RAB3A_MACFA Loading...

Ras-related protein Rab-3A

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes (By similarity). Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different sets of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion (By similarity). RAB3A plays a central role in regulated exocytosis and secretion. Controls the recruitment, tethering and docking of secretory vesicles to the plasma membrane (By similarity). Upon stimulation, switches to its active GTP-bound form, cycles to vesicles and recruits effectors such as RIMS1, RIMS2, Rabphilin-3A/RPH3A, RPH3AL or SYTL4 to help the docking of vesicules onto the plasma membrane (By similarity). Upon GTP hydrolysis by GTPase-activating protein, dissociates from the vesicle membrane allowing the exocytosis to proceed (By similarity). Stimulates insulin secretion through interaction with RIMS2 or RPH3AL effectors in pancreatic beta cells (By similarity). Regulates calcium-dependent lysosome exocytosis and plasma membrane repair (PMR) via the interaction with 2 effectors, SYTL4 and myosin-9/MYH9 (By similarity). Acts as a positive regulator of acrosome content secretion in sperm cells by interacting with RIMS1 (By similarity). Also plays a role in the regulation of dopamine release by interacting with synaptotagmin I/SYT (By similarity).

AlphaFold DB , UniProt , Accession Q4R4R9, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene RAB3A, Length 220 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.2Very low43Very low250 Ų250151.5 Ų151.5100%1.23285%0.853SS**  0121.20-71.9-177.7177.800107.3
2A35.3Very low43.3Very low102 Ų102155.1 Ų155.184%0.84385%0.852SS**  trans-83.6155.6174.100000110.4
3S36.8Very low43.7Very low124 Ų124156.7 Ų156.787%0.86785%0.85SS**  trans134.2126.9165.8176.70000108.9
4A46.5Very low44.1Very low87 Ų87151.8 Ų151.872%0.71983%0.833SS**  cis-151.11393.600000107.9D6A4-D6 PolarHBondContact O-N 3.46Å
5T46.1Very low44.8Very low138 Ų138145.9 Ų145.985%0.84781%0.808SS**  trans-71.7115.1168.542.40000109.3S7T5-S7 PolarHBondContact O-N 2.86Å; T5-S7 VanDerWaalsContact O-N 3.14Å
6D43.6Very low45.8Very low134 Ų134142.7 Ų142.772%0.71779%0.789SS**  trans-76.294.1177.2-165.22.3000110.2A4 R8A4-D6 PolarHBondContact O-N 3.46Å; D6-R8 VanDerWaalsContact C-N 3.26Å; D6-R8 PolarHBondContact O-N 2.98Å; D6-R8 VanDerWaalsContact O-N 3.15Å; D6-R8 IonicContact OD1-NE 2.76Å
7S44.6Very low47.2Very low114 Ų114143.6 Ų143.680%0.79779%0.786SS**  trans-85.955.8178.753.20000112.1T5T5-S7 PolarHBondContact O-N 2.86Å; T5-S7 VanDerWaalsContact O-N 3.14Å
8R44.9Very low49.2Very low216 Ų216142.9 Ų142.982%0.81578%0.781SS**  trans-117.714.7176-67.5-164.5-146.2-162.24.5115.7D6D6-R8 VanDerWaalsContact C-N 3.26Å; D6-R8 PolarHBondContact O-N 2.98Å; D6-R8 VanDerWaalsContact O-N 3.15Å; D6-R8 IonicContact OD1-NE 2.76Å
9Y45.2Very low51.3Low253 Ų253139.1 Ų139.199%0.99276%0.756SS**SBendtrans-107.984.9169.2-112.2-93.2000109.3
10G43.5Very low53.3Low70 Ų70135.9 Ų135.972%0.72274%0.738SS**SBendtrans-172.9-5.1177.700000118
11Q46.9Very low55.3Low178 Ų178133.9 Ų133.983%0.83272%0.721SS**SBendtrans-116.810.1-174.8-87.6-176-100116
12K45.7Very low57.9Low195 Ų195126 Ų12685%0.84868%0.682SS**SBendtrans-96.5-12.4179.5-90.4-175.9175.1177.90116.1
13E48.4Very low60.8Low176 Ų176121.2 Ų121.282%0.82264%0.642SS**SBendtrans-92.5-29.4-176.7-69.3-167.2158.300114.3S15E13-S15 PolarHBondContact O-N 3.05Å
14S49.6Very low63.7Low88 Ų88117 Ų11762%0.61561%0.608SS**SBendtrans-75-24.7-176.849.60000113.7D16S14-D16 VanDerWaalsContact C-N 3.29Å; S14-D16 PolarHBondContact O-N 3.38Å
15S55.4Low66.1Low64 Ų64112.8 Ų112.845%0.44857%0.574SS.*G310 helixtrans-67.6-31.7179.562.10000111.4E13 Q17 N18 R70E13-S15 PolarHBondContact O-N 3.05Å; S15-Q17 VanDerWaalsContact C-N 3.29Å; S15-Q17 PolarHBondContact O-N 3.45Å; S15-N18 PolarHBondContact O-N 3.22Å; S15-R70 PolarHBondContact O-NH1 3.08Å
16D60.4Low68.5Low94 Ų94106.2 Ų106.250%0.50353%0.533SS..G310 helixtrans-74.5-17.2-171.9-120.92.7000114.1S14 R70 K72S14-D16 VanDerWaalsContact C-N 3.29Å; S14-D16 PolarHBondContact O-N 3.38Å; D16-R70 IonicContact OD1-NH2 2.68Å; D16-R70 PolarHBondContact OD1-NH2 3.03Å; D16-K72 WeakPolarHBondContact O-CE 3.42Å; D16-K72 PolarHBondContact O-NZ 2.84Å
17Q69.3Low71.1Confident159 Ų15999.9 Ų99.974%0.74350%0.499SS*.G310 helixtrans-79.7-21.3175.8-66.1-167.4400113.7S15 F19S15-Q17 VanDerWaalsContact C-N 3.29Å; S15-Q17 PolarHBondContact O-N 3.45Å; Q17-F19 VanDerWaalsContact O-CD1 3.25Å; Q17-F19 WeakPolarHBondContact O-CD1 3.47Å; Q17-F19 PolarHBondContact O-N 3.32Å
18N83.6Confident73.6Confident131 Ų13194.4 Ų94.470%0.70146%0.461SS*.  trans-86.7104.3-173-134.622.6000110.5S15 R70S15-N18 PolarHBondContact O-N 3.22Å; N18-R70 VanDerWaalsContact O-CD 3.29Å; N18-R70 WeakPolarHBondContact O-CD 3.47Å; N18-R70 PolarHBondContact O-NH1 3.02Å
19F88.4Confident76Confident70 Ų7084.1 Ų84.131%0.30742%0.423SS..  trans-137.4149.5173.161.2-90.1000109.7Q17 Y21 M22 R70 K72Q17-F19 VanDerWaalsContact O-CD1 3.25Å; Q17-F19 WeakPolarHBondContact O-CD1 3.47Å; Q17-F19 PolarHBondContact O-N 3.32Å; F19-Y21 VanDerWaalsContact CD2-O 3.3Å; F19-Y21 WeakPolarHBondContact CD2-O 3.24Å; F19-M22 HydrophobicContact CD2-CB 4.09Å; F19-M22 HydrophobicContact CE2-CB 3.5Å; F19-M22 HydrophobicContact CE2-CE 4.25Å; F19-M22 HydrophobicContact CE2-SD 4.49Å; F19-M22 HydrophobicContact CZ-CB 4.16Å; F19-M22 HydrophobicContact CZ-CE 3.97Å; F19-M22 HydrophobicContact CZ-SD 4.21Å; F19-R70 HydrophobicContact CB-CG 4.49Å; F19-K72 HydrophobicContact CB-CD 4.17Å; F19-K72 HydrophobicContact CB-CG 3.88Å; F19-K72 HydrophobicContact CD1-CD 3.47Å; F19-K72 VanDerWaalsContact CD1-CD 3.47Å; F19-K72 VanDerWaalsContact CD1-CE 3.43Å; F19-K72 HydrophobicContact CD1-CG 4.12Å; F19-K72 HydrophobicContact CE1-CD 3.93Å; F19-K72 HydrophobicContact CG-CB 4.47Å; F19-K72 HydrophobicContact CG-CD 3.79Å; F19-K72 HydrophobicContact CG-CG 3.91Å
20D92.6Very high78.3Confident75 Ų7573.6 Ų73.640%0.40138%0.383SS..SBendtrans-79.5-42.3178.5-63-94.8000111.3K69 R70D20-K69 HydrophobicContact CB-CB 4.17Å; D20-K69 HydrophobicContact CB-CD 3.81Å; D20-K69 VanDerWaalsContact CG-CD 3.41Å; D20-K69 VanDerWaalsContact OD1-CD 3.26Å; D20-K69 WeakPolarHBondContact OD1-CD 3.38Å; D20-K69 IonicContact OD1-NZ 3.65Å; D20-K69 PolarHBondContact OD1-NZ 2.76Å; D20-K69 VanDerWaalsContact OD1-NZ 3.09Å; D20-K69 WeakPolarHBondContact OD2-CA 3.39Å; D20-R70 PolarHBondContact N-O 3.38Å; D20-R70 PolarHBondContact OD2-N 3.05Å
21Y94.5Very high80.7Confident93 Ų9371.4 Ų71.437%0.36536%0.357SS..EExtended strand (participates in β ladder)trans-138.4151.1-175.6-59.1-66.2000112.2F19 F23 K69 R70 I71 K72 M187F19-Y21 VanDerWaalsContact CD2-O 3.3Å; F19-Y21 WeakPolarHBondContact CD2-O 3.24Å; Y21-F23 HydrophobicContact CG-CE1 4.16Å; Y21-F23 HydrophobicContact CG-CZ 4.37Å; Y21-K69 HydrophobicContact CD2-CB 4.19Å; Y21-K69 HydrophobicContact CD2-CG 4.46Å; Y21-K69 HydrophobicContact CE2-CB 4.18Å; Y21-K69 HydrophobicContact CE2-CD 4.09Å; Y21-K69 HydrophobicContact CE2-CG 3.94Å; Y21-R70 PolarHBondContact N-O 2.87Å; Y21-I71 HydrophobicContact CD2-CG1 4.29Å; Y21-I71 CarbonylContact O-C 3.58Å; Y21-I71 WeakPolarHBondContact O-CA 3.13Å; Y21-K72 PolarHBondContact O-N 3.2Å; Y21-M187 HydrophobicContact CD1-CE 4.39Å
22M94.9Very high82.9Confident86 Ų8665.2 Ų65.242%0.42433%0.333SS..EExtended strand (participates in β ladder)trans-130.3117.8173.9175.3165.752.600109.7F19 K72 Q74F19-M22 HydrophobicContact CD2-CB 4.09Å; F19-M22 HydrophobicContact CE2-CB 3.5Å; F19-M22 HydrophobicContact CE2-CE 4.25Å; F19-M22 HydrophobicContact CE2-SD 4.49Å; F19-M22 HydrophobicContact CZ-CB 4.16Å; F19-M22 HydrophobicContact CZ-CE 3.97Å; F19-M22 HydrophobicContact CZ-SD 4.21Å; M22-K72 CarbonylContact C-O 3.5Å; M22-K72 VanDerWaalsContact CA-O 3.24Å; M22-K72 WeakPolarHBondContact CA-O 3.47Å; M22-K72 HydrophobicContact CB-CB 4.45Å; M22-K72 HydrophobicContact CG-CB 4.46Å; M22-Q74 HydrophobicContact CG-CG 3.97Å; M22-Q74 VanDerWaalsContact SD-CD 3.5Å; M22-Q74 HydrophobicContact SD-CG 4.04Å; M22-Q74 PolarHBondContact SD-NE2 3.08Å; M22-Q74 VanDerWaalsContact SD-NE2 3.36Å
23F96.5Very high85.3Confident1 Ų156 Ų560%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-109.6123.8-176.4-61.8-12.7000111.1Y21 I71 K72 L73 Q74 M96 V180 I183 M187Y21-F23 HydrophobicContact CG-CE1 4.16Å; Y21-F23 HydrophobicContact CG-CZ 4.37Å; F23-I71 HydrophobicContact CD1-CG2 4.4Å; F23-I71 HydrophobicContact CD2-CG2 3.71Å; F23-I71 HydrophobicContact CE1-CG2 4.46Å; F23-I71 HydrophobicContact CE2-CD1 4.1Å; F23-I71 HydrophobicContact CE2-CG2 3.8Å; F23-I71 HydrophobicContact CG-CG2 4.01Å; F23-I71 HydrophobicContact CZ-CD1 4.32Å; F23-I71 HydrophobicContact CZ-CG2 4.15Å; F23-K72 PolarHBondContact N-O 3.09Å; F23-L73 HydrophobicContact CB-CD2 4.01Å; F23-L73 HydrophobicContact CD2-CD2 4.11Å; F23-L73 HydrophobicContact CG-CD2 4.43Å; F23-Q74 PolarHBondContact O-N 3.26Å; F23-M96 HydrophobicContact CB-SD 4.09Å; F23-M96 HydrophobicContact CD1-CE 3.56Å; F23-M96 HydrophobicContact CD1-SD 3.53Å; F23-M96 VanDerWaalsContact CD1-SD 3.53Å; F23-M96 HydrophobicContact CE1-CE 3.8Å; F23-M96 HydrophobicContact CE1-SD 4.35Å; F23-M96 HydrophobicContact CG-CE 4.38Å; F23-M96 HydrophobicContact CG-SD 4.1Å; F23-V180 HydrophobicContact CD2-CG1 4.3Å; F23-V180 HydrophobicContact CD2-CG2 4.29Å; F23-V180 HydrophobicContact CE2-CG1 3.94Å; F23-I183 HydrophobicContact CD1-CG2 4.12Å; F23-I183 HydrophobicContact CD2-CB 4.27Å; F23-I183 HydrophobicContact CD2-CD1 4.25Å; F23-I183 HydrophobicContact CD2-CG2 3.85Å; F23-I183 HydrophobicContact CE1-CG2 4.02Å; F23-I183 HydrophobicContact CE2-CB 4.13Å; F23-I183 HydrophobicContact CE2-CG2 3.71Å; F23-I183 HydrophobicContact CG-CG2 4.07Å; F23-I183 HydrophobicContact CZ-CG2 3.84Å; F23-M187 HydrophobicContact CE1-CE 3.31Å; F23-M187 HydrophobicContact CE1-SD 3.95Å; F23-M187 HydrophobicContact CE2-CE 4.44Å; F23-M187 HydrophobicContact CZ-CE 3.26Å; F23-M187 HydrophobicContact CZ-SD 4.44Å
24K96.2Very high87.6Confident34 Ų3448.1 Ų48.115%0.14826%0.26CS..EExtended strand (participates in β ladder)trans-85.4114.9172.4-169.4-173.9-172.3-1670109.4L26 Y91 R93 G94 A95 M96 G97K24-L26 HydrophobicContact CD-CD1 4.3Å; K24-L26 HydrophobicContact CG-CD1 4.01Å; K24-Y91 PolarHBondContact NZ-O 2.96Å; K24-R93 PolarHBondContact NZ-O 2.98Å; K24-G94 WeakPolarHBondContact CB-O 3.42Å; K24-G94 VanDerWaalsContact CD-O 3.26Å; K24-G94 WeakPolarHBondContact CD-O 3.35Å; K24-A95 HydrophobicContact CD-CB 4.47Å; K24-A95 CarbonylContact O-C 3.57Å; K24-M96 PolarHBondContact O-N 3.31Å; K24-G97 PolarHBondContact O-N 2.89Å
25I97.8Very high89.9Confident0 Ų044.4 Ų44.40%023%0.233CC..EExtended strand (participates in β ladder)trans-118132.7179.6-63.6171.3000108.8L73 Q74 I75 W76 G97 I99 L179 V180 I183I25-L73 HydrophobicContact CD1-CD1 4.33Å; I25-L73 HydrophobicContact CD1-CD2 4.07Å; I25-Q74 PolarHBondContact N-O 3.26Å; I25-I75 CarbonylContact O-C 3.49Å; I25-I75 WeakPolarHBondContact O-CA 3.46Å; I25-W76 PolarHBondContact O-N 3.02Å; I25-G97 CarbonylContact C-O 3.59Å; I25-G97 VanDerWaalsContact CA-O 3.3Å; I25-G97 WeakPolarHBondContact CA-O 3.47Å; I25-I99 HydrophobicContact CG2-CD1 4.41Å; I25-I99 HydrophobicContact CG2-CG1 4.38Å; I25-L179 HydrophobicContact CD1-CD2 4.1Å; I25-L179 HydrophobicContact CG1-CD2 4.16Å; I25-L179 HydrophobicContact CG2-CD2 3.69Å; I25-V180 HydrophobicContact CD1-CG2 4.48Å; I25-I183 HydrophobicContact CG1-CD1 4.44Å
26L97.2Very high91.8Very high0 Ų043 Ų430%022%0.221CC..EExtended strand (participates in β ladder)trans-110.5136.7173.7-84.863.5000110.1K24 I28 W76 Y92 A95 G97 F98 I99K24-L26 HydrophobicContact CD-CD1 4.3Å; K24-L26 HydrophobicContact CG-CD1 4.01Å; L26-I28 HydrophobicContact CB-CG2 4.2Å; L26-W76 HydrophobicContact CD1-CB 4.04Å; L26-W76 HydrophobicContact CD1-CG 4.11Å; L26-W76 HydrophobicContact CG-CB 3.95Å; L26-Y92 HydrophobicContact CD2-CD1 3.5Å; L26-Y92 HydrophobicContact CD2-CE1 3.9Å; L26-Y92 HydrophobicContact CD2-CG 4.5Å; L26-A95 HydrophobicContact CD1-CB 3.52Å; L26-A95 HydrophobicContact CD2-CB 4.26Å; L26-A95 HydrophobicContact CG-CB 4.36Å; L26-G97 PolarHBondContact N-O 2.95Å; L26-F98 HydrophobicContact CB-CD1 3.8Å; L26-F98 HydrophobicContact CB-CE1 3.92Å; L26-F98 HydrophobicContact CD2-CE1 3.8Å; L26-F98 HydrophobicContact CD2-CZ 4.47Å; L26-F98 HydrophobicContact CG-CE1 4.42Å; L26-F98 CarbonylContact O-C 3.59Å; L26-F98 WeakPolarHBondContact O-CA 3.29Å; L26-I99 PolarHBondContact O-N 3.05Å
27I97.7Very high93.5Very high0 Ų040.1 Ų40.10%021%0.208CC..EExtended strand (participates in β ladder)trans-102.3120.3167.9-45.5177.9000107.5K35 L39 I75 W76 T78 I99 M101 F176I27-K35 HydrophobicContact CB-CB 4.45Å; I27-K35 HydrophobicContact CG2-CB 3.7Å; I27-K35 HydrophobicContact CG2-CD 4.11Å; I27-K35 HydrophobicContact CG2-CG 3.83Å; I27-L39 HydrophobicContact CD1-CB 3.91Å; I27-I75 HydrophobicContact CD1-CG2 3.87Å; I27-I75 HydrophobicContact CG1-CG2 3.96Å; I27-W76 PolarHBondContact N-O 3.25Å; I27-T78 PolarHBondContact O-N 2.94Å; I27-T78 PolarHBondContact O-OG1 3.35Å; I27-I99 WeakPolarHBondContact CA-O 3.49Å; I27-I99 HydrophobicContact CG1-CB 4.42Å; I27-I99 HydrophobicContact CG1-CD1 4.49Å; I27-I99 HydrophobicContact CG2-CB 4.26Å; I27-I99 HydrophobicContact CG2-CG2 4.25Å; I27-M101 HydrophobicContact CG2-CE 4.44Å; I27-F176 HydrophobicContact CD1-CE1 4.46Å; I27-F176 HydrophobicContact CD1-CZ 3.9Å
28I96Very high94.9Very high0 Ų032.5 Ų32.50%017%0.173CC..EExtended strand (participates in β ladder)trans-132.7166-174.162.9162.9000111.3L26 K35 T78 T88 Y92 F98 I99 L100 M101 W116 I120L26-I28 HydrophobicContact CB-CG2 4.2Å; I28-K35 VanDerWaalsContact C-CD 3.43Å; I28-T78 HydrophobicContact CG2-CG2 4.1Å; I28-T88 HydrophobicContact CG2-CG2 4.37Å; I28-Y92 WeakPolarHBondContact CD1-OH 3.3Å; I28-Y92 HydrophobicContact CG2-CE1 3.96Å; I28-F98 HydrophobicContact CD1-CD1 3.99Å; I28-F98 HydrophobicContact CG1-CD1 4.36Å; I28-F98 HydrophobicContact CG2-CD1 4.42Å; I28-I99 PolarHBondContact N-O 3.24Å; I28-L100 HydrophobicContact CD1-CD1 4.01Å; I28-L100 HydrophobicContact CG1-CB 4.26Å; I28-L100 HydrophobicContact CG1-CD1 3.87Å; I28-M101 PolarHBondContact O-N 2.97Å; I28-W116 HydrophobicContact CB-CE3 4.36Å; I28-W116 HydrophobicContact CD1-CB 4.4Å; I28-W116 HydrophobicContact CD1-CE3 4.21Å; I28-I120 HydrophobicContact CD1-CD1 3.62Å; I28-I120 HydrophobicContact CD1-CG1 3.68Å
29G96Very high95.5Very high0 Ų026.4 Ų26.40%014%0.14CC..  trans134.3171.7-174.400000111.7K35 G80 M101G29-K35 PolarHBondContact O-NZ 2.84Å; G29-G80 VanDerWaalsContact O-CA 3.24Å; G29-G80 WeakPolarHBondContact O-CA 3.43Å; G29-M101 WeakPolarHBondContact CA-O 3.31Å
30N94.8Very high95.8Very high32 Ų3226.5 Ų26.517%0.17114%0.141CC..SBendtrans-57.7164.5-176.7-78.318.6000113.1V33 K35 A112 W116N30-V33 HydrophobicContact CB-CG1 3.99Å; N30-V33 VanDerWaalsContact O-CG2 3.31Å; N30-V33 WeakPolarHBondContact O-CG2 3.1Å; N30-K35 PolarHBondContact O-NZ 2.87Å; N30-A112 VanDerWaalsContact OD1-CB 3.3Å; N30-A112 WeakPolarHBondContact OD1-CB 3.24Å; N30-W116 PolarHBondContact OD1-NE1 2.85Å
31S92.9Very high96.1Very high24 Ų2424.8 Ų24.817%0.16813%0.129CC..THydrogen-bonded Turntrans-58.1151.3171.2-167.30000110.6V33 G80 Q81S31-V33 PolarHBondContact O-N 3.32Å; S31-G80 PolarHBondContact N-O 2.98Å; S31-Q81 PolarHBondContact OG-NE2 2.94Å
32S93.4Very high96.2Very high47 Ų4721.3 Ų21.333%0.32912%0.115SC..THydrogen-bonded Turntrans64.91.4175.378.50000118.5G34 K136S32-G34 PolarHBondContact O-N 3.09Å; S32-K136 WeakPolarHBondContact O-CE 3.46Å; S32-K136 PolarHBondContact O-NZ 3.47Å
33V96.6Very high96.2Very high1 Ų117.9 Ų17.91%0.00610%0.1CC..SBendtrans-69.9-13.3177-54.40000114.1N30 S31 K35 M101 D103 N135N30-V33 HydrophobicContact CB-CG1 3.99Å; N30-V33 VanDerWaalsContact O-CG2 3.31Å; N30-V33 WeakPolarHBondContact O-CG2 3.1Å; S31-V33 PolarHBondContact O-N 3.32Å; V33-K35 HydrophobicContact CG2-CD 4.29Å; V33-K35 HydrophobicContact CG2-CG 3.63Å; V33-M101 HydrophobicContact CB-CG 4.4Å; V33-M101 HydrophobicContact CG2-CB 4Å; V33-M101 HydrophobicContact CG2-CG 3.95Å; V33-M101 HydrophobicContact CG2-SD 4.25Å; V33-D103 HydrophobicContact CB-CB 4.15Å; V33-D103 HydrophobicContact CG1-CB 4.1Å; V33-N135 PolarHBondContact O-ND2 3.29Å
34G96.7Very high96.1Very high12 Ų1221.8 Ų21.812%0.12412%0.121CC..SBendtrans104.515.9173.900000116.2S32 T36 S37 F38S32-G34 PolarHBondContact O-N 3.09Å; G34-T36 PolarHBondContact O-N 2.74Å; G34-S37 PolarHBondContact O-N 3.44Å; G34-F38 WeakPolarHBondContact O-CB 3.42Å; G34-F38 PolarHBondContact O-N 3.19Å
