntrans-54.2-34177.8-175.9179.8177-171.60112.7S180 T184S180-K182 PolarHBondContact O-N 3.34Å; K182-T184 VanDerWaalsContact C-N 3.3Å
183L83.4Confident85.7Confident148 Ų14896.5 Ų96.578%0.77549%0.487SS*.THydrogen-bonded Turntrans-77.2-16.5-179.3-60.4177.3000113.1N181 S185N181-L183 PolarHBondContact O-N 2.94Å; N181-L183 PolarHBondContact OD1-N 3.25Å; L183-S185 PolarHBondContact O-N 2.8Å
184T82.6Confident85.8Confident62 Ų6296.7 Ų96.738%0.3848%0.481SS..  trans-81.5105.1177.4-50.60000109.4R177 N181 K182R177-T184 PolarHBondContact NH1-O 3.45Å; N181-T184 WeakPolarHBondContact O-CB 3.15Å; N181-T184 PolarHBondContact O-N 3.29Å; K182-T184 VanDerWaalsContact C-N 3.3Å
185S83.4Confident85.6Confident97 Ų9795.9 Ų95.968%0.67848%0.478SS*.  trans-126.716.2179.165.50000113.6L183 L187L183-S185 PolarHBondContact O-N 2.8Å; S185-L187 PolarHBondContact O-N 2.82Å
186D88.3Confident85.6Confident93 Ų9399.7 Ų99.750%0.49749%0.49SS..  trans-73.9113.9177.4-173.9-14.8000110.8T188 F189 A190D186-T188 PolarHBondContact OD1-N 3.1Å; D186-F189 HydrophobicContact CB-CB 4.13Å; D186-F189 PolarHBondContact OD1-N 3.21Å; D186-A190 WeakPolarHBondContact O-CB 3.43Å; D186-A190 PolarHBondContact O-N 3.07Å
187L87.4Confident85.5Confident148 Ų148102 Ų10278%0.77550%0.5SS*.Hα-helixtrans-72.6-33.8-178.3-62.1176.4000112.7S185 A190 Y191S185-L187 PolarHBondContact O-N 2.82Å; L187-A190 PolarHBondContact O-N 3.35Å; L187-Y191 WeakPolarHBondContact O-CB 3.41Å; L187-Y191 PolarHBondContact O-N 3.05Å
188T88.1Confident85.4Confident95 Ų95103.7 Ų103.758%0.58351%0.507SS*.Hα-helixtrans-68.9-46.6-178.4-57.40000109.7D186 A190 Y191 E192D186-T188 PolarHBondContact OD1-N 3.1Å; T188-A190 VanDerWaalsContact C-N 3.32Å; T188-A190 PolarHBondContact O-N 3.17Å; T188-Y191 PolarHBondContact O-N 3.42Å; T188-E192 PolarHBondContact O-N 3.03Å; T188-E192 VanDerWaalsContact O-N 3.15Å
189F86.9Confident85.2Confident103 Ų103102.8 Ų102.845%0.45251%0.506SS..Hα-helixtrans-63.8-37.2176.9-173.4-109.8000112.7D186 R193D186-F189 HydrophobicContact CB-CB 4.13Å; D186-F189 PolarHBondContact OD1-N 3.21Å; F189-R193 PolarHBondContact O-N 3.17Å
190A87.3Confident85.2Confident21 Ų2199.1 Ų99.117%0.17450%0.497CS..Hα-helixtrans-64.1-45.117400000111.9E176 D186 L187 T188 E192 R193 L194E176-A190 VanDerWaalsContact OE1-CA 3.27Å; E176-A190 WeakPolarHBondContact OE1-CA 3.35Å; E176-A190 VanDerWaalsContact OE1-CB 3.27Å; E176-A190 WeakPolarHBondContact OE1-CB 3.43Å; D186-A190 WeakPolarHBondContact O-CB 3.43Å; D186-A190 PolarHBondContact O-N 3.07Å; L187-A190 PolarHBondContact O-N 3.35Å; T188-A190 VanDerWaalsContact C-N 3.32Å; T188-A190 PolarHBondContact O-N 3.17Å; A190-E192 PolarHBondContact O-N 3.47Å; A190-R193 PolarHBondContact O-N 3.47Å; A190-L194 WeakPolarHBondContact O-CB 3.22Å; A190-L194 WeakPolarHBondContact O-CG 3.36Å; A190-L194 PolarHBondContact O-N 3.01Å
