MEF2C_RAT Loading...

Myocyte-specific enhancer factor 2C

Transcription activator which binds specifically to the MEF2 element present in the regulatory regions of many muscle-specific genes1. Controls cardiac morphogenesis and myogenesis, and is also involved in vascular development. Enhances transcriptional activation mediated by SOX18. Plays an essential role in hippocampal-dependent learning and memory by suppressing the number of excitatory synapses and thus regulating basal and evoked synaptic transmission. Crucial for normal neuronal development, distribution, and electrical activity in the neocortex. Necessary for proper development of megakaryocytes and platelets and for bone marrow B-lymphopoiesis. Required for B-cell survival and proliferation in response to BCR stimulation, efficient IgG1 antibody responses to T-cell-dependent antigens and for normal induction of germinal center B-cells. May also be involved in neurogenesis and in the development of cortical architecture (By similarity).

AlphaFold DB , UniProt , Accession A0A096MJY4, Species RAT (Rattus norvegicus, Rat), Gene Mef2c, Length 473 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
1M75.4Confident93.9Very high242 Ų242151.5 Ų151.5100%1.19272%0.719SS**  0162.10-168.249.580.700109.7
2G87.3Confident94.3Very high53 Ų53151.4 Ų151.455%0.54672%0.721SS.*  trans-77.7159.9170.100000112.6K4G2-K4 VanDerWaalsContact C-N 3.27Å; G2-K4 PolarHBondContact O-N 3.4Å
3R95.2Very high94.6Very high261 Ų261145.8 Ų145.899%0.98570%0.698SS**SBendtrans-63.5-27.2-179.2-71.5-174.4179.6177-1.9114.2
4K96.2Very high94.8Very high184 Ų184142.4 Ų142.480%0.868%0.68SS**SBendtrans-145.8150.1174.7-65.3-170.6177.1-173.70109.1G2G2-K4 VanDerWaalsContact C-N 3.27Å; G2-K4 PolarHBondContact O-N 3.4Å
5K95.7Very high95.1Very high206 Ų206146.2 Ų146.290%0.89669%0.685SS**  trans-67.7144165.7-171.8176-179.4-179.80108.5
6I96.1Very high95.3Very high92 Ų92143.2 Ų143.247%0.47268%0.675SS.*  trans-124.7152.6173.270.3171.4000109.7
7Q96.8Very high95.4Very high157 Ų157137.6 Ų137.673%0.73465%0.646SS**  trans-71.7155.3167.9-66.6178.1-900110.2T9Q7-T9 VanDerWaalsContact C-N 3.31Å; Q7-T9 HydrophobicContact CB-CG2 4.28Å; Q7-T9 PolarHBondContact O-N 3.47Å
8I96.8Very high95.6Very high149 Ų149135 Ų13576%0.76463%0.634SS**SBendtrans-90.873.1175.8-52.6-56.7000108.6
9T97.7Very high95.7Very high97 Ų97132.1 Ų132.160%0.59563%0.626SS**SBendtrans-131.8170179.354.70000110.2Q7 I11Q7-T9 VanDerWaalsContact C-N 3.31Å; Q7-T9 HydrophobicContact CB-CG2 4.28Å; Q7-T9 PolarHBondContact O-N 3.47Å; T9-I11 PolarHBondContact O-N 3.21Å
10R98Very high95.9Very high173 Ų173127.4 Ų127.465%0.65361%0.606SS**  trans-64.9117.1178.4-176.9174.6-178.2152.3-0.2110.1M12R10-M12 HydrophobicContact CG-SD 4.29Å; R10-M12 PolarHBondContact O-N 3.42Å
11I98.2Very high96Very high53 Ų53123.6 Ų123.627%0.27259%0.587SS.*  trans-63.9116.8169.9-61.4168.2000107.8T9 N16 R17 T20T9-I11 PolarHBondContact O-N 3.21Å; I11-N16 HydrophobicContact CG2-CB 4.06Å; I11-R17 HydrophobicContact CB-CB 4.2Å; I11-R17 HydrophobicContact CG2-CB 4.04Å; I11-R17 PolarHBondContact O-NH1 3.34Å; I11-T20 HydrophobicContact CD1-CG2 3.73Å
12M98.2Very high97.1Very high150 Ų150115.6 Ų115.674%0.73955%0.552SS**  trans-78.5-42.5-172.1-64.5-57.7-72.500113.2R10 E14 R17R10-M12 HydrophobicContact CG-SD 4.29Å; R10-M12 PolarHBondContact O-N 3.42Å; M12-E14 PolarHBondContact O-N 3.24Å; M12-R17 PolarHBondContact O-NH1 3.41Å
13D98Very high97.6Very high79 Ų79120.6 Ų120.642%0.42256%0.559SS.*SBendtrans-65.1127.2173164.944.5000111.5R15 N16 R17D13-R15 PolarHBondContact O-N 2.95Å; D13-R15 PolarHBondContact OD1-N 3.25Å; D13-N16 VanDerWaalsContact OD2-CB 3.23Å; D13-N16 WeakPolarHBondContact OD2-CB 3.43Å; D13-N16 VanDerWaalsContact OD2-CG 3.29Å; D13-N16 PolarHBondContact OD2-N 3.41Å; D13-N16 PolarHBondContact OD2-ND2 3.34Å; D13-R17 WeakPolarHBondContact O-CB 3.47Å; D13-R17 PolarHBondContact O-N 3.49Å
14E98.2Very high97.7Very high97 Ų97114.8 Ų114.845%0.45354%0.537SS..Hα-helixtrans-64.9-37.8179.9-170.765.1-83.700112.6M12 R17 Q18M12-E14 PolarHBondContact O-N 3.24Å; E14-R17 PolarHBondContact O-N 2.81Å; E14-R17 IonicContact OE1-CZ 3.55Å; E14-R17 VanDerWaalsContact OE1-CZ 3.31Å; E14-R17 IonicContact OE1-NE 3.63Å; E14-R17 PolarHBondContact OE1-NE 3.39Å; E14-R17 IonicContact OE1-NH2 2.69Å; E14-R17 PolarHBondContact OE1-NH2 3.1Å; E14-R17 IonicContact OE2-CZ 3.93Å; E14-R17 IonicContact OE2-NE 3.22Å; E14-R17 IonicContact OE2-NH2 3.31Å; E14-R17 PolarHBondContact OE2-NH2 3.38Å; E14-Q18 WeakPolarHBondContact O-CB 3.4Å; E14-Q18 PolarHBondContact O-N 3.21Å
15R98.3Very high97.9Very high200 Ų200108.1 Ų108.176%0.75551%0.508SS*.Hα-helixtrans-66.6-49.2-176.3-173.2179.3-69.1-179.5-0.6110.7D13 R17 V19D13-R15 PolarHBondContact O-N 2.95Å; D13-R15 PolarHBondContact OD1-N 3.25Å; R15-R17 VanDerWaalsContact C-N 3.35Å; R15-V19 WeakPolarHBondContact O-CG2 3.48Å; R15-V19 PolarHBondContact O-N 2.94Å; R15-V19 VanDerWaalsContact O-N 3.09Å
16N98Very high98Very high98 Ų98105.2 Ų105.252%0.52450%0.496SS..Hα-helixtrans-67.3-34174.4-75.9-63.9000112.2I11 D13 T20I11-N16 HydrophobicContact CG2-CB 4.06Å; D13-N16 VanDerWaalsContact OD2-CB 3.23Å; D13-N16 WeakPolarHBondContact OD2-CB 3.43Å; D13-N16 VanDerWaalsContact OD2-CG 3.29Å; D13-N16 PolarHBondContact OD2-N 3.41Å; D13-N16 PolarHBondContact OD2-ND2 3.34Å; N16-T20 WeakPolarHBondContact O-CB 3.21Å; N16-T20 PolarHBondContact O-N 3.45Å; N16-T20 PolarHBondContact O-OG1 2.69Å
17R98.5Very high98.1Very high49 Ų49102.5 Ų102.519%0.18549%0.49CS..Hα-helixtrans-61.5-51.3174.5174.2165.959.5-125.18.8111.3I11 M12 D13 E14 R15 T20 F21I11-R17 HydrophobicContact CB-CB 4.2Å; I11-R17 HydrophobicContact CG2-CB 4.04Å; I11-R17 PolarHBondContact O-NH1 3.34Å; M12-R17 PolarHBondContact O-NH1 3.41Å; D13-R17 WeakPolarHBondContact O-CB 3.47Å; D13-R17 PolarHBondContact O-N 3.49Å; E14-R17 PolarHBondContact O-N 2.81Å; E14-R17 IonicContact OE1-CZ 3.55Å; E14-R17 VanDerWaalsContact OE1-CZ 3.31Å; E14-R17 IonicContact OE1-NE 3.63Å; E14-R17 PolarHBondContact OE1-NE 3.39Å; E14-R17 IonicContact OE1-NH2 2.69Å; E14-R17 PolarHBondContact OE1-NH2 3.1Å; E14-R17 IonicContact OE2-CZ 3.93Å; E14-R17 IonicContact OE2-NE 3.22Å; E14-R17 IonicContact OE2-NH2 3.31Å; E14-R17 PolarHBondContact OE2-NH2 3.38Å; R15-R17 VanDerWaalsContact C-N 3.35Å; R17-T20 PolarHBondContact O-N 3.18Å; R17-F21 WeakPolarHBondContact O-CB 3.43Å; R17-F21 PolarHBondContact O-N 3Å
18Q98.3Very high98.2Very high90 Ų9099.3 Ų99.342%0.42148%0.478SS..Hα-helixtrans-65-43.7-179.7-179.459.113.700112.7E14 T20 F21 T22E14-Q18 WeakPolarHBondContact O-CB 3.4Å; E14-Q18 PolarHBondContact O-N 3.21Å; Q18-T20 VanDerWaalsContact C-N 3.34Å; Q18-T20 PolarHBondContact O-N 2.86Å; Q18-F21 PolarHBondContact O-N 3.38Å; Q18-T22 PolarHBondContact O-N 3.28Å; Q18-T22 PolarHBondContact O-OG1 2.68Å
19V98.3Very high98.3Very high80 Ų8093.4 Ų93.449%0.48545%0.447SS..Hα-helixtrans-62.6-41.8175171.90000111.2R15 K23R15-V19 WeakPolarHBondContact O-CG2 3.48Å; R15-V19 PolarHBondContact O-N 2.94Å; R15-V19 VanDerWaalsContact O-N 3.09Å; V19-K23 HydrophobicContact CG1-CD 4.25Å; V19-K23 WeakPolarHBondContact O-CG 3.3Å; V19-K23 PolarHBondContact O-N 3.05Å
20T98Very high98.3Very high38 Ų3894.2 Ų94.223%0.23344%0.442CS..Hα-helixtrans-67.5-40.6176.7-57.90000111.8I11 N16 R17 Q18 K23 R24I11-T20 HydrophobicContact CD1-CG2 3.73Å; N16-T20 WeakPolarHBondContact O-CB 3.21Å; N16-T20 PolarHBondContact O-N 3.45Å; N16-T20 PolarHBondContact O-OG1 2.69Å; R17-T20 PolarHBondContact O-N 3.18Å; Q18-T20 VanDerWaalsContact C-N 3.34Å; Q18-T20 PolarHBondContact O-N 2.86Å; T20-K23 PolarHBondContact O-N 3.22Å; T20-R24 HydrophobicContact CG2-CG 3.99Å; T20-R24 VanDerWaalsContact O-CB 3.3Å; T20-R24 WeakPolarHBondContact O-CB 3.41Å; T20-R24 WeakPolarHBondContact O-CG 3.44Å; T20-R24 PolarHBondContact O-N 3.17Å
21F98.7Very high98.4Very high48 Ų4892.3 Ų92.321%0.21144%0.439CS..Hα-helixtrans-58.2-54.8176.3176.4-101.1000110.8R17 Q18 K23 R24 K25 I47 N49 F55R17-F21 WeakPolarHBondContact O-CB 3.43Å; R17-F21 PolarHBondContact O-N 3Å; Q18-F21 PolarHBondContact O-N 3.38Å; F21-K23 VanDerWaalsContact C-N 3.33Å; F21-K23 PolarHBondContact O-N 3Å; F21-R24 PolarHBondContact O-N 3.34Å; F21-K25 HydrophobicContact CE1-CD 4.04Å; F21-K25 HydrophobicContact CZ-CD 3.96Å; F21-K25 WeakPolarHBondContact O-CB 3.25Å; F21-K25 PolarHBondContact O-N 3.21Å; F21-I47 HydrophobicContact CE2-CG2 3.87Å; F21-I47 HydrophobicContact CZ-CG2 4.1Å; F21-N49 HydrophobicContact CE1-CB 4.3Å; F21-N49 HydrophobicContact CE2-CB 4.15Å; F21-N49 HydrophobicContact CZ-CB 3.83Å; F21-F55 HydrophobicContact CE1-CD2 4.04Å; F21-F55 AromaticContact CE1-CE2 3.66Å; F21-F55 HydrophobicContact CE1-CE2 3.66Å; F21-F55 AromaticContact CE1-CZ 3.93Å; F21-F55 HydrophobicContact CE1-CZ 3.93Å; F21-F55 AromaticContact CZ-CD2 3.73Å; F21-F55 HydrophobicContact CZ-CD2 3.73Å; F21-F55 AromaticContact CZ-CE2 3.74Å; F21-F55 HydrophobicContact CZ-CE2 3.74Å; F21-F55 HydrophobicContact CZ-CG 4.45Å; F21-F55 HydrophobicContact CZ-CZ 4.44Å
22T98.1Very high98.4Very high74 Ų7490.3 Ų90.345%0.45443%0.431SS..Hα-helixtrans-54.8-47.4178.5-62.50000112.1Q18 F26Q18-T22 PolarHBondContact O-N 3.28Å; Q18-T22 PolarHBondContact O-OG1 2.68Å; T22-F26 PolarHBondContact O-N 3.28Å
23K98Very high98.4Very high157 Ų15789.7 Ų89.768%0.68342%0.421SS*.Hα-helixtrans-70.3-41-178.1-67.6-17769.9164.80113.2V19 T20 F21 G27V19-K23 HydrophobicContact CG1-CD 4.25Å; V19-K23 WeakPolarHBondContact O-CG 3.3Å; V19-K23 PolarHBondContact O-N 3.05Å; T20-K23 PolarHBondContact O-N 3.22Å; F21-K23 VanDerWaalsContact C-N 3.33Å; F21-K23 PolarHBondContact O-N 3Å; K23-G27 PolarHBondContact O-N 3.47Å
24R98.5Very high98.5Very high140 Ų14088.5 Ų88.553%0.52841%0.413SS..Hα-helixtrans-72.2-38.7177.8-73.6-169.7175.2-154.5-4.3112.2T20 F21 F26 G27 L28T20-R24 HydrophobicContact CG2-CG 3.99Å; T20-R24 VanDerWaalsContact O-CB 3.3Å; T20-R24 WeakPolarHBondContact O-CB 3.41Å; T20-R24 WeakPolarHBondContact O-CG 3.44Å; T20-R24 PolarHBondContact O-N 3.17Å; F21-R24 PolarHBondContact O-N 3.34Å; R24-F26 PolarHBondContact O-N 3.06Å; R24-G27 PolarHBondContact O-N 2.82Å; R24-L28 WeakPolarHBondContact O-CB 3.26Å; R24-L28 PolarHBondContact O-N 2.92Å
25K98.6Very high98.5Very high44 Ų4488.3 Ų88.319%0.19142%0.415CS..Hα-helixtrans-58.1-48.5174.8-170.6-17376.670.20111.1F21 L28 M29 I47 F55F21-K25 HydrophobicContact CE1-CD 4.04Å; F21-K25 HydrophobicContact CZ-CD 3.96Å; F21-K25 WeakPolarHBondContact O-CB 3.25Å; F21-K25 PolarHBondContact O-N 3.21Å; K25-L28 PolarHBondContact O-N 2.68Å; K25-M29 HydrophobicContact CD-CE 4.19Å; K25-M29 HydrophobicContact CD-SD 4.46Å; K25-M29 HydrophobicContact CG-CE 3.98Å; K25-M29 HydrophobicContact CG-SD 3.96Å; K25-M29 PolarHBondContact NZ-SD 3.08Å; K25-M29 WeakPolarHBondContact O-CB 3.15Å; K25-M29 VanDerWaalsContact O-CG 3.29Å; K25-M29 WeakPolarHBondContact O-CG 3.37Å; K25-M29 PolarHBondContact O-N 3.18Å; K25-I47 HydrophobicContact CG-CD1 3.92Å; K25-F55 HydrophobicContact CD-CB 3.8Å; K25-F55 HydrophobicContact CD-CD1 3.93Å; K25-F55 HydrophobicContact CD-CD2 4.45Å; K25-F55 HydrophobicContact CD-CG 3.81Å
26F98.4Very high98.5Very high145 Ų14579.4 Ų79.464%0.63638%0.383SS*.Hα-helixtrans-63.4-43175.9-175.5-95.5000112.2T22 R24 L28 M29 K30T22-F26 PolarHBondContact O-N 3.28Å; R24-F26 PolarHBondContact O-N 3.06Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 3.09Å; F26-M29 PolarHBondContact O-N 2.9Å; F26-K30 PolarHBondContact O-N 2.98Å
27G98.6Very high98.5Very high35 Ų3579.2 Ų79.236%0.36139%0.385SS..Hα-helixtrans-60.1-40.9175.400000113.5K23 R24 K30 K31K23-G27 PolarHBondContact O-N 3.47Å; R24-G27 PolarHBondContact O-N 2.82Å; G27-K30 PolarHBondContact O-N 2.94Å; G27-K31 WeakPolarHBondContact O-CG 3.45Å; G27-K31 PolarHBondContact O-N 2.86Å; G27-K31 VanDerWaalsContact O-N 3.09Å