35K96.1Very high96Very high10 Ų1025.4 Ų25.44%0.04314%0.142CC..Hα-helixtrans-49.6-52.3179.7-55.8-172.3-62.7-74.80113.7I27 I28 G29 N30 V33 F38 L39 D77 T78 M101I27-K35 HydrophobicContact CB-CB 4.45Å; I27-K35 HydrophobicContact CG2-CB 3.7Å; I27-K35 HydrophobicContact CG2-CD 4.11Å; I27-K35 HydrophobicContact CG2-CG 3.83Å; I28-K35 VanDerWaalsContact C-CD 3.43Å; G29-K35 PolarHBondContact O-NZ 2.84Å; N30-K35 PolarHBondContact O-NZ 2.87Å; V33-K35 HydrophobicContact CG2-CD 4.29Å; V33-K35 HydrophobicContact CG2-CG 3.63Å; K35-F38 WeakPolarHBondContact O-CB 3.41Å; K35-F38 PolarHBondContact O-N 3.34Å; K35-L39 PolarHBondContact O-N 3.17Å; K35-D77 VanDerWaalsContact CB-OD1 3.24Å; K35-D77 WeakPolarHBondContact CB-OD1 3.44Å; K35-T78 WeakPolarHBondContact CE-O 3.41Å; K35-M101 HydrophobicContact CG-CB 4.41Å; K35-M101 HydrophobicContact CG-SD 4.31Å
36T95.6Very high95.8Very high33 Ų3327.6 Ų27.620%0.20216%0.158CC..Hα-helixtrans-63.3-46179.4-47.90000112G34 F38 L39 F40 T54 D77G34-T36 PolarHBondContact O-N 2.74Å; T36-F38 VanDerWaalsContact C-N 3.26Å; T36-F38 PolarHBondContact O-N 3.23Å; T36-L39 PolarHBondContact O-N 3.12Å; T36-F40 HydrophobicContact CG2-CD2 3.8Å; T36-F40 HydrophobicContact CG2-CE2 3.49Å; T36-F40 VanDerWaalsContact CG2-CE2 3.49Å; T36-F40 HydrophobicContact CG2-CZ 4.46Å; T36-F40 WeakPolarHBondContact O-CD2 3.2Å; T36-F40 PolarHBondContact O-N 3.46Å; T36-T54 PolarHBondContact OG1-OG1 3Å; T36-D77 WeakPolarHBondContact CA-OD2 3.43Å; T36-D77 VanDerWaalsContact CB-OD2 3.24Å; T36-D77 WeakPolarHBondContact CB-OD2 3.45Å; T36-D77 WeakPolarHBondContact CG2-OD2 3.49Å; T36-D77 PolarHBondContact OG1-OD2 3.25Å
37S96.6Very high95.7Very high34 Ų3431 Ų3124%0.23817%0.173CC..Hα-helixtrans-62.3-35.8176-51.80000111.9G34 F40 R41G34-S37 PolarHBondContact O-N 3.44Å; S37-F40 PolarHBondContact O-N 3.37Å; S37-R41 WeakPolarHBondContact O-CB 3.34Å; S37-R41 PolarHBondContact O-N 3.19Å
38F97.9Very high95.3Very high0 Ų035.3 Ų35.30%020%0.199CC..Hα-helixtrans-66.6-43.6176.7-161.9-98.3000111.6G34 K35 T36 R41 Y42 I99 M101 A164 A166 V172 T175 F176G34-F38 WeakPolarHBondContact O-CB 3.42Å; G34-F38 PolarHBondContact O-N 3.19Å; K35-F38 WeakPolarHBondContact O-CB 3.41Å; K35-F38 PolarHBondContact O-N 3.34Å; T36-F38 VanDerWaalsContact C-N 3.26Å; T36-F38 PolarHBondContact O-N 3.23Å; F38-R41 PolarHBondContact O-N 3.33Å; F38-Y42 WeakPolarHBondContact O-CB 3.3Å; F38-Y42 PolarHBondContact O-N 3.41Å; F38-I99 HydrophobicContact CE1-CD1 4.44Å; F38-M101 HydrophobicContact CB-CE 3.77Å; F38-M101 HydrophobicContact CB-SD 4.43Å; F38-M101 HydrophobicContact CD1-CE 3.7Å; F38-M101 HydrophobicContact CD2-CE 3.68Å; F38-M101 HydrophobicContact CE1-CE 4.13Å; F38-M101 HydrophobicContact CE2-CE 4.12Å; F38-M101 HydrophobicContact CG-CE 3.45Å; F38-M101 VanDerWaalsContact CG-CE 3.45Å; F38-M101 HydrophobicContact CZ-CE 4.32Å; F38-A164 HydrophobicContact CE2-CB 3.62Å; F38-A164 HydrophobicContact CZ-CB 4.23Å; F38-A166 HydrophobicContact CB-CB 4.34Å; F38-A166 HydrophobicContact CD2-CB 4.2Å; F38-V172 HydrophobicContact CD1-CG1 4.37Å; F38-V172 HydrophobicContact CD2-CG1 4.32Å; F38-V172 HydrophobicContact CD2-CG2 4.03Å; F38-V172 HydrophobicContact CE1-CG1 4.19Å; F38-V172 HydrophobicContact CE2-CB 4.11Å; F38-V172 HydrophobicContact CE2-CG1 4.13Å; F38-V172 HydrophobicContact CE2-CG2 3.69Å; F38-V172 HydrophobicContact CG-CG1 4.44Å; F38-V172 HydrophobicContact CZ-CB 4.22Å; F38-V172 HydrophobicContact CZ-CG1 4.07Å; F38-V172 HydrophobicContact CZ-CG2 4.29Å; F38-T175 HydrophobicContact CE1-CG2 4.27Å; F38-T175 HydrophobicContact CZ-CG2 4.23Å; F38-F176 AromaticContact CD1-CE2 3.57Å; F38-F176 HydrophobicContact CD1-CE2 3.57Å; F38-F176 HydrophobicContact CD1-CZ 4.08Å; F38-F176 HydrophobicContact CE1-CD2 4.02Å; F38-F176 AromaticContact CE1-CE2 3.42Å; F38-F176 HydrophobicContact CE1-CE2 3.42Å; F38-F176 VanDerWaalsContact CE1-CE2 3.42Å; F38-F176 HydrophobicContact CE1-CZ 4.19Å
39L97Very high94.9Very high2 Ų240.9 Ų40.91%0.0124%0.235CC..Hα-helixtrans-61.9-47.3173.2177.655.7000111.6I27 K35 T36 R41 Y42 A43 K60 I75 D77I27-L39 HydrophobicContact CD1-CB 3.91Å; K35-L39 PolarHBondContact O-N 3.17Å; T36-L39 PolarHBondContact O-N 3.12Å; L39-R41 PolarHBondContact O-N 2.91Å; L39-Y42 PolarHBondContact O-N 2.83Å; L39-A43 HydrophobicContact CD1-CB 4.27Å; L39-A43 WeakPolarHBondContact O-CB 3.39Å; L39-A43 PolarHBondContact O-N 2.92Å; L39-K60 HydrophobicContact CD1-CB 4.33Å; L39-K60 HydrophobicContact CD1-CD 4.4Å; L39-K60 HydrophobicContact CD2-CB 4.11Å; L39-K60 HydrophobicContact CD2-CD 4.48Å; L39-K60 HydrophobicContact CG-CD 4.32Å; L39-I75 HydrophobicContact CD1-CB 4.01Å; L39-I75 HydrophobicContact CD1-CD1 3.91Å; L39-I75 HydrophobicContact CD1-CG2 3.69Å; L39-I75 HydrophobicContact CD2-CG2 4.42Å; L39-D77 HydrophobicContact CD2-CB 3.72Å
40F95.6Very high94.3Very high73 Ų7344.1 Ų44.132%0.3226%0.262SS..Hα-helixtrans-63.7-40.2179-78.6-49.2000112.6T36 S37 Y42 A43 D44 D45 S46T36-F40 HydrophobicContact CG2-CD2 3.8Å; T36-F40 HydrophobicContact CG2-CE2 3.49Å; T36-F40 VanDerWaalsContact CG2-CE2 3.49Å; T36-F40 HydrophobicContact CG2-CZ 4.46Å; T36-F40 WeakPolarHBondContact O-CD2 3.2Å; T36-F40 PolarHBondContact O-N 3.46Å; S37-F40 PolarHBondContact O-N 3.37Å; F40-Y42 PolarHBondContact O-N 3.09Å; F40-A43 PolarHBondContact O-N 3.2Å; F40-D44 WeakPolarHBondContact CD1-OD2 3.26Å; F40-D44 CarbonylContact O-C 3.59Å; F40-D44 WeakPolarHBondContact O-CA 3.46Å; F40-D44 PolarHBondContact O-N 3.4Å; F40-D45 PolarHBondContact O-N 2.63Å; F40-S46 CarbonylContact C-O 3.56Å; F40-S46 PolarHBondContact O-N 3.47Å
41R97.3Very high93.8Very high39 Ų3948.7 Ų48.715%0.14728%0.281CS..Hα-helixtrans-61-46.2173.8175.856.973.7-167.43.9111.1S37 F38 L39 D45 S46 F47 A166 K167 N169 V172S37-R41 WeakPolarHBondContact O-CB 3.34Å; S37-R41 PolarHBondContact O-N 3.19Å; F38-R41 PolarHBondContact O-N 3.33Å; L39-R41 PolarHBondContact O-N 2.91Å; R41-D45 IonicContact CZ-OD1 3.48Å; R41-D45 VanDerWaalsContact NH1-C 3.29Å; R41-D45 PolarHBondContact NH1-O 3.29Å; R41-D45 IonicContact NH1-OD1 3.28Å; R41-D45 PolarHBondContact NH1-OD1 3.21Å; R41-D45 VanDerWaalsContact O-CA 3.24Å; R41-D45 WeakPolarHBondContact O-CA 3.41Å; R41-D45 PolarHBondContact O-N 3.22Å; R41-D45 VanDerWaalsContact O-N 3.15Å; R41-S46 VanDerWaalsContact CA-O 3.29Å; R41-S46 WeakPolarHBondContact CA-O 3.15Å; R41-S46 PolarHBondContact N-O 2.89Å; R41-S46 VanDerWaalsContact N-O 3.15Å; R41-F47 VanDerWaalsContact NH2-CB 3.3Å; R41-A166 WeakPolarHBondContact CG-O 3.25Å; R41-A166 PolarHBondContact NE-O 2.88Å; R41-K167 PolarHBondContact NH2-O 2.64Å; R41-N169 WeakPolarHBondContact CD-OD1 3.24Å; R41-N169 HydrophobicContact CG-CB 4.31Å; R41-N169 WeakPolarHBondContact CG-OD1 3.29Å; R41-V172 HydrophobicContact CB-CG1 4.26Å; R41-V172 HydrophobicContact CG-CB 4.19Å; R41-V172 HydrophobicContact CG-CG1 3.95Å; R41-V172 HydrophobicContact CG-CG2 3.88Å
42Y97.8Very high93.4Very high19 Ų1953.1 Ų53.18%0.07531%0.306CS..Hα-helixtrans-66.5-44.9179.2177.5-116.8000113F38 L39 F40 K62 L73 I75 K173 F176F38-Y42 WeakPolarHBondContact O-CB 3.3Å; F38-Y42 PolarHBondContact O-N 3.41Å; L39-Y42 PolarHBondContact O-N 2.83Å; F40-Y42 PolarHBondContact O-N 3.09Å; Y42-K62 HydrophobicContact CD1-CD 3.81Å; Y42-K62 HydrophobicContact CE1-CB 4.48Å; Y42-K62 HydrophobicContact CE1-CD 3.23Å; Y42-K62 HydrophobicContact CE1-CG 4.44Å; Y42-K62 HydrophobicContact CE2-CD 4.37Å; Y42-K62 PolarHBondContact O-NZ 2.79Å; Y42-L73 HydrophobicContact CE1-CD1 4.24Å; Y42-L73 WeakPolarHBondContact OH-CD1 3.24Å; Y42-I75 HydrophobicContact CD1-CD1 3.91Å; Y42-I75 HydrophobicContact CE1-CD1 3.76Å; Y42-K173 HydrophobicContact CE2-CG 4.46Å; Y42-F176 VanDerWaalsContact CB-CE2 3.46Å; Y42-F176 HydrophobicContact CD1-CB 4.48Å; Y42-F176 AromaticContact CD1-CD1 3.91Å; Y42-F176 HydrophobicContact CD1-CD1 3.91Å; Y42-F176 AromaticContact CD1-CD2 3.61Å; Y42-F176 HydrophobicContact CD1-CD2 3.61Å; Y42-F176 AromaticContact CD1-CE1 3.97Å; Y42-F176 HydrophobicContact CD1-CE1 3.97Å; Y42-F176 AromaticContact CD1-CE2 3.67Å; Y42-F176 HydrophobicContact CD1-CE2 3.67Å; Y42-F176 AromaticContact CD1-CG 3.74Å; Y42-F176 HydrophobicContact CD1-CG 3.74Å; Y42-F176 AromaticContact CD1-CZ 3.85Å; Y42-F176 HydrophobicContact CD1-CZ 3.85Å; Y42-F176 HydrophobicContact CD2-CB 4.11Å; Y42-F176 AromaticContact CD2-CD2 3.46Å; Y42-F176 HydrophobicContact CD2-CD2 3.46Å; Y42-F176 VanDerWaalsContact CD2-CD2 3.46Å; Y42-F176 HydrophobicContact CD2-CE2 4.07Å; Y42-F176 AromaticContact CD2-CG 3.92Å; Y42-F176 HydrophobicContact CD2-CG 3.92Å; Y42-F176 HydrophobicContact CE1-CB 4Å; Y42-F176 AromaticContact CE1-CD1 3.75Å; Y42-F176 HydrophobicContact CE1-CD1 3.75Å; Y42-F176 AromaticContact CE1-CD2 3.99Å; Y42-F176 HydrophobicContact CE1-CD2 3.99Å; Y42-F176 HydrophobicContact CE1-CE1 4.2Å; Y42-F176 HydrophobicContact CE1-CE2 4.41Å; Y42-F176 AromaticContact CE1-CG 3.64Å; Y42-F176 HydrophobicContact CE1-CG 3.64Å; Y42-F176 HydrophobicContact CE2-CB 3.59Å; Y42-F176 AromaticContact CE2-CD2 3.87Å; Y42-F176 HydrophobicContact CE2-CD2 3.87Å; Y42-F176 AromaticContact CE2-CG 3.84Å; Y42-F176 HydrophobicContact CE2-CG 3.84Å; Y42-F176 HydrophobicContact CG-CD1 4.46Å; Y42-F176 AromaticContact CG-CD2 3.31Å; Y42-F176 HydrophobicContact CG-CD2 3.31Å; Y42-F176 AromaticContact CG-CE2 3.45Å; Y42-F176 HydrophobicContact CG-CE2 3.45Å; Y42-F176 VanDerWaalsContact CG-CE2 3.45Å; Y42-F176 AromaticContact CG-CG 3.86Å; Y42-F176 HydrophobicContact CG-CG 3.86Å; Y42-F176 HydrophobicContact CG-CZ 4.11Å; Y42-F176 AromaticContact CZ-CG 3.69Å
43A95.1Very high93.1Very high15 Ų1553.1 Ų53.112%0.12431%0.306CS..Hα-helixtrans-83.3-41.3-168.300000112.4L39 F40 K60 K62L39-A43 HydrophobicContact CD1-CB 4.27Å; L39-A43 WeakPolarHBondContact O-CB 3.39Å; L39-A43 PolarHBondContact O-N 2.92Å; F40-A43 PolarHBondContact O-N 3.2Å; A43-K60 HydrophobicContact CB-CD 3.55Å; A43-K60 HydrophobicContact CB-CG 4.4Å; A43-K60 VanDerWaalsContact CB-NZ 3.35Å; A43-K62 PolarHBondContact O-NZ 3.02Å; A43-K62 VanDerWaalsContact O-NZ 3.12Å
44D93.3Very high92.3Very high83 Ų8354.6 Ų54.644%0.44432%0.315SS..Hα-helixtrans-123.42.9-168.7-57.1-43.9000113.5F40 S46 K60F40-D44 WeakPolarHBondContact CD1-OD2 3.26Å; F40-D44 CarbonylContact O-C 3.59Å; F40-D44 WeakPolarHBondContact O-CA 3.46Å; F40-D44 PolarHBondContact O-N 3.4Å; D44-S46 PolarHBondContact O-N 3.3Å; D44-K60 IonicContact OD1-NZ 2.95Å; D44-K60 PolarHBondContact OD1-NZ 3.46Å; D44-K60 WeakPolarHBondContact OD2-CE 3.19Å; D44-K60 IonicContact OD2-NZ 3.01Å; D44-K60 PolarHBondContact OD2-NZ 3.02Å
45D94.8Very high91.4Very high109 Ų10959.1 Ų59.158%0.58334%0.34SS*.SBendtrans50.640.1-174.2-163.223.7000113.3F40 R41F40-D45 PolarHBondContact O-N 2.63Å; R41-D45 IonicContact CZ-OD1 3.48Å; R41-D45 VanDerWaalsContact NH1-C 3.29Å; R41-D45 PolarHBondContact NH1-O 3.29Å; R41-D45 IonicContact NH1-OD1 3.28Å; R41-D45 PolarHBondContact NH1-OD1 3.21Å; R41-D45 VanDerWaalsContact O-CA 3.24Å; R41-D45 WeakPolarHBondContact O-CA 3.41Å; R41-D45 PolarHBondContact O-N 3.22Å; R41-D45 VanDerWaalsContact O-N 3.15Å
46S94.3Very high90.8Very high47 Ų4759.5 Ų59.533%0.32935%0.347SS..  trans-123.4149.9-17868.20000112.2F40 R41 D44F40-S46 CarbonylContact C-O 3.56Å; F40-S46 PolarHBondContact O-N 3.47Å; R41-S46 VanDerWaalsContact CA-O 3.29Å; R41-S46 WeakPolarHBondContact CA-O 3.15Å; R41-S46 PolarHBondContact N-O 2.89Å; R41-S46 VanDerWaalsContact N-O 3.15Å; D44-S46 PolarHBondContact O-N 3.3Å
47F94.1Very high90.4Very high72 Ų7259.8 Ų59.832%0.31635%0.347SS..  trans-141.3135.4173.7176.9-94.1000109.4R41 P49 A166 K167R41-F47 VanDerWaalsContact NH2-CB 3.3Å; F47-P49 HydrophobicContact CE1-CB 4.15Å; F47-A166 HydrophobicContact CD2-CB 4.31Å; F47-A166 HydrophobicContact CE2-CB 4.42Å; F47-K167 HydrophobicContact CD1-CB 4.38Å; F47-K167 HydrophobicContact CD1-CG 4.14Å; F47-K167 HydrophobicContact CD2-CB 4.19Å; F47-K167 HydrophobicContact CE1-CB 4.03Å; F47-K167 HydrophobicContact CE1-CG 3.75Å; F47-K167 HydrophobicContact CE2-CB 3.82Å; F47-K167 HydrophobicContact CE2-CG 4.46Å; F47-K167 HydrophobicContact CG-CB 4.46Å; F47-K167 HydrophobicContact CZ-CB 3.73Å; F47-K167 HydrophobicContact CZ-CG 3.93Å
48T90.5Very high90Very high89 Ų8961.5 Ų61.555%0.54635%0.353SS..  trans-124.8125.4175.1-660000108.4A50T48-A50 HydrophobicContact CG2-CB 3.74Å; T48-A50 PolarHBondContact O-N 3.15Å
49P85.8Confident89.7Confident117 Ų11765.5 Ų65.576%0.7637%0.371SS*.  trans-73.2-17.1179.529.4-35000112.8F47 F51F47-P49 HydrophobicContact CE1-CB 4.15Å; P49-F51 PolarHBondContact O-N 3.24Å
50A84.8Confident89.6Confident68 Ų6867.8 Ų67.856%0.56238%0.38SS*.SBendtrans-64.8120.2176.500000110.3T48 V52T48-A50 HydrophobicContact CG2-CB 3.74Å; T48-A50 PolarHBondContact O-N 3.15Å; A50-V52 PolarHBondContact O-N 3.01Å
51F83.9Confident89.6Confident129 Ų12967.7 Ų67.757%0.56639%0.386SS*.  trans-80.5119.2174.4175.8-109.2000110.4P49 S53P49-F51 PolarHBondContact O-N 3.24Å; F51-S53 WeakPolarHBondContact CE1-OG 3.26Å; F51-S53 VanDerWaalsContact CZ-OG 3.24Å; F51-S53 WeakPolarHBondContact CZ-OG 3.38Å
52V84Confident89.5Confident117 Ų11768.6 Ų68.671%0.70939%0.391SS*.  trans-122.4123.4169-176.90000107.4A50 T54A50-V52 PolarHBondContact O-N 3.01Å; V52-T54 PolarHBondContact O-N 2.74Å
53S87Confident89.4Confident47 Ų4770 Ų7033%0.32940%0.401SS..PPolyproline II helixtrans-68.6122.5176.8-71.60000110.3F51 V55F51-S53 WeakPolarHBondContact CE1-OG 3.26Å; F51-S53 VanDerWaalsContact CZ-OG 3.24Å; F51-S53 WeakPolarHBondContact CZ-OG 3.38Å; S53-V55 PolarHBondContact O-N 3.4Å
54T79.9Confident89.4Confident32 Ų3270.2 Ų70.220%0.19640%0.4CS..PPolyproline II helixtrans-63.5123.7173-44.90000109.9T36 V52 A79T36-T54 PolarHBondContact OG1-OG1 3Å; V52-T54 PolarHBondContact O-N 2.74Å; T54-A79 VanDerWaalsContact O-CB 3.31Å; T54-A79 WeakPolarHBondContact O-CB 3.5Å
55V79.3Confident89.4Confident107 Ų10773.9 Ų73.965%0.64841%0.409SS*.PPolyproline II helixtrans-100122.2173.9175.80000107.8S53S53-V55 PolarHBondContact O-N 3.4Å
56G81.7Confident89.2Confident17 Ų1771.4 Ų71.418%0.17539%0.391CS..SBendtrans74.8-129.9-176.800000112.7A79G56-A79 WeakPolarHBondContact O-CB 3.37Å; G56-A79 PolarHBondContact O-N 2.94Å
57I87.1Confident88.9Confident39 Ų3975.8 Ų75.820%0.241%0.411CS..EExtended strand (participates in β ladder)trans-139.6131.8-175.4-56.3-175.9000108.8W76 D77 T78 I87 Y91I57-W76 HydrophobicContact CG2-CB 4.23Å; I57-W76 HydrophobicContact CG2-CE3 3.72Å; I57-D77 CarbonylContact C-O 3.43Å; I57-D77 VanDerWaalsContact CA-O 3.31Å; I57-D77 WeakPolarHBondContact CA-O 3.47Å; I57-D77 VanDerWaalsContact CG2-O 3.27Å; I57-D77 WeakPolarHBondContact CG2-O 3.36Å; I57-T78 HydrophobicContact CD1-CG2 4.45Å; I57-T78 HydrophobicContact CG2-CG2 4.45Å; I57-I87 HydrophobicContact CD1-CG2 4.15Å; I57-I87 HydrophobicContact CG1-CG2 4.37Å; I57-Y91 HydrophobicContact CD1-CD1 4.15Å; I57-Y91 HydrophobicContact CD1-CD2 3.1Å; I57-Y91 HydrophobicContact CD1-CE1 4.26Å; I57-Y91 HydrophobicContact CD1-CE2 3.27Å; I57-Y91 HydrophobicContact CD1-CG 3.58Å; I57-Y91 HydrophobicContact CG1-CE2 4.43Å
58D89.8Confident88.7Confident71 Ų7180.2 Ų80.238%0.3844%0.438SS..EExtended strand (participates in β ladder)trans-100.3151.6171.7-163.88.3000110.2W76 D77D58-W76 CarbonylContact O-C 3.57Å; D58-W76 WeakPolarHBondContact O-CA 3.48Å; D58-D77 HydrophobicContact CB-CB 4.33Å; D58-D77 PolarHBondContact N-O 3.43Å; D58-D77 PolarHBondContact O-N 2.97Å
59F91.5Very high88.8Confident83 Ų8379.9 Ų79.936%0.36443%0.429SS..EExtended strand (participates in β ladder)trans-133.6127.4-171.3174.6-104.5000111.2V61 Q74 W76F59-V61 HydrophobicContact CE1-CG2 3.52Å; F59-V61 HydrophobicContact CE2-CG2 4.45Å; F59-V61 HydrophobicContact CZ-CG2 3.46Å; F59-V61 VanDerWaalsContact CZ-CG2 3.46Å; F59-Q74 HydrophobicContact CE2-CB 3.8Å; F59-Q74 HydrophobicContact CE2-CG 4Å; F59-Q74 HydrophobicContact CZ-CB 4.23Å; F59-Q74 HydrophobicContact CZ-CG 3.92Å; F59-W76 HydrophobicContact CB-CE3 4.29Å; F59-W76 HydrophobicContact CB-CZ3 4.39Å; F59-W76 AromaticContact CD2-CD2 3.62Å; F59-W76 HydrophobicContact CD2-CD2 3.62Å; F59-W76 AromaticContact CD2-CE2 3.44Å; F59-W76 VanDerWaalsContact CD2-CE2 3.44Å; F59-W76 AromaticContact CD2-CE3 3.94Å; F59-W76 HydrophobicContact CD2-CE3 3.94Å; F59-W76 HydrophobicContact CD2-CG 4.13Å; F59-W76 HydrophobicContact CD2-CH2 4.04Å; F59-W76 AromaticContact CD2-CZ2 3.69Å; F59-W76 HydrophobicContact CD2-CZ2 3.69Å; F59-W76 HydrophobicContact CD2-CZ3 4.14Å; F59-W76 AromaticContact CD2-NE1 3.78Å; F59-W76 HydrophobicContact CE2-CD2 4.24Å; F59-W76 AromaticContact CE2-CE2 3.6Å; F59-W76 HydrophobicContact CE2-CH2 4.41Å; F59-W76 AromaticContact CE2-CZ2 3.72Å; F59-W76 HydrophobicContact CE2-CZ2 3.72Å; F59-W76 AromaticContact CE2-NE1 3.63Å
60K93.9Very high89.2Confident50 Ų5076 Ų7622%0.21740%0.399CS..EExtended strand (participates in β ladder)trans-133.9135.8178.9-152.1159.2-155.4-73.90111.4L39 A43 D44 I75L39-K60 HydrophobicContact CD1-CB 4.33Å; L39-K60 HydrophobicContact CD1-CD 4.4Å; L39-K60 HydrophobicContact CD2-CB 4.11Å; L39-K60 HydrophobicContact CD2-CD 4.48Å; L39-K60 HydrophobicContact CG-CD 4.32Å; A43-K60 HydrophobicContact CB-CD 3.55Å; A43-K60 HydrophobicContact CB-CG 4.4Å; A43-K60 VanDerWaalsContact CB-NZ 3.35Å; D44-K60 IonicContact OD1-NZ 2.95Å; D44-K60 PolarHBondContact OD1-NZ 3.46Å; D44-K60 WeakPolarHBondContact OD2-CE 3.19Å; D44-K60 IonicContact OD2-NZ 3.01Å; D44-K60 PolarHBondContact OD2-NZ 3.02Å; K60-I75 PolarHBondContact N-O 3.27Å; K60-I75 PolarHBondContact O-N 3.19Å