191Y87.3Confident84.9Confident168 Ų16898.8 Ų98.866%0.65949%0.492SS*.Hα-helixtrans-60.4-44.6-179.1-178.6-95000112.8L187 T188 L194 S195L187-Y191 WeakPolarHBondContact O-CB 3.41Å; L187-Y191 PolarHBondContact O-N 3.05Å; T188-Y191 PolarHBondContact O-N 3.42Å; Y191-L194 PolarHBondContact O-N 3.31Å; Y191-S195 VanDerWaalsContact O-CB 3.25Å; Y191-S195 WeakPolarHBondContact O-CB 3.36Å; Y191-S195 PolarHBondContact O-N 3.49Å; Y191-S195 PolarHBondContact O-OG 2.87Å
192E87.6Confident84.5Confident124 Ų12498 Ų9858%0.57949%0.487SS*.Hα-helixtrans-61-47.1178.6-71.1-178.4173.200111.6T188 A190 S195 H196T188-E192 PolarHBondContact O-N 3.03Å; T188-E192 VanDerWaalsContact O-N 3.15Å; A190-E192 PolarHBondContact O-N 3.47Å; E192-S195 PolarHBondContact O-N 3.47Å; E192-H196 PolarHBondContact O-N 3.21Å
193R87.3Confident84.2Confident103 Ų10398 Ų9839%0.38948%0.482SS..Hα-helixtrans-64.6-44.8178.3-79.5178.942.7-99.4-10.5112.9E176 F189 A190 S195 H196 F197E176-R193 IonicContact OE1-CZ 3.46Å; E176-R193 IonicContact OE1-NH1 2.63Å; E176-R193 PolarHBondContact OE1-NH1 3.33Å; E176-R193 IonicContact OE1-NH2 3.58Å; F189-R193 PolarHBondContact O-N 3.17Å; A190-R193 PolarHBondContact O-N 3.47Å; R193-S195 VanDerWaalsContact C-N 3.33Å; R193-S195 PolarHBondContact O-N 2.76Å; R193-H196 PolarHBondContact O-N 3.39Å; R193-F197 WeakPolarHBondContact O-CB 3.41Å; R193-F197 PolarHBondContact O-N 2.93Å
194L87.6Confident83.6Confident51 Ų5196.1 Ų96.127%0.26747%0.472SS..Hα-helixtrans-64.6-37.8177-75.5177.9000112.3A173 E176 A190 Y191 F197 R198A173-L194 HydrophobicContact CB-CD1 4.31Å; E176-L194 HydrophobicContact CB-CD2 4.37Å; E176-L194 WeakPolarHBondContact OE2-CD1 3.43Å; E176-L194 VanDerWaalsContact OE2-CD2 3.31Å; E176-L194 WeakPolarHBondContact OE2-CD2 3.35Å; E176-L194 WeakPolarHBondContact OE2-CG 3.25Å; A190-L194 WeakPolarHBondContact O-CB 3.22Å; A190-L194 WeakPolarHBondContact O-CG 3.36Å; A190-L194 PolarHBondContact O-N 3.01Å; Y191-L194 PolarHBondContact O-N 3.31Å; L194-F197 PolarHBondContact O-N 3.03Å; L194-R198 WeakPolarHBondContact O-CB 3.34Å; L194-R198 PolarHBondContact O-N 3.14Å