28L98.7Very high98.5Very high89 Ų8983.7 Ų83.747%0.46641%0.412SS..Hα-helixtrans-67.5-45176.7-177.861.2000111.7R24 K25 F26 K30 K31 A32 L45 I47R24-L28 WeakPolarHBondContact O-CB 3.26Å; R24-L28 PolarHBondContact O-N 2.92Å; K25-L28 PolarHBondContact O-N 2.68Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 3.09Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 2.93Å; L28-K31 PolarHBondContact O-N 2.81Å; L28-K31 VanDerWaalsContact O-N 3.1Å; L28-A32 PolarHBondContact O-N 3.36Å; L28-L45 HydrophobicContact CD2-CD1 4.18Å; L28-L45 HydrophobicContact CD2-CD2 3.98Å; L28-L45 HydrophobicContact CG-CD2 3.87Å; L28-I47 HydrophobicContact CD2-CD1 4.26Å
29M98.6Very high98.5Very high26 Ų2683 Ų8313%0.12842%0.416CS..Hα-helixtrans-60.4-40174.7-71.8167.7163.800111.8K25 F26 K31 A32 Y33 L45 Q56 Y57K25-M29 HydrophobicContact CD-CE 4.19Å; K25-M29 HydrophobicContact CD-SD 4.46Å; K25-M29 HydrophobicContact CG-CE 3.98Å; K25-M29 HydrophobicContact CG-SD 3.96Å; K25-M29 PolarHBondContact NZ-SD 3.08Å; K25-M29 WeakPolarHBondContact O-CB 3.15Å; K25-M29 VanDerWaalsContact O-CG 3.29Å; K25-M29 WeakPolarHBondContact O-CG 3.37Å; K25-M29 PolarHBondContact O-N 3.18Å; F26-M29 PolarHBondContact O-N 2.9Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 2.93Å; M29-A32 PolarHBondContact O-N 2.96Å; M29-Y33 PolarHBondContact O-N 2.59Å; M29-L45 HydrophobicContact CG-CD2 4.18Å; M29-Q56 WeakPolarHBondContact CE-O 3.48Å; M29-Y57 HydrophobicContact CG-CG 4.4Å
30K98.7Very high98.6Very high113 Ų11386.9 Ų86.949%0.49143%0.434SS..Hα-helixtrans-62.6-38.4173.2-170.4175.7-169.9-77.40112.1F26 G27 L28 Y33 E34F26-K30 PolarHBondContact O-N 2.98Å; G27-K30 PolarHBondContact O-N 2.94Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 2.93Å; K30-Y33 PolarHBondContact O-N 2.77Å; K30-E34 IonicContact NZ-OE1 2.79Å; K30-E34 PolarHBondContact NZ-OE1 3.37Å; K30-E34 WeakPolarHBondContact O-CB 3.42Å; K30-E34 VanDerWaalsContact O-CG 3.24Å; K30-E34 WeakPolarHBondContact O-CG 3.43Å; K30-E34 PolarHBondContact O-N 3.09Å
31K98.8Very high98.5Very high133 Ų13387.6 Ų87.658%0.57844%0.44SS*.Hα-helixtrans-70.3-35.9176.6-69.4-142.3139.8-63.60113.5G27 L28 M29 E34 L35G27-K31 WeakPolarHBondContact O-CG 3.45Å; G27-K31 PolarHBondContact O-N 2.86Å; G27-K31 VanDerWaalsContact O-N 3.09Å; L28-K31 PolarHBondContact O-N 2.81Å; L28-K31 VanDerWaalsContact O-N 3.1Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 2.93Å; K31-E34 IonicContact NZ-OE2 3.19Å; K31-E34 PolarHBondContact NZ-OE2 3.22Å; K31-E34 PolarHBondContact O-N 2.71Å; K31-L35 WeakPolarHBondContact O-CB 3.47Å; K31-L35 PolarHBondContact O-N 3.48Å
32A98.8Very high98.5Very high12 Ų1288.4 Ų88.410%0.09945%0.445CS..Hα-helixtrans-62.8-46.8172.300000110.7L28 M29 L35 S36 I43 Y57L28-A32 PolarHBondContact O-N 3.36Å; M29-A32 PolarHBondContact O-N 2.96Å; A32-L35 PolarHBondContact O-N 3.16Å; A32-S36 PolarHBondContact O-N 3.17Å; A32-S36 PolarHBondContact O-OG 3.26Å; A32-I43 HydrophobicContact CB-CG2 4.22Å; A32-Y57 HydrophobicContact CB-CD1 3.83Å; A32-Y57 HydrophobicContact CB-CE1 3.49Å; A32-Y57 VanDerWaalsContact CB-CE1 3.49Å
33Y98.7Very high98.5Very high136 Ų13686.5 Ų86.553%0.53343%0.431SS..Hα-helixtrans-58-49173169.3-95.3000113M29 K30 L35 S36 V37 Y57M29-Y33 PolarHBondContact O-N 2.59Å; K30-Y33 PolarHBondContact O-N 2.77Å; Y33-L35 VanDerWaalsContact C-N 3.29Å; Y33-L35 PolarHBondContact O-N 3.13Å; Y33-S36 WeakPolarHBondContact CA-OG 3.29Å; Y33-S36 PolarHBondContact O-N 2.72Å; Y33-S36 PolarHBondContact O-OG 3.01Å; Y33-V37 HydrophobicContact CD2-CG2 4.18Å; Y33-V37 HydrophobicContact CE2-CG2 3.79Å; Y33-V37 WeakPolarHBondContact O-CG2 3.19Å; Y33-V37 PolarHBondContact O-N 3.48Å; Y33-V37 VanDerWaalsContact O-N 3.11Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.34Å
34E98.8Very high98.6Very high55 Ų5580.9 Ų80.926%0.25741%0.414SS..Hα-helixtrans-54-46.3175.4-76.4164.6-179.500111.1K30 K31 L38K30-E34 IonicContact NZ-OE1 2.79Å; K30-E34 PolarHBondContact NZ-OE1 3.37Å; K30-E34 WeakPolarHBondContact O-CB 3.42Å; K30-E34 VanDerWaalsContact O-CG 3.24Å; K30-E34 WeakPolarHBondContact O-CG 3.43Å; K30-E34 PolarHBondContact O-N 3.09Å; K31-E34 IonicContact NZ-OE2 3.19Å; K31-E34 PolarHBondContact NZ-OE2 3.22Å; K31-E34 PolarHBondContact O-N 2.71Å; E34-L38 VanDerWaalsContact O-CB 3.29Å; E34-L38 WeakPolarHBondContact O-CB 3.47Å; E34-L38 WeakPolarHBondContact O-CD1 3.08Å; E34-L38 WeakPolarHBondContact O-CG 3.45Å; E34-L38 PolarHBondContact O-N 3.35Å
35L98.8Very high98.6Very high93 Ų9376 Ų7649%0.48740%0.398SS..Hα-helixtrans-68.8-44.1-179.7-176.361.2000112.7K31 A32 Y33 V37 L38 C39 I43K31-L35 WeakPolarHBondContact O-CB 3.47Å; K31-L35 PolarHBondContact O-N 3.48Å; A32-L35 PolarHBondContact O-N 3.16Å; Y33-L35 VanDerWaalsContact C-N 3.29Å; Y33-L35 PolarHBondContact O-N 3.13Å; L35-V37 VanDerWaalsContact C-N 3.29Å; L35-V37 PolarHBondContact O-N 3.45Å; L35-L38 PolarHBondContact O-N 3.28Å; L35-C39 HydrophobicContact CD1-CB 4.39Å; L35-C39 PolarHBondContact O-N 2.91Å; L35-C39 VanDerWaalsContact O-N 3.08Å; L35-I43 HydrophobicContact CB-CD1 4.01Å; L35-I43 HydrophobicContact CD2-CD1 3.94Å; L35-I43 HydrophobicContact CG-CD1 3.96Å
36S98.5Very high98.6Very high12 Ų1277.9 Ų77.98%0.08441%0.409CS..Hα-helixtrans-61.3-37.2179.252.10000112.8A32 Y33 D40 C41 S59A32-S36 PolarHBondContact O-N 3.17Å; A32-S36 PolarHBondContact O-OG 3.26Å; Y33-S36 WeakPolarHBondContact CA-OG 3.29Å; Y33-S36 PolarHBondContact O-N 2.72Å; Y33-S36 PolarHBondContact O-OG 3.01Å; S36-D40 WeakPolarHBondContact O-CA 3.45Å; S36-D40 PolarHBondContact O-N 3.35Å; S36-D40 VanDerWaalsContact O-N 3.16Å; S36-C41 WeakPolarHBondContact CA-O 3.33Å; S36-C41 WeakPolarHBondContact CB-O 3.27Å; S36-C41 PolarHBondContact O-N 2.91Å; S36-C41 VanDerWaalsContact O-N 3.09Å; S36-S59 WeakPolarHBondContact OG-CB 3.4Å
37V98.6Very high98.6Very high95 Ų9572.3 Ų72.358%0.57639%0.386SS*.Hα-helixtrans-80.6-35.6-179.2175.10000112.1Y33 L35Y33-V37 HydrophobicContact CD2-CG2 4.18Å; Y33-V37 HydrophobicContact CE2-CG2 3.79Å; Y33-V37 WeakPolarHBondContact O-CG2 3.19Å; Y33-V37 PolarHBondContact O-N 3.48Å; Y33-V37 VanDerWaalsContact O-N 3.11Å; L35-V37 VanDerWaalsContact C-N 3.29Å; L35-V37 PolarHBondContact O-N 3.45Å
38L98.8Very high98.6Very high143 Ų14376.9 Ų76.975%0.74940%0.396SS*.Hα-helixtrans-78.1-22.3-178.9-71.5171000113.9E34 L35E34-L38 VanDerWaalsContact O-CB 3.29Å; E34-L38 WeakPolarHBondContact O-CB 3.47Å; E34-L38 WeakPolarHBondContact O-CD1 3.08Å; E34-L38 WeakPolarHBondContact O-CG 3.45Å; E34-L38 PolarHBondContact O-N 3.35Å; L35-L38 PolarHBondContact O-N 3.28Å
39C98.5Very high98.5Very high75 Ų7573.7 Ų73.751%0.50738%0.38SS..THydrogen-bonded Turntrans-128.212.8-173.2-58.40000113.9L35 C41L35-C39 HydrophobicContact CD1-CB 4.39Å; L35-C39 PolarHBondContact O-N 2.91Å; L35-C39 VanDerWaalsContact O-N 3.08Å; C39-C41 PolarHBondContact O-N 3.17Å; C39-C41 PolarHBondContact O-SG 3.11Å
40D98.5Very high98.4Very high161 Ų16176.2 Ų76.286%0.86140%0.4SS*.THydrogen-bonded Turntrans47.951.7-177.7-160.123.3000113.4S36S36-D40 WeakPolarHBondContact O-CA 3.45Å; S36-D40 PolarHBondContact O-N 3.35Å; S36-D40 VanDerWaalsContact O-N 3.16Å
41C97.6Very high98.4Very high54 Ų5475.3 Ų75.337%0.36540%0.404SS..  trans-112.4129.6-169.8-75.90000112.9S36 C39 I43 S59S36-C41 WeakPolarHBondContact CA-O 3.33Å; S36-C41 WeakPolarHBondContact CB-O 3.27Å; S36-C41 PolarHBondContact O-N 2.91Å; S36-C41 VanDerWaalsContact O-N 3.09Å; C39-C41 PolarHBondContact O-N 3.17Å; C39-C41 PolarHBondContact O-SG 3.11Å; C41-I43 HydrophobicContact CB-CD1 4.35Å; C41-I43 HydrophobicContact CB-CG1 4.21Å; C41-S59 PolarHBondContact O-OG 2.82Å; C41-S59 VanDerWaalsContact O-OG 3.08Å
42E98.3Very high98.3Very high65 Ų6575.6 Ų75.630%0.30441%0.412SS..  trans-75.3121.2166.3-67-171.5123.400110.1S59 T60 K64 V65 K68E42-S59 WeakPolarHBondContact CA-OG 3.27Å; E42-T60 HydrophobicContact CG-CG2 4.47Å; E42-K64 WeakPolarHBondContact OE1-CE 3.46Å; E42-K64 IonicContact OE1-NZ 2.68Å; E42-K64 PolarHBondContact OE1-NZ 3.38Å; E42-V65 HydrophobicContact CB-CG2 4.26Å; E42-K68 IonicContact OE2-NZ 2.68Å; E42-K68 PolarHBondContact OE2-NZ 3.48Å
43I98.5Very high98.3Very high34 Ų3481.2 Ų81.217%0.17443%0.434CS..  trans-132.7126.7-175.1-60.3176.2000108.5A32 L35 C41 A58 S59A32-I43 HydrophobicContact CB-CG2 4.22Å; L35-I43 HydrophobicContact CB-CD1 4.01Å; L35-I43 HydrophobicContact CD2-CD1 3.94Å; L35-I43 HydrophobicContact CG-CD1 3.96Å; C41-I43 HydrophobicContact CB-CD1 4.35Å; C41-I43 HydrophobicContact CB-CG1 4.21Å; I43-A58 CarbonylContact O-C 3.6Å; I43-A58 WeakPolarHBondContact O-CA 3.39Å; I43-S59 PolarHBondContact N-OG 2.74Å; I43-S59 PolarHBondContact O-N 3.39Å
44A98.6Very high98.3Very high39 Ų3978.8 Ų78.832%0.32243%0.43SS..EExtended strand (participates in β ladder)trans-110144.116500000110.4M62 V65A44-M62 HydrophobicContact CB-SD 3.96Å; A44-V65 HydrophobicContact CB-CB 4.11Å; A44-V65 HydrophobicContact CB-CG1 3.63Å
45L98.7Very high98.3Very high36 Ų3679.2 Ų79.219%0.18843%0.431CS..EExtended strand (participates in β ladder)trans-140.1115.8180173.762000109.7L28 M29 I47 Q56 Y57L28-L45 HydrophobicContact CD2-CD1 4.18Å; L28-L45 HydrophobicContact CD2-CD2 3.98Å; L28-L45 HydrophobicContact CG-CD2 3.87Å; M29-L45 HydrophobicContact CG-CD2 4.18Å; L45-I47 HydrophobicContact CD1-CD1 4.26Å; L45-I47 HydrophobicContact CD1-CG1 4.08Å; L45-I47 HydrophobicContact CD2-CD1 4.15Å; L45-I47 HydrophobicContact CG-CD1 4.12Å; L45-I47 HydrophobicContact CG-CG1 4.17Å; L45-Q56 CarbonylContact O-C 3.52Å; L45-Q56 VanDerWaalsContact O-CA 3.29Å; L45-Q56 WeakPolarHBondContact O-CA 3.29Å; L45-Y57 HydrophobicContact CB-CD1 4.26Å; L45-Y57 PolarHBondContact N-O 2.99Å; L45-Y57 PolarHBondContact O-N 3.26Å
46I98.7Very high98.3Very high84 Ų8479.7 Ų79.743%0.43143%0.431SS..EExtended strand (participates in β ladder)trans-112130.4179-66.2173.4000109F48 L54 L66I46-F48 HydrophobicContact CG2-CD2 4.08Å; I46-F48 HydrophobicContact CG2-CE2 3.63Å; I46-F48 HydrophobicContact CG2-CZ 4.37Å; I46-L54 HydrophobicContact CG2-CD1 3.82Å; I46-L66 HydrophobicContact CD1-CD2 4.26Å
47I98.7Very high98.3Very high29 Ų2981.2 Ų81.215%0.14944%0.435CS..EExtended strand (participates in β ladder)trans-135.7112.6-179-57.6171.8000109.3F21 K25 L28 L45 F55F21-I47 HydrophobicContact CE2-CG2 3.87Å; F21-I47 HydrophobicContact CZ-CG2 4.1Å; K25-I47 HydrophobicContact CG-CD1 3.92Å; L28-I47 HydrophobicContact CD2-CD1 4.26Å; L45-I47 HydrophobicContact CD1-CD1 4.26Å; L45-I47 HydrophobicContact CD1-CG1 4.08Å; L45-I47 HydrophobicContact CD2-CD1 4.15Å; L45-I47 HydrophobicContact CG-CD1 4.12Å; L45-I47 HydrophobicContact CG-CG1 4.17Å; I47-F55 HydrophobicContact CB-CB 4.44Å; I47-F55 PolarHBondContact N-O 3.37Å; I47-F55 PolarHBondContact O-N 3.26Å
48F98.7Very high98.3Very high131 Ų13177.8 Ų77.858%0.57542%0.416SS*.EExtended strand (participates in β ladder)trans-91.2134.9164.2-66.2-83.3000109.9I46 L54I46-F48 HydrophobicContact CG2-CD2 4.08Å; I46-F48 HydrophobicContact CG2-CE2 3.63Å; I46-F48 HydrophobicContact CG2-CZ 4.37Å; F48-L54 HydrophobicContact CD1-CB 4.26Å; F48-L54 HydrophobicContact CE1-CB 3.9Å; F48-L54 HydrophobicContact CE1-CD1 4.02Å; F48-L54 HydrophobicContact CE1-CG 4.45Å; F48-L54 HydrophobicContact CE2-CD1 4.34Å; F48-L54 HydrophobicContact CZ-CD1 3.93Å