61V95.1Very high89.7Confident71 Ų7172.9 Ų72.943%0.4337%0.373SS..EExtended strand (participates in β ladder)trans-101.6126.1171-177.90000108.8F59 K72 L73 Q74F59-V61 HydrophobicContact CE1-CG2 3.52Å; F59-V61 HydrophobicContact CE2-CG2 4.45Å; F59-V61 HydrophobicContact CZ-CG2 3.46Å; F59-V61 VanDerWaalsContact CZ-CG2 3.46Å; V61-K72 HydrophobicContact CG1-CD 4.48Å; V61-L73 CarbonylContact C-O 3.51Å; V61-L73 VanDerWaalsContact CA-O 3.27Å; V61-L73 WeakPolarHBondContact CA-O 3.3Å; V61-Q74 HydrophobicContact CG2-CG 4.48Å
62K95.2Very high90.3Very high59 Ų5968.3 Ų68.326%0.25735%0.353SS..EExtended strand (participates in β ladder)trans-124.3126.1169.8-164.5-171.9-179.292.50109.1Y42 A43 I64 L73 I75Y42-K62 HydrophobicContact CD1-CD 3.81Å; Y42-K62 HydrophobicContact CE1-CB 4.48Å; Y42-K62 HydrophobicContact CE1-CD 3.23Å; Y42-K62 HydrophobicContact CE1-CG 4.44Å; Y42-K62 HydrophobicContact CE2-CD 4.37Å; Y42-K62 PolarHBondContact O-NZ 2.79Å; A43-K62 PolarHBondContact O-NZ 3.02Å; A43-K62 VanDerWaalsContact O-NZ 3.12Å; K62-I64 HydrophobicContact CD-CG2 4.32Å; K62-I64 HydrophobicContact CG-CG2 4.45Å; K62-L73 PolarHBondContact N-O 3.07Å; K62-L73 WeakPolarHBondContact O-CB 3.39Å; K62-L73 PolarHBondContact O-N 2.78Å; K62-I75 HydrophobicContact CB-CD1 4.44Å
63T95.4Very high91Very high47 Ų4762.8 Ų62.829%0.28832%0.319SS..EExtended strand (participates in β ladder)trans-92.8130.4174-53.60000109.6R70 I71 K72T63-R70 HydrophobicContact CG2-CG 3.48Å; T63-R70 VanDerWaalsContact CG2-CG 3.48Å; T63-R70 VanDerWaalsContact CG2-NE 3.3Å; T63-I71 WeakPolarHBondContact CA-O 3.42Å; T63-K72 HydrophobicContact CG2-CG 4.36Å
64I95.4Very high91.5Very high21 Ų2163 Ų6311%0.10832%0.315CS..EExtended strand (participates in β ladder)trans-126165.8175.966.1167.8000110.3K62 R66 I71 L73 V180K62-I64 HydrophobicContact CD-CG2 4.32Å; K62-I64 HydrophobicContact CG-CG2 4.45Å; I64-R66 HydrophobicContact CD1-CG 3.98Å; I64-I71 HydrophobicContact CG1-CB 4.02Å; I64-I71 PolarHBondContact N-O 2.79Å; I64-I71 PolarHBondContact O-N 2.83Å; I64-L73 HydrophobicContact CD1-CD1 3.93Å; I64-L73 HydrophobicContact CD1-CD2 4.3Å; I64-L73 HydrophobicContact CD1-CG 4.26Å; I64-L73 HydrophobicContact CG1-CD1 4.34Å; I64-L73 HydrophobicContact CG1-CG 4.28Å; I64-L73 HydrophobicContact CG2-CD1 4.34Å; I64-V180 HydrophobicContact CD1-CB 4.36Å; I64-V180 HydrophobicContact CD1-CG1 3.98Å; I64-V180 HydrophobicContact CD1-CG2 3.87Å
65Y93.6Very high92.3Very high159 Ų15961.5 Ų61.562%0.62431%0.306SS*.EExtended strand (participates in β ladder)trans-118.5126.1172.9-68.5-95000109.2K69 R70Y65-K69 VanDerWaalsContact CA-O 3.32Å; Y65-K69 WeakPolarHBondContact CA-O 3.41Å; Y65-R70 HydrophobicContact CD1-CB 4.06Å; Y65-R70 HydrophobicContact CD1-CG 4.35Å; Y65-R70 HydrophobicContact CE1-CB 3.72Å; Y65-R70 HydrophobicContact CE1-CG 3.8Å; Y65-R70 HydrophobicContact CE2-CG 4.48Å; Y65-R70 WeakPolarHBondContact OH-CD 3.09Å
66R90.4Very high93.1Very high57 Ų5758.8 Ų58.822%0.21528%0.284CS..EExtended strand (participates in β ladder)trans-138.8129.7174.9-69.3-62-114.6-160.54109.1I64 D68 K69 I71 E177 V180 D181I64-R66 HydrophobicContact CD1-CG 3.98Å; R66-D68 VanDerWaalsContact C-N 3.32Å; R66-D68 PolarHBondContact O-N 3.48Å; R66-K69 PolarHBondContact N-O 2.84Å; R66-K69 WeakPolarHBondContact O-CA 3.18Å; R66-K69 VanDerWaalsContact O-CB 3.3Å; R66-K69 WeakPolarHBondContact O-CB 3.47Å; R66-K69 PolarHBondContact O-N 2.76Å; R66-I71 HydrophobicContact CB-CD1 4.02Å; R66-I71 HydrophobicContact CG-CD1 4.49Å; R66-E177 VanDerWaalsContact CZ-CD 3.5Å; R66-E177 IonicContact CZ-OE2 3.28Å; R66-E177 IonicContact NH1-OE1 3.51Å; R66-E177 PolarHBondContact NH1-OE1 2.94Å; R66-E177 IonicContact NH1-OE2 3.14Å; R66-E177 PolarHBondContact NH1-OE2 3.29Å; R66-E177 VanDerWaalsContact NH2-CB 3.27Å; R66-E177 IonicContact NH2-OE2 2.68Å; R66-E177 PolarHBondContact NH2-OE2 3.41Å; R66-V180 HydrophobicContact CG-CG1 4.1Å; R66-D181 IonicContact CZ-OD1 2.81Å; R66-D181 IonicContact CZ-OD2 2.64Å; R66-D181 IonicContact NE-OD1 3.59Å; R66-D181 PolarHBondContact NE-OD1 3.24Å; R66-D181 VanDerWaalsContact NE-OD1 3.13Å; R66-D181 IonicContact NE-OD2 3.62Å; R66-D181 IonicContact NH2-OD1 3.78Å; R66-D181 PolarHBondContact NH2-OD1 2.66Å; R66-D181 IonicContact NH2-OD2 3.85Å; R66-D181 PolarHBondContact NH2-OD2 3.31Å
67N88.8Confident93.7Very high139 Ų13958 Ų5874%0.74328%0.276SS*.THydrogen-bonded Turntrans49.548.8179-56-26.6000113.3K69N67-K69 PolarHBondContact O-N 3.36Å
68D89Confident93.8Very high166 Ų16656.1 Ų56.189%0.88827%0.266SS*.THydrogen-bonded Turntrans58.613.8-176-57.4-43.2000115.5R66R66-D68 VanDerWaalsContact C-N 3.32Å; R66-D68 PolarHBondContact O-N 3.48Å
69K92.2Very high93.5Very high82 Ų8252.7 Ų52.736%0.35725%0.248SC..EExtended strand (participates in β ladder)trans-104.9133.8175.3-60.1-65.7-177.7-1760110.7D20 Y21 Y65 R66 N67 I71D20-K69 HydrophobicContact CB-CB 4.17Å; D20-K69 HydrophobicContact CB-CD 3.81Å; D20-K69 VanDerWaalsContact CG-CD 3.41Å; D20-K69 VanDerWaalsContact OD1-CD 3.26Å; D20-K69 WeakPolarHBondContact OD1-CD 3.38Å; D20-K69 IonicContact OD1-NZ 3.65Å; D20-K69 PolarHBondContact OD1-NZ 2.76Å; D20-K69 VanDerWaalsContact OD1-NZ 3.09Å; D20-K69 WeakPolarHBondContact OD2-CA 3.39Å; Y21-K69 HydrophobicContact CD2-CB 4.19Å; Y21-K69 HydrophobicContact CD2-CG 4.46Å; Y21-K69 HydrophobicContact CE2-CB 4.18Å; Y21-K69 HydrophobicContact CE2-CD 4.09Å; Y21-K69 HydrophobicContact CE2-CG 3.94Å; Y65-K69 VanDerWaalsContact CA-O 3.32Å; Y65-K69 WeakPolarHBondContact CA-O 3.41Å; R66-K69 PolarHBondContact N-O 2.84Å; R66-K69 WeakPolarHBondContact O-CA 3.18Å; R66-K69 VanDerWaalsContact O-CB 3.3Å; R66-K69 WeakPolarHBondContact O-CB 3.47Å; R66-K69 PolarHBondContact O-N 2.76Å; N67-K69 PolarHBondContact O-N 3.36Å; K69-I71 HydrophobicContact CB-CG1 4.35Å
70R94.9Very high92.8Very high35 Ų3549.2 Ų49.213%0.13224%0.235CC..EExtended strand (participates in β ladder)trans-88111.4172.7-172.4174.2178.5-158.51.1109S15 D16 N18 F19 D20 Y21 T63 Y65S15-R70 PolarHBondContact O-NH1 3.08Å; D16-R70 IonicContact OD1-NH2 2.68Å; D16-R70 PolarHBondContact OD1-NH2 3.03Å; N18-R70 VanDerWaalsContact O-CD 3.29Å; N18-R70 WeakPolarHBondContact O-CD 3.47Å; N18-R70 PolarHBondContact O-NH1 3.02Å; F19-R70 HydrophobicContact CB-CG 4.49Å; D20-R70 PolarHBondContact N-O 3.38Å; D20-R70 PolarHBondContact OD2-N 3.05Å; Y21-R70 PolarHBondContact N-O 2.87Å; T63-R70 HydrophobicContact CG2-CG 3.48Å; T63-R70 VanDerWaalsContact CG2-CG 3.48Å; T63-R70 VanDerWaalsContact CG2-NE 3.3Å; Y65-R70 HydrophobicContact CD1-CB 4.06Å; Y65-R70 HydrophobicContact CD1-CG 4.35Å; Y65-R70 HydrophobicContact CE1-CB 3.72Å; Y65-R70 HydrophobicContact CE1-CG 3.8Å; Y65-R70 HydrophobicContact CE2-CG 4.48Å; Y65-R70 WeakPolarHBondContact OH-CD 3.09Å
71I96.6Very high92.2Very high2 Ų250 Ų501%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-111.1124.1-175-51.8-179.4000109.1Y21 F23 T63 I64 R66 K69 L73 V180Y21-I71 HydrophobicContact CD2-CG1 4.29Å; Y21-I71 CarbonylContact O-C 3.58Å; Y21-I71 WeakPolarHBondContact O-CA 3.13Å; F23-I71 HydrophobicContact CD1-CG2 4.4Å; F23-I71 HydrophobicContact CD2-CG2 3.71Å; F23-I71 HydrophobicContact CE1-CG2 4.46Å; F23-I71 HydrophobicContact CE2-CD1 4.1Å; F23-I71 HydrophobicContact CE2-CG2 3.8Å; F23-I71 HydrophobicContact CG-CG2 4.01Å; F23-I71 HydrophobicContact CZ-CD1 4.32Å; F23-I71 HydrophobicContact CZ-CG2 4.15Å; T63-I71 WeakPolarHBondContact CA-O 3.42Å; I64-I71 HydrophobicContact CG1-CB 4.02Å; I64-I71 PolarHBondContact N-O 2.79Å; I64-I71 PolarHBondContact O-N 2.83Å; R66-I71 HydrophobicContact CB-CD1 4.02Å; R66-I71 HydrophobicContact CG-CD1 4.49Å; K69-I71 HydrophobicContact CB-CG1 4.35Å; I71-L73 HydrophobicContact CG2-CD2 3.77Å; I71-V180 HydrophobicContact CD1-CG1 3.79Å
72K96.5Very high91.1Very high34 Ų3452.8 Ų52.815%0.14825%0.248CC..EExtended strand (participates in β ladder)trans-90.8116170.2-74.6-168.4178.6-177.90110.4D16 F19 Y21 M22 F23 V61 T63D16-K72 WeakPolarHBondContact O-CE 3.42Å; D16-K72 PolarHBondContact O-NZ 2.84Å; F19-K72 HydrophobicContact CB-CD 4.17Å; F19-K72 HydrophobicContact CB-CG 3.88Å; F19-K72 HydrophobicContact CD1-CD 3.47Å; F19-K72 VanDerWaalsContact CD1-CD 3.47Å; F19-K72 VanDerWaalsContact CD1-CE 3.43Å; F19-K72 HydrophobicContact CD1-CG 4.12Å; F19-K72 HydrophobicContact CE1-CD 3.93Å; F19-K72 HydrophobicContact CG-CB 4.47Å; F19-K72 HydrophobicContact CG-CD 3.79Å; F19-K72 HydrophobicContact CG-CG 3.91Å; Y21-K72 PolarHBondContact O-N 3.2Å; M22-K72 CarbonylContact C-O 3.5Å; M22-K72 VanDerWaalsContact CA-O 3.24Å; M22-K72 WeakPolarHBondContact CA-O 3.47Å; M22-K72 HydrophobicContact CB-CB 4.45Å; M22-K72 HydrophobicContact CG-CB 4.46Å; F23-K72 PolarHBondContact N-O 3.09Å; V61-K72 HydrophobicContact CG1-CD 4.48Å; T63-K72 HydrophobicContact CG2-CG 4.36Å
73L97.6Very high90.3Very high0 Ų059.2 Ų59.20%027%0.271CS..EExtended strand (participates in β ladder)trans-88.9118.7171.9-50.8-174.6000109.1F23 I25 Y42 V61 K62 I64 I71 I75 V180F23-L73 HydrophobicContact CB-CD2 4.01Å; F23-L73 HydrophobicContact CD2-CD2 4.11Å; F23-L73 HydrophobicContact CG-CD2 4.43Å; I25-L73 HydrophobicContact CD1-CD1 4.33Å; I25-L73 HydrophobicContact CD1-CD2 4.07Å; Y42-L73 HydrophobicContact CE1-CD1 4.24Å; Y42-L73 WeakPolarHBondContact OH-CD1 3.24Å; V61-L73 CarbonylContact C-O 3.51Å; V61-L73 VanDerWaalsContact CA-O 3.27Å; V61-L73 WeakPolarHBondContact CA-O 3.3Å; K62-L73 PolarHBondContact N-O 3.07Å; K62-L73 WeakPolarHBondContact O-CB 3.39Å; K62-L73 PolarHBondContact O-N 2.78Å; I64-L73 HydrophobicContact CD1-CD1 3.93Å; I64-L73 HydrophobicContact CD1-CD2 4.3Å; I64-L73 HydrophobicContact CD1-CG 4.26Å; I64-L73 HydrophobicContact CG1-CD1 4.34Å; I64-L73 HydrophobicContact CG1-CG 4.28Å; I64-L73 HydrophobicContact CG2-CD1 4.34Å; I71-L73 HydrophobicContact CG2-CD2 3.77Å; L73-I75 HydrophobicContact CB-CD1 4.13Å; L73-I75 HydrophobicContact CB-CG1 3.9Å; L73-V180 HydrophobicContact CD1-CG2 3.97Å; L73-V180 HydrophobicContact CD2-CG2 3.55Å; L73-V180 HydrophobicContact CG-CG2 4.41Å
74Q97.1Very high89.5Confident52 Ų5260 Ų6024%0.24327%0.269CS..EExtended strand (participates in β ladder)trans-93.593.9168.8-77.4-169.1-3000108.1M22 F23 I25 F59 V61 W76M22-Q74 HydrophobicContact CG-CG 3.97Å; M22-Q74 VanDerWaalsContact SD-CD 3.5Å; M22-Q74 HydrophobicContact SD-CG 4.04Å; M22-Q74 PolarHBondContact SD-NE2 3.08Å; M22-Q74 VanDerWaalsContact SD-NE2 3.36Å; F23-Q74 PolarHBondContact O-N 3.26Å; I25-Q74 PolarHBondContact N-O 3.26Å; F59-Q74 HydrophobicContact CE2-CB 3.8Å; F59-Q74 HydrophobicContact CE2-CG 4Å; F59-Q74 HydrophobicContact CZ-CB 4.23Å; F59-Q74 HydrophobicContact CZ-CG 3.92Å; V61-Q74 HydrophobicContact CG2-CG 4.48Å; Q74-W76 VanDerWaalsContact O-CD1 3.28Å
75I97.4Very high88.6Confident0 Ų063.5 Ų63.50%028%0.281CS..EExtended strand (participates in β ladder)trans-98.5122.3-173.5-49.5165.3000109I25 I27 L39 Y42 K60 K62 L73 F176I25-I75 CarbonylContact O-C 3.49Å; I25-I75 WeakPolarHBondContact O-CA 3.46Å; I27-I75 HydrophobicContact CD1-CG2 3.87Å; I27-I75 HydrophobicContact CG1-CG2 3.96Å; L39-I75 HydrophobicContact CD1-CB 4.01Å; L39-I75 HydrophobicContact CD1-CD1 3.91Å; L39-I75 HydrophobicContact CD1-CG2 3.69Å; L39-I75 HydrophobicContact CD2-CG2 4.42Å; Y42-I75 HydrophobicContact CD1-CD1 3.91Å; Y42-I75 HydrophobicContact CE1-CD1 3.76Å; K60-I75 PolarHBondContact N-O 3.27Å; K60-I75 PolarHBondContact O-N 3.19Å; K62-I75 HydrophobicContact CB-CD1 4.44Å; L73-I75 HydrophobicContact CB-CD1 4.13Å; L73-I75 HydrophobicContact CB-CG1 3.9Å; I75-F176 HydrophobicContact CD1-CD1 4.15Å; I75-F176 HydrophobicContact CD1-CE1 3.72Å; I75-F176 HydrophobicContact CD1-CZ 4.46Å; I75-F176 HydrophobicContact CG1-CE1 4.23Å; I75-F176 HydrophobicContact CG2-CE1 4.03Å
76W95.4Very high87.9Confident50 Ų5061.7 Ų61.719%0.18929%0.286CS..EExtended strand (participates in β ladder)trans-108109.8-179.5-61.778.6000108.7I25 L26 I27 I57 D58 F59 Q74 Y91I25-W76 PolarHBondContact O-N 3.02Å; L26-W76 HydrophobicContact CD1-CB 4.04Å; L26-W76 HydrophobicContact CD1-CG 4.11Å; L26-W76 HydrophobicContact CG-CB 3.95Å; I27-W76 PolarHBondContact N-O 3.25Å; I57-W76 HydrophobicContact CG2-CB 4.23Å; I57-W76 HydrophobicContact CG2-CE3 3.72Å; D58-W76 CarbonylContact O-C 3.57Å; D58-W76 WeakPolarHBondContact O-CA 3.48Å; F59-W76 HydrophobicContact CB-CE3 4.29Å; F59-W76 HydrophobicContact CB-CZ3 4.39Å; F59-W76 AromaticContact CD2-CD2 3.62Å; F59-W76 HydrophobicContact CD2-CD2 3.62Å; F59-W76 AromaticContact CD2-CE2 3.44Å; F59-W76 VanDerWaalsContact CD2-CE2 3.44Å; F59-W76 AromaticContact CD2-CE3 3.94Å; F59-W76 HydrophobicContact CD2-CE3 3.94Å; F59-W76 HydrophobicContact CD2-CG 4.13Å; F59-W76 HydrophobicContact CD2-CH2 4.04Å; F59-W76 AromaticContact CD2-CZ2 3.69Å; F59-W76 HydrophobicContact CD2-CZ2 3.69Å; F59-W76 HydrophobicContact CD2-CZ3 4.14Å; F59-W76 AromaticContact CD2-NE1 3.78Å; F59-W76 HydrophobicContact CE2-CD2 4.24Å; F59-W76 AromaticContact CE2-CE2 3.6Å; F59-W76 HydrophobicContact CE2-CH2 4.41Å; F59-W76 AromaticContact CE2-CZ2 3.72Å; F59-W76 HydrophobicContact CE2-CZ2 3.72Å; F59-W76 AromaticContact CE2-NE1 3.63Å; Q74-W76 VanDerWaalsContact O-CD1 3.28Å; W76-Y91 HydrophobicContact CD2-CD1 4.32Å; W76-Y91 AromaticContact CE3-CD1 3.71Å; W76-Y91 HydrophobicContact CE3-CD1 3.71Å; W76-Y91 AromaticContact CE3-CE1 3.93Å; W76-Y91 HydrophobicContact CE3-CE1 3.93Å; W76-Y91 HydrophobicContact CH2-CD1 4.04Å; W76-Y91 AromaticContact CH2-CE1 3.93Å; W76-Y91 HydrophobicContact CH2-CE1 3.93Å; W76-Y91 AromaticContact CZ3-CD1 3.55Å; W76-Y91 HydrophobicContact CZ3-CD1 3.55Å; W76-Y91 AromaticContact CZ3-CE1 3.36Å; W76-Y91 HydrophobicContact CZ3-CE1 3.36Å
77D93.8Very high87.3Confident0 Ų062.7 Ų62.70%030%0.295CS..EExtended strand (participates in β ladder)trans-86.3122.1171.8177.339.6000109.5K35 T36 L39 I57 D58K35-D77 VanDerWaalsContact CB-OD1 3.24Å; K35-D77 WeakPolarHBondContact CB-OD1 3.44Å; T36-D77 WeakPolarHBondContact CA-OD2 3.43Å; T36-D77 VanDerWaalsContact CB-OD2 3.24Å; T36-D77 WeakPolarHBondContact CB-OD2 3.45Å; T36-D77 WeakPolarHBondContact CG2-OD2 3.49Å; T36-D77 PolarHBondContact OG1-OD2 3.25Å; L39-D77 HydrophobicContact CD2-CB 3.72Å; I57-D77 CarbonylContact C-O 3.43Å; I57-D77 VanDerWaalsContact CA-O 3.31Å; I57-D77 WeakPolarHBondContact CA-O 3.47Å; I57-D77 VanDerWaalsContact CG2-O 3.27Å; I57-D77 WeakPolarHBondContact CG2-O 3.36Å; D58-D77 HydrophobicContact CB-CB 4.33Å; D58-D77 PolarHBondContact N-O 3.43Å; D58-D77 PolarHBondContact O-N 2.97Å
78T89.2Confident86.9Confident0 Ų056 Ų560%026%0.26CS..EExtended strand (participates in β ladder)trans-104.7149.4-170.666.40000112I27 I28 K35 I57 G80 T88I27-T78 PolarHBondContact O-N 2.94Å; I27-T78 PolarHBondContact O-OG1 3.35Å; I28-T78 HydrophobicContact CG2-CG2 4.1Å; K35-T78 WeakPolarHBondContact CE-O 3.41Å; I57-T78 HydrophobicContact CD1-CG2 4.45Å; I57-T78 HydrophobicContact CG2-CG2 4.45Å; T78-G80 PolarHBondContact O-N 3.39Å; T78-T88 HydrophobicContact CG2-CG2 4.06Å
79A85.3Confident86.6Confident0 Ų049.3 Ų49.30%022%0.224CC..  trans-63.7136.5167.300000110.8T54 G56 Y84T54-A79 VanDerWaalsContact O-CB 3.31Å; T54-A79 WeakPolarHBondContact O-CB 3.5Å; G56-A79 WeakPolarHBondContact O-CB 3.37Å; G56-A79 PolarHBondContact O-N 2.94Å; A79-Y84 HydrophobicContact CB-CD2 3.63Å; A79-Y84 HydrophobicContact CB-CG 4.08Å
80G75.7Confident86.3Confident9 Ų948.9 Ų48.99%0.09324%0.237CC..  trans-95.63.5178.100000115G29 S31 T78G29-G80 VanDerWaalsContact O-CA 3.24Å; G29-G80 WeakPolarHBondContact O-CA 3.43Å; S31-G80 PolarHBondContact N-O 2.98Å; T78-G80 PolarHBondContact O-N 3.39Å
81Q80.4Confident86Confident67 Ų6751.1 Ų51.131%0.31325%0.245SC..SBendtrans-83.3142.3178.7-62.5-72.116.800110.5S31 R83 Y84S31-Q81 PolarHBondContact OG-NE2 2.94Å; Q81-R83 VanDerWaalsContact C-N 3.28Å; Q81-R83 PolarHBondContact O-N 3.42Å; Q81-Y84 HydrophobicContact CB-CD2 3.9Å; Q81-Y84 HydrophobicContact CB-CE2 4.34Å; Q81-Y84 PolarHBondContact O-N 3.23Å; Q81-Y84 VanDerWaalsContact O-N 3.08Å
82E72.7Confident85.8Confident129 Ų12951 Ų5160%0.60325%0.245SC*.G310 helixtrans-62.4-35.8-175.697.7-64.9175.300112.2Y84 R85E82-Y84 PolarHBondContact O-N 2.76Å; E82-R85 WeakPolarHBondContact O-CB 3.27Å; E82-R85 PolarHBondContact O-N 3.16Å
83R78.4Confident85.5Confident195 Ų19559.4 Ų59.474%0.73628%0.276SS*.G310 helixtrans-60.6-19.2177.6-62.9-171.4-71.2168.1-0.2113.9Q81Q81-R83 VanDerWaalsContact C-N 3.28Å; Q81-R83 PolarHBondContact O-N 3.42Å