195S84.8Confident82.6Confident43 Ų4396.9 Ų96.930%0.30147%0.471SS..Hα-helixtrans-64-44.9177.4-64.10000111Y191 E192 R193 R198 C199Y191-S195 VanDerWaalsContact O-CB 3.25Å; Y191-S195 WeakPolarHBondContact O-CB 3.36Å; Y191-S195 PolarHBondContact O-N 3.49Å; Y191-S195 PolarHBondContact O-OG 2.87Å; E192-S195 PolarHBondContact O-N 3.47Å; R193-S195 VanDerWaalsContact C-N 3.33Å; R193-S195 PolarHBondContact O-N 2.76Å; S195-R198 PolarHBondContact O-N 2.88Å; S195-C199 PolarHBondContact O-N 3.33Å; S195-C199 VanDerWaalsContact O-N 3.17Å; S195-C199 PolarHBondContact O-SG 3.06Å
196H85.9Confident81.2Confident111 Ų11195.6 Ų95.651%0.51447%0.474SS..Hα-helixtrans-61.6-48.9173.8-173.7-91.5000111.9E192 R193 R198 C199 E200E192-H196 PolarHBondContact O-N 3.21Å; R193-H196 PolarHBondContact O-N 3.39Å; H196-R198 VanDerWaalsContact C-N 3.31Å; H196-R198 PolarHBondContact O-N 3.31Å; H196-C199 WeakPolarHBondContact O-CB 3.44Å; H196-C199 PolarHBondContact O-N 3.37Å; H196-C199 VanDerWaalsContact O-N 3.07Å; H196-E200 IonicContact CE1-OE1 3.17Å; H196-E200 PolarHBondContact CE1-OE1 3.3Å; H196-E200 IonicContact ND1-OE1 3.81Å; H196-E200 PolarHBondContact O-N 2.81Å
197F85.1Confident79.3Confident77 Ų77100.8 Ų100.834%0.33849%0.487SS..Hα-helixtrans-58.2-41.5179-178.3-112.2000112.4R193 L194 C199 E200 L201R193-F197 WeakPolarHBondContact O-CB 3.41Å; R193-F197 PolarHBondContact O-N 2.93Å; L194-F197 PolarHBondContact O-N 3.03Å; F197-C199 PolarHBondContact O-N 2.97Å; F197-E200 PolarHBondContact O-N 3.38Å; F197-L201 HydrophobicContact CD1-CD1 3.92Å; F197-L201 HydrophobicContact CE1-CD1 3.45Å; F197-L201 VanDerWaalsContact CE1-CD1 3.45Å; F197-L201 HydrophobicContact CE1-CG 4.17Å; F197-L201 HydrophobicContact CE2-CG 4.43Å; F197-L201 HydrophobicContact CZ-CD1 3.81Å; F197-L201 HydrophobicContact CZ-CD2 4.25Å; F197-L201 HydrophobicContact CZ-CG 4.13Å; F197-L201 WeakPolarHBondContact O-CG 3.31Å; F197-L201 PolarHBondContact O-N 2.97Å
198R82.9Confident77.2Confident156 Ų156105.6 Ų105.659%0.58949%0.494SS*.Hα-helixtrans-60.2-44.8174177.5179.8173.1-178.8-2.5111.8L194 S195 H196 E200 L201 L202L194-R198 WeakPolarHBondContact O-CB 3.34Å; L194-R198 PolarHBondContact O-N 3.14Å; S195-R198 PolarHBondContact O-N 2.88Å; H196-R198 VanDerWaalsContact C-N 3.31Å; H196-R198 PolarHBondContact O-N 3.31Å; R198-E200 VanDerWaalsContact C-N 3.33Å; R198-E200 PolarHBondContact O-N 3.05Å; R198-L201 PolarHBondContact O-N 3.31Å; R198-L202 HydrophobicContact CG-CD1 4.2Å; R198-L202 WeakPolarHBondContact O-CG 3.39Å; R198-L202 PolarHBondContact O-N 3.07Å