49N97.4Very high98.3Very high22 Ų2272.8 Ų72.812%0.11839%0.394CS..  trans-87.1176.6171.787.2-23.1000111.7F21 T51 N52 K53 F55F21-N49 HydrophobicContact CE1-CB 4.3Å; F21-N49 HydrophobicContact CE2-CB 4.15Å; F21-N49 HydrophobicContact CZ-CB 3.83Å; N49-T51 PolarHBondContact ND2-OG1 2.91Å; N49-T51 PolarHBondContact O-N 3.34Å; N49-T51 VanDerWaalsContact OD1-C 3.3Å; N49-T51 WeakPolarHBondContact OD1-CA 3.36Å; N49-T51 WeakPolarHBondContact OD1-CB 3.5Å; N49-T51 PolarHBondContact OD1-N 3.36Å; N49-N52 PolarHBondContact O-N 3.08Å; N49-N52 PolarHBondContact OD1-N 2.89Å; N49-K53 PolarHBondContact N-O 3.06Å; N49-K53 VanDerWaalsContact N-O 3.09Å; N49-K53 WeakPolarHBondContact OD1-CB 3.44Å; N49-K53 PolarHBondContact OD1-N 2.98Å; N49-F55 HydrophobicContact CB-CE2 4.12Å
50S96.7Very high98.2Very high78 Ų7872.2 Ų72.255%0.54539%0.388SS..THydrogen-bonded Turntrans-68.29.4176.855.10000115.5
51T97.3Very high98.2Very high95 Ų9570 Ų7058%0.58338%0.376SS*.THydrogen-bonded Turntrans-122.818.4172.1-31.20000110.3N49 K53N49-T51 PolarHBondContact ND2-OG1 2.91Å; N49-T51 PolarHBondContact O-N 3.34Å; N49-T51 VanDerWaalsContact OD1-C 3.3Å; N49-T51 WeakPolarHBondContact OD1-CA 3.36Å; N49-T51 WeakPolarHBondContact OD1-CB 3.5Å; N49-T51 PolarHBondContact OD1-N 3.36Å; T51-K53 PolarHBondContact O-N 3.25Å
52N97.9Very high98.2Very high139 Ų13968.3 Ų68.374%0.74336%0.363SS*.  trans54.221.7-176.5-57.3-15.2000114.7N49 L54N49-N52 PolarHBondContact O-N 3.08Å; N49-N52 PolarHBondContact OD1-N 2.89Å; N52-L54 PolarHBondContact O-N 3.41Å
53K98.4Very high98.2Very high130 Ų13071.2 Ų71.257%0.56538%0.381SS*.  trans-77.8122.7173.1-62.8-169.7177.2-170.50109.5N49 T51 F55N49-K53 PolarHBondContact N-O 3.06Å; N49-K53 VanDerWaalsContact N-O 3.09Å; N49-K53 WeakPolarHBondContact OD1-CB 3.44Å; N49-K53 PolarHBondContact OD1-N 2.98Å; T51-K53 PolarHBondContact O-N 3.25Å; K53-F55 HydrophobicContact CB-CE2 3.99Å; K53-F55 HydrophobicContact CB-CZ 4.47Å; K53-F55 WeakPolarHBondContact O-CD2 3.34Å
54L98.6Very high98.2Very high85 Ų8574.7 Ų74.745%0.44539%0.394SS..EExtended strand (participates in β ladder)trans-70.9135.4174.3176.859.6000111I46 F48 N52I46-L54 HydrophobicContact CG2-CD1 3.82Å; F48-L54 HydrophobicContact CD1-CB 4.26Å; F48-L54 HydrophobicContact CE1-CB 3.9Å; F48-L54 HydrophobicContact CE1-CD1 4.02Å; F48-L54 HydrophobicContact CE1-CG 4.45Å; F48-L54 HydrophobicContact CE2-CD1 4.34Å; F48-L54 HydrophobicContact CZ-CD1 3.93Å; N52-L54 PolarHBondContact O-N 3.41Å
55F98.6Very high98.1Very high64 Ų6473.8 Ų73.828%0.28139%0.385SS..EExtended strand (participates in β ladder)trans-132.2130.9162.7-57.7-95.9000107.6F21 K25 I47 N49 K53F21-F55 HydrophobicContact CE1-CD2 4.04Å; F21-F55 AromaticContact CE1-CE2 3.66Å; F21-F55 HydrophobicContact CE1-CE2 3.66Å; F21-F55 AromaticContact CE1-CZ 3.93Å; F21-F55 HydrophobicContact CE1-CZ 3.93Å; F21-F55 AromaticContact CZ-CD2 3.73Å; F21-F55 HydrophobicContact CZ-CD2 3.73Å; F21-F55 AromaticContact CZ-CE2 3.74Å; F21-F55 HydrophobicContact CZ-CE2 3.74Å; F21-F55 HydrophobicContact CZ-CG 4.45Å; F21-F55 HydrophobicContact CZ-CZ 4.44Å; K25-F55 HydrophobicContact CD-CB 3.8Å; K25-F55 HydrophobicContact CD-CD1 3.93Å; K25-F55 HydrophobicContact CD-CD2 4.45Å; K25-F55 HydrophobicContact CD-CG 3.81Å; I47-F55 HydrophobicContact CB-CB 4.44Å; I47-F55 PolarHBondContact N-O 3.37Å; I47-F55 PolarHBondContact O-N 3.26Å; N49-F55 HydrophobicContact CB-CE2 4.12Å; K53-F55 HydrophobicContact CB-CE2 3.99Å; K53-F55 HydrophobicContact CB-CZ 4.47Å; K53-F55 WeakPolarHBondContact O-CD2 3.34Å
56Q98.5Very high98.1Very high103 Ų10375.2 Ų75.248%0.48139%0.392SS..EExtended strand (participates in β ladder)trans-129.5160.8-176.279.9-165.253.300112.5M29 L45 M62M29-Q56 WeakPolarHBondContact CE-O 3.48Å; L45-Q56 CarbonylContact O-C 3.52Å; L45-Q56 VanDerWaalsContact O-CA 3.29Å; L45-Q56 WeakPolarHBondContact O-CA 3.29Å; Q56-M62 HydrophobicContact CB-CE 3.69Å; Q56-M62 HydrophobicContact CG-CE 3.84Å
57Y98.8Very high98.1Very high44 Ų4476.1 Ų76.117%0.17340%0.397CS..EExtended strand (participates in β ladder)trans-148.4141.4169.2163.4-91.5000108.5M29 A32 Y33 L45 S59 M62M29-Y57 HydrophobicContact CG-CG 4.4Å; A32-Y57 HydrophobicContact CB-CD1 3.83Å; A32-Y57 HydrophobicContact CB-CE1 3.49Å; A32-Y57 VanDerWaalsContact CB-CE1 3.49Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.34Å; L45-Y57 HydrophobicContact CB-CD1 4.26Å; L45-Y57 PolarHBondContact N-O 2.99Å; L45-Y57 PolarHBondContact O-N 3.26Å; Y57-S59 WeakPolarHBondContact OH-CA 3.42Å; Y57-M62 VanDerWaalsContact O-CE 3.25Å; Y57-M62 WeakPolarHBondContact O-CE 3.38Å
58A98.7Very high98Very high22 Ų2278.6 Ų78.618%0.18241%0.407CS..EExtended strand (participates in β ladder)trans-133.3153.9162.800000109.4I43 T60 M62I43-A58 CarbonylContact O-C 3.6Å; I43-A58 WeakPolarHBondContact O-CA 3.39Å; A58-T60 WeakPolarHBondContact CB-O 3.42Å; A58-M62 HydrophobicContact CB-CB 4.42Å; A58-M62 HydrophobicContact CB-CE 3.92Å
59S98.3Very high97.9Very high39 Ų3980.1 Ų80.127%0.27341%0.41SS..SBendtrans-78-24.2171.256.50000112.8S36 C41 E42 I43 Y57S36-S59 WeakPolarHBondContact OG-CB 3.4Å; C41-S59 PolarHBondContact O-OG 2.82Å; C41-S59 VanDerWaalsContact O-OG 3.08Å; E42-S59 WeakPolarHBondContact CA-OG 3.27Å; I43-S59 PolarHBondContact N-OG 2.74Å; I43-S59 PolarHBondContact O-N 3.39Å; Y57-S59 WeakPolarHBondContact OH-CA 3.42Å
60T97.1Very high97.9Very high62 Ų6284 Ų8438%0.3844%0.435SS..SBendtrans-124.9-149169.855.90000108.8E42 A58 V65E42-T60 HydrophobicContact CG-CG2 4.47Å; A58-T60 WeakPolarHBondContact CB-O 3.42Å; T60-V65 WeakPolarHBondContact OG1-CG2 3.36Å
61D97.7Very high97.9Very high115 Ų11586.4 Ų86.462%0.61544%0.437SS*.  trans-73.9132.4175.9-53.7-76000111.9D63 K64 V65D61-D63 PolarHBondContact O-N 3.17Å; D61-K64 HydrophobicContact CB-CB 4Å; D61-K64 WeakPolarHBondContact O-CB 3.24Å; D61-K64 PolarHBondContact O-N 2.97Å; D61-V65 PolarHBondContact O-N 2.91Å
62M98.4Very high97.7Very high18 Ų1889.2 Ų89.29%0.08944%0.438CS..Hα-helixtrans-56.2-49.2-179.3-179.362.662.100111.8A44 Q56 Y57 A58 K64 V65 L66A44-M62 HydrophobicContact CB-SD 3.96Å; Q56-M62 HydrophobicContact CB-CE 3.69Å; Q56-M62 HydrophobicContact CG-CE 3.84Å; Y57-M62 VanDerWaalsContact O-CE 3.25Å; Y57-M62 WeakPolarHBondContact O-CE 3.38Å; A58-M62 HydrophobicContact CB-CB 4.42Å; A58-M62 HydrophobicContact CB-CE 3.92Å; M62-K64 VanDerWaalsContact C-N 3.27Å; M62-K64 PolarHBondContact O-N 2.84Å; M62-V65 PolarHBondContact O-N 3.27Å; M62-V65 VanDerWaalsContact O-N 3.17Å; M62-L66 HydrophobicContact CG-CD1 3.81Å; M62-L66 HydrophobicContact CG-CG 4.3Å; M62-L66 WeakPolarHBondContact O-CG 3.25Å; M62-L66 PolarHBondContact O-N 3.03Å; M62-L66 HydrophobicContact SD-CD1 3.96Å; M62-L66 HydrophobicContact SD-CG 4.07Å
63D98Very high97.3Very high127 Ų12790.9 Ų90.968%0.67945%0.447SS*.Hα-helixtrans-67.7-30.6-173.8-50.9-39.9000111.5D61 L67D61-D63 PolarHBondContact O-N 3.17Å; D63-L67 WeakPolarHBondContact O-CB 3.14Å; D63-L67 PolarHBondContact O-N 3.5Å
64K98Very high97Very high107 Ų10792.3 Ų92.347%0.46546%0.456SS..Hα-helixtrans-64.8-46.3172.7-172.8-159.3178.4-157.90111.4E42 D61 M62 K68E42-K64 WeakPolarHBondContact OE1-CE 3.46Å; E42-K64 IonicContact OE1-NZ 2.68Å; E42-K64 PolarHBondContact OE1-NZ 3.38Å; D61-K64 HydrophobicContact CB-CB 4Å; D61-K64 WeakPolarHBondContact O-CB 3.24Å; D61-K64 PolarHBondContact O-N 2.97Å; M62-K64 VanDerWaalsContact C-N 3.27Å; M62-K64 PolarHBondContact O-N 2.84Å; K64-K68 VanDerWaalsContact O-CB 3.3Å; K64-K68 WeakPolarHBondContact O-CB 3.3Å; K64-K68 PolarHBondContact O-N 2.9Å
65V98.2Very high96.9Very high19 Ų1991.7 Ų91.712%0.11546%0.457CS..Hα-helixtrans-70.5-33.9179.9-176.40000111.3E42 A44 T60 D61 M62 Y69E42-V65 HydrophobicContact CB-CG2 4.26Å; A44-V65 HydrophobicContact CB-CB 4.11Å; A44-V65 HydrophobicContact CB-CG1 3.63Å; T60-V65 WeakPolarHBondContact OG1-CG2 3.36Å; D61-V65 PolarHBondContact O-N 2.91Å; M62-V65 PolarHBondContact O-N 3.27Å; M62-V65 VanDerWaalsContact O-N 3.17Å; V65-Y69 WeakPolarHBondContact O-CB 3.33Å; V65-Y69 PolarHBondContact O-N 3.43Å
66L97.9Very high96.7Very high66 Ų6697.9 Ų97.935%0.34649%0.486SS..Hα-helixtrans-72.9-39.8175.2-67.5178.4000112.9I46 M62 Y69 T70I46-L66 HydrophobicContact CD1-CD2 4.26Å; M62-L66 HydrophobicContact CG-CD1 3.81Å; M62-L66 HydrophobicContact CG-CG 4.3Å; M62-L66 WeakPolarHBondContact O-CG 3.25Å; M62-L66 PolarHBondContact O-N 3.03Å; M62-L66 HydrophobicContact SD-CD1 3.96Å; M62-L66 HydrophobicContact SD-CG 4.07Å; L66-Y69 WeakPolarHBondContact O-CB 3.4Å; L66-Y69 PolarHBondContact O-N 3.46Å; L66-T70 PolarHBondContact O-N 3.07Å; L66-T70 PolarHBondContact O-OG1 3.22Å
67L97.4Very high96.6Very high104 Ų10498.9 Ų98.955%0.54549%0.491SS..Hα-helixtrans-60.7-49172.6178.562.5000110.6D63 Y69 T70 E71D63-L67 WeakPolarHBondContact O-CB 3.14Å; D63-L67 PolarHBondContact O-N 3.5Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 3.25Å; L67-T70 PolarHBondContact O-N 3.37Å; L67-T70 PolarHBondContact O-OG1 2.75Å; L67-E71 PolarHBondContact O-N 3.44Å
68K97.2Very high96.5Very high80 Ų80100.8 Ų100.835%0.34851%0.511SS..Hα-helixtrans-56.6-41.4173.1-179.4170.6172.4174.90112E42 K64 T70 E71 Y72E42-K68 IonicContact OE2-NZ 2.68Å; E42-K68 PolarHBondContact OE2-NZ 3.48Å; K64-K68 VanDerWaalsContact O-CB 3.3Å; K64-K68 WeakPolarHBondContact O-CB 3.3Å; K64-K68 PolarHBondContact O-N 2.9Å; K68-T70 VanDerWaalsContact C-N 3.31Å; K68-T70 PolarHBondContact O-N 2.69Å; K68-E71 WeakPolarHBondContact O-CB 3.41Å; K68-E71 PolarHBondContact O-N 3.33Å; K68-E71 VanDerWaalsContact O-N 3.1Å; K68-Y72 HydrophobicContact CG-CD2 4.41Å; K68-Y72 HydrophobicContact CG-CE2 3.94Å; K68-Y72 VanDerWaalsContact O-CD2 3.26Å; K68-Y72 WeakPolarHBondContact O-CD2 3.37Å
69Y97.4Very high96.4Very high163 Ų163106.7 Ų106.764%0.63953%0.528SS*.Hα-helixtrans-60.2-37.8174.4174.3-104.9000112.6V65 L66 L67 E71 Y72V65-Y69 WeakPolarHBondContact O-CB 3.33Å; V65-Y69 PolarHBondContact O-N 3.43Å; L66-Y69 WeakPolarHBondContact O-CB 3.4Å; L66-Y69 PolarHBondContact O-N 3.46Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 3.25Å; Y69-E71 VanDerWaalsContact C-N 3.28Å; Y69-E71 PolarHBondContact O-N 2.81Å; Y69-Y72 PolarHBondContact O-N 2.84Å
70T96.4Very high96.4Very high104 Ų104108.3 Ų108.364%0.63854%0.537SS*.Hα-helixtrans-73.3-12.6174.851.70000114.9L66 L67 K68L66-T70 PolarHBondContact O-N 3.07Å; L66-T70 PolarHBondContact O-OG1 3.22Å; L67-T70 PolarHBondContact O-N 3.37Å; L67-T70 PolarHBondContact O-OG1 2.75Å; K68-T70 VanDerWaalsContact C-N 3.31Å; K68-T70 PolarHBondContact O-N 2.69Å
71E96.7Very high96.4Very high129 Ų129111.8 Ų111.860%0.60355%0.553SS**Hα-helixtrans-81.6-18.3172.8-65.7164.917900112.6L67 K68 Y69L67-E71 PolarHBondContact O-N 3.44Å; K68-E71 WeakPolarHBondContact O-CB 3.41Å; K68-E71 PolarHBondContact O-N 3.33Å; K68-E71 VanDerWaalsContact O-N 3.1Å; Y69-E71 VanDerWaalsContact C-N 3.28Å; Y69-E71 PolarHBondContact O-N 2.81Å
72Y93.4Very high96.4Very high154 Ų154110.5 Ų110.560%0.60455%0.553SS**  trans-99113.3177.3-72.7-85.3000111.8K68 Y69 E74K68-Y72 HydrophobicContact CG-CD2 4.41Å; K68-Y72 HydrophobicContact CG-CE2 3.94Å; K68-Y72 VanDerWaalsContact O-CD2 3.26Å; K68-Y72 WeakPolarHBondContact O-CD2 3.37Å; Y69-Y72 PolarHBondContact O-N 2.84Å; Y72-E74 VanDerWaalsContact C-N 3.3Å; Y72-E74 PolarHBondContact O-N 3.1Å
73N89.7Confident96.4Very high173 Ų173112.2 Ų112.293%0.92556%0.563SS**SBendtrans-65.8-28.3177.4-62.6-68.9000113.9
74E92.5Very high96.3Very high161 Ų161110.1 Ų110.175%0.75255%0.55SS**SBendtrans-144134-177.9-169.2174-177.100111.3Y72Y72-E74 VanDerWaalsContact C-N 3.3Å; Y72-E74 PolarHBondContact O-N 3.1Å
75P95.2Very high96.2Very high71 Ų71109 Ų10946%0.46155%0.552SS.*  trans-82.6133.7177.232.4-34.5000112.2E77P75-E77 PolarHBondContact O-N 3.09Å
76H94.7Very high96.1Very high195 Ų195113.5 Ų113.590%0.90357%0.572SS**SBendtrans-54.7-34.9177176.8-77.9000113.9