84Y78.7Confident85.2Confident64 Ų6461 Ų6125%0.25129%0.292SS..G310 helixtrans-101.53.4176.6-58.3-54.7000113.3A79 Q81 E82 T86 I87 T88A79-Y84 HydrophobicContact CB-CD2 3.63Å; A79-Y84 HydrophobicContact CB-CG 4.08Å; Q81-Y84 HydrophobicContact CB-CD2 3.9Å; Q81-Y84 HydrophobicContact CB-CE2 4.34Å; Q81-Y84 PolarHBondContact O-N 3.23Å; Q81-Y84 VanDerWaalsContact O-N 3.08Å; E82-Y84 PolarHBondContact O-N 2.76Å; Y84-T86 VanDerWaalsContact C-N 3.32Å; Y84-T86 PolarHBondContact O-N 2.76Å; Y84-I87 HydrophobicContact CD1-CD1 4.28Å; Y84-I87 WeakPolarHBondContact O-CA 3.43Å; Y84-I87 WeakPolarHBondContact O-CB 3.45Å; Y84-I87 PolarHBondContact O-N 2.98Å; Y84-T88 PolarHBondContact O-N 3.43Å; Y84-T88 PolarHBondContact O-OG1 2.96Å
85R76.6Confident85.1Confident94 Ų9458.5 Ų58.536%0.35528%0.28SS..Hα-helixtrans-57.5-40.2-173.2-166.7173.1-174.4177.10.9113.2E82 I87 T88 T89 Q119E82-R85 WeakPolarHBondContact O-CB 3.27Å; E82-R85 PolarHBondContact O-N 3.16Å; R85-I87 VanDerWaalsContact C-N 3.31Å; R85-I87 PolarHBondContact O-N 3.42Å; R85-T88 PolarHBondContact O-N 2.7Å; R85-T89 WeakPolarHBondContact O-CG2 3.27Å; R85-T89 PolarHBondContact O-N 3.2Å; R85-T89 PolarHBondContact O-OG1 3.2Å; R85-Q119 VanDerWaalsContact CG-OE1 3.29Å; R85-Q119 VanDerWaalsContact NE-NE2 3.19Å; R85-Q119 VanDerWaalsContact NH2-CD 3.3Å
86T78.9Confident85.1Confident120 Ų12059.9 Ų59.974%0.73629%0.287SS*.Hα-helixtrans-63.3-36176-520000112.7Y84 T89 A90Y84-T86 VanDerWaalsContact C-N 3.32Å; Y84-T86 PolarHBondContact O-N 2.76Å; T86-T89 PolarHBondContact O-OG1 2.91Å; T86-A90 PolarHBondContact O-N 3.41Å
87I77.2Confident85.2Confident78 Ų7857.5 Ų57.540%0.428%0.278SS..Hα-helixtrans-68.1-49175.4-60.9176.5000108.2I57 Y84 R85 T89 A90 Y91I57-I87 HydrophobicContact CD1-CG2 4.15Å; I57-I87 HydrophobicContact CG1-CG2 4.37Å; Y84-I87 HydrophobicContact CD1-CD1 4.28Å; Y84-I87 WeakPolarHBondContact O-CA 3.43Å; Y84-I87 WeakPolarHBondContact O-CB 3.45Å; Y84-I87 PolarHBondContact O-N 2.98Å; R85-I87 VanDerWaalsContact C-N 3.31Å; R85-I87 PolarHBondContact O-N 3.42Å; I87-T89 PolarHBondContact O-N 2.89Å; I87-A90 WeakPolarHBondContact O-CB 3.31Å; I87-A90 PolarHBondContact O-N 3.39Å; I87-Y91 HydrophobicContact CG2-CE2 3.92Å; I87-Y91 WeakPolarHBondContact O-CD2 3.44Å
88T80.8Confident85.4Confident0 Ų057.5 Ų57.50%028%0.278CS..Hα-helixtrans-54.8-47.2179.7-61.90000112.8I28 T78 Y84 R85 A90 Y91 Y92 W116I28-T88 HydrophobicContact CG2-CG2 4.37Å; T78-T88 HydrophobicContact CG2-CG2 4.06Å; Y84-T88 PolarHBondContact O-N 3.43Å; Y84-T88 PolarHBondContact O-OG1 2.96Å; R85-T88 PolarHBondContact O-N 2.7Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 3.13Å; T88-Y91 PolarHBondContact O-N 3.2Å; T88-Y92 HydrophobicContact CG2-CE1 3.64Å; T88-Y92 WeakPolarHBondContact O-CD1 3.32Å; T88-Y92 WeakPolarHBondContact O-CE1 3.46Å; T88-W116 HydrophobicContact CG2-CZ3 4.15Å
89T83Confident85.9Confident24 Ų2457.5 Ų57.515%0.14728%0.278CS..Hα-helixtrans-67.5-26.8-178.255.40000113.3R85 T86 I87 Y91 Y92 Q119 Y123R85-T89 WeakPolarHBondContact O-CG2 3.27Å; R85-T89 PolarHBondContact O-N 3.2Å; R85-T89 PolarHBondContact O-OG1 3.2Å; T86-T89 PolarHBondContact O-OG1 2.91Å; I87-T89 PolarHBondContact O-N 2.89Å; T89-Y91 PolarHBondContact O-N 3.03Å; T89-Y92 HydrophobicContact CG2-CE2 4.45Å; T89-Y92 WeakPolarHBondContact O-CB 3.15Å; T89-Y92 PolarHBondContact O-N 2.94Å; T89-Y92 VanDerWaalsContact O-N 3.12Å; T89-Q119 HydrophobicContact CG2-CG 4.47Å; T89-Y123 HydrophobicContact CG2-CD2 3.73Å; T89-Y123 HydrophobicContact CG2-CE2 3.94Å; T89-Y123 HydrophobicContact CG2-CG 4.49Å
90A86.2Confident86.5Confident74 Ų7457.5 Ų57.561%0.61228%0.278SS*.Hα-helixtrans-61.9-24.4175.500000113.1T86 I87 T88T86-A90 PolarHBondContact O-N 3.41Å; I87-A90 WeakPolarHBondContact O-CB 3.31Å; I87-A90 PolarHBondContact O-N 3.39Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 3.13Å
91Y88.7Confident87.6Confident81 Ų8157.1 Ų57.132%0.31827%0.274SS..THydrogen-bonded Turntrans-90.5-4.9179.5-66.9-102.4000113.4K24 I57 W76 I87 T88 T89 R93K24-Y91 PolarHBondContact NZ-O 2.96Å; I57-Y91 HydrophobicContact CD1-CD1 4.15Å; I57-Y91 HydrophobicContact CD1-CD2 3.1Å; I57-Y91 HydrophobicContact CD1-CE1 4.26Å; I57-Y91 HydrophobicContact CD1-CE2 3.27Å; I57-Y91 HydrophobicContact CD1-CG 3.58Å; I57-Y91 HydrophobicContact CG1-CE2 4.43Å; W76-Y91 HydrophobicContact CD2-CD1 4.32Å; W76-Y91 AromaticContact CE3-CD1 3.71Å; W76-Y91 HydrophobicContact CE3-CD1 3.71Å; W76-Y91 AromaticContact CE3-CE1 3.93Å; W76-Y91 HydrophobicContact CE3-CE1 3.93Å; W76-Y91 HydrophobicContact CH2-CD1 4.04Å; W76-Y91 AromaticContact CH2-CE1 3.93Å; W76-Y91 HydrophobicContact CH2-CE1 3.93Å; W76-Y91 AromaticContact CZ3-CD1 3.55Å; W76-Y91 HydrophobicContact CZ3-CD1 3.55Å; W76-Y91 AromaticContact CZ3-CE1 3.36Å; W76-Y91 HydrophobicContact CZ3-CE1 3.36Å; I87-Y91 HydrophobicContact CG2-CE2 3.92Å; I87-Y91 WeakPolarHBondContact O-CD2 3.44Å; T88-Y91 PolarHBondContact O-N 3.2Å; T89-Y91 PolarHBondContact O-N 3.03Å; Y91-R93 VanDerWaalsContact C-N 3.26Å; Y91-R93 PolarHBondContact O-N 2.91Å
92Y92.5Very high88.4Confident0 Ų053.9 Ų53.90%026%0.259CS..  trans-68.6-29-178-7620.6000111.8L26 I28 T88 T89 G94 A95 F98 W116 Q119 I120L26-Y92 HydrophobicContact CD2-CD1 3.5Å; L26-Y92 HydrophobicContact CD2-CE1 3.9Å; L26-Y92 HydrophobicContact CD2-CG 4.5Å; I28-Y92 WeakPolarHBondContact CD1-OH 3.3Å; I28-Y92 HydrophobicContact CG2-CE1 3.96Å; T88-Y92 HydrophobicContact CG2-CE1 3.64Å; T88-Y92 WeakPolarHBondContact O-CD1 3.32Å; T88-Y92 WeakPolarHBondContact O-CE1 3.46Å; T89-Y92 HydrophobicContact CG2-CE2 4.45Å; T89-Y92 WeakPolarHBondContact O-CB 3.15Å; T89-Y92 PolarHBondContact O-N 2.94Å; T89-Y92 VanDerWaalsContact O-N 3.12Å; Y92-G94 PolarHBondContact O-N 3.37Å; Y92-A95 VanDerWaalsContact O-CB 3.24Å; Y92-A95 WeakPolarHBondContact O-CB 3.35Å; Y92-A95 PolarHBondContact O-N 2.89Å; Y92-A95 VanDerWaalsContact O-N 3.09Å; Y92-F98 AromaticContact CD1-CE1 3.81Å; Y92-F98 HydrophobicContact CD1-CE1 3.81Å; Y92-F98 HydrophobicContact CD1-CZ 4.31Å; Y92-F98 HydrophobicContact CD2-CE1 4.07Å; Y92-F98 HydrophobicContact CD2-CZ 4.19Å; Y92-F98 AromaticContact CE1-CE1 3.97Å; Y92-F98 HydrophobicContact CE1-CE1 3.97Å; Y92-F98 HydrophobicContact CE2-CE1 4.23Å; Y92-F98 AromaticContact CG-CE1 3.86Å; Y92-F98 HydrophobicContact CG-CE1 3.86Å; Y92-F98 AromaticContact CG-CZ 3.96Å; Y92-F98 HydrophobicContact CG-CZ 3.96Å; Y92-W116 WeakPolarHBondContact OH-CZ3 2.85Å; Y92-Q119 HydrophobicContact CE2-CB 3.83Å; Y92-I120 HydrophobicContact CE2-CG1 4.11Å
93R90.2Very high89.7Confident211 Ų21148 Ų4880%0.79623%0.231SC*.THydrogen-bonded Turntrans-58.9123.3175.2-173.3176.7171.983.81.4110.3K24 Y91 A95K24-R93 PolarHBondContact NZ-O 2.98Å; Y91-R93 VanDerWaalsContact C-N 3.26Å; Y91-R93 PolarHBondContact O-N 2.91Å; R93-A95 VanDerWaalsContact C-N 3.31Å; R93-A95 PolarHBondContact O-N 2.95Å
94G91.4Very high90.6Very high33 Ų3338.7 Ų38.734%0.3420%0.196SC..THydrogen-bonded Turntrans75.211179.500000115.2K24 Y92 M96 W125K24-G94 WeakPolarHBondContact CB-O 3.42Å; K24-G94 VanDerWaalsContact CD-O 3.26Å; K24-G94 WeakPolarHBondContact CD-O 3.35Å; Y92-G94 PolarHBondContact O-N 3.37Å; G94-M96 PolarHBondContact O-N 2.66Å; G94-W125 VanDerWaalsContact CA-CE2 3.47Å; G94-W125 WeakPolarHBondContact O-CZ2 3.44Å
95A95.5Very high91.6Very high0 Ų037.2 Ų37.20%019%0.194CC..  trans-75.5105.517000000113.7K24 L26 Y92 R93 G97 F98 W125 A128K24-A95 HydrophobicContact CD-CB 4.47Å; K24-A95 CarbonylContact O-C 3.57Å; L26-A95 HydrophobicContact CD1-CB 3.52Å; L26-A95 HydrophobicContact CD2-CB 4.26Å; L26-A95 HydrophobicContact CG-CB 4.36Å; Y92-A95 VanDerWaalsContact O-CB 3.24Å; Y92-A95 WeakPolarHBondContact O-CB 3.35Å; Y92-A95 PolarHBondContact O-N 2.89Å; Y92-A95 VanDerWaalsContact O-N 3.09Å; R93-A95 VanDerWaalsContact C-N 3.31Å; R93-A95 PolarHBondContact O-N 2.95Å; A95-G97 VanDerWaalsContact C-N 3.28Å; A95-G97 PolarHBondContact O-N 2.83Å; A95-F98 HydrophobicContact CB-CD2 4.43Å; A95-F98 HydrophobicContact CB-CE1 4.08Å; A95-F98 HydrophobicContact CB-CE2 3.59Å; A95-F98 HydrophobicContact CB-CZ 3.39Å; A95-W125 VanDerWaalsContact C-CE2 3.44Å; A95-W125 VanDerWaalsContact O-CE2 3.27Å; A95-W125 PolarHBondContact O-NE1 2.56Å; A95-A128 WeakPolarHBondContact O-CB 3.34Å
96M96.4Very high92.6Very high28 Ų2835.2 Ų35.214%0.13819%0.19CC..  trans-69.8-31.1-175.3-67174.883.300112.1F23 K24 G94 W125 Q129 I183 M187F23-M96 HydrophobicContact CB-SD 4.09Å; F23-M96 HydrophobicContact CD1-CE 3.56Å; F23-M96 HydrophobicContact CD1-SD 3.53Å; F23-M96 VanDerWaalsContact CD1-SD 3.53Å; F23-M96 HydrophobicContact CE1-CE 3.8Å; F23-M96 HydrophobicContact CE1-SD 4.35Å; F23-M96 HydrophobicContact CG-CE 4.38Å; F23-M96 HydrophobicContact CG-SD 4.1Å; K24-M96 PolarHBondContact O-N 3.31Å; G94-M96 PolarHBondContact O-N 2.66Å; M96-W125 VanDerWaalsContact CA-CZ2 3.41Å; M96-W125 HydrophobicContact CB-CH2 4.26Å; M96-W125 HydrophobicContact CB-CZ2 3.95Å; M96-W125 HydrophobicContact CG-CH2 3.24Å; M96-W125 HydrophobicContact CG-CZ2 3.27Å; M96-W125 HydrophobicContact CG-CZ3 4.46Å; M96-W125 VanDerWaalsContact N-CZ2 3.26Å; M96-W125 HydrophobicContact SD-CH2 4.37Å; M96-Q129 PolarHBondContact O-N 2.86Å; M96-I183 HydrophobicContact CB-CD1 3.96Å; M96-I183 HydrophobicContact CB-CG1 4.34Å; M96-I183 HydrophobicContact CB-CG2 4.19Å; M96-I183 HydrophobicContact CE-CG2 3.51Å; M96-M187 HydrophobicContact CE-CE 4.4Å; M96-M187 HydrophobicContact CE-CG 4.17Å; M96-M187 HydrophobicContact CE-SD 3.42Å; M96-M187 WeakPolarHBondContact CE-SD 3.26Å
97G97.7Very high93.5Very high0 Ų032.4 Ų32.40%017%0.169CC..EExtended strand (participates in β ladder)trans-136.3146.9-178.700000112.4K24 I25 L26 A95 Q129K24-G97 PolarHBondContact O-N 2.89Å; I25-G97 CarbonylContact C-O 3.59Å; I25-G97 VanDerWaalsContact CA-O 3.3Å; I25-G97 WeakPolarHBondContact CA-O 3.47Å; L26-G97 PolarHBondContact N-O 2.95Å; A95-G97 VanDerWaalsContact C-N 3.28Å; A95-G97 PolarHBondContact O-N 2.83Å; G97-Q129 CarbonylContact C-O 3.47Å; G97-Q129 VanDerWaalsContact CA-O 3.24Å; G97-Q129 WeakPolarHBondContact CA-O 3.25Å
98F98.2Very high94.5Very high0 Ų035.5 Ų35.50%018%0.182CC..EExtended strand (participates in β ladder)trans-124.4133.7170.5-67.8-95.6000109.8L26 I28 Y92 A95 I120 A128 Q129 V130 L131L26-F98 HydrophobicContact CB-CD1 3.8Å; L26-F98 HydrophobicContact CB-CE1 3.92Å; L26-F98 HydrophobicContact CD2-CE1 3.8Å; L26-F98 HydrophobicContact CD2-CZ 4.47Å; L26-F98 HydrophobicContact CG-CE1 4.42Å; L26-F98 CarbonylContact O-C 3.59Å; L26-F98 WeakPolarHBondContact O-CA 3.29Å; I28-F98 HydrophobicContact CD1-CD1 3.99Å; I28-F98 HydrophobicContact CG1-CD1 4.36Å; I28-F98 HydrophobicContact CG2-CD1 4.42Å; Y92-F98 AromaticContact CD1-CE1 3.81Å; Y92-F98 HydrophobicContact CD1-CE1 3.81Å; Y92-F98 HydrophobicContact CD1-CZ 4.31Å; Y92-F98 HydrophobicContact CD2-CE1 4.07Å; Y92-F98 HydrophobicContact CD2-CZ 4.19Å; Y92-F98 AromaticContact CE1-CE1 3.97Å; Y92-F98 HydrophobicContact CE1-CE1 3.97Å; Y92-F98 HydrophobicContact CE2-CE1 4.23Å; Y92-F98 AromaticContact CG-CE1 3.86Å; Y92-F98 HydrophobicContact CG-CE1 3.86Å; Y92-F98 AromaticContact CG-CZ 3.96Å; Y92-F98 HydrophobicContact CG-CZ 3.96Å; A95-F98 HydrophobicContact CB-CD2 4.43Å; A95-F98 HydrophobicContact CB-CE1 4.08Å; A95-F98 HydrophobicContact CB-CE2 3.59Å; A95-F98 HydrophobicContact CB-CZ 3.39Å; F98-I120 HydrophobicContact CB-CD1 4.13Å; F98-I120 HydrophobicContact CD1-CD1 4.28Å; F98-I120 HydrophobicContact CD1-CG1 4.09Å; F98-I120 HydrophobicContact CD2-CG2 3.86Å; F98-I120 HydrophobicContact CE1-CG1 4.26Å; F98-I120 HydrophobicContact CE2-CG2 3.81Å; F98-I120 HydrophobicContact CG-CD1 4.13Å; F98-I120 HydrophobicContact CG-CG1 4.27Å; F98-I120 HydrophobicContact CG-CG2 4.31Å; F98-I120 HydrophobicContact CZ-CG2 4.21Å; F98-A128 HydrophobicContact CD2-CB 4.03Å; F98-A128 HydrophobicContact CE2-CB 3.73Å; F98-Q129 PolarHBondContact N-O 2.94Å; F98-V130 HydrophobicContact CB-CB 4.46Å; F98-V130 HydrophobicContact CB-CG1 4.1Å; F98-V130 HydrophobicContact CB-CG2 4.16Å; F98-V130 HydrophobicContact CD2-CG2 4.37Å; F98-V130 WeakPolarHBondContact O-CA 3.41Å; F98-L131 PolarHBondContact O-N 2.79Å
99I98.7Very high95.4Very high0 Ų035.7 Ų35.70%018%0.183CC..EExtended strand (participates in β ladder)trans-102.2103.9162-60.9177.2000105.8I25 L26 I27 I28 F38 M101 V133 T175 F176 L179I25-I99 HydrophobicContact CG2-CD1 4.41Å; I25-I99 HydrophobicContact CG2-CG1 4.38Å; L26-I99 PolarHBondContact O-N 3.05Å; I27-I99 WeakPolarHBondContact CA-O 3.49Å; I27-I99 HydrophobicContact CG1-CB 4.42Å; I27-I99 HydrophobicContact CG1-CD1 4.49Å; I27-I99 HydrophobicContact CG2-CB 4.26Å; I27-I99 HydrophobicContact CG2-CG2 4.25Å; I28-I99 PolarHBondContact N-O 3.24Å; F38-I99 HydrophobicContact CE1-CD1 4.44Å; I99-M101 HydrophobicContact CG2-CE 4.17Å; I99-V133 HydrophobicContact CG2-CB 4.37Å; I99-V133 HydrophobicContact CG2-CG2 3.7Å; I99-T175 HydrophobicContact CD1-CG2 4.02Å; I99-T175 HydrophobicContact CG1-CG2 4.3Å; I99-T175 HydrophobicContact CG2-CG2 4.35Å; I99-F176 HydrophobicContact CD1-CD1 3.82Å; I99-F176 HydrophobicContact CD1-CD2 4.35Å; I99-F176 HydrophobicContact CD1-CE1 3.52Å; I99-F176 HydrophobicContact CD1-CE2 4.1Å; I99-F176 HydrophobicContact CD1-CG 4.22Å; I99-F176 HydrophobicContact CD1-CZ 3.68Å; I99-L179 HydrophobicContact CD1-CD2 4.3Å; I99-L179 HydrophobicContact CG1-CD2 3.73Å
100L98.3Very high96.1Very high0 Ų035.3 Ų35.30%018%0.179CC..EExtended strand (participates in β ladder)trans-91.9115.9175.8175.351.8000108.8I28 V113 W116 I120 V130 L131 L132 V133 F159I28-L100 HydrophobicContact CD1-CD1 4.01Å; I28-L100 HydrophobicContact CG1-CB 4.26Å; I28-L100 HydrophobicContact CG1-CD1 3.87Å; L100-V113 HydrophobicContact CD2-CG1 3.77Å; L100-V113 HydrophobicContact CG-CG1 4.34Å; L100-W116 HydrophobicContact CD1-CB 3.39Å; L100-W116 HydrophobicContact CD1-CG 3.77Å; L100-W116 HydrophobicContact CD2-CB 3.96Å; L100-W116 HydrophobicContact CG-CB 4.35Å; L100-I120 HydrophobicContact CD2-CD1 4.4Å; L100-V130 HydrophobicContact CB-CG1 4.19Å; L100-L131 PolarHBondContact N-O 2.86Å; L100-L132 HydrophobicContact CB-CD1 4.41Å; L100-L132 HydrophobicContact CD2-CD1 4.37Å; L100-L132 HydrophobicContact CG-CD1 4Å; L100-L132 CarbonylContact O-C 3.55Å; L100-L132 WeakPolarHBondContact O-CA 3.48Å; L100-L132 WeakPolarHBondContact O-CD1 3.39Å; L100-V133 PolarHBondContact O-N 2.85Å; L100-F159 HydrophobicContact CD2-CE2 4.2Å
101M98.6Very high96.7Very high1 Ų135.9 Ų35.91%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-114.8136-170.6-166173.4-73.500112.2I27 I28 G29 V33 K35 F38 I99 V133 N135I27-M101 HydrophobicContact CG2-CE 4.44Å; I28-M101 PolarHBondContact O-N 2.97Å; G29-M101 WeakPolarHBondContact CA-O 3.31Å; V33-M101 HydrophobicContact CB-CG 4.4Å; V33-M101 HydrophobicContact CG2-CB 4Å; V33-M101 HydrophobicContact CG2-CG 3.95Å; V33-M101 HydrophobicContact CG2-SD 4.25Å; K35-M101 HydrophobicContact CG-CB 4.41Å; K35-M101 HydrophobicContact CG-SD 4.31Å; F38-M101 HydrophobicContact CB-CE 3.77Å; F38-M101 HydrophobicContact CB-SD 4.43Å; F38-M101 HydrophobicContact CD1-CE 3.7Å; F38-M101 HydrophobicContact CD2-CE 3.68Å; F38-M101 HydrophobicContact CE1-CE 4.13Å; F38-M101 HydrophobicContact CE2-CE 4.12Å; F38-M101 HydrophobicContact CG-CE 3.45Å; F38-M101 VanDerWaalsContact CG-CE 3.45Å; F38-M101 HydrophobicContact CZ-CE 4.32Å; I99-M101 HydrophobicContact CG2-CE 4.17Å; M101-V133 WeakPolarHBondContact CA-O 3.25Å; M101-V133 HydrophobicContact CE-CB 4.37Å; M101-V133 HydrophobicContact CE-CG1 4.12Å; M101-V133 HydrophobicContact CG-CB 4.42Å; M101-N135 HydrophobicContact CE-CB 4.43Å; M101-N135 HydrophobicContact CG-CB 3.69Å; M101-N135 HydrophobicContact SD-CB 3.64Å
102Y98.7Very high97.1Very high0 Ų032.8 Ų32.80%016%0.163CC..EExtended strand (participates in β ladder)trans-122.6168.9163.373.3-86.6000109.8I104 F110 V113 L132 V133 G134 N135 V145 G150 F161Y102-I104 HydrophobicContact CE2-CG2 4.03Å; Y102-F110 HydrophobicContact CD1-CD2 4.21Å; Y102-F110 HydrophobicContact CD2-CB 3.92Å; Y102-F110 AromaticContact CD2-CD2 3.94Å; Y102-F110 HydrophobicContact CD2-CD2 3.94Å; Y102-F110 HydrophobicContact CD2-CG 4.42Å; Y102-F110 HydrophobicContact CE1-CD2 4.06Å; Y102-F110 HydrophobicContact CE1-CE2 4.48Å; Y102-F110 HydrophobicContact CE2-CB 4.41Å; Y102-F110 AromaticContact CE2-CD2 3.8Å; Y102-F110 HydrophobicContact CE2-CD2 3.8Å; Y102-F110 HydrophobicContact CG-CB 4.31Å; Y102-F110 HydrophobicContact CG-CD2 4.15Å; Y102-F110 AromaticContact CZ-CD2 3.86Å; Y102-V113 HydrophobicContact CD1-CG2 4.1Å; Y102-V113 HydrophobicContact CG-CG2 4.32Å; Y102-L132 HydrophobicContact CD1-CD1 3.92Å; Y102-L132 HydrophobicContact CD1-CG 4.32Å; Y102-L132 HydrophobicContact CE1-CD1 4.22Å; Y102-L132 HydrophobicContact CE1-CD2 4.26Å; Y102-L132 HydrophobicContact CE1-CG 4.11Å; Y102-V133 WeakPolarHBondContact CD1-O 3.21Å; Y102-V133 PolarHBondContact N-O 2.94Å; Y102-G134 VanDerWaalsContact CE1-CA 3.45Å; Y102-G134 VanDerWaalsContact CZ-CA 3.41Å; Y102-N135 PolarHBondContact O-N 3.3Å; Y102-V145 HydrophobicContact CE2-CB 4.06Å; Y102-V145 HydrophobicContact CE2-CG1 3.79Å; Y102-V145 HydrophobicContact CE2-CG2 4.41Å; Y102-G150 WeakPolarHBondContact OH-CA 3.36Å; Y102-F161 HydrophobicContact CE1-CE2 4.01Å; Y102-F161 WeakPolarHBondContact OH-CE2 3.45Å