199C81.9Confident74.9Confident66 Ų66108.6 Ų108.645%0.44650%0.504SS..Hα-helixtrans-63-38.5178.2-73.50000112.2S195 H196 F197 R203S195-C199 PolarHBondContact O-N 3.33Å; S195-C199 VanDerWaalsContact O-N 3.17Å; S195-C199 PolarHBondContact O-SG 3.06Å; H196-C199 WeakPolarHBondContact O-CB 3.44Å; H196-C199 PolarHBondContact O-N 3.37Å; H196-C199 VanDerWaalsContact O-N 3.07Å; F197-C199 PolarHBondContact O-N 2.97Å; C199-R203 WeakPolarHBondContact O-CG 3.31Å; C199-R203 PolarHBondContact O-N 2.9Å
200E83.4Confident72.4Confident89 Ų89109.4 Ų109.442%0.41652%0.521SS..Hα-helixtrans-63.2-46173.4-71.4-172.715100112.2H196 F197 R198 L202 R203 L204H196-E200 IonicContact CE1-OE1 3.17Å; H196-E200 PolarHBondContact CE1-OE1 3.3Å; H196-E200 IonicContact ND1-OE1 3.81Å; H196-E200 PolarHBondContact O-N 2.81Å; F197-E200 PolarHBondContact O-N 3.38Å; R198-E200 VanDerWaalsContact C-N 3.33Å; R198-E200 PolarHBondContact O-N 3.05Å; E200-L202 VanDerWaalsContact C-N 3.32Å; E200-L202 PolarHBondContact O-N 3.46Å; E200-R203 WeakPolarHBondContact O-CB 3.42Å; E200-R203 PolarHBondContact O-N 3.1Å; E200-R203 VanDerWaalsContact O-N 3.14Å; E200-L204 WeakPolarHBondContact O-CG 3.27Å; E200-L204 PolarHBondContact O-N 2.98Å
201L79.1Confident69.7Low26 Ų26114.8 Ų114.814%0.13655%0.546CS..Hα-helixtrans-60.8-40.8178.3-72.7177.6000112.5W168 P169 F197 R198 L204 Q205W168-L201 HydrophobicContact CB-CD1 4.09Å; P169-L201 HydrophobicContact CG-CD1 4.23Å; F197-L201 HydrophobicContact CD1-CD1 3.92Å; F197-L201 HydrophobicContact CE1-CD1 3.45Å; F197-L201 VanDerWaalsContact CE1-CD1 3.45Å; F197-L201 HydrophobicContact CE1-CG 4.17Å; F197-L201 HydrophobicContact CE2-CG 4.43Å; F197-L201 HydrophobicContact CZ-CD1 3.81Å; F197-L201 HydrophobicContact CZ-CD2 4.25Å; F197-L201 HydrophobicContact CZ-CG 4.13Å; F197-L201 WeakPolarHBondContact O-CG 3.31Å; F197-L201 PolarHBondContact O-N 2.97Å; R198-L201 PolarHBondContact O-N 3.31Å; L201-L204 PolarHBondContact O-N 2.84Å; L201-Q205 WeakPolarHBondContact O-CG 3.4Å; L201-Q205 PolarHBondContact O-N 2.85Å
202L74.3Confident67Low90 Ų90116.9 Ų116.947%0.47155%0.553SS.*Hα-helixtrans-65.8-37.8175.7-69.6172.6000111.9R198 E200 L204 Q205 G206R198-L202 HydrophobicContact CG-CD1 4.2Å; R198-L202 WeakPolarHBondContact O-CG 3.39Å; R198-L202 PolarHBondContact O-N 3.07Å; E200-L202 VanDerWaalsContact C-N 3.32Å; E200-L202 PolarHBondContact O-N 3.46Å; L202-L204 VanDerWaalsContact C-N 3.33Å; L202-Q205 PolarHBondContact O-N 3.05Å; L202-G206 PolarHBondContact O-N 3.43Å
203R74.1Confident64.4Low186 Ų186118.7 Ų118.770%0.70257%0.565SS**Hα-helixtrans-63.4-38.6174-78.4175.3166153.5-1.8112.2C199 E200C199-R203 WeakPolarHBondContact O-CG 3.31Å; C199-R203 PolarHBondContact O-N 2.9Å; E200-R203 WeakPolarHBondContact O-CB 3.42Å; E200-R203 PolarHBondContact O-N 3.1Å; E200-R203 VanDerWaalsContact O-N 3.14Å