77E96.9Very high96Very high123 Ų123112.9 Ų112.958%0.57557%0.571SS**SBendtrans-139.6129.5168.3-175.6174.2177.400109.5P75 R79P75-E77 PolarHBondContact O-N 3.09Å; E77-R79 HydrophobicContact CG-CG 4.3Å; E77-R79 IonicContact OE1-CZ 3.14Å; E77-R79 IonicContact OE1-NE 2.71Å; E77-R79 PolarHBondContact OE1-NE 2.81Å; E77-R79 IonicContact OE1-NH2 2.72Å; E77-R79 PolarHBondContact OE1-NH2 2.79Å
78S96.2Very high95.8Very high84 Ų84113.6 Ų113.659%0.58758%0.575SS**  trans-119.2140.6172.9-172.20000110
79R97.3Very high95.6Very high147 Ų147117.9 Ų117.956%0.55559%0.589SS**  trans-142.7131.7-179.5-64.8-64.4-179.1-159-7.1111.2E77E77-R79 HydrophobicContact CG-CG 4.3Å; E77-R79 IonicContact OE1-CZ 3.14Å; E77-R79 IonicContact OE1-NE 2.71Å; E77-R79 PolarHBondContact OE1-NE 2.81Å; E77-R79 IonicContact OE1-NH2 2.72Å; E77-R79 PolarHBondContact OE1-NH2 2.79Å
80T98.2Very high95.4Very high73 Ų73118.6 Ų118.645%0.44860%0.595SS.*  trans-106.5177.2171.2790000111S82 D83 I84T80-S82 PolarHBondContact O-N 3.41Å; T80-S82 WeakPolarHBondContact OG1-CB 3.29Å; T80-S82 PolarHBondContact OG1-N 3.18Å; T80-S82 VanDerWaalsContact OG1-N 3.13Å; T80-D83 WeakPolarHBondContact CA-OD2 3.19Å; T80-D83 VanDerWaalsContact CB-OD2 3.27Å; T80-D83 WeakPolarHBondContact CB-OD2 3.31Å; T80-D83 PolarHBondContact N-OD2 2.97Å; T80-D83 PolarHBondContact O-N 2.74Å; T80-D83 PolarHBondContact OG1-OD2 3.25Å; T80-I84 WeakPolarHBondContact O-CG1 3.17Å; T80-I84 PolarHBondContact O-N 2.84Å
81N97.5Very high94.8Very high135 Ų135121.4 Ų121.472%0.72260%0.599SS**Hα-helixtrans-58.4-30.9171.7-69.8-34.8000112.6V85N81-V85 WeakPolarHBondContact O-CB 3.23Å; N81-V85 VanDerWaalsContact O-CG2 3.27Å; N81-V85 WeakPolarHBondContact O-CG2 3.39Å; N81-V85 PolarHBondContact O-N 2.92Å
82S97.7Very high93.1Very high88 Ų88116.6 Ų116.662%0.61558%0.583SS**Hα-helixtrans-67.1-48.3179.9-58.30000111.3T80 I84 V85 E86T80-S82 PolarHBondContact O-N 3.41Å; T80-S82 WeakPolarHBondContact OG1-CB 3.29Å; T80-S82 PolarHBondContact OG1-N 3.18Å; T80-S82 VanDerWaalsContact OG1-N 3.13Å; S82-I84 VanDerWaalsContact C-N 3.29Å; S82-I84 PolarHBondContact O-N 2.82Å; S82-V85 PolarHBondContact O-N 3.48Å; S82-E86 PolarHBondContact O-N 3.37Å
83D97.3Very high91.3Very high54 Ų54117 Ų11729%0.28960%0.595SS.*Hα-helixtrans-61.3-39178.8-48.9-91.1000111.7T80 T87T80-D83 WeakPolarHBondContact CA-OD2 3.19Å; T80-D83 VanDerWaalsContact CB-OD2 3.27Å; T80-D83 WeakPolarHBondContact CB-OD2 3.31Å; T80-D83 PolarHBondContact N-OD2 2.97Å; T80-D83 PolarHBondContact O-N 2.74Å; T80-D83 PolarHBondContact OG1-OD2 3.25Å; D83-T87 VanDerWaalsContact O-CB 3.25Å; D83-T87 WeakPolarHBondContact O-CB 3.32Å; D83-T87 PolarHBondContact O-N 3.08Å; D83-T87 PolarHBondContact O-OG1 2.61Å
84I96.6Very high89.1Confident83 Ų83116.7 Ų116.743%0.42659%0.593SS.*Hα-helixtrans-68-43.7177.1-64.5166.6000110.3T80 S82 T87 L88T80-I84 WeakPolarHBondContact O-CG1 3.17Å; T80-I84 PolarHBondContact O-N 2.84Å; S82-I84 VanDerWaalsContact C-N 3.29Å; S82-I84 PolarHBondContact O-N 2.82Å; I84-T87 PolarHBondContact O-N 3.09Å; I84-L88 HydrophobicContact CG2-CD1 4Å; I84-L88 WeakPolarHBondContact O-CB 3.13Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.18Å; I84-L88 PolarHBondContact O-N 3.35Å
85V95.5Very high86.9Confident82 Ų82112.3 Ų112.350%0.49759%0.592SS.*Hα-helixtrans-67.4-36.6176.8167.60000111.7N81 S82 R89N81-V85 WeakPolarHBondContact O-CB 3.23Å; N81-V85 VanDerWaalsContact O-CG2 3.27Å; N81-V85 WeakPolarHBondContact O-CG2 3.39Å; N81-V85 PolarHBondContact O-N 2.92Å; S82-V85 PolarHBondContact O-N 3.48Å; V85-R89 VanDerWaalsContact O-CG 3.32Å; V85-R89 WeakPolarHBondContact O-CG 3.43Å; V85-R89 PolarHBondContact O-N 3.2Å; V85-R89 VanDerWaalsContact O-N 3.08Å; V85-R89 PolarHBondContact O-NE 3.5Å
86E96Very high84.3Confident115 Ų115114.4 Ų114.454%0.53761%0.607SS.*Hα-helixtrans-66.6-47171.8-170.6172.1139.800112.1S82 L88 R89 K90S82-E86 PolarHBondContact O-N 3.37Å; E86-L88 PolarHBondContact O-N 2.82Å; E86-R89 CarbonylContact O-C 3.54Å; E86-R89 WeakPolarHBondContact O-CA 3.48Å; E86-R89 WeakPolarHBondContact O-CB 3.5Å; E86-R89 PolarHBondContact O-N 3.05Å; E86-R89 IonicContact OE2-NH2 2.95Å; E86-K90 PolarHBondContact O-N 3.42Å
87T95.3Very high81.9Confident53 Ų53112 Ų11233%0.32560%0.601SS.*Hα-helixtrans-58-37.4175.8-60.50000111.5D83 I84 K91D83-T87 VanDerWaalsContact O-CB 3.25Å; D83-T87 WeakPolarHBondContact O-CB 3.32Å; D83-T87 PolarHBondContact O-N 3.08Å; D83-T87 PolarHBondContact O-OG1 2.61Å; I84-T87 PolarHBondContact O-N 3.09Å; T87-K91 HydrophobicContact CG2-CD 3.89Å; T87-K91 HydrophobicContact CG2-CG 4.37Å; T87-K91 WeakPolarHBondContact O-CB 3.34Å; T87-K91 VanDerWaalsContact O-CG 3.31Å; T87-K91 WeakPolarHBondContact O-CG 3.4Å; T87-K91 PolarHBondContact O-N 3.31Å
88L93.9Very high79.7Confident119 Ų119111.5 Ų111.562%0.62361%0.61SS**Hα-helixtrans-74.3-22.3175.5-71.7170.1000114.1I84 E86 G92I84-L88 HydrophobicContact CG2-CD1 4Å; I84-L88 WeakPolarHBondContact O-CB 3.13Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.18Å; I84-L88 PolarHBondContact O-N 3.35Å; E86-L88 PolarHBondContact O-N 2.82Å; L88-G92 PolarHBondContact O-N 2.84Å
89R93.1Very high77.3Confident169 Ų169113.3 Ų113.364%0.63862%0.62SS**Hα-helixtrans-80.5-43.8170.8-72.8177.8-63.7154.95.8111.5V85 E86 G92V85-R89 VanDerWaalsContact O-CG 3.32Å; V85-R89 WeakPolarHBondContact O-CG 3.43Å; V85-R89 PolarHBondContact O-N 3.2Å; V85-R89 VanDerWaalsContact O-N 3.08Å; V85-R89 PolarHBondContact O-NE 3.5Å; E86-R89 CarbonylContact O-C 3.54Å; E86-R89 WeakPolarHBondContact O-CA 3.48Å; E86-R89 WeakPolarHBondContact O-CB 3.5Å; E86-R89 PolarHBondContact O-N 3.05Å; E86-R89 IonicContact OE2-NH2 2.95Å; R89-G92 WeakPolarHBondContact O-CA 3.38Å; R89-G92 PolarHBondContact O-N 3.29Å
90K93.4Very high74.8Confident179 Ų179112.5 Ų112.578%0.77863%0.627SS**Hα-helixtrans-71-32.5177.3-174170.1-177.5171.50112.8E86 G92E86-K90 PolarHBondContact O-N 3.42Å; K90-G92 PolarHBondContact O-N 3.44Å
91K84.4Confident72.7Confident163 Ų163114.7 Ų114.771%0.70964%0.643SS**THydrogen-bonded Turntrans-89.930.5163-57.2179.2-177.6178.40111.4T87T87-K91 HydrophobicContact CG2-CD 3.89Å; T87-K91 HydrophobicContact CG2-CG 4.37Å; T87-K91 WeakPolarHBondContact O-CB 3.34Å; T87-K91 VanDerWaalsContact O-CG 3.31Å; T87-K91 WeakPolarHBondContact O-CG 3.4Å; T87-K91 PolarHBondContact O-N 3.31Å
92G59.8Low70.1Confident27 Ų27116 Ų11628%0.27865%0.649SS.*  trans-51.5152.5165.700000109.5L88 R89 K90 N94L88-G92 PolarHBondContact O-N 2.84Å; R89-G92 WeakPolarHBondContact O-CA 3.38Å; R89-G92 PolarHBondContact O-N 3.29Å; K90-G92 PolarHBondContact O-N 3.44Å; G92-N94 PolarHBondContact O-N 2.93Å; G92-N94 PolarHBondContact O-OD1 2.79Å
93L55.4Low68Low163 Ų163116 Ų11685%0.85366%0.655SS**  trans-64.693-168.5-80.263.3000110.9G95L93-G95 PolarHBondContact O-N 3.31Å
94N45.2Very low65.5Low166 Ų166121.6 Ų121.689%0.88869%0.685SS**  trans-69.173.9169.2-71.510000108.8G92G92-N94 PolarHBondContact O-N 2.93Å; G92-N94 PolarHBondContact O-OD1 2.79Å
95G44.5Very low63.1Low70 Ų70124.2 Ų124.272%0.72270%0.7SS**  trans-15924.6-166.300000113.7L93L93-G95 PolarHBondContact O-N 3.31Å
96C42.2Very low60.7Low115 Ų115125 Ų12578%0.77771%0.709SS**SBendtrans-166.6132156.2-157.70000107.8
97D42.8Very low58.2Low145 Ų145126.3 Ų126.378%0.77572%0.724SS**  trans48.8103.9174.8-79.624.7000120.6
98S50.7Low55.5Low111 Ų111127.4 Ų127.478%0.77675%0.746SS**  48.4157.398.4-71.20000121.8
99P47.4Very low52.8Low122 Ų122129.6 Ų129.679%0.79275%0.752SS**  -102.7172.5-129.939.2-39.7000118
100D44.5Very low50.2Low131 Ų131126.1 Ų126.170%0.70175%0.754SS**  trans-53.1139.5174.7-170.94.1000116.3D102D100-D102 PolarHBondContact OD1-N 2.92Å; D100-D102 VanDerWaalsContact OD1-N 3.1Å
101P53.1Low48.1Very low119 Ų119121.6 Ų121.677%0.77374%0.743SS**  trans-128.654.7164.841.8-27.8000115.1A103P101-A103 PolarHBondContact O-N 2.71Å
102D43.7Very low46.2Very low161 Ų161121.8 Ų121.886%0.86175%0.747SS**  trans-73.763.3163.1-103.6-20.5000112.1D100D100-D102 PolarHBondContact OD1-N 2.92Å; D100-D102 VanDerWaalsContact OD1-N 3.1Å
103A54.1Low46.1Very low88 Ų88124 Ų12473%0.72776%0.758SS**  trans-15786.6178.300000116.2P101P101-A103 PolarHBondContact O-N 2.71Å
104D44.4Very low46.1Very low172 Ų172121.2 Ų121.292%0.9274%0.74SS**  trans64168.2154.5-132.9-23.8000120.6
105D45.4Very low46.9Very low139 Ų139116.7 Ų116.774%0.74372%0.716SS**  trans58.696171.7-123.8-31.4000120.4
106S46Very low47.8Very low98 Ų98120.2 Ų120.269%0.68571%0.711SS**  36.5130.7125-141.30000122.2
107V43.6Very low49Very low143 Ų143123 Ų12387%0.86771%0.707SS**  trans67.2101.4162.2-1720000116.9
108G38.7Very low50.4Low75 Ų75121.3 Ų121.377%0.77369%0.69SS**  trans-163.135.5177.500000117S110G108-S110 PolarHBondContact O-N 2.84Å
109H37.3Very low51.7Low165 Ų165123 Ų12376%0.76468%0.683SS**  trans-60.2138.4174.7-76.4-84.2000111.8P111H109-P111 HydrophobicContact CB-CB 4.4Å; H109-P111 WeakPolarHBondContact O-CD 3.23Å
110S37.4Very low53.1Low96 Ų96121.2 Ų121.267%0.67167%0.666SS**  trans-100.892.5158.4-173.80000108.3G108 E112G108-S110 PolarHBondContact O-N 2.84Å; S110-E112 VanDerWaalsContact C-N 3.34Å; S110-E112 PolarHBondContact O-N 3.17Å; S110-E112 VanDerWaalsContact O-N 3.14Å
111P49.7Very low54.8Low85 Ų85119.4 Ų119.455%0.55266%0.656SS**THydrogen-bonded Turntrans-95.846.5-156.938.7-34.1000112.7H109H109-P111 HydrophobicContact CB-CB 4.4Å; H109-P111 WeakPolarHBondContact O-CD 3.23Å
112E45.4Very low56.2Low167 Ų167119.1 Ų119.178%0.7865%0.645SS**THydrogen-bonded Turntrans-125.2-21.7-178.4-68.6-160.5111.100114.5S110S110-E112 VanDerWaalsContact C-N 3.34Å; S110-E112 PolarHBondContact O-N 3.17Å; S110-E112 VanDerWaalsContact O-N 3.14Å
113S57.1Low58.1Low73 Ų73116 Ų11651%0.5163%0.628SS.*SBendtrans-91.5-46.3-179.258.50000112.3K116 Y117S113-K116 WeakPolarHBondContact O-CB 3.42Å; S113-K116 PolarHBondContact O-N 3.19Å; S113-Y117 WeakPolarHBondContact O-CD2 3.5Å; S113-Y117 PolarHBondContact O-N 3.47Å
114E55.1Low59.5Low105 Ų105115.6 Ų115.649%0.49161%0.613SS.*Hα-helixtrans-70.5-43.1-174.8-153.1-178.5104.600111.9K116 Y117 R118E114-K116 PolarHBondContact O-N 3.39Å; E114-Y117 PolarHBondContact O-N 2.93Å; E114-R118 PolarHBondContact O-N 3.1Å; E114-R118 IonicContact OE1-CZ 3.49Å; E114-R118 VanDerWaalsContact OE1-CZ 3.24Å; E114-R118 IonicContact OE1-NH1 2.75Å; E114-R118 PolarHBondContact OE1-NH1 3.2Å; E114-R118 IonicContact OE1-NH2 2.79Å; E114-R118 PolarHBondContact OE1-NH2 3.2Å
115D62.1Low61.3Low70 Ų70111.3 Ų111.337%0.37459%0.59SS.*Hα-helixtrans-68.7-22.9177-62.9-63.3000113R118 K119D115-R118 IonicContact OD1-CZ 2.81Å; D115-R118 IonicContact OD1-NE 3.24Å; D115-R118 PolarHBondContact OD1-NE 2.7Å; D115-R118 IonicContact OD1-NH2 2.61Å; D115-R118 PolarHBondContact OD1-NH2 2.76Å; D115-R118 IonicContact OD2-NH2 2.67Å; D115-R118 PolarHBondContact OD2-NH2 2.76Å; D115-K119 WeakPolarHBondContact O-CB 3.33Å; D115-K119 PolarHBondContact O-N 2.97Å
116K62.7Low63.1Low144 Ų144109 Ų10963%0.62658%0.577SS**Hα-helixtrans-67.8-37.6169.2-170.2175.6-178177.40111.6S113 E114 I120S113-K116 WeakPolarHBondContact O-CB 3.42Å; S113-K116 PolarHBondContact O-N 3.19Å; E114-K116 PolarHBondContact O-N 3.39Å; K116-I120 HydrophobicContact CG-CD1 4.19Å; K116-I120 WeakPolarHBondContact O-CB 3.43Å; K116-I120 WeakPolarHBondContact O-CD1 3.41Å; K116-I120 WeakPolarHBondContact O-CG1 3.19Å; K116-I120 PolarHBondContact O-N 2.83Å; K116-I120 VanDerWaalsContact O-N 3.12Å
117Y68.2Low64.7Low175 Ų175108.9 Ų108.969%0.68657%0.567SS**Hα-helixtrans-75.9-41.2174.6-70.7-69.3000112.5S113 E114 K119 I120 N121S113-Y117 WeakPolarHBondContact O-CD2 3.5Å; S113-Y117 PolarHBondContact O-N 3.47Å; E114-Y117 PolarHBondContact O-N 2.93Å; Y117-K119 PolarHBondContact O-N 3.31Å; Y117-I120 PolarHBondContact O-N 2.67Å; Y117-N121 PolarHBondContact O-N 3.49Å