103D98.6Very high97.3Very high5 Ų532.8 Ų32.83%0.02716%0.163CC..EExtended strand (participates in β ladder)trans-105.6125.3176.7174.72.7000109.4V33 T105 N106 S109 K136V33-D103 HydrophobicContact CB-CB 4.15Å; V33-D103 HydrophobicContact CG1-CB 4.1Å; D103-T105 PolarHBondContact O-N 2.86Å; D103-T105 VanDerWaalsContact O-N 3.14Å; D103-T105 PolarHBondContact OD1-N 2.9Å; D103-T105 PolarHBondContact OD1-OG1 3.03Å; D103-T105 PolarHBondContact OD2-OG1 2.91Å; D103-N106 HydrophobicContact CB-CB 3.97Å; D103-N106 PolarHBondContact O-N 2.87Å; D103-S109 PolarHBondContact N-OG 3.01Å; D103-S109 PolarHBondContact O-OG 3.29Å; D103-K136 WeakPolarHBondContact OD1-CD 3.41Å; D103-K136 WeakPolarHBondContact OD2-CD 3.49Å; D103-K136 WeakPolarHBondContact OD2-CE 3.35Å; D103-K136 IonicContact OD2-NZ 3.13Å; D103-K136 PolarHBondContact OD2-NZ 2.8Å
104I98.8Very high97.6Very high0 Ų027.6 Ų27.60%015%0.148CC..THydrogen-bonded Turntrans-64.4-17.8-176.765.5149000113.6Y102 N135 K136 C137 R143 V144 V145Y102-I104 HydrophobicContact CE2-CG2 4.03Å; I104-N135 WeakPolarHBondContact CG1-O 3.45Å; I104-N135 PolarHBondContact N-O 2.83Å; I104-K136 WeakPolarHBondContact CD1-O 3.27Å; I104-K136 HydrophobicContact CG1-CB 4.48Å; I104-K136 WeakPolarHBondContact CG1-O 3.23Å; I104-C137 HydrophobicContact CD1-CB 4.46Å; I104-R143 HydrophobicContact CD1-CB 4.18Å; I104-R143 HydrophobicContact CD1-CG 4.18Å; I104-R143 VanDerWaalsContact CD1-CZ 3.42Å; I104-V144 PolarHBondContact O-N 3.41Å; I104-V145 PolarHBondContact O-N 3.33Å
105T98.6Very high97.8Very high33 Ų3330.3 Ų30.320%0.20216%0.155CC..THydrogen-bonded Turntrans-94.20.3176.674.20000112.4D103 M139 E142 V144D103-T105 PolarHBondContact O-N 2.86Å; D103-T105 VanDerWaalsContact O-N 3.14Å; D103-T105 PolarHBondContact OD1-N 2.9Å; D103-T105 PolarHBondContact OD1-OG1 3.03Å; D103-T105 PolarHBondContact OD2-OG1 2.91Å; T105-M139 HydrophobicContact CG2-CB 3.65Å; T105-M139 HydrophobicContact CG2-CE 4.21Å; T105-M139 HydrophobicContact CG2-SD 4.2Å; T105-E142 WeakPolarHBondContact CB-O 3.45Å; T105-E142 HydrophobicContact CG2-CB 3.79Å; T105-V144 VanDerWaalsContact C-CG2 3.42Å; T105-V144 WeakPolarHBondContact O-CG2 3.37Å
106N98.3Very high97.7Very high51 Ų5131 Ų3127%0.27316%0.157SC..  trans-128.8100.2-176.7-173-38.2000112.3D103 E108 S109 F110D103-N106 HydrophobicContact CB-CB 3.97Å; D103-N106 PolarHBondContact O-N 2.87Å; N106-E108 VanDerWaalsContact C-N 3.32Å; N106-E108 PolarHBondContact O-N 3.3Å; N106-E108 WeakPolarHBondContact OD1-CB 3.02Å; N106-E108 PolarHBondContact OD1-N 3.48Å; N106-S109 WeakPolarHBondContact O-CB 3.31Å; N106-S109 PolarHBondContact O-N 3.28Å; N106-S109 VanDerWaalsContact O-N 3.17Å; N106-S109 PolarHBondContact O-OG 2.9Å; N106-S109 PolarHBondContact OD1-N 3.26Å; N106-F110 PolarHBondContact O-N 2.67Å
107E98.3Very high97.7Very high62 Ų6229.7 Ų29.729%0.2915%0.151SC..Hα-helixtrans-58.9-36.8178.8-174.264.3-152.800113.3S109 F110 N111 V144 R149E107-S109 VanDerWaalsContact C-N 3.33Å; E107-S109 PolarHBondContact O-N 3.35Å; E107-F110 PolarHBondContact O-N 3.36Å; E107-N111 PolarHBondContact O-N 2.93Å; E107-N111 PolarHBondContact O-ND2 2.85Å; E107-N111 VanDerWaalsContact O-ND2 3.16Å; E107-V144 HydrophobicContact CB-CG2 4.03Å; E107-R149 IonicContact OE1-CZ 2.8Å; E107-R149 IonicContact OE1-NH1 3.71Å; E107-R149 PolarHBondContact OE1-NH1 3.09Å; E107-R149 IonicContact OE1-NH2 3.75Å; E107-R149 PolarHBondContact OE1-NH2 2.85Å; E107-R149 IonicContact OE2-CZ 3.31Å; E107-R149 IonicContact OE2-NH1 3.94Å; E107-R149 PolarHBondContact OE2-NH1 3.46Å; E107-R149 IonicContact OE2-NH2 3.44Å
108E97.9Very high97.5Very high143 Ų14333.6 Ų33.667%0.66818%0.175SC*.Hα-helixtrans-64.5-39.9178-173.9-175.6176.100111.3N106 F110 N111 A112N106-E108 VanDerWaalsContact C-N 3.32Å; N106-E108 PolarHBondContact O-N 3.3Å; N106-E108 WeakPolarHBondContact OD1-CB 3.02Å; N106-E108 PolarHBondContact OD1-N 3.48Å; E108-F110 VanDerWaalsContact C-N 3.28Å; E108-F110 PolarHBondContact O-N 3Å; E108-N111 PolarHBondContact O-N 3.11Å; E108-A112 WeakPolarHBondContact O-CB 3.33Å; E108-A112 PolarHBondContact O-N 3.36Å
109S98.1Very high97.2Very high3 Ų334.1 Ų34.12%0.02118%0.177CC..Hα-helixtrans-64.4-34176.981.30000112.7D103 N106 E107D103-S109 PolarHBondContact N-OG 3.01Å; D103-S109 PolarHBondContact O-OG 3.29Å; N106-S109 WeakPolarHBondContact O-CB 3.31Å; N106-S109 PolarHBondContact O-N 3.28Å; N106-S109 VanDerWaalsContact O-N 3.17Å; N106-S109 PolarHBondContact O-OG 2.9Å; N106-S109 PolarHBondContact OD1-N 3.26Å; E107-S109 VanDerWaalsContact C-N 3.33Å; E107-S109 PolarHBondContact O-N 3.35Å
110F98.7Very high97Very high16 Ų1634.4 Ų34.47%0.0718%0.178CC..Hα-helixtrans-71.2-45.1174.6175.8-103000111.6Y102 N106 E107 E108 A112 V113 V145 R149 L153Y102-F110 HydrophobicContact CD1-CD2 4.21Å; Y102-F110 HydrophobicContact CD2-CB 3.92Å; Y102-F110 AromaticContact CD2-CD2 3.94Å; Y102-F110 HydrophobicContact CD2-CD2 3.94Å; Y102-F110 HydrophobicContact CD2-CG 4.42Å; Y102-F110 HydrophobicContact CE1-CD2 4.06Å; Y102-F110 HydrophobicContact CE1-CE2 4.48Å; Y102-F110 HydrophobicContact CE2-CB 4.41Å; Y102-F110 AromaticContact CE2-CD2 3.8Å; Y102-F110 HydrophobicContact CE2-CD2 3.8Å; Y102-F110 HydrophobicContact CG-CB 4.31Å; Y102-F110 HydrophobicContact CG-CD2 4.15Å; Y102-F110 AromaticContact CZ-CD2 3.86Å; N106-F110 PolarHBondContact O-N 2.67Å; E107-F110 PolarHBondContact O-N 3.36Å; E108-F110 VanDerWaalsContact C-N 3.28Å; E108-F110 PolarHBondContact O-N 3Å; F110-A112 PolarHBondContact O-N 3.42Å; F110-V113 WeakPolarHBondContact O-CB 3.47Å; F110-V113 VanDerWaalsContact O-CG2 3.25Å; F110-V113 WeakPolarHBondContact O-CG2 3.47Å; F110-V113 PolarHBondContact O-N 2.92Å; F110-V145 HydrophobicContact CB-CG1 4.38Å; F110-V145 HydrophobicContact CB-CG2 3.75Å; F110-V145 HydrophobicContact CD1-CG1 4.22Å; F110-V145 HydrophobicContact CD1-CG2 4.47Å; F110-V145 HydrophobicContact CD2-CG1 3.67Å; F110-V145 HydrophobicContact CE1-CG1 4.46Å; F110-V145 HydrophobicContact CE2-CG1 3.93Å; F110-V145 HydrophobicContact CG-CG1 3.82Å; F110-V145 HydrophobicContact CG-CG2 4.03Å; F110-V145 HydrophobicContact CZ-CG1 4.31Å; F110-R149 HydrophobicContact CZ-CB 4.09Å; F110-L153 HydrophobicContact CD2-CD2 4.09Å; F110-L153 HydrophobicContact CE1-CD2 4.31Å; F110-L153 HydrophobicContact CE2-CB 4.04Å; F110-L153 HydrophobicContact CE2-CD2 3.45Å; F110-L153 VanDerWaalsContact CE2-CD2 3.45Å; F110-L153 HydrophobicContact CE2-CG 4.39Å; F110-L153 HydrophobicContact CZ-CB 3.9Å; F110-L153 HydrophobicContact CZ-CD2 3.6Å; F110-L153 HydrophobicContact CZ-CG 4.37Å
111N98Very high96.7Very high87 Ų8740.7 Ų40.747%0.46521%0.206SC..Hα-helixtrans-62.1-34178-69.9-33.1000112.2E107 E108 V113E107-N111 PolarHBondContact O-N 2.93Å; E107-N111 PolarHBondContact O-ND2 2.85Å; E107-N111 VanDerWaalsContact O-ND2 3.16Å; E108-N111 PolarHBondContact O-N 3.11Å; N111-V113 PolarHBondContact O-N 3.01Å
112A96.9Very high96.5Very high15 Ų1544.8 Ų44.812%0.12423%0.231CC..THydrogen-bonded Turntrans-69.6-12.8176.500000114.5N30 E108 F110 Q114 D115 W116N30-A112 VanDerWaalsContact OD1-CB 3.3Å; N30-A112 WeakPolarHBondContact OD1-CB 3.24Å; E108-A112 WeakPolarHBondContact O-CB 3.33Å; E108-A112 PolarHBondContact O-N 3.36Å; F110-A112 PolarHBondContact O-N 3.42Å; A112-Q114 PolarHBondContact O-N 2.99Å; A112-D115 WeakPolarHBondContact O-CB 3.24Å; A112-D115 PolarHBondContact O-N 3.5Å; A112-D115 VanDerWaalsContact O-N 3.11Å; A112-W116 PolarHBondContact O-N 3.31Å; A112-W116 VanDerWaalsContact O-N 3.08Å
113V97.9Very high96.1Very high0 Ų050.7 Ų50.70%025%0.254CS..Hα-helixtrans-57.2-37-179.5168.60000111.8L100 Y102 F110 N111 D115 W116 S117 L132 L153 L157L100-V113 HydrophobicContact CD2-CG1 3.77Å; L100-V113 HydrophobicContact CG-CG1 4.34Å; Y102-V113 HydrophobicContact CD1-CG2 4.1Å; Y102-V113 HydrophobicContact CG-CG2 4.32Å; F110-V113 WeakPolarHBondContact O-CB 3.47Å; F110-V113 VanDerWaalsContact O-CG2 3.25Å; F110-V113 WeakPolarHBondContact O-CG2 3.47Å; F110-V113 PolarHBondContact O-N 2.92Å; N111-V113 PolarHBondContact O-N 3.01Å; V113-D115 PolarHBondContact O-N 3.08Å; V113-W116 PolarHBondContact O-N 3.11Å; V113-S117 WeakPolarHBondContact O-CB 3.24Å; V113-S117 PolarHBondContact O-N 3.35Å; V113-L132 HydrophobicContact CG1-CD1 3.6Å; V113-L132 HydrophobicContact CG1-CD2 4.35Å; V113-L132 HydrophobicContact CG2-CD1 4.01Å; V113-L153 HydrophobicContact CB-CD2 3.84Å; V113-L153 HydrophobicContact CG1-CD2 3.67Å; V113-L153 HydrophobicContact CG1-CG 4.37Å; V113-L153 HydrophobicContact CG2-CD2 4.48Å; V113-L157 HydrophobicContact CG1-CD1 3.88Å
114Q96.5Very high95.7Very high103 Ų10351.7 Ų51.748%0.48126%0.261SS..Hα-helixtrans-64.6-40.2178.4-66.6-176.538.100112A112 S117 T118 L153A112-Q114 PolarHBondContact O-N 2.99Å; Q114-S117 PolarHBondContact O-N 2.68Å; Q114-T118 WeakPolarHBondContact O-CB 3.27Å; Q114-T118 PolarHBondContact O-N 2.83Å; Q114-T118 PolarHBondContact O-OG1 2.86Å; Q114-L153 HydrophobicContact CG-CD1 4.08Å
115D94.2Very high95.1Very high90 Ų9056.4 Ų56.448%0.48128%0.279SS..Hα-helixtrans-66.7-38176.4-75.7-0.5000111.8A112 V113 Q119A112-D115 WeakPolarHBondContact O-CB 3.24Å; A112-D115 PolarHBondContact O-N 3.5Å; A112-D115 VanDerWaalsContact O-N 3.11Å; V113-D115 PolarHBondContact O-N 3.08Å; D115-Q119 WeakPolarHBondContact O-CG 3.31Å; D115-Q119 PolarHBondContact O-N 2.87Å; D115-Q119 PolarHBondContact O-NE2 3.39Å
116W94.7Very high94.3Very high14 Ų1462.6 Ų62.65%0.05331%0.311CS..Hα-helixtrans-66-45.9172.8-72.5111.3000111.7I28 N30 T88 Y92 L100 A112 V113 T118 Q119 I120I28-W116 HydrophobicContact CB-CE3 4.36Å; I28-W116 HydrophobicContact CD1-CB 4.4Å; I28-W116 HydrophobicContact CD1-CE3 4.21Å; N30-W116 PolarHBondContact OD1-NE1 2.85Å; T88-W116 HydrophobicContact CG2-CZ3 4.15Å; Y92-W116 WeakPolarHBondContact OH-CZ3 2.85Å; L100-W116 HydrophobicContact CD1-CB 3.39Å; L100-W116 HydrophobicContact CD1-CG 3.77Å; L100-W116 HydrophobicContact CD2-CB 3.96Å; L100-W116 HydrophobicContact CG-CB 4.35Å; A112-W116 PolarHBondContact O-N 3.31Å; A112-W116 VanDerWaalsContact O-N 3.08Å; V113-W116 PolarHBondContact O-N 3.11Å; W116-T118 VanDerWaalsContact C-N 3.3Å; W116-T118 PolarHBondContact O-N 3.24Å; W116-Q119 WeakPolarHBondContact O-CB 3.46Å; W116-Q119 PolarHBondContact O-N 3.26Å; W116-Q119 VanDerWaalsContact O-N 3.13Å; W116-I120 WeakPolarHBondContact O-CG1 3.33Å; W116-I120 PolarHBondContact O-N 3.41Å
117S94.9Very high93.8Very high1 Ų164.2 Ų64.21%0.00732%0.32CS..Hα-helixtrans-57.2-43.2175.7-177.90000111.9V113 Q114 Q119 I120 K121 F159V113-S117 WeakPolarHBondContact O-CB 3.24Å; V113-S117 PolarHBondContact O-N 3.35Å; Q114-S117 PolarHBondContact O-N 2.68Å; S117-Q119 VanDerWaalsContact C-N 3.32Å; S117-Q119 PolarHBondContact O-N 3.08Å; S117-I120 PolarHBondContact O-N 2.98Å; S117-K121 WeakPolarHBondContact O-CG 3.37Å; S117-K121 PolarHBondContact O-N 3.37Å; S117-F159 VanDerWaalsContact OG-CZ 3.23Å; S117-F159 WeakPolarHBondContact OG-CZ 3.38Å
118T93.9Very high93.6Very high81 Ų8162 Ų6250%0.49731%0.312SS..Hα-helixtrans-61.3-40177.2-59.50000111.8Q114 W116 K121 T122Q114-T118 WeakPolarHBondContact O-CB 3.27Å; Q114-T118 PolarHBondContact O-N 2.83Å; Q114-T118 PolarHBondContact O-OG1 2.86Å; W116-T118 VanDerWaalsContact C-N 3.3Å; W116-T118 PolarHBondContact O-N 3.24Å; T118-K121 PolarHBondContact O-N 3.14Å; T118-T122 WeakPolarHBondContact O-CB 3.21Å; T118-T122 PolarHBondContact O-N 3.49Å; T118-T122 PolarHBondContact O-OG1 3.14Å
119Q92.2Very high93.6Very high12 Ų1257.1 Ų57.16%0.05629%0.289CS..Hα-helixtrans-65.8-41.4175.2-70.8166.590.100112.5R85 T89 Y92 D115 W116 S117 K121 T122 Y123R85-Q119 VanDerWaalsContact CG-OE1 3.29Å; R85-Q119 VanDerWaalsContact NE-NE2 3.19Å; R85-Q119 VanDerWaalsContact NH2-CD 3.3Å; T89-Q119 HydrophobicContact CG2-CG 4.47Å; Y92-Q119 HydrophobicContact CE2-CB 3.83Å; D115-Q119 WeakPolarHBondContact O-CG 3.31Å; D115-Q119 PolarHBondContact O-N 2.87Å; D115-Q119 PolarHBondContact O-NE2 3.39Å; W116-Q119 WeakPolarHBondContact O-CB 3.46Å; W116-Q119 PolarHBondContact O-N 3.26Å; W116-Q119 VanDerWaalsContact O-N 3.13Å; S117-Q119 VanDerWaalsContact C-N 3.32Å; S117-Q119 PolarHBondContact O-N 3.08Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 3.01Å; Q119-T122 PolarHBondContact O-N 3.42Å; Q119-Y123 HydrophobicContact CB-CD2 4.2Å; Q119-Y123 HydrophobicContact CB-CE2 4.49Å; Q119-Y123 HydrophobicContact CG-CE2 4.4Å; Q119-Y123 VanDerWaalsContact O-CD2 3.29Å; Q119-Y123 WeakPolarHBondContact O-CD2 3.28Å; Q119-Y123 PolarHBondContact O-N 2.62Å
120I94Very high93.6Very high5 Ų557.7 Ų57.73%0.02629%0.292CS..Hα-helixtrans-57.7-49.2175.5-61.2168.4000109.1I28 Y92 F98 L100 W116 S117 T122 S124 V130I28-I120 HydrophobicContact CD1-CD1 3.62Å; I28-I120 HydrophobicContact CD1-CG1 3.68Å; Y92-I120 HydrophobicContact CE2-CG1 4.11Å; F98-I120 HydrophobicContact CB-CD1 4.13Å; F98-I120 HydrophobicContact CD1-CD1 4.28Å; F98-I120 HydrophobicContact CD1-CG1 4.09Å; F98-I120 HydrophobicContact CD2-CG2 3.86Å; F98-I120 HydrophobicContact CE1-CG1 4.26Å; F98-I120 HydrophobicContact CE2-CG2 3.81Å; F98-I120 HydrophobicContact CG-CD1 4.13Å; F98-I120 HydrophobicContact CG-CG1 4.27Å; F98-I120 HydrophobicContact CG-CG2 4.31Å; F98-I120 HydrophobicContact CZ-CG2 4.21Å; L100-I120 HydrophobicContact CD2-CD1 4.4Å; W116-I120 WeakPolarHBondContact O-CG1 3.33Å; W116-I120 PolarHBondContact O-N 3.41Å; S117-I120 PolarHBondContact O-N 2.98Å; I120-T122 PolarHBondContact O-N 3.15Å; I120-S124 WeakPolarHBondContact CG2-OG 3.45Å; I120-S124 WeakPolarHBondContact O-CA 3.32Å; I120-S124 WeakPolarHBondContact O-CB 3.3Å; I120-S124 PolarHBondContact O-N 2.88Å; I120-S124 PolarHBondContact O-OG 3.32Å; I120-V130 HydrophobicContact CD1-CG1 3.94Å; I120-V130 HydrophobicContact CD1-CG2 4.07Å; I120-V130 HydrophobicContact CG2-CG2 4.02Å
121K93Very high93.6Very high132 Ų13257 Ų5757%0.57429%0.29SS*.Hα-helixtrans-62.5-30.5179.5-67.5176.9-177-179.20113.1S117 T118 Q119S117-K121 WeakPolarHBondContact O-CG 3.37Å; S117-K121 PolarHBondContact O-N 3.37Å; T118-K121 PolarHBondContact O-N 3.14Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 3.01Å
122T93.2Very high93.6Very high87 Ų8752.9 Ų52.953%0.53427%0.268SS..Hα-helixtrans-83.1-39.7-177.1-55.60000113.1T118 Q119 I120T118-T122 WeakPolarHBondContact O-CB 3.21Å; T118-T122 PolarHBondContact O-N 3.49Å; T118-T122 PolarHBondContact O-OG1 3.14Å; Q119-T122 PolarHBondContact O-N 3.42Å; I120-T122 PolarHBondContact O-N 3.15Å
123Y92Very high93.7Very high125 Ų12552.2 Ų52.249%0.4926%0.262SS..Hα-helixtrans-116-10.2-167.7-57.6-67.7000114.5T89 Q119T89-Y123 HydrophobicContact CG2-CD2 3.73Å; T89-Y123 HydrophobicContact CG2-CE2 3.94Å; T89-Y123 HydrophobicContact CG2-CG 4.49Å; Q119-Y123 HydrophobicContact CB-CD2 4.2Å; Q119-Y123 HydrophobicContact CB-CE2 4.49Å; Q119-Y123 HydrophobicContact CG-CE2 4.4Å; Q119-Y123 VanDerWaalsContact O-CD2 3.29Å; Q119-Y123 WeakPolarHBondContact O-CD2 3.28Å; Q119-Y123 PolarHBondContact O-N 2.62Å
124S90.4Very high93.7Very high25 Ų2552.2 Ų52.218%0.17526%0.262CS..SBendtrans-91.9-166.5172.587.60000110.4I120I120-S124 WeakPolarHBondContact CG2-OG 3.45Å; I120-S124 WeakPolarHBondContact O-CA 3.32Å; I120-S124 WeakPolarHBondContact O-CB 3.3Å; I120-S124 PolarHBondContact O-N 2.88Å; I120-S124 PolarHBondContact O-OG 3.32Å
125W84.8Confident93.8Very high99 Ų9947.4 Ų47.438%0.37524%0.24SC..  trans-115.7142.3-172.437.9-45.2000105.3G94 A95 M96 N127 A128G94-W125 VanDerWaalsContact CA-CE2 3.47Å; G94-W125 WeakPolarHBondContact O-CZ2 3.44Å; A95-W125 VanDerWaalsContact C-CE2 3.44Å; A95-W125 VanDerWaalsContact O-CE2 3.27Å; A95-W125 PolarHBondContact O-NE1 2.56Å; M96-W125 VanDerWaalsContact CA-CZ2 3.41Å; M96-W125 HydrophobicContact CB-CH2 4.26Å; M96-W125 HydrophobicContact CB-CZ2 3.95Å; M96-W125 HydrophobicContact CG-CH2 3.24Å; M96-W125 HydrophobicContact CG-CZ2 3.27Å; M96-W125 HydrophobicContact CG-CZ3 4.46Å; M96-W125 VanDerWaalsContact N-CZ2 3.26Å; M96-W125 HydrophobicContact SD-CH2 4.37Å; W125-N127 PolarHBondContact O-N 2.84Å; W125-A128 WeakPolarHBondContact O-CB 3.49Å; W125-A128 PolarHBondContact O-N 3.32Å
126D83.2Confident94Very high163 Ų16345.5 Ų45.587%0.87223%0.227SC*.THydrogen-bonded Turntrans-57-22.8-163.9-61.1-24.3000114.4
127N87.2Confident94.2Very high85 Ų8545.9 Ų45.946%0.45523%0.231SC..THydrogen-bonded Turntrans-92.16179.7-70.5-29.1000114.6W125 Q129W125-N127 PolarHBondContact O-N 2.84Å; N127-Q129 PolarHBondContact O-N 3.43Å; N127-Q129 PolarHBondContact O-NE2 2.82Å
128A94.4Very high94.4Very high15 Ų1547.7 Ų47.712%0.12424%0.241CC..  trans-66.2129.5177.700000111.2A95 F98 W125A95-A128 WeakPolarHBondContact O-CB 3.34Å; F98-A128 HydrophobicContact CD2-CB 4.03Å; F98-A128 HydrophobicContact CE2-CB 3.73Å; W125-A128 WeakPolarHBondContact O-CB 3.49Å; W125-A128 PolarHBondContact O-N 3.32Å