204L69.8Low61.8Low110 Ų110124.3 Ų124.358%0.57659%0.586SS**Hα-helixtrans-73.5-35.6178.5-67.3174.7000112.4E200 L201 L202 G206 R207E200-L204 WeakPolarHBondContact O-CG 3.27Å; E200-L204 PolarHBondContact O-N 2.98Å; L201-L204 PolarHBondContact O-N 2.84Å; L202-L204 VanDerWaalsContact C-N 3.33Å; L204-G206 VanDerWaalsContact C-N 3.25Å; L204-G206 PolarHBondContact O-N 3.22Å; L204-R207 CarbonylContact O-C 3.55Å; L204-R207 PolarHBondContact O-N 3.23Å
205Q62.4Low59.3Low77 Ų77125.1 Ų125.136%0.3661%0.608SS.*Hα-helixtrans-64.1-27.7176.3-78.6169.11800113.8P165 L201 L202 R207P165-Q205 VanDerWaalsContact CB-CD 3.44Å; P165-Q205 HydrophobicContact CB-CG 4.39Å; P165-Q205 VanDerWaalsContact CB-OE1 3.27Å; L201-Q205 WeakPolarHBondContact O-CG 3.4Å; L201-Q205 PolarHBondContact O-N 2.85Å; L202-Q205 PolarHBondContact O-N 3.05Å; Q205-R207 PolarHBondContact O-N 3.14Å
206G53.3Low56.8Low71 Ų71133 Ų13373%0.73264%0.636SS**THydrogen-bonded Turntrans-70.1-13.2171.400000114.2L202 L204L202-G206 PolarHBondContact O-N 3.43Å; L204-G206 VanDerWaalsContact C-N 3.25Å; L204-G206 PolarHBondContact O-N 3.22Å
207R48.3Very low54.3Low202 Ų202137.4 Ų137.476%0.76265%0.654SS**SBendtrans-115.597.8174.5-65.3-177.1-177.8-167.80.4108L204 Q205 M209L204-R207 CarbonylContact O-C 3.55Å; L204-R207 PolarHBondContact O-N 3.23Å; Q205-R207 PolarHBondContact O-N 3.14Å; R207-M209 PolarHBondContact O-N 3.37Å
208R43.8Very low51.9Low249 Ų249140.3 Ų140.394%0.9468%0.678SS**  trans-36.9106.4173.3-78.6-177.6-94.1-175.6-6.7110.3C210R208-C210 VanDerWaalsContact C-N 3.32Å; R208-C210 PolarHBondContact O-N 2.77Å
209M39.6Very low49.7Very low158 Ų158138 Ų13878%0.77868%0.681SS**  trans-70.892.8179-177.8158.5159.900107.5R207 L211R207-M209 PolarHBondContact O-N 3.37Å; M209-L211 HydrophobicContact CE-CG 4.33Å; M209-L211 PolarHBondContact O-N 3.01Å; M209-L211 VanDerWaalsContact O-N 3.1Å
210C35.2Very low47.1Very low119 Ų119143.8 Ų143.880%0.80470%0.698SS**  trans-74.495.8168.4-156.40000106.7R208 R212R208-C210 VanDerWaalsContact C-N 3.32Å; R208-C210 PolarHBondContact O-N 2.77Å; C210-R212 VanDerWaalsContact C-N 3.26Å; C210-R212 PolarHBondContact O-N 2.91Å
211L30.8Very low44.8Very low135 Ų135146.4 Ų146.471%0.70772%0.715SS**  trans-6193.7164.9-94.7156.9000107.6M209 L213M209-L211 HydrophobicContact CE-CG 4.33Å; M209-L211 PolarHBondContact O-N 3.01Å; M209-L211 VanDerWaalsContact O-N 3.1Å; L211-L213 VanDerWaalsContact C-N 3.34Å; L211-L213 PolarHBondContact O-N 2.9Å