118R72.7Confident66.5Low108 Ų108105.9 Ų105.941%0.40855%0.545SS..Hα-helixtrans-53.9-52.2170.3-86.3-171.8-84.4-84.3-1.4111.1E114 D115 I120 N121 E122E114-R118 PolarHBondContact O-N 3.1Å; E114-R118 IonicContact OE1-CZ 3.49Å; E114-R118 VanDerWaalsContact OE1-CZ 3.24Å; E114-R118 IonicContact OE1-NH1 2.75Å; E114-R118 PolarHBondContact OE1-NH1 3.2Å; E114-R118 IonicContact OE1-NH2 2.79Å; E114-R118 PolarHBondContact OE1-NH2 3.2Å; D115-R118 IonicContact OD1-CZ 2.81Å; D115-R118 IonicContact OD1-NE 3.24Å; D115-R118 PolarHBondContact OD1-NE 2.7Å; D115-R118 IonicContact OD1-NH2 2.61Å; D115-R118 PolarHBondContact OD1-NH2 2.76Å; D115-R118 IonicContact OD2-NH2 2.67Å; D115-R118 PolarHBondContact OD2-NH2 2.76Å; R118-I120 PolarHBondContact O-N 2.95Å; R118-N121 WeakPolarHBondContact O-CB 3.42Å; R118-N121 PolarHBondContact O-N 2.79Å; R118-E122 WeakPolarHBondContact O-CG 3.48Å; R118-E122 PolarHBondContact O-N 3.06Å
119K76.3Confident68.3Low147 Ų147105.3 Ų105.364%0.63953%0.529SS*.Hα-helixtrans-67.8-31.7-176.4-165.1160.7-170.8165.80113.7D115 Y117 D123D115-K119 WeakPolarHBondContact O-CB 3.33Å; D115-K119 PolarHBondContact O-N 2.97Å; Y117-K119 PolarHBondContact O-N 3.31Å; K119-D123 WeakPolarHBondContact O-CB 3.26Å; K119-D123 PolarHBondContact O-N 3.47Å
120I78.4Confident70Confident85 Ų85105.6 Ų105.644%0.43652%0.524SS..Hα-helixtrans-67-40.5170.3-73.1166.7000110.8K116 Y117 R118 D123 I124K116-I120 HydrophobicContact CG-CD1 4.19Å; K116-I120 WeakPolarHBondContact O-CB 3.43Å; K116-I120 WeakPolarHBondContact O-CD1 3.41Å; K116-I120 WeakPolarHBondContact O-CG1 3.19Å; K116-I120 PolarHBondContact O-N 2.83Å; K116-I120 VanDerWaalsContact O-N 3.12Å; Y117-I120 PolarHBondContact O-N 2.67Å; R118-I120 PolarHBondContact O-N 2.95Å; I120-D123 PolarHBondContact O-N 3.49Å; I120-I124 HydrophobicContact CG2-CD1 3.88Å; I120-I124 WeakPolarHBondContact O-CB 3.29Å; I120-I124 WeakPolarHBondContact O-CD1 3.42Å; I120-I124 VanDerWaalsContact O-CG1 3.26Å; I120-I124 WeakPolarHBondContact O-CG1 3.24Å; I120-I124 PolarHBondContact O-N 2.79Å
121N79.7Confident71.1Confident92 Ų92107.8 Ų107.849%0.49252%0.523SS..Hα-helixtrans-65-45.7175.9-16798.1000111.4Y117 R118 D123 I124 D125Y117-N121 PolarHBondContact O-N 3.49Å; R118-N121 WeakPolarHBondContact O-CB 3.42Å; R118-N121 PolarHBondContact O-N 2.79Å; N121-D123 VanDerWaalsContact C-N 3.35Å; N121-D123 PolarHBondContact O-N 3.39Å; N121-I124 PolarHBondContact O-N 3.03Å; N121-D125 PolarHBondContact ND2-OD2 3.04Å; N121-D125 PolarHBondContact O-N 3.38Å
122E81.8Confident71.6Confident114 Ų114114 Ų11453%0.53354%0.536SS..Hα-helixtrans-57.5-43.1175.1-72.4167.3-164.200112.5R118 D125 L126R118-E122 WeakPolarHBondContact O-CG 3.48Å; R118-E122 PolarHBondContact O-N 3.06Å; E122-D125 PolarHBondContact O-N 3.43Å; E122-L126 WeakPolarHBondContact O-CB 3.3Å; E122-L126 PolarHBondContact O-N 3.48Å
123D83.4Confident72Confident96 Ų96113 Ų11351%0.51354%0.535SS..Hα-helixtrans-71.6-30.8-179.9-154.530.3000112K119 I120 N121 M127K119-D123 WeakPolarHBondContact O-CB 3.26Å; K119-D123 PolarHBondContact O-N 3.47Å; I120-D123 PolarHBondContact O-N 3.49Å; N121-D123 VanDerWaalsContact C-N 3.35Å; N121-D123 PolarHBondContact O-N 3.39Å; D123-M127 WeakPolarHBondContact O-CB 3.16Å; D123-M127 PolarHBondContact O-N 3.43Å
124I84Confident71.3Confident79 Ų79114.2 Ų114.241%0.40554%0.542SS..Hα-helixtrans-67.7-49.6170.1-71.3167.1000111I120 N121 L126 M127 I128I120-I124 HydrophobicContact CG2-CD1 3.88Å; I120-I124 WeakPolarHBondContact O-CB 3.29Å; I120-I124 WeakPolarHBondContact O-CD1 3.42Å; I120-I124 VanDerWaalsContact O-CG1 3.26Å; I120-I124 WeakPolarHBondContact O-CG1 3.24Å; I120-I124 PolarHBondContact O-N 2.79Å; N121-I124 PolarHBondContact O-N 3.03Å; I124-L126 VanDerWaalsContact C-N 3.29Å; I124-L126 PolarHBondContact O-N 3.44Å; I124-M127 WeakPolarHBondContact O-CB 3.32Å; I124-M127 PolarHBondContact O-N 2.87Å; I124-I128 HydrophobicContact CG2-CD1 3.82Å; I124-I128 WeakPolarHBondContact O-CG1 3.34Å; I124-I128 PolarHBondContact O-N 2.88Å
125D83Confident70.7Confident82 Ų82113.9 Ų113.944%0.43956%0.557SS.*Hα-helixtrans-64.8-34.2178.2-79.4-35.9000111.9N121 E122 I128 S129N121-D125 PolarHBondContact ND2-OD2 3.04Å; N121-D125 PolarHBondContact O-N 3.38Å; E122-D125 PolarHBondContact O-N 3.43Å; D125-I128 PolarHBondContact O-N 3.3Å; D125-S129 VanDerWaalsContact O-CB 3.24Å; D125-S129 WeakPolarHBondContact O-CB 3.16Å; D125-S129 PolarHBondContact O-N 2.89Å; D125-S129 PolarHBondContact O-OG 3.33Å
126L81.8Confident70.2Confident89 Ų89116.6 Ų116.647%0.46658%0.576SS.*Hα-helixtrans-69.5-37.3173.2-171.264.9000111.9E122 I124 R130E122-L126 WeakPolarHBondContact O-CB 3.3Å; E122-L126 PolarHBondContact O-N 3.48Å; I124-L126 VanDerWaalsContact C-N 3.29Å; I124-L126 PolarHBondContact O-N 3.44Å; L126-R130 VanDerWaalsContact O-CB 3.32Å; L126-R130 WeakPolarHBondContact O-CB 3.36Å; L126-R130 VanDerWaalsContact O-CG 3.29Å; L126-R130 WeakPolarHBondContact O-CG 3.41Å; L126-R130 PolarHBondContact O-N 2.86Å
127M80.3Confident69.8Low96 Ų96114.8 Ų114.847%0.47358%0.579SS.*Hα-helixtrans-62.7-48.2170-98.2-170.6-77.600112D123 I124 S129 R130 Q131D123-M127 WeakPolarHBondContact O-CB 3.16Å; D123-M127 PolarHBondContact O-N 3.43Å; I124-M127 WeakPolarHBondContact O-CB 3.32Å; I124-M127 PolarHBondContact O-N 2.87Å; M127-S129 VanDerWaalsContact C-N 3.3Å; M127-S129 PolarHBondContact O-N 3.17Å; M127-R130 PolarHBondContact O-N 3.47Å; M127-Q131 WeakPolarHBondContact O-CB 3.18Å; M127-Q131 VanDerWaalsContact O-CG 3.3Å; M127-Q131 WeakPolarHBondContact O-CG 3.37Å; M127-Q131 PolarHBondContact O-N 2.83Å
128I81Confident69.2Low80 Ų80111.4 Ų111.441%0.4158%0.579SS.*Hα-helixtrans-60.7-43.1178.4-68165.1000110.2I124 D125 Q131 R132I124-I128 HydrophobicContact CG2-CD1 3.82Å; I124-I128 WeakPolarHBondContact O-CG1 3.34Å; I124-I128 PolarHBondContact O-N 2.88Å; D125-I128 PolarHBondContact O-N 3.3Å; I128-Q131 PolarHBondContact O-N 2.72Å; I128-R132 PolarHBondContact O-N 2.88Å
129S75.9Confident68.1Low63 Ų63112.4 Ų112.444%0.44160%0.599SS.*Hα-helixtrans-64.4-44.5177.1-60.90000112.2D125 M127 R132 L133D125-S129 VanDerWaalsContact O-CB 3.24Å; D125-S129 WeakPolarHBondContact O-CB 3.16Å; D125-S129 PolarHBondContact O-N 2.89Å; D125-S129 PolarHBondContact O-OG 3.33Å; M127-S129 VanDerWaalsContact C-N 3.3Å; M127-S129 PolarHBondContact O-N 3.17Å; S129-R132 PolarHBondContact O-N 3.26Å; S129-L133 PolarHBondContact O-N 3.02Å
130R74.1Confident66.4Low172 Ų172112.1 Ų112.165%0.64960%0.604SS**Hα-helixtrans-64.4-41.3175.7-78.8173.7167.7-100.5-0.6112.2L126 M127 R132 L133 C134L126-R130 VanDerWaalsContact O-CB 3.32Å; L126-R130 WeakPolarHBondContact O-CB 3.36Å; L126-R130 VanDerWaalsContact O-CG 3.29Å; L126-R130 WeakPolarHBondContact O-CG 3.41Å; L126-R130 PolarHBondContact O-N 2.86Å; M127-R130 PolarHBondContact O-N 3.47Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 3.43Å; R130-L133 PolarHBondContact O-N 2.94Å; R130-L133 VanDerWaalsContact O-N 3.11Å; R130-C134 PolarHBondContact O-N 3.41Å
131Q60.7Low64.9Low142 Ų142118.1 Ų118.166%0.66463%0.628SS**Hα-helixtrans-65.2-33.1176.9-72.4176.822.800112.2M127 I128 L133M127-Q131 WeakPolarHBondContact O-CB 3.18Å; M127-Q131 VanDerWaalsContact O-CG 3.3Å; M127-Q131 WeakPolarHBondContact O-CG 3.37Å; M127-Q131 PolarHBondContact O-N 2.83Å; I128-Q131 PolarHBondContact O-N 2.72Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 3.43Å
132R58.9Low63.1Low215 Ų215122.1 Ų122.181%0.81164%0.643SS**Hα-helixtrans-75.8-10.6172.8-74.3-170.2175.5-161.70.7115I128 S129 R130I128-R132 PolarHBondContact O-N 2.88Å; S129-R132 PolarHBondContact O-N 3.26Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 3.43Å
133L54.3Low61.7Low145 Ų145124.8 Ų124.876%0.75966%0.658SS**Hα-helixtrans-98.2-13178.4-78.3163.6000114.1S129 R130 Q131 A135S129-L133 PolarHBondContact O-N 3.02Å; R130-L133 PolarHBondContact O-N 2.94Å; R130-L133 VanDerWaalsContact O-N 3.11Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 3.43Å; L133-A135 VanDerWaalsContact C-N 3.34Å; L133-A135 PolarHBondContact O-N 2.85Å; L133-A135 VanDerWaalsContact O-N 3.14Å
134C43.8Very low60.1Low100 Ų100125 Ų12568%0.67667%0.665SS**  trans-86.768.5173.6-730000112.2R130 V136R130-C134 PolarHBondContact O-N 3.41Å; C134-V136 VanDerWaalsContact C-N 3.35Å; C134-V136 PolarHBondContact O-N 3.06Å
135A42Very low58.6Low97 Ų97127.7 Ų127.780%0.80269%0.685SS**  trans-72.183.4173.700000111.7L133L133-A135 VanDerWaalsContact C-N 3.34Å; L133-A135 PolarHBondContact O-N 2.85Å; L133-A135 VanDerWaalsContact O-N 3.14Å
136V50.9Low56.9Low127 Ų127130 Ų13077%0.7770%0.702SS**PPolyproline II helixtrans-75126.2173.3-178.10000109.6C134C134-V136 VanDerWaalsContact C-N 3.35Å; C134-V136 PolarHBondContact O-N 3.06Å
137P54.2Low55.6Low106 Ų106133.2 Ų133.269%0.68872%0.718SS**PPolyproline II helixtrans-70.4146.8178.529-34.7000111.7
138P56.7Low54.2Low105 Ų105134.4 Ų134.468%0.68273%0.733SS**PPolyproline II helixtrans-69.9146.7-179.129.3-35.2000111.9N140P138-N140 PolarHBondContact O-N 2.98Å
139P48.4Very low52.4Low128 Ų128137.3 Ų137.383%0.83175%0.754SS**PPolyproline II helixtrans-75.2119.2-176.129.7-34.2000111.9
140N41.2Very low51.2Low141 Ų141139.2 Ų139.275%0.75477%0.767SS**  trans-106.695.8167-76.3-63.1000109.7P138P138-N140 PolarHBondContact O-N 2.98Å
141F46.7Very low49.9Very low211 Ų211135.2 Ų135.293%0.92577%0.765SS**  trans-140.5107.5157.8-86.7-69.1000110.2
142E42.8Very low49.4Very low176 Ų176136.8 Ų136.882%0.82277%0.773SS**  trans-80.1140.1175.3-176.4178.9-177.700110
143M52.2Low48.5Very low170 Ų170133.1 Ų133.184%0.83777%0.769SS**  trans-146.394.5177.4-167.765.3152.700110.3
144P49.8Very low48Very low102 Ų102130 Ų13066%0.66276%0.759SS**  trans-86.4125.6-174.932.3-32.6000112
145V51.2Low48.1Very low135 Ų135132.5 Ų132.582%0.81877%0.765SS**  trans-135.7135.4167.4-178.70000109.8
146T48Very low48.1Very low130 Ų130132.7 Ų132.780%0.79876%0.756SS**  trans-110.7128.5-158.7-35.70000112.7
147I55.1Low47.7Very low156 Ų156137 Ų13780%0.876%0.76SS**  trans-137.4133.5163.8-60.8-175.5000107.9
148P49.8Very low47.1Very low121 Ų121136.7 Ų136.779%0.78676%0.761SS**  trans-86.3156.9-164.233.5-37000115
149V43.9Very low46.2Very low142 Ų142138.7 Ų138.786%0.86177%0.766SS**  trans-106.6132.7168.1166.20000110
150S51.5Low46.5Very low103 Ų103137.4 Ų137.472%0.7276%0.757SS**  trans-94.8121.5161.853.40000110.5
151S46.3Very low46.4Very low87 Ų87136.5 Ų136.561%0.60876%0.756SS**  28.6138.5125.3-37.20000118.6
152H49Very low46.3Very low176 Ų176131.6 Ų131.682%0.81575%0.748SS**  cis-146.7177.719.3-46.9-109.1000108.2
153N40Very low46.2Very low138 Ų138127.8 Ų127.874%0.73874%0.741SS**  cis-156.815710.7-159.314.7000111.2
154S45.1Very low46Very low79 Ų79127.9 Ų127.955%0.55274%0.744SS**  trans16.1137.1148.175.70000120.8
155L44.5Very low45.5Very low153 Ų153126.8 Ų126.880%0.80175%0.751SS**  cis-159163.942.7-89.9-179000114.3
156V43.2Very low45.2Very low101 Ų101128 Ų12861%0.61275%0.753SS**  trans-21.2155.9160.3-61.70000118
157Y41.2Very low45.3Very low217 Ų217126 Ų12685%0.85174%0.743SS**  cis-169.7174.10.3-109.6170.6000107.5
158S43.5Very low44.5Very low100 Ų100125.5 Ų125.570%0.69974%0.741SS**  cis-152.1-165.51.2-147.40000111.1
159N37.5Very low44.2Very low147 Ų147127.8 Ų127.879%0.78675%0.746SS**  trans-158.4-174.2177-130.2-13.6000109
160P53.3Low44.6Very low100 Ų100129.1 Ų129.165%0.64975%0.748SS**  cis-132.2-164.6-28.440.9-23.4000112.1
161V40.6Very low44.3Very low122 Ų122129.3 Ų129.374%0.73975%0.747SS**  162.3133.7110.672.80000114.7
162S43Very low44.2Very low108 Ų108133.3 Ų133.376%0.75576%0.76SS**  trans58.3148.7160.455.70000120.1
163S42.5Very low43.8Very low96 Ų96129.1 Ų129.167%0.67176%0.756SS**  cis-161.8134.7-6.5155.40000110.9
164L46Very low43.9Very low173 Ų173131.3 Ų131.391%0.90676%0.761SS**  trans34.1132.3157.2-69.791.2000121.8