129Q96.9Very high94.6Very high41 Ų4146.2 Ų46.219%0.19223%0.229CC..EExtended strand (participates in β ladder)trans-89.1141.8-179.9-56.5-54.2-52.400110.3M96 G97 F98 N127 L179 V182 I183M96-Q129 PolarHBondContact O-N 2.86Å; G97-Q129 CarbonylContact C-O 3.47Å; G97-Q129 VanDerWaalsContact CA-O 3.24Å; G97-Q129 WeakPolarHBondContact CA-O 3.25Å; F98-Q129 PolarHBondContact N-O 2.94Å; N127-Q129 PolarHBondContact O-N 3.43Å; N127-Q129 PolarHBondContact O-NE2 2.82Å; Q129-L179 HydrophobicContact CB-CD1 3.9Å; Q129-V182 HydrophobicContact CB-CG1 4.01Å; Q129-V182 HydrophobicContact CG-CG1 3.73Å; Q129-I183 HydrophobicContact CB-CG1 4.14Å; Q129-I183 HydrophobicContact CG-CG1 4.01Å
130V97.8Very high94.8Very high15 Ų1550.8 Ų50.89%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-131.6128.5-176.4-170.40000110.1F98 L100 I120 F159F98-V130 HydrophobicContact CB-CB 4.46Å; F98-V130 HydrophobicContact CB-CG1 4.1Å; F98-V130 HydrophobicContact CB-CG2 4.16Å; F98-V130 HydrophobicContact CD2-CG2 4.37Å; F98-V130 WeakPolarHBondContact O-CA 3.41Å; L100-V130 HydrophobicContact CB-CG1 4.19Å; I120-V130 HydrophobicContact CD1-CG1 3.94Å; I120-V130 HydrophobicContact CD1-CG2 4.07Å; I120-V130 HydrophobicContact CG2-CG2 4.02Å; V130-F159 HydrophobicContact CB-CD1 3.67Å; V130-F159 HydrophobicContact CB-CD2 4.28Å; V130-F159 HydrophobicContact CB-CE1 3.66Å; V130-F159 HydrophobicContact CB-CE2 4.25Å; V130-F159 HydrophobicContact CB-CG 4Å; V130-F159 HydrophobicContact CB-CZ 3.95Å; V130-F159 HydrophobicContact CG1-CD1 4.09Å; V130-F159 HydrophobicContact CG1-CD2 3.76Å; V130-F159 HydrophobicContact CG1-CE1 4.03Å; V130-F159 HydrophobicContact CG1-CE2 3.67Å; V130-F159 HydrophobicContact CG1-CG 3.97Å; V130-F159 HydrophobicContact CG1-CZ 3.81Å; V130-F159 HydrophobicContact CG2-CD1 4.34Å; V130-F159 HydrophobicContact CG2-CE1 3.86Å; V130-F159 HydrophobicContact CG2-CZ 4.08Å
131L98.6Very high95Very high3 Ų358.9 Ų58.92%0.01629%0.294CS..EExtended strand (participates in β ladder)trans-107.1132.5165.7-59-172.3000109.5F98 L100 E160 F162 T175 R178 L179F98-L131 PolarHBondContact O-N 2.79Å; L100-L131 PolarHBondContact N-O 2.86Å; L131-E160 HydrophobicContact CD2-CB 3.43Å; L131-E160 VanDerWaalsContact CD2-CB 3.43Å; L131-E160 HydrophobicContact CD2-CG 4.42Å; L131-F162 HydrophobicContact CD1-CD2 4.29Å; L131-F162 HydrophobicContact CD1-CE2 4.04Å; L131-F162 HydrophobicContact CD2-CE2 4.42Å; L131-T175 HydrophobicContact CD1-CG2 3.9Å; L131-T175 WeakPolarHBondContact CD1-O 3.26Å; L131-R178 HydrophobicContact CD1-CB 4.35Å; L131-R178 HydrophobicContact CD1-CG 4.47Å; L131-L179 HydrophobicContact CD1-CB 3.73Å; L131-L179 HydrophobicContact CG-CB 4.21Å; L131-L179 HydrophobicContact CG-CD1 4.22Å
132L98.8Very high95.3Very high0 Ų058.4 Ų58.40%029%0.294CS..EExtended strand (participates in β ladder)trans-89.2128.9168.4-176.463.2000109.6L100 Y102 V113 L153 A154 F159 E160 F161 F162L100-L132 HydrophobicContact CB-CD1 4.41Å; L100-L132 HydrophobicContact CD2-CD1 4.37Å; L100-L132 HydrophobicContact CG-CD1 4Å; L100-L132 CarbonylContact O-C 3.55Å; L100-L132 WeakPolarHBondContact O-CA 3.48Å; L100-L132 WeakPolarHBondContact O-CD1 3.39Å; Y102-L132 HydrophobicContact CD1-CD1 3.92Å; Y102-L132 HydrophobicContact CD1-CG 4.32Å; Y102-L132 HydrophobicContact CE1-CD1 4.22Å; Y102-L132 HydrophobicContact CE1-CD2 4.26Å; Y102-L132 HydrophobicContact CE1-CG 4.11Å; V113-L132 HydrophobicContact CG1-CD1 3.6Å; V113-L132 HydrophobicContact CG1-CD2 4.35Å; V113-L132 HydrophobicContact CG2-CD1 4.01Å; L132-L153 HydrophobicContact CD2-CG 4.48Å; L132-A154 HydrophobicContact CB-CB 4.21Å; L132-A154 HydrophobicContact CD2-CB 3.86Å; L132-F159 HydrophobicContact CB-CB 4.39Å; L132-E160 PolarHBondContact N-O 3.47Å; L132-F161 HydrophobicContact CB-CD2 4.25Å; L132-F161 HydrophobicContact CD2-CD2 4.17Å; L132-F161 HydrophobicContact CG-CD2 4.09Å; L132-F161 WeakPolarHBondContact O-CA 3.43Å; L132-F161 WeakPolarHBondContact O-CD2 3.46Å; L132-F162 PolarHBondContact O-N 3.48Å
133V98.9Very high95.5Very high0 Ų056.5 Ų56.50%028%0.277CS..EExtended strand (participates in β ladder)trans-123.8116.6-179.5-1770000110.7I99 L100 M101 Y102 N135 F162 A164 T175I99-V133 HydrophobicContact CG2-CB 4.37Å; I99-V133 HydrophobicContact CG2-CG2 3.7Å; L100-V133 PolarHBondContact O-N 2.85Å; M101-V133 WeakPolarHBondContact CA-O 3.25Å; M101-V133 HydrophobicContact CE-CB 4.37Å; M101-V133 HydrophobicContact CE-CG1 4.12Å; M101-V133 HydrophobicContact CG-CB 4.42Å; Y102-V133 WeakPolarHBondContact CD1-O 3.21Å; Y102-V133 PolarHBondContact N-O 2.94Å; V133-N135 PolarHBondContact O-N 3.49Å; V133-F162 CarbonylContact C-O 3.53Å; V133-F162 VanDerWaalsContact CA-O 3.28Å; V133-F162 WeakPolarHBondContact CA-O 3.24Å; V133-A164 HydrophobicContact CG1-CB 3.79Å; V133-T175 HydrophobicContact CG2-CG2 3.69Å
134G98.8Very high95.8Very high0 Ų054 Ų540%028%0.275CS..EExtended strand (participates in β ladder)trans-83.699.716400000109.6Y102 F162 E163 A164Y102-G134 VanDerWaalsContact CE1-CA 3.45Å; Y102-G134 VanDerWaalsContact CZ-CA 3.41Å; G134-F162 PolarHBondContact N-O 3.39Å; G134-E163 CarbonylContact O-C 3.57Å; G134-E163 VanDerWaalsContact O-CA 3.25Å; G134-E163 WeakPolarHBondContact O-CA 3.44Å; G134-A164 PolarHBondContact O-N 2.84Å
135N98.8Very high96.2Very high3 Ų352.9 Ų52.92%0.01627%0.266CS..EExtended strand (participates in β ladder)trans-87.9164.6-177.1-170.940.8000112V33 M101 Y102 I104 V133 A164 A166V33-N135 PolarHBondContact O-ND2 3.29Å; M101-N135 HydrophobicContact CE-CB 4.43Å; M101-N135 HydrophobicContact CG-CB 3.69Å; M101-N135 HydrophobicContact SD-CB 3.64Å; Y102-N135 PolarHBondContact O-N 3.3Å; I104-N135 WeakPolarHBondContact CG1-O 3.45Å; I104-N135 PolarHBondContact N-O 2.83Å; V133-N135 PolarHBondContact O-N 3.49Å; N135-A164 CarbonylContact C-O 3.56Å; N135-A164 VanDerWaalsContact CA-O 3.28Å; N135-A164 WeakPolarHBondContact CA-O 3.36Å; N135-A164 PolarHBondContact OD1-O 3.47Å; N135-A166 PolarHBondContact OD1-N 3.07Å
136K98.3Very high96.9Very high50 Ų5050.3 Ų50.322%0.21726%0.263CS..  trans70.434.4-177.4-45.6-169-164.7167.10114S32 D103 I104 D138 M139 A164S32-K136 WeakPolarHBondContact O-CE 3.46Å; S32-K136 PolarHBondContact O-NZ 3.47Å; D103-K136 WeakPolarHBondContact OD1-CD 3.41Å; D103-K136 WeakPolarHBondContact OD2-CD 3.49Å; D103-K136 WeakPolarHBondContact OD2-CE 3.35Å; D103-K136 IonicContact OD2-NZ 3.13Å; D103-K136 PolarHBondContact OD2-NZ 2.8Å; I104-K136 WeakPolarHBondContact CD1-O 3.27Å; I104-K136 HydrophobicContact CG1-CB 4.48Å; I104-K136 WeakPolarHBondContact CG1-O 3.23Å; K136-D138 PolarHBondContact O-N 3.13Å; K136-M139 HydrophobicContact CB-CG 4.29Å; K136-M139 HydrophobicContact CB-SD 4.05Å; K136-M139 HydrophobicContact CD-SD 3.87Å; K136-M139 WeakPolarHBondContact O-CB 3.34Å; K136-M139 PolarHBondContact O-N 3.02Å; K136-A164 PolarHBondContact N-O 3.31Å
137C98.4Very high97.6Very high21 Ų2144.6 Ų44.614%0.14224%0.236CC..THydrogen-bonded Turntrans-64.2-6.8175.868.90000114.8I104 M139 E163 A164I104-C137 HydrophobicContact CD1-CB 4.46Å; C137-M139 PolarHBondContact O-N 2.87Å; C137-E163 HydrophobicContact CB-CB 4.15Å; C137-A164 PolarHBondContact N-O 3.44Å; C137-A164 VanDerWaalsContact N-O 3.07Å; C137-A164 PolarHBondContact SG-O 3.42Å
138D98.3Very high98.1Very high40 Ų4046.9 Ų46.921%0.21424%0.244CC..THydrogen-bonded Turntrans-71.4-14.416761.5-77.3000113.6K136 E140 S165 K167 D168K136-D138 PolarHBondContact O-N 3.13Å; D138-E140 PolarHBondContact O-N 2.83Å; D138-S165 VanDerWaalsContact CG-OG 3.3Å; D138-S165 VanDerWaalsContact OD1-CB 3.3Å; D138-S165 WeakPolarHBondContact OD1-CB 3.21Å; D138-S165 PolarHBondContact OD1-OG 3.35Å; D138-K167 WeakPolarHBondContact OD2-CD 3.45Å; D138-K167 IonicContact OD2-NZ 3.27Å; D138-K167 PolarHBondContact OD2-NZ 2.98Å; D138-D168 HydrophobicContact CB-CB 4.38Å; D138-D168 VanDerWaalsContact CB-OD2 3.27Å; D138-D168 WeakPolarHBondContact CB-OD2 3.46Å
139M97.6Very high98.3Very high49 Ų4950 Ų5024%0.24125%0.253CS..  trans-98.647.9-178.2-58.9-17767.200112.1T105 K136 C137 D141 E142 R143T105-M139 HydrophobicContact CG2-CB 3.65Å; T105-M139 HydrophobicContact CG2-CE 4.21Å; T105-M139 HydrophobicContact CG2-SD 4.2Å; K136-M139 HydrophobicContact CB-CG 4.29Å; K136-M139 HydrophobicContact CB-SD 4.05Å; K136-M139 HydrophobicContact CD-SD 3.87Å; K136-M139 WeakPolarHBondContact O-CB 3.34Å; K136-M139 PolarHBondContact O-N 3.02Å; C137-M139 PolarHBondContact O-N 2.87Å; M139-D141 VanDerWaalsContact C-N 3.28Å; M139-D141 PolarHBondContact O-N 2.88Å; M139-E142 HydrophobicContact CB-CB 4.44Å; M139-E142 HydrophobicContact CE-CB 4.39Å; M139-E142 HydrophobicContact CE-CG 4.38Å; M139-E142 WeakPolarHBondContact CE-OE1 3.45Å; M139-E142 WeakPolarHBondContact CE-OE2 2.73Å; M139-E142 PolarHBondContact O-N 3.02Å; M139-R143 PolarHBondContact O-N 3.47Å
140E97.7Very high98.4Very high109 Ų10948.1 Ų48.151%0.50924%0.244SC..G310 helixtrans-59.1-36.8-173.9-168.260.3-149.300113.1D138 E142 R143D138-E140 PolarHBondContact O-N 2.83Å; E140-E142 PolarHBondContact O-N 2.83Å; E140-R143 VanDerWaalsContact O-CB 3.25Å; E140-R143 WeakPolarHBondContact O-CB 3.32Å; E140-R143 PolarHBondContact O-N 2.95Å; E140-R143 WeakPolarHBondContact OE1-CD 3.24Å; E140-R143 IonicContact OE1-CZ 3.59Å; E140-R143 IonicContact OE1-NE 3.67Å; E140-R143 PolarHBondContact OE1-NE 2.82Å; E140-R143 IonicContact OE2-CZ 2.83Å; E140-R143 VanDerWaalsContact OE2-CZ 3.28Å; E140-R143 IonicContact OE2-NE 2.85Å; E140-R143 PolarHBondContact OE2-NE 2.95Å; E140-R143 IonicContact OE2-NH2 3.78Å; E140-R143 PolarHBondContact OE2-NH2 2.85Å
141D98.2Very high98.5Very high174 Ų17454.5 Ų54.593%0.9327%0.266SS*.G310 helixtrans-66.4-20.5178.3-64-36000113.3M139M139-D141 VanDerWaalsContact C-N 3.28Å; M139-D141 PolarHBondContact O-N 2.88Å
142E98.2Very high98.5Very high123 Ų12359.3 Ų59.358%0.57529%0.289SS*.G310 helixtrans-105.95.3179.4-64.4179-125.400112.3T105 M139 E140 V144T105-E142 WeakPolarHBondContact CB-O 3.45Å; T105-E142 HydrophobicContact CG2-CB 3.79Å; M139-E142 HydrophobicContact CB-CB 4.44Å; M139-E142 HydrophobicContact CE-CB 4.39Å; M139-E142 HydrophobicContact CE-CG 4.38Å; M139-E142 WeakPolarHBondContact CE-OE1 3.45Å; M139-E142 WeakPolarHBondContact CE-OE2 2.73Å; M139-E142 PolarHBondContact O-N 3.02Å; E140-E142 PolarHBondContact O-N 2.83Å; E142-V144 PolarHBondContact O-N 3.01Å
143R98.7Very high98.4Very high46 Ų4660.1 Ų60.117%0.17429%0.293CS..  trans-61.5128.7-176.9179.6-177.6-72.3-88.49.4111.3I104 M139 E140 V145 E163I104-R143 HydrophobicContact CD1-CB 4.18Å; I104-R143 HydrophobicContact CD1-CG 4.18Å; I104-R143 VanDerWaalsContact CD1-CZ 3.42Å; M139-R143 PolarHBondContact O-N 3.47Å; E140-R143 VanDerWaalsContact O-CB 3.25Å; E140-R143 WeakPolarHBondContact O-CB 3.32Å; E140-R143 PolarHBondContact O-N 2.95Å; E140-R143 WeakPolarHBondContact OE1-CD 3.24Å; E140-R143 IonicContact OE1-CZ 3.59Å; E140-R143 IonicContact OE1-NE 3.67Å; E140-R143 PolarHBondContact OE1-NE 2.82Å; E140-R143 IonicContact OE2-CZ 2.83Å; E140-R143 VanDerWaalsContact OE2-CZ 3.28Å; E140-R143 IonicContact OE2-NE 2.85Å; E140-R143 PolarHBondContact OE2-NE 2.95Å; E140-R143 IonicContact OE2-NH2 3.78Å; E140-R143 PolarHBondContact OE2-NH2 2.85Å; R143-V145 WeakPolarHBondContact CD-O 3.34Å; R143-V145 WeakPolarHBondContact CG-O 3.34Å; R143-V145 PolarHBondContact NH1-O 3.28Å; R143-E163 IonicContact CZ-OE1 2.99Å; R143-E163 IonicContact CZ-OE2 3.96Å; R143-E163 IonicContact NH1-OE1 3.42Å; R143-E163 PolarHBondContact NH1-OE1 2.83Å; R143-E163 IonicContact NH1-OE2 2.84Å; R143-E163 IonicContact NH2-OE1 3.18Å; R143-E163 PolarHBondContact NH2-OE1 3.27Å; R143-E163 IonicContact NH2-OE2 2.83Å; R143-E163 PolarHBondContact NH2-OE2 3.21Å
144V98.6Very high98.4Very high74 Ų7460.1 Ų60.145%0.44829%0.293SS..  trans-115.5-21.6171.4-53.70000112.5I104 T105 E107 E142I104-V144 PolarHBondContact O-N 3.41Å; T105-V144 VanDerWaalsContact C-CG2 3.42Å; T105-V144 WeakPolarHBondContact O-CG2 3.37Å; E107-V144 HydrophobicContact CB-CG2 4.03Å; E142-V144 PolarHBondContact O-N 3.01Å
145V98.7Very high98.4Very high0 Ų065.5 Ų65.50%032%0.322CS..SBendtrans-108.6117.2175.1-172.10000109.5Y102 I104 F110 R143 R149Y102-V145 HydrophobicContact CE2-CB 4.06Å; Y102-V145 HydrophobicContact CE2-CG1 3.79Å; Y102-V145 HydrophobicContact CE2-CG2 4.41Å; I104-V145 PolarHBondContact O-N 3.33Å; F110-V145 HydrophobicContact CB-CG1 4.38Å; F110-V145 HydrophobicContact CB-CG2 3.75Å; F110-V145 HydrophobicContact CD1-CG1 4.22Å; F110-V145 HydrophobicContact CD1-CG2 4.47Å; F110-V145 HydrophobicContact CD2-CG1 3.67Å; F110-V145 HydrophobicContact CE1-CG1 4.46Å; F110-V145 HydrophobicContact CE2-CG1 3.93Å; F110-V145 HydrophobicContact CG-CG1 3.82Å; F110-V145 HydrophobicContact CG-CG2 4.03Å; F110-V145 HydrophobicContact CZ-CG1 4.31Å; R143-V145 WeakPolarHBondContact CD-O 3.34Å; R143-V145 WeakPolarHBondContact CG-O 3.34Å; R143-V145 PolarHBondContact NH1-O 3.28Å; V145-R149 HydrophobicContact CG1-CB 4.21Å
146S98.5Very high98.4Very high45 Ų4572.4 Ų72.432%0.31535%0.354SS..  trans-71.9150.6175.269.20000111.8E148 R149 G150S146-E148 PolarHBondContact O-N 3.07Å; S146-R149 PolarHBondContact O-N 3.3Å; S146-R149 WeakPolarHBondContact OG-CG 3.39Å; S146-R149 PolarHBondContact OG-N 2.97Å; S146-G150 PolarHBondContact O-N 3.32Å; S146-G150 VanDerWaalsContact O-N 3.09Å
147S98.3Very high98.3Very high44 Ų4471 Ų7131%0.30835%0.349SS..Hα-helixtrans-57.8-31174.9-41.90000112.5G150 R151 F161 E163S147-G150 PolarHBondContact O-N 3.01Å; S147-R151 WeakPolarHBondContact O-CB 3.42Å; S147-R151 PolarHBondContact O-N 3.44Å; S147-F161 WeakPolarHBondContact O-CE1 3.26Å; S147-E163 WeakPolarHBondContact CA-OE1 3.29Å; S147-E163 WeakPolarHBondContact CB-OE1 3.48Å; S147-E163 PolarHBondContact OG-OE1 3.36Å; S147-E163 PolarHBondContact OG-OE2 3.22Å; S147-E163 VanDerWaalsContact OG-OE2 3.1Å
148E98.6Very high98.2Very high132 Ų13273.3 Ų73.362%0.61738%0.375SS*.Hα-helixtrans-63.9-46.6175.1-175.4-180-179.600111.7S146 G150 R151 Q152S146-E148 PolarHBondContact O-N 3.07Å; E148-G150 VanDerWaalsContact C-N 3.3Å; E148-G150 PolarHBondContact O-N 2.88Å; E148-R151 PolarHBondContact O-N 3.25Å; E148-Q152 HydrophobicContact CG-CG 4.36Å; E148-Q152 WeakPolarHBondContact O-CB 3.36Å; E148-Q152 VanDerWaalsContact O-CG 3.26Å; E148-Q152 WeakPolarHBondContact O-CG 3.49Å; E148-Q152 PolarHBondContact O-N 3.47Å; E148-Q152 PolarHBondContact OE1-NE2 3.49Å; E148-Q152 VanDerWaalsContact OE1-NE2 3.07Å
149R98.5Very high98.2Very high82 Ų8272.4 Ų72.431%0.30937%0.37SS..Hα-helixtrans-62-41.1175.7-71176.468.8-152.8-2.2111.3E107 F110 V145 S146 Q152 L153E107-R149 IonicContact OE1-CZ 2.8Å; E107-R149 IonicContact OE1-NH1 3.71Å; E107-R149 PolarHBondContact OE1-NH1 3.09Å; E107-R149 IonicContact OE1-NH2 3.75Å; E107-R149 PolarHBondContact OE1-NH2 2.85Å; E107-R149 IonicContact OE2-CZ 3.31Å; E107-R149 IonicContact OE2-NH1 3.94Å; E107-R149 PolarHBondContact OE2-NH1 3.46Å; E107-R149 IonicContact OE2-NH2 3.44Å; F110-R149 HydrophobicContact CZ-CB 4.09Å; V145-R149 HydrophobicContact CG1-CB 4.21Å; S146-R149 PolarHBondContact O-N 3.3Å; S146-R149 WeakPolarHBondContact OG-CG 3.39Å; S146-R149 PolarHBondContact OG-N 2.97Å; R149-Q152 PolarHBondContact O-N 3.04Å; R149-L153 WeakPolarHBondContact O-CB 3.49Å; R149-L153 PolarHBondContact O-N 2.77Å
150G98.6Very high98.1Very high0 Ų073.4 Ų73.40%037%0.374CS..Hα-helixtrans-54.6-51.7172.600000112.7Y102 S146 S147 E148 L153 A154Y102-G150 WeakPolarHBondContact OH-CA 3.36Å; S146-G150 PolarHBondContact O-N 3.32Å; S146-G150 VanDerWaalsContact O-N 3.09Å; S147-G150 PolarHBondContact O-N 3.01Å; E148-G150 VanDerWaalsContact C-N 3.3Å; E148-G150 PolarHBondContact O-N 2.88Å; G150-L153 PolarHBondContact O-N 3.12Å; G150-A154 PolarHBondContact O-N 3.48Å
151R98.6Very high98.2Very high149 Ų14969.8 Ų69.856%0.56236%0.356SS*.Hα-helixtrans-65.1-46.8179-172.8172.9-64.4163.43112.5S147 E148 L153 A154 D155 F161S147-R151 WeakPolarHBondContact O-CB 3.42Å; S147-R151 PolarHBondContact O-N 3.44Å; E148-R151 PolarHBondContact O-N 3.25Å; R151-L153 VanDerWaalsContact C-N 3.28Å; R151-L153 PolarHBondContact O-N 3.49Å; R151-A154 WeakPolarHBondContact O-CB 3.28Å; R151-A154 PolarHBondContact O-N 2.92Å; R151-A154 VanDerWaalsContact O-N 3.09Å; R151-D155 VanDerWaalsContact O-CG 3.23Å; R151-D155 PolarHBondContact O-N 2.89Å; R151-F161 HydrophobicContact CB-CD1 3.8Å; R151-F161 HydrophobicContact CB-CE1 4.25Å; R151-F161 HydrophobicContact CB-CG 4.49Å; R151-F161 HydrophobicContact CG-CD1 4.45Å
152Q98.6Very high98.2Very high105 Ų10563.5 Ų63.549%0.49132%0.321SS..Hα-helixtrans-57.3-41.8177.7-74.4173.5-0.800111.9E148 R149 H156E148-Q152 HydrophobicContact CG-CG 4.36Å; E148-Q152 WeakPolarHBondContact O-CB 3.36Å; E148-Q152 VanDerWaalsContact O-CG 3.26Å; E148-Q152 WeakPolarHBondContact O-CG 3.49Å; E148-Q152 PolarHBondContact O-N 3.47Å; E148-Q152 PolarHBondContact OE1-NE2 3.49Å; E148-Q152 VanDerWaalsContact OE1-NE2 3.07Å; R149-Q152 PolarHBondContact O-N 3.04Å; Q152-H156 WeakPolarHBondContact O-CB 3.48Å; Q152-H156 PolarHBondContact O-N 3.22Å