212R29.3Very low42.6Very low212 Ų212151 Ų15180%0.875%0.745SS**  trans-7295.6167-164.5174.7-166.8168.84.2106.6C210 R214C210-R212 VanDerWaalsContact C-N 3.26Å; C210-R212 PolarHBondContact O-N 2.91Å; R212-R214 PolarHBondContact O-N 3.04Å
213L33.9Very low40.9Very low162 Ų162155.3 Ų155.385%0.84876%0.762SS**  trans-5992.5164.1-68172.3000107.4L211 G215L211-L213 VanDerWaalsContact C-N 3.34Å; L211-L213 PolarHBondContact O-N 2.9Å; L213-G215 PolarHBondContact O-N 3.39Å; L213-G215 VanDerWaalsContact O-N 3.1Å
214R33.3Very low39Very low220 Ų220152.9 Ų152.983%0.8376%0.763SS**  trans-70.2103.6164-85.7-168.5179.2-172.51.4106.2R212 K216R212-R214 PolarHBondContact O-N 3.04Å; R214-K216 PolarHBondContact O-N 3.36Å
215G34Very low37.4Very low69 Ų69157.2 Ų157.271%0.71177%0.772SS**  trans-51.1122.616400000109.1L213 K217L213-G215 PolarHBondContact O-N 3.39Å; L213-G215 VanDerWaalsContact O-N 3.1Å; G215-K217 PolarHBondContact O-N 2.64Å; G215-K217 VanDerWaalsContact O-N 3.1Å
216K33Very low36.2Very low207 Ų207160 Ų16090%0.979%0.79SS**  trans-59.7109.8167-75.9-177.7173.6-1790107.4R214R214-K216 PolarHBondContact O-N 3.36Å
217K32Very low35.5Very low204 Ų204167.1 Ų167.189%0.88782%0.818SS**PPolyproline II helixtrans-77119.9151.5-90.9-171.5175.4-176.10106.6G215G215-K217 PolarHBondContact O-N 2.64Å; G215-K217 VanDerWaalsContact O-N 3.1Å
218V36.1Very low34.8Very low138 Ų138165.4 Ų165.484%0.83682%0.821SS**PPolyproline II helixtrans-61.7129.8171.7172.20000108.3
219V35.7Very low34.4Very low107 Ų107160.9 Ų160.965%0.64882%0.815SS**PPolyproline II helixtrans-62.6134.9171.11730000108.7
220K28.3Very low34.1Very low188 Ų188161.1 Ų161.182%0.81782%0.817SS**  trans-126.198.1156.6-152.7179.4-172.8-175.10106.7T222K220-T222 PolarHBondContact O-N 3.48Å
221D34.5Very low34Very low145 Ų145163.6 Ų163.678%0.77582%0.817SS**  trans-68121.3163.7-66.7-42.9000107.2
222T32.8Very low34.2Very low123 Ų123165.4 Ų165.476%0.75582%0.824SS**  trans-143110.5153.841.40000108.1K220K220-T222 PolarHBondContact O-N 3.48Å
223E39.5Very low34.5Very low180 Ų180162.3 Ų162.384%0.84183%0.826SS**  trans-57.2134.2161.4-173.4168.6-169.300111.5
224D32.5Very low34.6Very low135 Ų135162.3 Ų162.372%0.72282%0.824SS**  trans-176.4107.7146.5-99.3-24.7000107.1
225R38.2Very low34.7Very low200 Ų200157.8 Ų157.876%0.75582%0.824SS**  64.4116.487.6-96.6-164.2-76.9-163.5-7115.4
226D36.3Very low34.7Very low137 Ų137165.3 Ų165.373%0.73383%0.833SS**  trans71.2129.9141.6-52.9-32.6000121.6
227V37.9Very low34.9Very low219 Ų219161.5 Ų161.5100%1.32783%0.827SS**  trans100.80160.6-167.40000116.6

Retrieved 227 of 227 residues in 227.2 ms (Link to these results)