165G40.2Very low43.7Very low79 Ų79133.4 Ų133.481%0.81477%0.773SS**  trans140105.5155.600000114.1
166N44.6Very low43.4Very low159 Ų159130.9 Ų130.985%0.8577%0.768SS**  trans-120.1174.9-175-140.122.7000110.9
167P49.5Very low43.4Very low89 Ų89133.3 Ų133.358%0.57878%0.777SS**  -132.1-158.1-95.542.9-26.3000113.9
168N40Very low43.5Very low145 Ų145130.2 Ų130.278%0.77577%0.77SS**  trans78.377161.8-62.1-13.1000118.8
169L42.5Very low43.3Very low170 Ų170135.4 Ų135.489%0.8978%0.775SS**  trans-129.8125.6138.7-72.6176.2000109.2
170L53.1Low43.3Very low170 Ų170134 Ų13489%0.8977%0.767SS**  trans-128.7143.7170.1-83.9-177.7000109
171P45.7Very low42.7Very low107 Ų107133 Ų13370%0.69576%0.763SS**  -141.4-162.4-103.842.3-25.6000114.1
172L42.7Very low43Very low170 Ų170135.3 Ų135.389%0.8977%0.767SS**  trans96.5108.7157.3-153.968.4000115.2
173A41.2Very low42.9Very low88 Ų88135.7 Ų135.773%0.72777%0.77SS**  trans-97.9162.8172.500000111.5
174H41.3Very low43.1Very low184 Ų184137.3 Ų137.385%0.85278%0.778SS**  trans-56.3154.6163.7-63.7-104000110.5
175P41.9Very low42.9Very low123 Ų123132.8 Ų132.880%0.79977%0.773SS**  -140.6174.567.638.4-20.1000116.5
176S38.2Very low43.2Very low101 Ų101135.7 Ų135.771%0.70678%0.775SS**  trans-68158.2167.247.40000112.6
177L43.7Very low43.2Very low151 Ų151135.1 Ų135.179%0.79178%0.777SS**  -176.6136.1119-97.2168.6000113.3
178Q43.2Very low42.8Very low153 Ų153139.6 Ų139.672%0.71579%0.79SS**  trans42.3139.8144.4-78.9-169.222.200125
179R38.1Very low43Very low208 Ų208143 Ų14379%0.78579%0.792SS**  trans97.9139.6133.5-91.9-178.1-177.2-128.60.9121
180N39.1Very low43.4Very low118 Ų118140.3 Ų140.363%0.63179%0.785SS**  trans57.4106.1154.3-72.884.7000117.7
181S40.1Very low43.4Very low79 Ų79137.7 Ų137.755%0.55278%0.778SS**  91.3156.557.669.70000113.6
182M45.8Very low43.3Very low171 Ų171138.2 Ų138.284%0.84278%0.784SS**  trans85.8104.3177-45.7-49.416900115.7
183S41.8Very low43.6Very low115 Ų115135.3 Ų135.380%0.80478%0.784SS**  trans-93.2-167.8160-27.70000109
184P46.6Very low43.7Very low131 Ų131134.4 Ų134.485%0.85178%0.784SS**  cis-123.2178.7-36.536.6-21.9000111.3
185G41.8Very low43.7Very low77 Ų77132.7 Ų132.779%0.79478%0.781SS**  trans-178.1133.7167.600000115.1
186V47.6Very low43.8Very low141 Ų141132.9 Ų132.986%0.85578%0.78SS**  trans-106.2142.6173.4-68.90000110.9
187T42.9Very low44.1Very low146 Ų146132 Ų13290%0.89679%0.787SS**  trans-166.5155.4160.10.20000112.3
188H42.3Very low43.9Very low183 Ų183128.3 Ų128.385%0.84779%0.785SS**  trans-100.6143.7175.2-90.4-110.2000112.3
189R43.6Very low44.2Very low218 Ų218128.8 Ų128.882%0.82379%0.792SS**  trans34.6120.4140.3-169.3-130.8-176.2-165.80.3120
190P49.9Very low44.6Very low113 Ų113127.6 Ų127.673%0.73480%0.797SS**  -142.4-164127.436.9-19000112.5
191P54.2Low44.8Very low114 Ų114125.6 Ų125.674%0.7481%0.805SS**  -127.3-154.9-66.840.7-25.8000112.5
192S43.5Very low45Very low118 Ų118125.2 Ų125.283%0.82581%0.813SS**  trans-138.5140.6177.8-51.40000113.3
193A49.8Very low44.7Very low109 Ų109124.1 Ų124.190%0.90181%0.811SS**  trans-166.8156.7165.500000108.4
194G43Very low45Very low70 Ų70125.4 Ų125.472%0.72281%0.808SS**  cis178.2142.3-10.900000112.8
195N41.2Very low44.9Very low148 Ų148124.5 Ų124.579%0.79180%0.8SS**  trans41.7127143.1-166.742.9000122.6
196T43.6Very low44.8Very low126 Ų126126.6 Ų126.677%0.77380%0.802SS**  172129.1115.340.60000114.3
197G43.4Very low44.5Very low84 Ų84123 Ų12387%0.86680%0.795SS**  trans74.4150153.500000119.4
198G41Very low44.4Very low72 Ų72121.6 Ų121.674%0.74280%0.798SS**  cis167.7146.7-13.300000115.7
199L48.2Very low44.3Very low164 Ų164115.7 Ų115.786%0.85979%0.786SS**  trans77.6138.8159.1-51.5177.4000121.3
200M46.7Very low44.3Very low182 Ų182112 Ų11290%0.89779%0.788SS**  trans61.7143.6165.9-45.4-44.2-153.800119.9
201G43Very low44Very low76 Ų76112.2 Ų112.278%0.78479%0.792SS**  cis147.894-13.500000115.5
202G44.4Very low43.7Very low71 Ų71111.7 Ų111.773%0.73280%0.798SS**  trans72.9170.8169.800000116.5
203D41Very low43.8Very low148 Ų148109.7 Ų109.779%0.79180%0.796SS**  cis-166.9173.1-19.1-134.8-40.1000112.4
204L48Very low43.3Very low142 Ų142112.5 Ų112.574%0.74380%0.795SS**  trans64.5110.8147.1-71.3170000124.2
205T43.2Very low43.2Very low113 Ų113111.9 Ų111.969%0.69379%0.789SS**  trans66.8138.7136.5134.20000125.4
206S40.3Very low43.4Very low120 Ų120116.1 Ų116.184%0.83980%0.796SS**  trans67.2155.6147.2-56.80000119.8
207G40.7Very low43.5Very low67 Ų67113.6 Ų113.669%0.69180%0.795SS**  cis158142.8-6.900000112.6
208A41.1Very low43.8Very low116 Ų116116.9 Ų116.996%0.95979%0.792SS**  trans63.4158.5-174.800000115.9
209G40.8Very low44.3Very low59 Ų59118.5 Ų118.561%0.60879%0.79SS**  cis170.1149.8-15.400000115.9
210T43.6Very low44.2Very low139 Ų139121.4 Ų121.485%0.85379%0.789SS**  trans71.4152.415565.40000122.4
211S44Very low44Very low118 Ų118118.4 Ų118.483%0.82578%0.777SS**  trans74146.216677.80000118.4
212A46.9Very low44.2Very low104 Ų104119.8 Ų119.886%0.8678%0.775SS**  cis-162.3150.5-26.500000109.6
213G45.8Very low44.6Very low76 Ų76122 Ų12278%0.78478%0.776SS**  trans167.6102.8173.100000116.4
214N40.1Very low44.8Very low167 Ų167118 Ų11889%0.89377%0.77SS**  trans-76.6161.5160.9-70.2-6.1000109.7
215G40.4Very low44.7Very low57 Ų57118.7 Ų118.759%0.58877%0.774SS**  cis160.6-179.9-0.100000110.6
216Y44.9Very low44.8Very low238 Ų238120.5 Ų120.593%0.93378%0.779SS**  trans64.4145.8-177.7-48.7-87.7000115.2
217G45.2Very low45.2Very low73 Ų73121.2 Ų121.275%0.75378%0.778SS**  cis133.295.8-6.500000112.5
218N49.6Very low45.4Very low152 Ų152123 Ų12381%0.81378%0.779SS**  trans-151.8105.7177.3-169.737.7000114.8
219P52.2Low45.7Very low107 Ų107123.8 Ų123.870%0.69578%0.775SS**  trans-121.3169.4154.337.9-28000112.1
220R46Very low46Very low224 Ų224124.9 Ų124.985%0.84579%0.786SS**  trans79160.4-173.2-46163.687.6147.16.5111.3
221N43.6Very low45.9Very low119 Ų119125.1 Ų125.164%0.63678%0.782SS**  cis-141.9156.512.5-154.161.7000108.8
222S46.9Very low46.6Very low105 Ų105127.8 Ų127.873%0.73479%0.786SS**  176.5164.785.5-84.50000112.4
223P51.8Low46.4Very low117 Ų117129.7 Ų129.776%0.7678%0.782SS**  trans-136175.8-143.643-27.1000118.4
224G45.8Very low46.7Very low65 Ų65136.3 Ų136.367%0.6779%0.789SS**  trans118.8156.5152.600000117.5
225L45.5Very low46.8Very low156 Ų156135.1 Ų135.182%0.81778%0.783SS**  cis-158.7132.9-15.9-88.3-178.6000111.2
226L45.3Very low47.5Very low152 Ų152139.9 Ų139.980%0.79679%0.793SS**  trans62.8160.8141.1-60.6170.8000123.9
227V48.6Very low47.6Very low135 Ų135136.9 Ų136.982%0.81879%0.787SS**  trans74.2133.3165.9-1710000117.1
228S45.5Very low47.6Very low103 Ų103137.2 Ų137.272%0.7278%0.783SS**  cis-163.8156.3-27.8-950000108.6
229P47.4Very low47.3Very low134 Ų134140 Ų14087%0.8779%0.788SS**  trans-83152.1-176.733.5-35.6000114
230G46.7Very low46.8Very low82 Ų82140.3 Ų140.385%0.84579%0.793SS**  trans-147.8125.5172.700000111.5
231N42.5Very low47.8Very low143 Ų143135.5 Ų135.577%0.76579%0.791SS**  trans-125.7115.6-166.3175.790.4000111.6
232L58.1Low48.8Very low174 Ų174135 Ų13591%0.91179%0.794SS**  trans-140.8121.4171.3-77.5179.5000112.7
233N43.1Very low49Very low145 Ų145136.2 Ų136.278%0.77580%0.8SS**  trans-67.6136.5170.1-70.8-28.5000111.5
234K50.7Low49Very low214 Ų214138.6 Ų138.693%0.9380%0.803SS**  trans-138.3113.7138.4-72.5-161.8177.4-179.70110.8
235N42.3Very low48.8Very low143 Ų143142.9 Ų142.977%0.76581%0.81SS**  trans-71.7134170.7167.524.3000110.1
236I55Low48.8Very low156 Ų156141.7 Ų141.780%0.880%0.804SS**  trans-165.9150.2139-102.6153.3000111.4
237Q48.5Very low48.5Very low175 Ų175137.6 Ų137.682%0.81880%0.798SS**  trans-49.8159.4179-49.5163.54.600113.2
238A44.8Very low48.7Very low81 Ų81139.1 Ų139.167%0.66980%0.798SS**  cis-162.2150.928.100000115.4
239K43.8Very low48.7Very low210 Ų210141.3 Ų141.391%0.91380%0.802SS**  trans49.7102.5144.3-63.7175.7-178.9179.40120
240S41.9Very low48.6Very low113 Ų113140.8 Ų140.879%0.7979%0.792SS**PPolyproline II helixtrans-103.1152.2145.854.30000110.8
241P66.1Low48.7Very low124 Ų124147.3 Ų147.381%0.80579%0.791SS**PPolyproline II helixtrans-86.4145.5176.5-6.725.6000112.8
242P63.9Low48.7Very low108 Ų108149.8 Ų149.870%0.70180%0.795SS**PPolyproline II helixtrans-82.7159.3171.934.9-35.2000112.5
243P52.9Low48.7Very low131 Ų131147.4 Ų147.485%0.85179%0.79SS**PPolyproline II helixtrans-74.3128.5173.530.7-33.6000111.3
244M50.1Low48.6Very low167 Ų167145.8 Ų145.882%0.82378%0.781SS**  trans-91.2112172.8-66.5-163.1-60.300111.1L246M244-L246 HydrophobicContact CB-CD1 4.04Å
245N41.4Very low48.3Very low154 Ų154143.2 Ų143.282%0.82478%0.777SS**  trans-89.2109166.9178.712.1000109.3
246L47.1Very low48.6Very low132 Ų132145.8 Ų145.869%0.69178%0.776SS**  trans-106.690.2169.8-91.475.1000110M244M244-L246 HydrophobicContact CB-CD1 4.04Å
247G39.2Very low48.5Very low65 Ų65144.3 Ų144.367%0.6777%0.773SS**  trans-85.8109.3161.800000110
248M51.4Low48.6Very low168 Ų168143.7 Ų143.783%0.82878%0.775SS**  trans-138.6125.9170.9-102146.570.200112.2
249N46.3Very low49Very low149 Ų149146.7 Ų146.780%0.79778%0.778SS**  trans-66.4139.2-175.7-45.6-76.9000111.8
250N44.4Very low49.8Very low123 Ų123141.7 Ų141.766%0.65877%0.767SS**  -179.4148.4109.6-101.9-68.1000115.1
251R49.3Very low50.5Low219 Ų219142.4 Ų142.483%0.82677%0.769SS**  trans58.6109.2143.9-65.3159.3-158.2-160.9-2.4119.2
252K42.7Very low49.4Very low194 Ų194140.2 Ų140.284%0.84377%0.769SS**  trans-56.4145155.7-58.4173.1176.61800111.1
253P57Low48.5Very low125 Ų125141 Ų14181%0.81278%0.777SS**  trans-77.6113.414931.2-28.3000109.4L255P253-L255 PolarHBondContact O-N 3.39Å
254D41.3Very low48.1Very low110 Ų110144.4 Ų144.459%0.58878%0.779SS**  trans-84.195.1168.9177.440.7000108.4R256D254-R256 VanDerWaalsContact C-N 3.34Å; D254-R256 PolarHBondContact O-N 3.38Å; D254-R256 IonicContact OD2-CZ 3.48Å; D254-R256 IonicContact OD2-NE 2.81Å; D254-R256 PolarHBondContact OD2-NE 3.47Å; D254-R256 IonicContact OD2-NH2 3.24Å; D254-R256 PolarHBondContact OD2-NH2 2.91Å
255L44.1Very low47.6Very low160 Ų160144.6 Ų144.684%0.83878%0.783SS**  trans-79.680.8-173.7-165.776.2000111.2P253 V257P253-L255 PolarHBondContact O-N 3.39Å; L255-V257 PolarHBondContact O-N 2.91Å
256R49.3Very low47.7Very low198 Ų198143.3 Ų143.375%0.74778%0.781SS**  trans-69.4113.7175.1-61.1-176.9-169.8174.14110.6D254 L258D254-R256 VanDerWaalsContact C-N 3.34Å; D254-R256 PolarHBondContact O-N 3.38Å; D254-R256 IonicContact OD2-CZ 3.48Å; D254-R256 IonicContact OD2-NE 2.81Å; D254-R256 PolarHBondContact OD2-NE 3.47Å; D254-R256 IonicContact OD2-NH2 3.24Å; D254-R256 PolarHBondContact OD2-NH2 2.91Å; R256-L258 PolarHBondContact O-N 3.12Å
257V53.9Low47.3Very low124 Ų124145 Ų14575%0.75279%0.787SS**  trans-67.4112.6168.4-179.30000108.2L255 I259L255-V257 PolarHBondContact O-N 2.91Å; V257-I259 HydrophobicContact CG1-CG1 4.18Å; V257-I259 PolarHBondContact O-N 3.32Å
258L50.4Low47.4Very low163 Ų163146.9 Ų146.985%0.85379%0.788SS**  trans-82.6109.9176-151.987.8000108.8R256 P260R256-L258 PolarHBondContact O-N 3.12Å; L258-P260 WeakPolarHBondContact O-CD 3.4Å
259I53.2Low46.4Very low143 Ų143143.9 Ų143.973%0.73378%0.784SS**PPolyproline II helixtrans-95.3116.7177.9-59.3175.6000108.7V257V257-I259 HydrophobicContact CG1-CG1 4.18Å; V257-I259 PolarHBondContact O-N 3.32Å
260P61Low46.1Very low105 Ų105143.1 Ų143.168%0.68278%0.784SS**PPolyproline II helixtrans-68140.3168.9-16.931.9000110.7L258L258-P260 WeakPolarHBondContact O-CD 3.4Å
261P55.9Low45.9Very low129 Ų129142.8 Ų142.884%0.83879%0.791SS**PPolyproline II helixtrans-68.9141176.329.5-34.4000111
262G42.8Very low46Very low78 Ų78141.1 Ų141.180%0.80479%0.793SS**PPolyproline II helixtrans-78.7148.4-168.900000115.6