153L98.5Very high98.2Very high17 Ų1759.1 Ų59.19%0.08930%0.3CS..Hα-helixtrans-66.9-41.8175.8-179.160.7000111.8F110 V113 Q114 L132 R149 G150 R151 H156 L157F110-L153 HydrophobicContact CD2-CD2 4.09Å; F110-L153 HydrophobicContact CE1-CD2 4.31Å; F110-L153 HydrophobicContact CE2-CB 4.04Å; F110-L153 HydrophobicContact CE2-CD2 3.45Å; F110-L153 VanDerWaalsContact CE2-CD2 3.45Å; F110-L153 HydrophobicContact CE2-CG 4.39Å; F110-L153 HydrophobicContact CZ-CB 3.9Å; F110-L153 HydrophobicContact CZ-CD2 3.6Å; F110-L153 HydrophobicContact CZ-CG 4.37Å; V113-L153 HydrophobicContact CB-CD2 3.84Å; V113-L153 HydrophobicContact CG1-CD2 3.67Å; V113-L153 HydrophobicContact CG1-CG 4.37Å; V113-L153 HydrophobicContact CG2-CD2 4.48Å; Q114-L153 HydrophobicContact CG-CD1 4.08Å; L132-L153 HydrophobicContact CD2-CG 4.48Å; R149-L153 WeakPolarHBondContact O-CB 3.49Å; R149-L153 PolarHBondContact O-N 2.77Å; G150-L153 PolarHBondContact O-N 3.12Å; R151-L153 VanDerWaalsContact C-N 3.28Å; R151-L153 PolarHBondContact O-N 3.49Å; L153-H156 PolarHBondContact O-N 3.36Å; L153-L157 HydrophobicContact CD1-CD1 3.9Å; L153-L157 HydrophobicContact CD1-CG 4.09Å; L153-L157 HydrophobicContact CG-CD1 3.92Å; L153-L157 HydrophobicContact CG-CG 4.46Å; L153-L157 WeakPolarHBondContact O-CB 3.41Å; L153-L157 VanDerWaalsContact O-CG 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 2.8Å
154A98.6Very high98.2Very high0 Ų057 Ų570%029%0.292CS..Hα-helixtrans-61.1-47.4176.600000111.6L132 G150 R151 H156 L157 G158 F159 F161L132-A154 HydrophobicContact CB-CB 4.21Å; L132-A154 HydrophobicContact CD2-CB 3.86Å; G150-A154 PolarHBondContact O-N 3.48Å; R151-A154 WeakPolarHBondContact O-CB 3.28Å; R151-A154 PolarHBondContact O-N 2.92Å; R151-A154 VanDerWaalsContact O-N 3.09Å; A154-H156 VanDerWaalsContact C-N 3.32Å; A154-H156 PolarHBondContact O-N 3.25Å; A154-L157 CarbonylContact O-C 3.57Å; A154-L157 PolarHBondContact O-N 2.97Å; A154-L157 VanDerWaalsContact O-N 3.08Å; A154-G158 PolarHBondContact O-N 2.98Å; A154-F159 CarbonylContact C-O 3.42Å; A154-F159 HydrophobicContact CB-CB 4.43Å; A154-F159 WeakPolarHBondContact CB-O 3.38Å; A154-F159 PolarHBondContact O-N 3.49Å; A154-F161 HydrophobicContact CB-CB 3.63Å; A154-F161 HydrophobicContact CB-CD2 4.47Å; A154-F161 HydrophobicContact CB-CG 4.3Å
155D98.3Very high98.2Very high112 Ų11253.4 Ų53.460%0.59927%0.271SS*.Hα-helixtrans-59-43.9177.2-65.7-20.7000110.9R151 L157 G158R151-D155 VanDerWaalsContact O-CG 3.23Å; R151-D155 PolarHBondContact O-N 2.89Å; D155-L157 VanDerWaalsContact C-N 3.31Å; D155-L157 PolarHBondContact O-N 3.25Å; D155-G158 PolarHBondContact O-N 3.47Å
156H97.9Very high98.2Very high148 Ų14853.6 Ų53.669%0.68527%0.272SS*.Hα-helixtrans-62-37.1175.9178.669.8000112.9Q152 L153 A154Q152-H156 WeakPolarHBondContact O-CB 3.48Å; Q152-H156 PolarHBondContact O-N 3.22Å; L153-H156 PolarHBondContact O-N 3.36Å; A154-H156 VanDerWaalsContact C-N 3.32Å; A154-H156 PolarHBondContact O-N 3.25Å
157L96.7Very high98.2Very high22 Ų2256.3 Ų56.312%0.11528%0.278CS..Hα-helixtrans-84.5-11.6179.7-66176000113.4V113 L153 A154 D155 F159V113-L157 HydrophobicContact CG1-CD1 3.88Å; L153-L157 HydrophobicContact CD1-CD1 3.9Å; L153-L157 HydrophobicContact CD1-CG 4.09Å; L153-L157 HydrophobicContact CG-CD1 3.92Å; L153-L157 HydrophobicContact CG-CG 4.46Å; L153-L157 WeakPolarHBondContact O-CB 3.41Å; L153-L157 VanDerWaalsContact O-CG 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 2.8Å; A154-L157 CarbonylContact O-C 3.57Å; A154-L157 PolarHBondContact O-N 2.97Å; A154-L157 VanDerWaalsContact O-N 3.08Å; D155-L157 VanDerWaalsContact C-N 3.31Å; D155-L157 PolarHBondContact O-N 3.25Å; L157-F159 HydrophobicContact CB-CD1 4.38Å; L157-F159 HydrophobicContact CB-CD2 3.76Å; L157-F159 HydrophobicContact CB-CE1 4.43Å; L157-F159 HydrophobicContact CB-CE2 3.85Å; L157-F159 HydrophobicContact CB-CG 4.05Å; L157-F159 HydrophobicContact CB-CZ 4.19Å; L157-F159 HydrophobicContact CD1-CD2 4.09Å; L157-F159 HydrophobicContact CD1-CE2 3.92Å; L157-F159 HydrophobicContact CG-CE2 4.48Å
158G96.3Very high98.2Very high68 Ų6858.6 Ų58.670%0.70129%0.287SS*.THydrogen-bonded Turntrans76.429.9-174.400000113.6A154 D155A154-G158 PolarHBondContact O-N 2.98Å; D155-G158 PolarHBondContact O-N 3.47Å
159F97.6Very high98.1Very high22 Ų2255.7 Ų55.710%0.09628%0.276CS..  trans-108.4148.4-179.2-57.4-18.6000110.8L100 S117 V130 L132 A154 L157L100-F159 HydrophobicContact CD2-CE2 4.2Å; S117-F159 VanDerWaalsContact OG-CZ 3.23Å; S117-F159 WeakPolarHBondContact OG-CZ 3.38Å; V130-F159 HydrophobicContact CB-CD1 3.67Å; V130-F159 HydrophobicContact CB-CD2 4.28Å; V130-F159 HydrophobicContact CB-CE1 3.66Å; V130-F159 HydrophobicContact CB-CE2 4.25Å; V130-F159 HydrophobicContact CB-CG 4Å; V130-F159 HydrophobicContact CB-CZ 3.95Å; V130-F159 HydrophobicContact CG1-CD1 4.09Å; V130-F159 HydrophobicContact CG1-CD2 3.76Å; V130-F159 HydrophobicContact CG1-CE1 4.03Å; V130-F159 HydrophobicContact CG1-CE2 3.67Å; V130-F159 HydrophobicContact CG1-CG 3.97Å; V130-F159 HydrophobicContact CG1-CZ 3.81Å; V130-F159 HydrophobicContact CG2-CD1 4.34Å; V130-F159 HydrophobicContact CG2-CE1 3.86Å; V130-F159 HydrophobicContact CG2-CZ 4.08Å; L132-F159 HydrophobicContact CB-CB 4.39Å; A154-F159 CarbonylContact C-O 3.42Å; A154-F159 HydrophobicContact CB-CB 4.43Å; A154-F159 WeakPolarHBondContact CB-O 3.38Å; A154-F159 PolarHBondContact O-N 3.49Å; L157-F159 HydrophobicContact CB-CD1 4.38Å; L157-F159 HydrophobicContact CB-CD2 3.76Å; L157-F159 HydrophobicContact CB-CE1 4.43Å; L157-F159 HydrophobicContact CB-CE2 3.85Å; L157-F159 HydrophobicContact CB-CG 4.05Å; L157-F159 HydrophobicContact CB-CZ 4.19Å; L157-F159 HydrophobicContact CD1-CD2 4.09Å; L157-F159 HydrophobicContact CD1-CE2 3.92Å; L157-F159 HydrophobicContact CG-CE2 4.48Å
160E97.5Very high98.1Very high69 Ų6955 Ų5532%0.32228%0.278SS..EExtended strand (participates in β ladder)trans-74.6148.8165.5-83.4-177.1-138.400110.5L131 L132 R178L131-E160 HydrophobicContact CD2-CB 3.43Å; L131-E160 VanDerWaalsContact CD2-CB 3.43Å; L131-E160 HydrophobicContact CD2-CG 4.42Å; L132-E160 PolarHBondContact N-O 3.47Å; E160-R178 IonicContact OE1-CZ 3.29Å; E160-R178 VanDerWaalsContact OE1-CZ 3.28Å; E160-R178 IonicContact OE1-NE 3.79Å; E160-R178 PolarHBondContact OE1-NE 3.15Å; E160-R178 VanDerWaalsContact OE1-NE 3.14Å; E160-R178 IonicContact OE1-NH2 2.86Å; E160-R178 PolarHBondContact OE1-NH2 2.77Å; E160-R178 VanDerWaalsContact OE2-CG 3.28Å; E160-R178 WeakPolarHBondContact OE2-CG 3.48Å; E160-R178 IonicContact OE2-CZ 2.62Å; E160-R178 IonicContact OE2-NE 2.88Å; E160-R178 PolarHBondContact OE2-NE 2.68Å; E160-R178 IonicContact OE2-NH2 2.79Å
161F98.6Very high98.1Very high33 Ų3357.5 Ų57.515%0.14529%0.291CS..EExtended strand (participates in β ladder)trans-121.1133.9-172.6178.5-117.9000113.1Y102 L132 S147 R151 A154 E163Y102-F161 HydrophobicContact CE1-CE2 4.01Å; Y102-F161 WeakPolarHBondContact OH-CE2 3.45Å; L132-F161 HydrophobicContact CB-CD2 4.25Å; L132-F161 HydrophobicContact CD2-CD2 4.17Å; L132-F161 HydrophobicContact CG-CD2 4.09Å; L132-F161 WeakPolarHBondContact O-CA 3.43Å; L132-F161 WeakPolarHBondContact O-CD2 3.46Å; S147-F161 WeakPolarHBondContact O-CE1 3.26Å; R151-F161 HydrophobicContact CB-CD1 3.8Å; R151-F161 HydrophobicContact CB-CE1 4.25Å; R151-F161 HydrophobicContact CB-CG 4.49Å; R151-F161 HydrophobicContact CG-CD1 4.45Å; A154-F161 HydrophobicContact CB-CB 3.63Å; A154-F161 HydrophobicContact CB-CD2 4.47Å; A154-F161 HydrophobicContact CB-CG 4.3Å; F161-E163 HydrophobicContact CE1-CG 3.96Å; F161-E163 HydrophobicContact CE2-CG 4.46Å; F161-E163 HydrophobicContact CZ-CG 3.54Å
162F98.7Very high98.1Very high43 Ų4350.4 Ų50.419%0.18926%0.264CS..EExtended strand (participates in β ladder)trans-128145.4168.8-69.2-95.3000110.5L131 L132 V133 G134 N171 R178L131-F162 HydrophobicContact CD1-CD2 4.29Å; L131-F162 HydrophobicContact CD1-CE2 4.04Å; L131-F162 HydrophobicContact CD2-CE2 4.42Å; L132-F162 PolarHBondContact O-N 3.48Å; V133-F162 CarbonylContact C-O 3.53Å; V133-F162 VanDerWaalsContact CA-O 3.28Å; V133-F162 WeakPolarHBondContact CA-O 3.24Å; G134-F162 PolarHBondContact N-O 3.39Å; F162-N171 HydrophobicContact CD1-CB 4.42Å; F162-R178 HydrophobicContact CE2-CB 4.26Å; F162-R178 HydrophobicContact CE2-CG 4.09Å; F162-R178 HydrophobicContact CZ-CB 3.96Å; F162-R178 HydrophobicContact CZ-CG 3.95Å
163E98.7Very high98.1Very high31 Ų3151 Ų5115%0.14527%0.265CS..EExtended strand (participates in β ladder)trans-98.2143.1153.1-71.7-163.2166.900109.7G134 C137 R143 S147 F161 N171G134-E163 CarbonylContact O-C 3.57Å; G134-E163 VanDerWaalsContact O-CA 3.25Å; G134-E163 WeakPolarHBondContact O-CA 3.44Å; C137-E163 HydrophobicContact CB-CB 4.15Å; R143-E163 IonicContact CZ-OE1 2.99Å; R143-E163 IonicContact CZ-OE2 3.96Å; R143-E163 IonicContact NH1-OE1 3.42Å; R143-E163 PolarHBondContact NH1-OE1 2.83Å; R143-E163 IonicContact NH1-OE2 2.84Å; R143-E163 IonicContact NH2-OE1 3.18Å; R143-E163 PolarHBondContact NH2-OE1 3.27Å; R143-E163 IonicContact NH2-OE2 2.83Å; R143-E163 PolarHBondContact NH2-OE2 3.21Å; S147-E163 WeakPolarHBondContact CA-OE1 3.29Å; S147-E163 WeakPolarHBondContact CB-OE1 3.48Å; S147-E163 PolarHBondContact OG-OE1 3.36Å; S147-E163 PolarHBondContact OG-OE2 3.22Å; S147-E163 VanDerWaalsContact OG-OE2 3.1Å; F161-E163 HydrophobicContact CE1-CG 3.96Å; F161-E163 HydrophobicContact CE2-CG 4.46Å; F161-E163 HydrophobicContact CZ-CG 3.54Å; E163-N171 WeakPolarHBondContact O-CB 3.18Å; E163-N171 PolarHBondContact O-ND2 2.71Å
164A98.8Very high98.1Very high0 Ų054.4 Ų54.40%028%0.281CS..EExtended strand (participates in β ladder)trans-146.8161.7-174.800000112.4F38 V133 G134 N135 K136 C137 I170 N171F38-A164 HydrophobicContact CE2-CB 3.62Å; F38-A164 HydrophobicContact CZ-CB 4.23Å; V133-A164 HydrophobicContact CG1-CB 3.79Å; G134-A164 PolarHBondContact O-N 2.84Å; N135-A164 CarbonylContact C-O 3.56Å; N135-A164 VanDerWaalsContact CA-O 3.28Å; N135-A164 WeakPolarHBondContact CA-O 3.36Å; N135-A164 PolarHBondContact OD1-O 3.47Å; K136-A164 PolarHBondContact N-O 3.31Å; C137-A164 PolarHBondContact N-O 3.44Å; C137-A164 VanDerWaalsContact N-O 3.07Å; C137-A164 PolarHBondContact SG-O 3.42Å; A164-I170 VanDerWaalsContact CA-O 3.26Å; A164-I170 WeakPolarHBondContact CA-O 3.42Å; A164-I170 VanDerWaalsContact CB-O 3.26Å; A164-I170 WeakPolarHBondContact CB-O 3.24Å; A164-N171 HydrophobicContact CB-CB 4.07Å
165S98.6Very high98.1Very high0 Ų054.4 Ų54.40%028%0.281CS..BIsolated β-bridgetrans-134.7115.4170.3174.10000109.4D138 K167 D168 N169 I170 V172D138-S165 VanDerWaalsContact CG-OG 3.3Å; D138-S165 VanDerWaalsContact OD1-CB 3.3Å; D138-S165 WeakPolarHBondContact OD1-CB 3.21Å; D138-S165 PolarHBondContact OD1-OG 3.35Å; S165-K167 PolarHBondContact O-N 2.82Å; S165-K167 PolarHBondContact OG-N 2.92Å; S165-D168 PolarHBondContact OG-N 2.96Å; S165-N169 CarbonylContact O-C 3.36Å; S165-N169 VanDerWaalsContact O-CA 3.24Å; S165-N169 WeakPolarHBondContact O-CA 3.43Å; S165-N169 PolarHBondContact O-N 3.39Å; S165-I170 PolarHBondContact N-O 3.04Å; S165-I170 PolarHBondContact O-N 3.47Å; S165-V172 WeakPolarHBondContact O-CG2 3.46Å
166A98.1Very high98.1Very high3 Ų349.1 Ų49.13%0.02525%0.252CS..THydrogen-bonded Turntrans-63.6-32.317000000112.3F38 R41 F47 N135F38-A166 HydrophobicContact CB-CB 4.34Å; F38-A166 HydrophobicContact CD2-CB 4.2Å; R41-A166 WeakPolarHBondContact CG-O 3.25Å; R41-A166 PolarHBondContact NE-O 2.88Å; F47-A166 HydrophobicContact CD2-CB 4.31Å; F47-A166 HydrophobicContact CE2-CB 4.42Å; N135-A166 PolarHBondContact OD1-N 3.07Å
167K97.8Very high98.1Very high102 Ų10244.2 Ų44.244%0.44323%0.23SC..THydrogen-bonded Turntrans-68.6-56-178.9-178.1-162.4178.9-1740110.6R41 F47 D138 S165 N169R41-K167 PolarHBondContact NH2-O 2.64Å; F47-K167 HydrophobicContact CD1-CB 4.38Å; F47-K167 HydrophobicContact CD1-CG 4.14Å; F47-K167 HydrophobicContact CD2-CB 4.19Å; F47-K167 HydrophobicContact CE1-CB 4.03Å; F47-K167 HydrophobicContact CE1-CG 3.75Å; F47-K167 HydrophobicContact CE2-CB 3.82Å; F47-K167 HydrophobicContact CE2-CG 4.46Å; F47-K167 HydrophobicContact CG-CB 4.46Å; F47-K167 HydrophobicContact CZ-CB 3.73Å; F47-K167 HydrophobicContact CZ-CG 3.93Å; D138-K167 WeakPolarHBondContact OD2-CD 3.45Å; D138-K167 IonicContact OD2-NZ 3.27Å; D138-K167 PolarHBondContact OD2-NZ 2.98Å; S165-K167 PolarHBondContact O-N 2.82Å; S165-K167 PolarHBondContact OG-N 2.92Å; K167-N169 VanDerWaalsContact C-N 3.32Å; K167-N169 PolarHBondContact O-N 2.69Å
168D98.1Very high98.1Very high92 Ų9246.3 Ų46.349%0.49224%0.236SC..THydrogen-bonded Turntrans-90.94.2-174.9-69.22.2000112.9D138 S165 I170D138-D168 HydrophobicContact CB-CB 4.38Å; D138-D168 VanDerWaalsContact CB-OD2 3.27Å; D138-D168 WeakPolarHBondContact CB-OD2 3.46Å; S165-D168 PolarHBondContact OG-N 2.96Å; D168-I170 VanDerWaalsContact C-N 3.31Å; D168-I170 HydrophobicContact CB-CD1 4.02Å; D168-I170 HydrophobicContact CB-CG1 4.08Å; D168-I170 PolarHBondContact O-N 3.17Å
169N98Very high98.2Very high71 Ų7143.1 Ų43.138%0.3820%0.203SC..THydrogen-bonded Turntrans58.537.2179.9-163.924.5000113.9R41 S165 K167R41-N169 WeakPolarHBondContact CD-OD1 3.24Å; R41-N169 HydrophobicContact CG-CB 4.31Å; R41-N169 WeakPolarHBondContact CG-OD1 3.29Å; S165-N169 CarbonylContact O-C 3.36Å; S165-N169 VanDerWaalsContact O-CA 3.24Å; S165-N169 WeakPolarHBondContact O-CA 3.43Å; S165-N169 PolarHBondContact O-N 3.39Å; K167-N169 VanDerWaalsContact C-N 3.32Å; K167-N169 PolarHBondContact O-N 2.69Å
170I98.7Very high98.2Very high69 Ų6942 Ų4235%0.35420%0.198SC..BIsolated β-bridgetrans-87.9125.7178.1-60.2171.7000108.8A164 S165 D168 V172A164-I170 VanDerWaalsContact CA-O 3.26Å; A164-I170 WeakPolarHBondContact CA-O 3.42Å; A164-I170 VanDerWaalsContact CB-O 3.26Å; A164-I170 WeakPolarHBondContact CB-O 3.24Å; S165-I170 PolarHBondContact N-O 3.04Å; S165-I170 PolarHBondContact O-N 3.47Å; D168-I170 VanDerWaalsContact C-N 3.31Å; D168-I170 HydrophobicContact CB-CD1 4.02Å; D168-I170 HydrophobicContact CB-CG1 4.08Å; D168-I170 PolarHBondContact O-N 3.17Å; I170-V172 PolarHBondContact O-N 3.3Å
171N98.5Very high98.1Very high52 Ų5240.6 Ų40.628%0.27819%0.193SC..SBendtrans56.311.4176-66.4-29000116.6F162 E163 A164 Q174 T175F162-N171 HydrophobicContact CD1-CB 4.42Å; E163-N171 WeakPolarHBondContact O-CB 3.18Å; E163-N171 PolarHBondContact O-ND2 2.71Å; A164-N171 HydrophobicContact CB-CB 4.07Å; N171-Q174 VanDerWaalsContact CA-OE1 3.3Å; N171-T175 WeakPolarHBondContact O-CB 3.28Å; N171-T175 PolarHBondContact O-N 2.98Å; N171-T175 PolarHBondContact O-OG1 3.45Å
172V98.7Very high98Very high0 Ų039.7 Ų39.70%019%0.19CC..Hα-helixtrans-64.7-58.9-178.9-179.20000110.4F38 R41 S165 I170 Q174 T175 F176F38-V172 HydrophobicContact CD1-CG1 4.37Å; F38-V172 HydrophobicContact CD2-CG1 4.32Å; F38-V172 HydrophobicContact CD2-CG2 4.03Å; F38-V172 HydrophobicContact CE1-CG1 4.19Å; F38-V172 HydrophobicContact CE2-CB 4.11Å; F38-V172 HydrophobicContact CE2-CG1 4.13Å; F38-V172 HydrophobicContact CE2-CG2 3.69Å; F38-V172 HydrophobicContact CG-CG1 4.44Å; F38-V172 HydrophobicContact CZ-CB 4.22Å; F38-V172 HydrophobicContact CZ-CG1 4.07Å; F38-V172 HydrophobicContact CZ-CG2 4.29Å; R41-V172 HydrophobicContact CB-CG1 4.26Å; R41-V172 HydrophobicContact CG-CB 4.19Å; R41-V172 HydrophobicContact CG-CG1 3.95Å; R41-V172 HydrophobicContact CG-CG2 3.88Å; S165-V172 WeakPolarHBondContact O-CG2 3.46Å; I170-V172 PolarHBondContact O-N 3.3Å; V172-Q174 VanDerWaalsContact C-N 3.33Å; V172-Q174 PolarHBondContact O-N 3.34Å; V172-T175 PolarHBondContact O-N 2.94Å; V172-F176 WeakPolarHBondContact O-CD2 3.26Å; V172-F176 PolarHBondContact O-N 2.82Å
173K97.7Very high97.9Very high117 Ų11737.9 Ų37.951%0.50918%0.182SC..Hα-helixtrans-61.3-43.3179.2-179.9176.6170.5-176.20111.4Y42 T175 F176 E177Y42-K173 HydrophobicContact CE2-CG 4.46Å; K173-T175 VanDerWaalsContact C-N 3.31Å; K173-T175 PolarHBondContact O-N 3.33Å; K173-F176 PolarHBondContact O-N 2.88Å; K173-E177 WeakPolarHBondContact CE-OE1 3.45Å; K173-E177 HydrophobicContact CG-CG 4.23Å; K173-E177 IonicContact NZ-OE1 2.72Å; K173-E177 VanDerWaalsContact O-CB 3.27Å; K173-E177 WeakPolarHBondContact O-CB 3.32Å; K173-E177 WeakPolarHBondContact O-CG 3.36Å; K173-E177 PolarHBondContact O-N 3.26Å
174Q98.3Very high97.6Very high89 Ų8938 Ų3842%0.41619%0.186SC..Hα-helixtrans-59.2-40.1-179-65.286.4-29.500111.9N171 V172 E177 R178N171-Q174 VanDerWaalsContact CA-OE1 3.3Å; V172-Q174 VanDerWaalsContact C-N 3.33Å; V172-Q174 PolarHBondContact O-N 3.34Å; Q174-E177 PolarHBondContact O-N 3.09Å; Q174-R178 WeakPolarHBondContact O-CB 3.41Å; Q174-R178 PolarHBondContact O-N 3.25Å