263S45.5Very low46Very low124 Ų124139.7 Ų139.787%0.86780%0.795SS**PPolyproline II helixtrans-95.2134.1159.545.40000109.8
264K43.9Very low45.7Very low202 Ų202139.7 Ų139.788%0.87879%0.792SS**PPolyproline II helixtrans-86.2138.1179.6-56.1166-174172.90109.2
265N38.7Very low45.6Very low171 Ų171141.5 Ų141.591%0.91480%0.801SS**  trans-165.5164.7147.2-101.5-9.6000110.5
266T44.4Very low45.7Very low127 Ų127142.5 Ų142.578%0.77981%0.807SS**  trans-119.6168.4-159.1-42.40000111.9
267M39.6Very low45.5Very low167 Ų167140.4 Ų140.482%0.82381%0.809SS**  trans102.9149.3167.4-57.3-54.3-78.900116
268P39.4Very low44.9Very low105 Ų105142.7 Ų142.768%0.68282%0.817SS**  trans-127.7167.4-131.744.2-33.6000117.2
269S31.8Very low44.2Very low106 Ų106142.6 Ų142.674%0.74182%0.817SS**  trans35.1108139.3-171.30000119.8
270V40.5Very low43.5Very low133 Ų133144.3 Ų144.381%0.80682%0.822SS**  trans-127.5148.1131.8-70.90000108.8
271S38.4Very low42.3Very low116 Ų116150.9 Ų150.981%0.81183%0.833SS**  trans-152.8125168.9-680000106.1
272E51.5Low41.8Very low184 Ų184152.6 Ų152.686%0.8683%0.833SS**  trans-95.7138.9-169.8-63.9176113.500110.6
273D44.3Very low41.8Very low164 Ų164154.9 Ų154.988%0.87783%0.827SS**  trans-69133173.2-64-84.1000111
274V50Low41.6Very low125 Ų125156.1 Ų156.176%0.75882%0.824SS**  trans-138.1121.9166.9-96.40000111.7
275D39.6Very low41.2Very low147 Ų147151 Ų15179%0.78681%0.814SS**  trans61.562.1150.6-57.6-46.8000120.5L277D275-L277 PolarHBondContact O-N 3.14Å
276L45.6Very low41.4Very low181 Ų181151.7 Ų151.795%0.94881%0.812SS**  trans-89.460147.7-82.9175.5000112.1
277L45.9Very low41.3Very low154 Ų154151 Ų15181%0.80681%0.812SS**  trans-14654.2178.9-155.378.1000117.1D275D275-L277 PolarHBondContact O-N 3.14Å
278L40.4Very low41.4Very low172 Ų172147.1 Ų147.190%0.90181%0.806SS**SBendtrans-14556.7162-156.672.1000114.9
279N36.4Very low41.6Very low162 Ų162150.8 Ų150.887%0.86682%0.815SS**SBendtrans-153.932.6166.5-132.4-15000116.7
280Q37.9Very low42Very low179 Ų179151.1 Ų151.184%0.83682%0.817SS**  trans-157.983.2168.4-141.4177.910900117.1
281R36Very low42.1Very low243 Ų243153.4 Ų153.492%0.91782%0.824SS**  -166.6127.1127.9-118.5157.6-75.3-157-0.8113.1
282I46.2Very low42.6Very low164 Ų164152.6 Ų152.684%0.84182%0.824SS**  trans-103.7141.7165.3-70.8169.4000107.2
283N42.6Very low42Very low127 Ų127150.4 Ų150.468%0.67982%0.823SS**  trans60.6103.5163.1-172.452.8000118.6
284N40.5Very low42.5Very low149 Ų149148.1 Ų148.180%0.79782%0.817SS**  -164.5141.7108.6-113.8-2.8000111.7
285S36.5Very low42.4Very low96 Ų96148.5 Ų148.567%0.67182%0.82SS**  trans-95.2135.8179.9-53.80000112.1
286Q42.2Very low43Very low185 Ų185147.9 Ų147.986%0.86482%0.821SS**  -178142.8124.9-101.5155.8103.400115.3
287S41.7Very low43.4Very low113 Ų113144.4 Ų144.479%0.7981%0.811SS**  trans56.9124.314764.80000122.6
288A41.6Very low43.6Very low84 Ų84144 Ų14469%0.69482%0.815SS**  102.4101.9128.100000121.2
289Q45Very low44.3Very low183 Ų183140.4 Ų140.486%0.85581%0.811SS**  89.9117.2123.8-69.7-178.410.700122.1
290S40.2Very low44.7Very low112 Ų112139 Ų13978%0.78381%0.808SS**  trans85.7112.5135.2-590000119.9
291L41.9Very low45.2Very low182 Ų182135.9 Ų135.995%0.95380%0.803SS**  trans-80.1137.4165.2-64.8164.2000110.5
292A48.2Very low45.7Very low99 Ų99129.9 Ų129.982%0.81879%0.794SS**  trans-148.5126.1162.500000109.7
293T40Very low45.9Very low137 Ų137130 Ų13084%0.8480%0.795SS**PPolyproline II helixtrans-100.4132.9-177.743.90000112
294P54.4Low46Very low117 Ų117130 Ų13076%0.7680%0.802SS**PPolyproline II helixtrans-97.4122.4158.532.8-26.6000110.5
295V47.4Very low46.4Very low133 Ų133126.6 Ų126.681%0.80680%0.802SS**PPolyproline II helixtrans-79.5140.3165.5170.40000109
296V52.1Low46.7Very low134 Ų134132 Ų13281%0.81282%0.817SS**  trans-123.8128.5168-178.30000108.9
297S54.4Low46.8Very low107 Ų107126.8 Ų126.875%0.74881%0.812SS**  trans-76.9145.2-173.7-57.40000113.1
298V49.6Very low46.9Very low145 Ų145130.6 Ų130.688%0.87982%0.82SS**  trans-72.6140.9164.7-71.30000111.1
299A56.2Low46.9Very low98 Ų98130.1 Ų130.181%0.8182%0.823SS**  trans-143.9121171.100000110.1
300T44.3Very low46.5Very low132 Ų132124.6 Ų124.681%0.8182%0.816SS**  trans-128.3129.5178.9-46.40000109.2
301P48.8Very low46.7Very low113 Ų113130 Ų13073%0.73482%0.82SS**  trans-139.5111.2144.430.8-13.4000113.5
302T45.3Very low46.7Very low118 Ų118127 Ų12772%0.72481%0.812SS**  trans34.9139.8131.756.40000123.3
303L50.6Low46.4Very low165 Ų165128.6 Ų128.686%0.86482%0.817SS**  trans93.4133.1153.5-100.470.9000118.8
304P45.7Very low46.4Very low129 Ų129126.6 Ų126.684%0.83882%0.815SS**  trans-100158.2-17639.3-34.8000114
305G47.5Very low46.2Very low77 Ų77129.2 Ų129.279%0.79482%0.82SS**  trans-139.4141.9166.900000111.1
306Q44.1Very low45.4Very low209 Ų209128.3 Ų128.398%0.97782%0.82SS**  trans-87.2139.1178.9-63.9175.4-60.200111.1
307G43.6Very low44.8Very low75 Ų75128.2 Ų128.277%0.77382%0.82SS**  trans-169.8140.517300000111.8
308M44.9Very low43.7Very low193 Ų193129 Ų12995%0.95182%0.82SS**  trans-119.4141.8-175.8-78.3-99.483.800112.1
309G40.1Very low43.3Very low74 Ų74133 Ų13376%0.76382%0.821SS**  trans115120.8141.200000118.8
310G36.9Very low42.5Very low67 Ų67131.7 Ų131.769%0.69182%0.818SS**  trans75.5150.1160.300000116.4
311Y43.9Very low42.1Very low226 Ų226131.4 Ų131.489%0.88682%0.816SS**  cis-147154.7-3.9-76.6-98.7000109.3
312P43.3Very low41.7Very low120 Ų120132.4 Ų132.478%0.77981%0.81SS**  trans-90.9159.9170.837.7-34.6000112.4
313S41.8Very low41.3Very low131 Ų131137 Ų13792%0.91682%0.816SS**  trans-150.9137.6163.4-77.60000109.8
314A40.4Very low40.9Very low96 Ų96135.2 Ų135.279%0.79382%0.817SS**  trans-125149.3-179.700000110
315I48.5Very low40.6Very low171 Ų171137.3 Ų137.388%0.87782%0.821SS**  trans-129.8135.1173.347.1173.9000108.8
316S31.5Very low40Very low115 Ų115139.5 Ų139.580%0.80482%0.824SS**  trans-110.3143.6-178.7-550000110.4
317T38.6Very low39.7Very low131 Ų131135.2 Ų135.280%0.80482%0.817SS**  trans-127.6130.2171.5-58.50000108.6
318T33Very low39.9Very low124 Ų124134.5 Ų134.576%0.76180%0.804SS**  trans-125.4123.6-173.3-59.80000111.5
319Y40Very low39.9Very low229 Ų229132.4 Ų132.490%0.89880%0.796SS**  trans-150.4140.3160.3-77-87.7000106.2
320G38.8Very low40.1Very low71 Ų71137.5 Ų137.573%0.73281%0.805SS**  cis-162.6-170.8-3.700000110.8
321T37.5Very low40.4Very low126 Ų126139.5 Ų139.577%0.77381%0.808SS**  trans-64.6168.1173.246.80000112.4
322E39.7Very low40.5Very low133 Ų133133.3 Ų133.362%0.62180%0.798SS**  cis-140.21712.332-106.68500108.4
323Y37.7Very low40.4Very low216 Ų216135.9 Ų135.985%0.84780%0.804SS**  -159.4154.663.7-63.3-85.3000111.6
324S41.9Very low40.3Very low126 Ų126135.2 Ų135.288%0.88180%0.8SS**  trans-78.6147.9-171.3-58.90000115.4
325L39.4Very low40.2Very low174 Ų174133.3 Ų133.391%0.91179%0.789SS**  trans-67.6151.2170.6-62.6169.7000112.2
326S35.2Very low39.5Very low123 Ų123134.8 Ų134.886%0.8679%0.79SS**  trans-121.3114.3156.8-172.70000109
327S37.7Very low39.6Very low119 Ų119137.3 Ų137.383%0.83279%0.794SS**  trans-100113.4-176.154.70000111.3
328A47Very low39.5Very low60 Ų60137.6 Ų137.650%0.49680%0.796SS.*  trans-137.1-57.5175.300000113L330 S331A328-L330 PolarHBondContact O-N 3.14Å; A328-S331 PolarHBondContact O-OG 3.37Å
329D45Very low39.7Very low149 Ų149136.3 Ų136.380%0.79780%0.798SS**G310 helixtrans-84.45.8-158.2-56.9-65.1000116.9S331D329-S331 VanDerWaalsContact C-N 3.3Å; D329-S331 PolarHBondContact O-N 3.26Å
330L44.4Very low39.5Very low181 Ų181131.3 Ų131.395%0.94880%0.796SS**G310 helixtrans-88.810.8176.9-63.8-178000114.1A328A328-L330 PolarHBondContact O-N 3.14Å
331S42.5Very low39.5Very low108 Ų108132.2 Ų132.276%0.75580%0.797SS**G310 helixtrans-90.2-4.2-176.2-550000114.5A328 D329A328-S331 PolarHBondContact O-OG 3.37Å; D329-S331 VanDerWaalsContact C-N 3.3Å; D329-S331 PolarHBondContact O-N 3.26Å
332S47.6Very low39.5Very low96 Ų96134.5 Ų134.567%0.67180%0.804SS**SBendtrans-120.379.4-173.561.10000113.2
333L40.6Very low39.4Very low174 Ų174136.5 Ų136.591%0.91181%0.813SS**  trans-177.268.4147.6-100.9163.8000110.1
334S39.1Very low39.3Very low117 Ų117133.4 Ų133.482%0.81881%0.81SS**  trans-114135.5169.256.10000110.1
335G37.8Very low39.3Very low56 Ų56131.2 Ų131.258%0.57781%0.808SS**  trans100137-163.100000111.2
336F35.5Very low39.2Very low202 Ų202128.2 Ų128.289%0.88680%0.801SS**  cis-116.5132.217.5-67.1-100.2000112.6
337N32.5Very low39.7Very low168 Ų168128.8 Ų128.890%0.89880%0.799SS**  trans-158.587.8165.8-102.5-40.1000109.3
338T37.6Very low40.2Very low137 Ų137129.5 Ų129.584%0.8480%0.799SS**  trans-145.6115.4176.143.10000110.1
339A35.6Very low39.9Very low97 Ų97129.8 Ų129.880%0.80281%0.808SS**  trans-93.9142.9169.100000110.5
340S36.8Very low40Very low124 Ų124133.6 Ų133.687%0.86781%0.811SS**  trans177.4165.7150.5-87.10000113
341A39.5Very low39.9Very low91 Ų91132 Ų13275%0.75280%0.799SS**  trans68.984.215800000120
342L35.8Very low40Very low173 Ų173133 Ų13391%0.90679%0.792SS**  26.7126.8116.4-53171.6000119.9
343H38Very low39.7Very low175 Ų175135 Ų13581%0.8179%0.79SS**  -165.6166.6113.4-161.4-102.3000112.5
344L35.5Very low39.7Very low151 Ų151133.2 Ų133.279%0.79178%0.777SS**  trans-85.9156177.9-79.263.9000113.4
345G42.2Very low39.8Very low81 Ų81133.8 Ų133.884%0.83577%0.77SS**  trans-166144.6164.400000111.1
346S38.1Very low40.1Very low110 Ų110138.1 Ų138.177%0.76978%0.775SS**  trans-154170-173-170.50000112.3
347V45.6Very low40.2Very low135 Ų135134.9 Ų134.982%0.81877%0.767SS**  trans64.9150.6178.4-39.90000115.5
348T46.7Very low40.8Very low135 Ų135134.5 Ų134.583%0.82876%0.762SS**  cis-132.1179.6-451.10000109.4
349G41.1Very low41.1Very low66 Ų66133 Ų13368%0.6875%0.754SS**  cis135.487.6-9.700000115.3
350W48.2Very low41.8Very low229 Ų229134.1 Ų134.187%0.86775%0.753SS**  trans-127.5119.6167.2-69.886000108.1
351Q41.8Very low42.3Very low148 Ų148134.1 Ų134.169%0.69275%0.753SS**  83.3121.561.1-158.2177.117.400112
352Q43.7Very low42.3Very low129 Ų129134 Ų13460%0.60375%0.752SS**  cis-171.8145.8-3.1161.9177-23.500113.5
353Q42.7Very low42.5Very low137 Ų137133.5 Ų133.564%0.6475%0.75SS**  trans62.3149.3162.9-73.2170.1-44.400118.3
354H40.8Very low42.4Very low137 Ų137130 Ų13063%0.63475%0.745SS**  cis-159-177.2-6.1-117.7-27.2000108.2
355L41.2Very low42.7Very low129 Ų129131.4 Ų131.468%0.67575%0.747SS**  cis-139.7-117.87.8-158.6118.2000111.4
356H42.5Very low42.7Very low146 Ų146135.8 Ų135.868%0.67675%0.751SS**  trans-148.3169.6179.5-54.491.3000107.1
357N38.2Very low42.9Very low135 Ų135134 Ų13472%0.72275%0.75SS**  cis-160.9-173.721.4-118.5-19.6000107.4
358M44.6Very low42.5Very low160 Ų160132.3 Ų132.379%0.78875%0.75SS**  cis-157.6177.90.6-112-112.216600109
359P45.3Very low42.2Very low106 Ų106131.2 Ų131.269%0.68875%0.746SS**  trans-110.3177.4-162.241.9-34.8000117.6
360P49.9Very low42.3Very low120 Ų120134.5 Ų134.578%0.77975%0.753SS**  trans-107.3173.3-173.741.3-35.3000116.2
361S46.5Very low41.9Very low124 Ų124128.3 Ų128.387%0.86775%0.745SS**  trans-154.1173.1171.8-71.50000112.4
362A39.4Very low41.8Very low88 Ų88127 Ų12773%0.72775%0.747SS**  177.180.3-61.500000112.6
363L40Very low41.7Very low163 Ų163128.3 Ų128.385%0.85375%0.753SS**  trans-157.3142.8172.8-136.469000110.3
364S37.1Very low41.5Very low101 Ų101129.2 Ų129.271%0.70676%0.761SS**  cis105.383.33.6-54.70000117.9
365Q42.1Very low41.3Very low181 Ų181127.3 Ų127.385%0.84676%0.764SS**  trans-167.3140.7154-105.3163.7-16.700108.1
366L41.9Very low41.3Very low173 Ų173129.9 Ų129.991%0.90677%0.772SS**  cis111.4137.914.9-80.7169.2000114
367G41.4Very low41.2Very low72 Ų72128 Ų12874%0.74278%0.776SS**  trans108.7107.7-177.200000113
368A38.5Very low41.2Very low99 Ų99126.9 Ų126.982%0.81878%0.778SS**  cis85.888.61.700000119.1
369C39.6Very low41Very low112 Ų112127 Ų12776%0.75778%0.782SS**  trans-169.5116.8158.252.50000109
370T42.4Very low40.5Very low136 Ų136129.6 Ų129.683%0.83479%0.789SS**  62.8137.383.262.90000115
371S39.9Very low40Very low99 Ų99129.2 Ų129.269%0.69279%0.789SS**  cis-161.61650.5-152.20000114
372T39.1Very low39.9Very low119 Ų119130.2 Ų130.273%0.7378%0.784SS**  trans2.9150.5146.659.20000120.9
373H41.7Very low40Very low158 Ų158131.4 Ų131.473%0.73178%0.784SS**  -173.6151.153.465.8-77.3000115.6
374L38.4Very low40.2Very low156 Ų156128.5 Ų128.582%0.81778%0.778SS**  trans52.7152.4156.9-79.177.7000119.4
375S38.7Very low40.3Very low97 Ų97129.3 Ų129.368%0.67878%0.778SS**  cis-147.916519.2-44.80000114.5
376Q39.6Very low40.5Very low183 Ų183130.2 Ų130.286%0.85578%0.783SS**  trans79.2126.2154.8-67.5179.110.300122.1
377S40.7Very low40.6Very low107 Ų107127.6 Ų127.675%0.74878%0.779SS**  trans64.698.1157.6370000121.3
378S39.4Very low41.3Very low111 Ų111131.6 Ų131.678%0.77678%0.783SS**  trans69.570130.7-49.60000119.5
379N38.9Very low41.9Very low161 Ų161134.2 Ų134.286%0.86178%0.783SS**  trans-161144155.2-116.1-80.1000112.6
380L35.9Very low42.9Very low161 Ų161135.5 Ų135.584%0.84378%0.781SS**  trans165.9146162.9-93.1158.1000106.9
381S38.5Very low43.5Very low112 Ų112138.4 Ų138.478%0.78378%0.782SS**  cis-135.4154.718.748.60000115.8
382L43.8Very low44.5Very low146 Ų146138.6 Ų138.676%0.76478%0.783SS**  trans-77-172.1179.1-9565.4000113.3
383P43.2Very low45.7Very low112 Ų112141.4 Ų141.473%0.72779%0.788SS**  cis-124.7167.80.818.58.3000114.3
384S44.1Very low46.7Very low102 Ų102139.5 Ų139.571%0.71379%0.789SS**  68.4138.753.5-137.20000113.6
385T39.6Very low48.2Very low118 Ų118138.7 Ų138.772%0.72479%0.791SS**  cis-145.2152.521.451.30000113.6
386Q46.1Very low49.2Very low201 Ų201139 Ų13994%0.93979%0.793SS**  trans-165.9138.7133.1-118.6174.285.100111.6
387S43.5Very low50.7Low117 Ų117135.8 Ų135.882%0.81879%0.788SS**  trans-104.2115.3-169.254.70000113
388L55.4Low51.8Low157 Ų157136 Ų13682%0.82279%0.787SS**  trans-91.1109.8172.5-77.4167.1000111.1I390L388-I390 HydrophobicContact CB-CG1 4.29Å; L388-I390 PolarHBondContact O-N 2.94Å
389N52Low52.8Low153 Ų153142.6 Ų142.682%0.81880%0.795SS**  trans-86.985.5170.4-176-1.5000109.8K391N389-K391 PolarHBondContact O-N 3.41Å
390I59.4Low53.5Low140 Ų140141.6 Ų141.672%0.71879%0.79SS**  trans-85.9101.6176.8-59.6174.4000108.6L388 S392L388-I390 HydrophobicContact CB-CG1 4.29Å; L388-I390 PolarHBondContact O-N 2.94Å; I390-S392 PolarHBondContact O-N 3.11Å
391K56.3Low53.8Low196 Ų196145.6 Ų145.685%0.85279%0.793SS**  trans-70.9108.3175.9-176.8178.6179.1-178.90109.9N389N389-K391 PolarHBondContact O-N 3.41Å
392S61.2Low54.3Low103 Ų103146.2 Ų146.272%0.7279%0.793SS**PPolyproline II helixtrans-62142.5176.956.20000112.4I390I390-S392 PolarHBondContact O-N 3.11Å
393E64.2Low54.3Low178 Ų178145.2 Ų145.283%0.83279%0.793SS**PPolyproline II helixtrans-64.1154.9169.7-85.9-168.9103.700112.6
394P62.1Low54.3Low118 Ų118146 Ų14677%0.76680%0.796SS**PPolyproline II helixtrans-71.3133.6173.630.7-33.9000111.1
395V68.8Low54.1Low140 Ų140147 Ų14785%0.84880%0.799SS**PPolyproline II helixtrans-67.8134177.263.70000111.8
396S60.5Low54.1Low102 Ų102145.9 Ų145.971%0.71380%0.797SS**PPolyproline II helixtrans-66.5132.2172.6-660000111.1
397P70.4Confident53.7Low117 Ų117148.1 Ų148.176%0.7680%0.796SS**PPolyproline II helixtrans-62.9139.5178.1-23.433.8000112.8
398P65.6Low53.5Low112 Ų112152 Ų15273%0.72780%0.795SS**PPolyproline II helixtrans-68142.4173.629.2-34.1000111
399R60.4Low52.9Low248 Ų248149.6 Ų149.694%0.93679%0.788SS**  trans-97.294.3167-101.4-176.9167.8164.1-3.1109.1
400D51.9Low52.4Low141 Ų141149.7 Ų149.775%0.75478%0.784SS**  trans-59.6141.2168.6-80.1-61.4000111.4
401R42.8Very low51.6Low244 Ų244150.4 Ų150.492%0.92178%0.784SS**  trans-133.459.3-173.2-162.3-173.6-172.1-156.32.5110.6
402T49.2Very low51Low126 Ų126146.7 Ų146.777%0.77378%0.778SS**  trans-102.4115.9-173.4-54.30000112.5
403T42.8Very low49.9Very low125 Ų125151.9 Ų151.977%0.76778%0.782SS**  trans-21140.8162.8-47.90000117.7
404T43.1Very low49Very low128 Ų128150.6 Ų150.679%0.78578%0.775SS**  trans-69.5163.717343.90000113.6
405P41.7Very low48Very low122 Ų122153.2 Ų153.279%0.79278%0.777SS**  -145.8140111.135.7-20.6000117.1
406S38.1Very low46.8Very low95 Ų95151.1 Ų151.166%0.66478%0.775SS**  trans43.7115.6141.3-162.90000122.3
407R38.8Very low45.9Very low248 Ų248149.5 Ų149.594%0.93677%0.774SS**  -150.7136.1118.9-143172.9-172.8-179.71.9112.4
408Y38.6Very low44.7Very low199 Ų199155.4 Ų155.478%0.7878%0.781SS**  trans-94.2-178.3179.6-78.9-82.1000110.7
409P43.8Very low43.8Very low106 Ų106155 Ų15569%0.68878%0.781SS**  cis-151.417620.347.2-27.1000121.1
410Q41Very low43.2Very low156 Ų156149.1 Ų149.173%0.72978%0.775SS**  trans68.1140.8161.3-45-146.67.200117.5
411H42.5Very low42.8Very low155 Ų155148.5 Ų148.572%0.71878%0.776SS**  cis-141153.834.7-92.9-98.6000115.6
412T43.2Very low43Very low118 Ų118143.9 Ų143.972%0.72477%0.77SS**  trans15.1143.9147.960.60000121.1
413R38.5Very low42.8Very low212 Ų212141.6 Ų141.680%0.876%0.759SS**  cis-166.8144.620.3-147.9175.4174.8-175.1-1.1111.3
414H44.4Very low42.9Very low150 Ų150142.9 Ų142.969%0.69476%0.76SS**  trans40.8146.2144.8-72.4-125.6000121.5
415E41.9Very low42.8Very low173 Ų173141.8 Ų141.881%0.80876%0.758SS**  cis-154.3-165.72.9-138.7170.9108.500113.1
416A44.4Very low42.6Very low97 Ų97141.4 Ų141.480%0.80276%0.758SS**  trans-61166.2-172.700000116.7
417G41Very low42.7Very low68 Ų68143.5 Ų143.570%0.70177%0.771SS**  cis149.7167.3-5.400000113.6
418R45.7Very low42.6Very low240 Ų240137 Ų13791%0.90676%0.763SS**  trans80.2107.7175.7-58.1178.3179-100.9-0.1118.6
419S45.8Very low42.7Very low104 Ų104132.3 Ų132.373%0.72776%0.76SS**  37.9152.4121.564.80000121.6
420P48.3Very low42.5Very low124 Ų124132.6 Ų132.681%0.80576%0.764SS**  cis-144.7-158.734.143-21.3000117
421V44.3Very low43Very low129 Ų129136.1 Ų136.178%0.78277%0.773SS**  trans-92.4144.7-174.7490000113
422D45.2Very low43.1Very low146 Ų146135.3 Ų135.378%0.78177%0.774SS**  trans-164.5153.4161-99.8-51.1000108.1
423S45.5Very low42.9Very low78 Ų78132.5 Ų132.555%0.54577%0.768SS.*  cis-154.9144.9-19-119.70000106.6
424L44.7Very low43.3Very low153 Ų153128.2 Ų128.280%0.80177%0.771SS**  47.9144.592.3-52.9-179.7000115.3
425S41.4Very low43.2Very low105 Ų105127.9 Ų127.973%0.73477%0.774SS**  cis-169.8170.2-21.7-1040000108.9
426S37.6Very low43.6Very low114 Ų114130 Ų13080%0.79778%0.775SS**  trans-72.2143.8172.354.50000113.6
427C39.8Very low43.6Very low138 Ų138132.9 Ų132.993%0.93277%0.772SS**  trans-161.3171.5143.9-125.30000113.2
428S38.2Very low43.8Very low111 Ų111136.1 Ų136.178%0.77677%0.773SS**  trans-128.8-167-177-170.60000110.5
429S40.1Very low43.9Very low101 Ų101133.9 Ų133.971%0.70677%0.772SS**  trans79.9109.3167.571.70000119.2
430S39.3Very low43.7Very low112 Ų112138.8 Ų138.878%0.78378%0.775SS**  38132.5128.460.90000122.4
431Y50.8Low43.5Very low231 Ų231140.6 Ų140.691%0.90678%0.778SS**  trans-138.8163.8132.3-165.4-105.8000110.8
432D45Very low43.3Very low138 Ų138141.7 Ų141.774%0.73877%0.774SS**  trans-100.3175.2-172.5-165.515.5000112.3
433G39.3Very low43.3Very low59 Ų59143.1 Ų143.161%0.60877%0.774SS**  trans-93.2155.9178.500000114.7
434S46.9Very low43.1Very low122 Ų122146.7 Ų146.785%0.85378%0.782SS**  trans-164.8151.7155.2-150.50000111.7
435D43Very low42.8Very low143 Ų143144.7 Ų144.777%0.76578%0.78SS**  trans-72.4156.7-174.9-56.1-98.6000115
436R50.3Low43.2Very low217 Ų217144.7 Ų144.782%0.81978%0.778SS**  -175.9121.8112.5-100.7-179171114.62.9116.1
437E43.7Very low43.5Very low158 Ų158147 Ų14774%0.73878%0.779SS**  trans38.2120130.5-59.7172.9102.800121.1
438D44.4Very low43.7Very low135 Ų135143.3 Ų143.372%0.72277%0.765SS**  trans34.3142.2142.3-80.8-95.9000124.2
439H49Very low44Very low193 Ų193145.6 Ų145.689%0.89477%0.768SS**  -165.6148.9106-101.469.9000112.3
440R40Very low44Very low207 Ų207147 Ų14778%0.78177%0.773SS**  trans-73.4157.8-175.4-68.7174.3167-179.5-5.8114.8
441N45.3Very low44.1Very low162 Ų162152.7 Ų152.787%0.86678%0.777SS**  -157.2152.3121.4-107.6-27.2000112.7
442E39.1Very low43.6Very low152 Ų152147.4 Ų147.471%0.7177%0.771SS**  trans-91.9175.8-176-64.8164.58400112.6
443F45Very low43.1Very low176 Ų176146 Ų14677%0.77277%0.772SS**  175.2113.2116.3-106.9-93.8000113.5
444H41.4Very low43.8Very low154 Ų154148.2 Ų148.271%0.71378%0.775SS**  trans56.9102.2146.7-71.6-123.9000123.3
445S38.8Very low43.6Very low110 Ų110149.4 Ų149.477%0.76977%0.772SS**  38162.796.4-51.90000122.6
446P49.8Very low43.7Very low105 Ų105148.8 Ų148.868%0.68277%0.765SS**  cis-149.4-177.3-41.843.5-25.2000117.1
447I45.3Very low43.4Very low162 Ų162148 Ų14883%0.83176%0.762SS**  trans77.4141.3144.4-80.2160.8000124
448G42.2Very low43.5Very low62 Ų62149 Ų14964%0.63977%0.766SS**  trans127.5107.3161.400000114.2
449L44.5Very low43.2Very low158 Ų158147.9 Ų147.983%0.82777%0.769SS**  64.4128.552.9-55.1172.4000112.8
450T41.9Very low43Very low132 Ų132144.4 Ų144.481%0.8176%0.764SS**  cis-160.1176.813.4-6.30000114.7
451R40.2Very low43.1Very low230 Ų230139.6 Ų139.687%0.86876%0.762SS**  trans-47176.6166.8-108.9-177.2140.5-159.6-5.3116.1
452P40.7Very low43.2Very low120 Ų120137.6 Ų137.678%0.77976%0.755SS**  cis-140-158.216.740.3-17.2000117.4
453S35.4Very low43.7Very low108 Ų108139.5 Ų139.576%0.75576%0.761SS**  trans-152.4168-179.8-179.70000107.6
454P52.1Low43.8Very low106 Ų106142.4 Ų142.469%0.68877%0.767SS**  cis-124.2-172.8143.3-28.1000114.1
455D43.1Very low44.4Very low147 Ų147143.5 Ų143.579%0.78678%0.775SS**  -177.3171.6114.4-126.1-48.9000115.6
456E45.5Very low45Very low131 Ų131148.9 Ų148.961%0.61278%0.778SS**  trans52.7111.9159.6-68.7-121.810400123.3
457R44.9Very low45.3Very low200 Ų200151.9 Ų151.976%0.75579%0.788SS**  trans85.5147.9130.3-69.7-172.8-166.2-123-8.2124.7
458E45.1Very low45.7Very low179 Ų179149.5 Ų149.584%0.83679%0.785SS**  trans75.9120.6154-139147.7135.800120.6
459S38.6Very low45.9Very low111 Ų111156 Ų15678%0.77680%0.799SS**  trans-117.6149165.5-63.80000108.2
460P45.1Very low46.6Very low120 Ų120151.6 Ų151.678%0.77979%0.791SS**  -145.7148.1104.335.9-21.3000116.4
461S41.5Very low47Very low107 Ų107157.7 Ų157.775%0.74880%0.8SS**  trans24.8130.1138.1-165.50000120.6
462V48.2Very low47.7Very low119 Ų119151.5 Ų151.572%0.72180%0.798SS**  177.6150.9115.7146.50000113.3
463K48.4Very low48.4Very low193 Ų193156.2 Ų156.284%0.83983%0.825SS**  trans58.981.7164.9-80.9162.2-174.4173.50119.9M465K463-M465 PolarHBondContact O-N 3.38Å
464R46.4Very low49.1Very low236 Ų236158.7 Ų158.789%0.89183%0.828SS**  trans-51.3117.1146.4177.3-168.3-61.4133.3-1.5111.8
465M55.3Low48.9Very low177 Ų177161.4 Ų161.487%0.87284%0.836SS**  trans-79.5143.7167.3-168.5162.375.500110.8K463K463-M465 PolarHBondContact O-N 3.38Å
466R50.8Low49.3Very low223 Ų223162.2 Ų162.284%0.84284%0.839SS**  trans-126.4110.8-172.5-167.8179.8-163.1149.51.9110.3
467L56.7Low49.5Very low169 Ų169164.1 Ų164.189%0.88585%0.852SS**  trans-83.5123.9166.8-73.4166.4000108.8
468S52.4Low49.8Very low111 Ų111161.8 Ų161.878%0.77686%0.858SS**  trans-104.5149.2174.149.20000111.1
469E46.6Very low50.1Low199 Ų199160.7 Ų160.793%0.9386%0.859SS**  trans-74.3158.4-174.9-64.7161.6109.800113.1
470G60.5Low50.9Low65 Ų65164.2 Ų164.267%0.6787%0.865SS**  trans-153.392.1172.600000111.8
471W48.7Very low51.4Low260 Ų260167.6 Ų167.699%0.98587%0.872SS**  trans-156.695.6172.8-87.2100.3000110.2
472A56.7Low52.2Low100 Ų100172.7 Ų172.783%0.82688%0.882SS**  trans-177.690.7158.300000113.2
473T55.5Low52.6Low220 Ų220177.5 Ų177.5100%1.3590%0.897SS**  trans-156.80142.547.70000107.5

Retrieved 473 of 473 residues in 122.2 ms (Link to these results)