175T98.7Very high97.3Very high0 Ų042.2 Ų42.20%021%0.205CC..Hα-helixtrans-61.3-51.3177.2-61.20000111.4F38 I99 L131 V133 N171 V172 K173 E177 R178 L179F38-T175 HydrophobicContact CE1-CG2 4.27Å; F38-T175 HydrophobicContact CZ-CG2 4.23Å; I99-T175 HydrophobicContact CD1-CG2 4.02Å; I99-T175 HydrophobicContact CG1-CG2 4.3Å; I99-T175 HydrophobicContact CG2-CG2 4.35Å; L131-T175 HydrophobicContact CD1-CG2 3.9Å; L131-T175 WeakPolarHBondContact CD1-O 3.26Å; V133-T175 HydrophobicContact CG2-CG2 3.69Å; N171-T175 WeakPolarHBondContact O-CB 3.28Å; N171-T175 PolarHBondContact O-N 2.98Å; N171-T175 PolarHBondContact O-OG1 3.45Å; V172-T175 PolarHBondContact O-N 2.94Å; K173-T175 VanDerWaalsContact C-N 3.31Å; K173-T175 PolarHBondContact O-N 3.33Å; T175-E177 VanDerWaalsContact C-N 3.34Å; T175-E177 PolarHBondContact O-N 3.44Å; T175-R178 PolarHBondContact O-N 3.14Å; T175-L179 WeakPolarHBondContact O-CB 3.25Å; T175-L179 PolarHBondContact O-N 3.29Å
176F98.3Very high96.9Very high0 Ų045.4 Ų45.40%022%0.219CC..Hα-helixtrans-64.1-42.1179.1-78.3-84.2000111.9I27 F38 Y42 I75 I99 V172 K173 L179 V180I27-F176 HydrophobicContact CD1-CE1 4.46Å; I27-F176 HydrophobicContact CD1-CZ 3.9Å; F38-F176 AromaticContact CD1-CE2 3.57Å; F38-F176 HydrophobicContact CD1-CE2 3.57Å; F38-F176 HydrophobicContact CD1-CZ 4.08Å; F38-F176 HydrophobicContact CE1-CD2 4.02Å; F38-F176 AromaticContact CE1-CE2 3.42Å; F38-F176 HydrophobicContact CE1-CE2 3.42Å; F38-F176 VanDerWaalsContact CE1-CE2 3.42Å; F38-F176 HydrophobicContact CE1-CZ 4.19Å; Y42-F176 VanDerWaalsContact CB-CE2 3.46Å; Y42-F176 HydrophobicContact CD1-CB 4.48Å; Y42-F176 AromaticContact CD1-CD1 3.91Å; Y42-F176 HydrophobicContact CD1-CD1 3.91Å; Y42-F176 AromaticContact CD1-CD2 3.61Å; Y42-F176 HydrophobicContact CD1-CD2 3.61Å; Y42-F176 AromaticContact CD1-CE1 3.97Å; Y42-F176 HydrophobicContact CD1-CE1 3.97Å; Y42-F176 AromaticContact CD1-CE2 3.67Å; Y42-F176 HydrophobicContact CD1-CE2 3.67Å; Y42-F176 AromaticContact CD1-CG 3.74Å; Y42-F176 HydrophobicContact CD1-CG 3.74Å; Y42-F176 AromaticContact CD1-CZ 3.85Å; Y42-F176 HydrophobicContact CD1-CZ 3.85Å; Y42-F176 HydrophobicContact CD2-CB 4.11Å; Y42-F176 AromaticContact CD2-CD2 3.46Å; Y42-F176 HydrophobicContact CD2-CD2 3.46Å; Y42-F176 VanDerWaalsContact CD2-CD2 3.46Å; Y42-F176 HydrophobicContact CD2-CE2 4.07Å; Y42-F176 AromaticContact CD2-CG 3.92Å; Y42-F176 HydrophobicContact CD2-CG 3.92Å; Y42-F176 HydrophobicContact CE1-CB 4Å; Y42-F176 AromaticContact CE1-CD1 3.75Å; Y42-F176 HydrophobicContact CE1-CD1 3.75Å; Y42-F176 AromaticContact CE1-CD2 3.99Å; Y42-F176 HydrophobicContact CE1-CD2 3.99Å; Y42-F176 HydrophobicContact CE1-CE1 4.2Å; Y42-F176 HydrophobicContact CE1-CE2 4.41Å; Y42-F176 AromaticContact CE1-CG 3.64Å; Y42-F176 HydrophobicContact CE1-CG 3.64Å; Y42-F176 HydrophobicContact CE2-CB 3.59Å; Y42-F176 AromaticContact CE2-CD2 3.87Å; Y42-F176 HydrophobicContact CE2-CD2 3.87Å; Y42-F176 AromaticContact CE2-CG 3.84Å; Y42-F176 HydrophobicContact CE2-CG 3.84Å; Y42-F176 HydrophobicContact CG-CD1 4.46Å; Y42-F176 AromaticContact CG-CD2 3.31Å; Y42-F176 HydrophobicContact CG-CD2 3.31Å; Y42-F176 AromaticContact CG-CE2 3.45Å; Y42-F176 HydrophobicContact CG-CE2 3.45Å; Y42-F176 VanDerWaalsContact CG-CE2 3.45Å; Y42-F176 AromaticContact CG-CG 3.86Å; Y42-F176 HydrophobicContact CG-CG 3.86Å; Y42-F176 HydrophobicContact CG-CZ 4.11Å; Y42-F176 AromaticContact CZ-CG 3.69Å; I75-F176 HydrophobicContact CD1-CD1 4.15Å; I75-F176 HydrophobicContact CD1-CE1 3.72Å; I75-F176 HydrophobicContact CD1-CZ 4.46Å; I75-F176 HydrophobicContact CG1-CE1 4.23Å; I75-F176 HydrophobicContact CG2-CE1 4.03Å; I99-F176 HydrophobicContact CD1-CD1 3.82Å; I99-F176 HydrophobicContact CD1-CD2 4.35Å; I99-F176 HydrophobicContact CD1-CE1 3.52Å; I99-F176 HydrophobicContact CD1-CE2 4.1Å; I99-F176 HydrophobicContact CD1-CG 4.22Å; I99-F176 HydrophobicContact CD1-CZ 3.68Å; V172-F176 WeakPolarHBondContact O-CD2 3.26Å; V172-F176 PolarHBondContact O-N 2.82Å; K173-F176 PolarHBondContact O-N 2.88Å; F176-L179 PolarHBondContact O-N 3.16Å; F176-V180 VanDerWaalsContact O-CG2 3.26Å; F176-V180 WeakPolarHBondContact O-CG2 3.39Å; F176-V180 PolarHBondContact O-N 3.5Å
177E97.1Very high96.4Very high45 Ų4547.7 Ų47.721%0.2123%0.23CC..Hα-helixtrans-62.5-46.3178.4-86.2-166.8-179.800112.3R66 K173 Q174 T175 L179 V180 D181R66-E177 VanDerWaalsContact CZ-CD 3.5Å; R66-E177 IonicContact CZ-OE2 3.28Å; R66-E177 IonicContact NH1-OE1 3.51Å; R66-E177 PolarHBondContact NH1-OE1 2.94Å; R66-E177 IonicContact NH1-OE2 3.14Å; R66-E177 PolarHBondContact NH1-OE2 3.29Å; R66-E177 VanDerWaalsContact NH2-CB 3.27Å; R66-E177 IonicContact NH2-OE2 2.68Å; R66-E177 PolarHBondContact NH2-OE2 3.41Å; K173-E177 WeakPolarHBondContact CE-OE1 3.45Å; K173-E177 HydrophobicContact CG-CG 4.23Å; K173-E177 IonicContact NZ-OE1 2.72Å; K173-E177 VanDerWaalsContact O-CB 3.27Å; K173-E177 WeakPolarHBondContact O-CB 3.32Å; K173-E177 WeakPolarHBondContact O-CG 3.36Å; K173-E177 PolarHBondContact O-N 3.26Å; Q174-E177 PolarHBondContact O-N 3.09Å; T175-E177 VanDerWaalsContact C-N 3.34Å; T175-E177 PolarHBondContact O-N 3.44Å; E177-L179 PolarHBondContact O-N 3.42Å; E177-V180 WeakPolarHBondContact O-CB 3.34Å; E177-V180 PolarHBondContact O-N 3.3Å; E177-D181 PolarHBondContact O-N 3Å
178R98Very high95.9Very high67 Ų6745.5 Ų45.525%0.25323%0.228SC..Hα-helixtrans-62.2-44175.6-179.458.8-173.5143.21.4111.3L131 E160 F162 Q174 T175 V180 D181 V182 E185L131-R178 HydrophobicContact CD1-CB 4.35Å; L131-R178 HydrophobicContact CD1-CG 4.47Å; E160-R178 IonicContact OE1-CZ 3.29Å; E160-R178 VanDerWaalsContact OE1-CZ 3.28Å; E160-R178 IonicContact OE1-NE 3.79Å; E160-R178 PolarHBondContact OE1-NE 3.15Å; E160-R178 VanDerWaalsContact OE1-NE 3.14Å; E160-R178 IonicContact OE1-NH2 2.86Å; E160-R178 PolarHBondContact OE1-NH2 2.77Å; E160-R178 VanDerWaalsContact OE2-CG 3.28Å; E160-R178 WeakPolarHBondContact OE2-CG 3.48Å; E160-R178 IonicContact OE2-CZ 2.62Å; E160-R178 IonicContact OE2-NE 2.88Å; E160-R178 PolarHBondContact OE2-NE 2.68Å; E160-R178 IonicContact OE2-NH2 2.79Å; F162-R178 HydrophobicContact CE2-CB 4.26Å; F162-R178 HydrophobicContact CE2-CG 4.09Å; F162-R178 HydrophobicContact CZ-CB 3.96Å; F162-R178 HydrophobicContact CZ-CG 3.95Å; Q174-R178 WeakPolarHBondContact O-CB 3.41Å; Q174-R178 PolarHBondContact O-N 3.25Å; T175-R178 PolarHBondContact O-N 3.14Å; R178-V180 VanDerWaalsContact C-N 3.28Å; R178-V180 PolarHBondContact O-N 2.85Å; R178-D181 PolarHBondContact O-N 3.15Å; R178-D181 VanDerWaalsContact O-N 3.11Å; R178-V182 HydrophobicContact CG-CG2 4.22Å; R178-V182 VanDerWaalsContact O-CG2 3.25Å; R178-V182 WeakPolarHBondContact O-CG2 3.17Å; R178-V182 PolarHBondContact O-N 3.4Å; R178-E185 IonicContact NH1-OE1 2.77Å; R178-E185 PolarHBondContact NH1-OE1 2.94Å; R178-E185 IonicContact NH1-OE2 3.95Å; R178-E185 IonicContact NH2-OE2 3.09Å
179L98.1Very high95.3Very high0 Ų046 Ų460%023%0.227CC..Hα-helixtrans-59.4-40.9178-178.556.6000111.8I25 I99 Q129 L131 T175 F176 E177 V182 I183I25-L179 HydrophobicContact CD1-CD2 4.1Å; I25-L179 HydrophobicContact CG1-CD2 4.16Å; I25-L179 HydrophobicContact CG2-CD2 3.69Å; I99-L179 HydrophobicContact CD1-CD2 4.3Å; I99-L179 HydrophobicContact CG1-CD2 3.73Å; Q129-L179 HydrophobicContact CB-CD1 3.9Å; L131-L179 HydrophobicContact CD1-CB 3.73Å; L131-L179 HydrophobicContact CG-CB 4.21Å; L131-L179 HydrophobicContact CG-CD1 4.22Å; T175-L179 WeakPolarHBondContact O-CB 3.25Å; T175-L179 PolarHBondContact O-N 3.29Å; F176-L179 PolarHBondContact O-N 3.16Å; E177-L179 PolarHBondContact O-N 3.42Å; L179-V182 PolarHBondContact O-N 2.76Å; L179-I183 HydrophobicContact CD1-CD1 4.11Å; L179-I183 HydrophobicContact CD1-CG1 4.33Å; L179-I183 HydrophobicContact CG-CD1 3.96Å; L179-I183 WeakPolarHBondContact O-CB 3.16Å; L179-I183 WeakPolarHBondContact O-CD1 3.01Å; L179-I183 WeakPolarHBondContact O-CG1 3.15Å; L179-I183 PolarHBondContact O-N 3.26Å
180V97.5Very high94.3Very high0 Ų045.1 Ų45.10%023%0.227CC..Hα-helixtrans-62.2-44.2174.9167.60000111.2F23 I25 I64 R66 I71 L73 F176 E177 R178 I183 C184F23-V180 HydrophobicContact CD2-CG1 4.3Å; F23-V180 HydrophobicContact CD2-CG2 4.29Å; F23-V180 HydrophobicContact CE2-CG1 3.94Å; I25-V180 HydrophobicContact CD1-CG2 4.48Å; I64-V180 HydrophobicContact CD1-CB 4.36Å; I64-V180 HydrophobicContact CD1-CG1 3.98Å; I64-V180 HydrophobicContact CD1-CG2 3.87Å; R66-V180 HydrophobicContact CG-CG1 4.1Å; I71-V180 HydrophobicContact CD1-CG1 3.79Å; L73-V180 HydrophobicContact CD1-CG2 3.97Å; L73-V180 HydrophobicContact CD2-CG2 3.55Å; L73-V180 HydrophobicContact CG-CG2 4.41Å; F176-V180 VanDerWaalsContact O-CG2 3.26Å; F176-V180 WeakPolarHBondContact O-CG2 3.39Å; F176-V180 PolarHBondContact O-N 3.5Å; E177-V180 WeakPolarHBondContact O-CB 3.34Å; E177-V180 PolarHBondContact O-N 3.3Å; R178-V180 VanDerWaalsContact C-N 3.28Å; R178-V180 PolarHBondContact O-N 2.85Å; V180-I183 PolarHBondContact O-N 3.07Å; V180-C184 PolarHBondContact O-N 3.36Å; V180-C184 PolarHBondContact O-SG 3.23Å
181D96.3Very high93.1Very high39 Ų3947.8 Ų47.821%0.20924%0.241CC..Hα-helixtrans-64-45.1-179.9-60.2-24000110.7R66 E177 R178 I183 C184 E185R66-D181 IonicContact CZ-OD1 2.81Å; R66-D181 IonicContact CZ-OD2 2.64Å; R66-D181 IonicContact NE-OD1 3.59Å; R66-D181 PolarHBondContact NE-OD1 3.24Å; R66-D181 VanDerWaalsContact NE-OD1 3.13Å; R66-D181 IonicContact NE-OD2 3.62Å; R66-D181 IonicContact NH2-OD1 3.78Å; R66-D181 PolarHBondContact NH2-OD1 2.66Å; R66-D181 IonicContact NH2-OD2 3.85Å; R66-D181 PolarHBondContact NH2-OD2 3.31Å; E177-D181 PolarHBondContact O-N 3Å; R178-D181 PolarHBondContact O-N 3.15Å; R178-D181 VanDerWaalsContact O-N 3.11Å; D181-I183 VanDerWaalsContact C-N 3.35Å; D181-I183 PolarHBondContact O-N 3.46Å; D181-C184 WeakPolarHBondContact O-CB 3.19Å; D181-C184 PolarHBondContact O-N 2.97Å; D181-C184 VanDerWaalsContact O-N 3.16Å; D181-E185 VanDerWaalsContact O-CG 3.31Å; D181-E185 WeakPolarHBondContact O-CG 3.38Å; D181-E185 PolarHBondContact O-N 3.39Å
182V95.8Very high91.8Very high14 Ų1452 Ų529%0.08526%0.263CS..Hα-helixtrans-62.1-40.4176.1-177.30000111.6Q129 R178 L179 E185 K186Q129-V182 HydrophobicContact CB-CG1 4.01Å; Q129-V182 HydrophobicContact CG-CG1 3.73Å; R178-V182 HydrophobicContact CG-CG2 4.22Å; R178-V182 VanDerWaalsContact O-CG2 3.25Å; R178-V182 WeakPolarHBondContact O-CG2 3.17Å; R178-V182 PolarHBondContact O-N 3.4Å; L179-V182 PolarHBondContact O-N 2.76Å; V182-E185 PolarHBondContact O-N 2.96Å; V182-K186 WeakPolarHBondContact O-CB 3.3Å; V182-K186 PolarHBondContact O-N 2.96Å
183I95.4Very high89.9Confident5 Ų557.4 Ų57.43%0.02630%0.297CS..Hα-helixtrans-63-43.7175.5-70.5164.9000110.6F23 I25 M96 Q129 L179 V180 D181 K186 M187F23-I183 HydrophobicContact CD1-CG2 4.12Å; F23-I183 HydrophobicContact CD2-CB 4.27Å; F23-I183 HydrophobicContact CD2-CD1 4.25Å; F23-I183 HydrophobicContact CD2-CG2 3.85Å; F23-I183 HydrophobicContact CE1-CG2 4.02Å; F23-I183 HydrophobicContact CE2-CB 4.13Å; F23-I183 HydrophobicContact CE2-CG2 3.71Å; F23-I183 HydrophobicContact CG-CG2 4.07Å; F23-I183 HydrophobicContact CZ-CG2 3.84Å; I25-I183 HydrophobicContact CG1-CD1 4.44Å; M96-I183 HydrophobicContact CB-CD1 3.96Å; M96-I183 HydrophobicContact CB-CG1 4.34Å; M96-I183 HydrophobicContact CB-CG2 4.19Å; M96-I183 HydrophobicContact CE-CG2 3.51Å; Q129-I183 HydrophobicContact CB-CG1 4.14Å; Q129-I183 HydrophobicContact CG-CG1 4.01Å; L179-I183 HydrophobicContact CD1-CD1 4.11Å; L179-I183 HydrophobicContact CD1-CG1 4.33Å; L179-I183 HydrophobicContact CG-CD1 3.96Å; L179-I183 WeakPolarHBondContact O-CB 3.16Å; L179-I183 WeakPolarHBondContact O-CD1 3.01Å; L179-I183 WeakPolarHBondContact O-CG1 3.15Å; L179-I183 PolarHBondContact O-N 3.26Å; V180-I183 PolarHBondContact O-N 3.07Å; D181-I183 VanDerWaalsContact C-N 3.35Å; D181-I183 PolarHBondContact O-N 3.46Å; I183-K186 PolarHBondContact O-N 2.64Å; I183-M187 HydrophobicContact CG2-CE 4.3Å; I183-M187 WeakPolarHBondContact O-CG 3.27Å; I183-M187 PolarHBondContact O-N 3.23Å
184C93.7Very high87.7Confident33 Ų3355 Ų5522%0.22330%0.299CS..Hα-helixtrans-61.3-47.4176.3-71.90000111.9V180 D181 K186 M187 S188V180-C184 PolarHBondContact O-N 3.36Å; V180-C184 PolarHBondContact O-SG 3.23Å; D181-C184 WeakPolarHBondContact O-CB 3.19Å; D181-C184 PolarHBondContact O-N 2.97Å; D181-C184 VanDerWaalsContact O-N 3.16Å; C184-K186 VanDerWaalsContact C-N 3.32Å; C184-K186 PolarHBondContact O-N 3.35Å; C184-M187 PolarHBondContact O-N 2.98Å; C184-S188 PolarHBondContact O-N 2.92Å; C184-S188 PolarHBondContact O-OG 3.03Å
185E92.5Very high85.1Confident88 Ų8856.8 Ų56.841%0.41131%0.311SS..Hα-helixtrans-54.8-48.4176.3-71.6163.2-161.200110.5R178 D181 V182 M187 S188 E189R178-E185 IonicContact NH1-OE1 2.77Å; R178-E185 PolarHBondContact NH1-OE1 2.94Å; R178-E185 IonicContact NH1-OE2 3.95Å; R178-E185 IonicContact NH2-OE2 3.09Å; D181-E185 VanDerWaalsContact O-CG 3.31Å; D181-E185 WeakPolarHBondContact O-CG 3.38Å; D181-E185 PolarHBondContact O-N 3.39Å; V182-E185 PolarHBondContact O-N 2.96Å; E185-M187 PolarHBondContact O-N 3.31Å; E185-S188 WeakPolarHBondContact CA-OG 3.44Å; E185-S188 PolarHBondContact O-N 2.77Å; E185-S188 PolarHBondContact O-OG 3.01Å; E185-E189 WeakPolarHBondContact O-CG 3.18Å; E185-E189 PolarHBondContact O-N 3.04Å; E185-E189 VanDerWaalsContact O-N 3.15Å
186K90.6Very high82.7Confident67 Ų6761.9 Ų61.929%0.29134%0.344SS..Hα-helixtrans-64.2-37.3179.4-162.474.9-157.8154.20113.6V182 I183 C184 E189 S190V182-K186 WeakPolarHBondContact O-CB 3.3Å; V182-K186 PolarHBondContact O-N 2.96Å; I183-K186 PolarHBondContact O-N 2.64Å; C184-K186 VanDerWaalsContact C-N 3.32Å; C184-K186 PolarHBondContact O-N 3.35Å; K186-E189 IonicContact NZ-OE2 2.98Å; K186-E189 PolarHBondContact NZ-OE2 2.9Å; K186-S190 PolarHBondContact O-N 3.07Å; K186-S190 PolarHBondContact O-OG 2.96Å
187M87.3Confident80.2Confident51 Ų5165.9 Ų65.925%0.25138%0.378SS..Hα-helixtrans-68.2-38.6176.2-74.2-168.2-55.200112Y21 F23 M96 I183 C184 E185 S190 L191Y21-M187 HydrophobicContact CD1-CE 4.39Å; F23-M187 HydrophobicContact CE1-CE 3.31Å; F23-M187 HydrophobicContact CE1-SD 3.95Å; F23-M187 HydrophobicContact CE2-CE 4.44Å; F23-M187 HydrophobicContact CZ-CE 3.26Å; F23-M187 HydrophobicContact CZ-SD 4.44Å; M96-M187 HydrophobicContact CE-CE 4.4Å; M96-M187 HydrophobicContact CE-CG 4.17Å; M96-M187 HydrophobicContact CE-SD 3.42Å; M96-M187 WeakPolarHBondContact CE-SD 3.26Å; I183-M187 HydrophobicContact CG2-CE 4.3Å; I183-M187 WeakPolarHBondContact O-CG 3.27Å; I183-M187 PolarHBondContact O-N 3.23Å; C184-M187 PolarHBondContact O-N 2.98Å; E185-M187 PolarHBondContact O-N 3.31Å; M187-S190 PolarHBondContact O-N 3.1Å; M187-L191 WeakPolarHBondContact O-CG 3.41Å; M187-L191 PolarHBondContact O-N 3.35Å
188S86.2Confident77.7Confident57 Ų5770.1 Ų70.140%0.39941%0.406SS..Hα-helixtrans-63.3-43.6175.540.80000112.5C184 E185 S190 L191 D192C184-S188 PolarHBondContact O-N 2.92Å; C184-S188 PolarHBondContact O-OG 3.03Å; E185-S188 WeakPolarHBondContact CA-OG 3.44Å; E185-S188 PolarHBondContact O-N 2.77Å; E185-S188 PolarHBondContact O-OG 3.01Å; S188-S190 PolarHBondContact O-N 2.81Å; S188-L191 PolarHBondContact O-N 3.06Å; S188-D192 PolarHBondContact O-N 3.18Å; S188-D192 VanDerWaalsContact O-N 3.09Å
189E85.3Confident74.9Confident101 Ų10172.8 Ų72.847%0.47243%0.43SS..Hα-helixtrans-58.4-34.8176.3-68.6174.2178.100112.5E185 K186 L191 T193E185-E189 WeakPolarHBondContact O-CG 3.18Å; E185-E189 PolarHBondContact O-N 3.04Å; E185-E189 VanDerWaalsContact O-N 3.15Å; K186-E189 IonicContact NZ-OE2 2.98Å; K186-E189 PolarHBondContact NZ-OE2 2.9Å; E189-L191 VanDerWaalsContact C-N 3.35Å; E189-T193 PolarHBondContact O-N 2.87Å; E189-T193 PolarHBondContact O-OG1 2.67Å
190S78.8Confident71.9Confident54 Ų5475.7 Ų75.738%0.37846%0.46SS..Hα-helixtrans-74.7-25.1179.8-56.30000112.8K186 M187 S188 T193K186-S190 PolarHBondContact O-N 3.07Å; K186-S190 PolarHBondContact O-OG 2.96Å; M187-S190 PolarHBondContact O-N 3.1Å; S188-S190 PolarHBondContact O-N 2.81Å; S190-T193 PolarHBondContact O-OG1 2.99Å
191L73.5Confident69Low125 Ų12580.4 Ų80.465%0.65450%0.499SS*.Hα-helixtrans-81.3-37.7175.7-68.5171.9000111.4M187 S188 E189 T193 A194M187-L191 WeakPolarHBondContact O-CG 3.41Å; M187-L191 PolarHBondContact O-N 3.35Å; S188-L191 PolarHBondContact O-N 3.06Å; E189-L191 VanDerWaalsContact C-N 3.35Å; L191-T193 VanDerWaalsContact C-N 3.31Å; L191-T193 PolarHBondContact O-N 2.72Å; L191-A194 WeakPolarHBondContact O-CB 3.25Å; L191-A194 PolarHBondContact O-N 3.48Å
192D69.6Low66.2Low139 Ų13988 Ų8874%0.74353%0.53SS*.Hα-helixtrans-72.2-26.3-179.9-68.3-24.6000112.8S188 A194S188-D192 PolarHBondContact O-N 3.18Å; S188-D192 VanDerWaalsContact O-N 3.09Å; D192-A194 VanDerWaalsContact C-N 3.31Å
193T59.3Low63.1Low114 Ų11496.9 Ų96.970%0.69957%0.571SS**THydrogen-bonded Turntrans-79.6-11.8174.643.50000113.5E189 S190 L191 D195E189-T193 PolarHBondContact O-N 2.87Å; E189-T193 PolarHBondContact O-OG1 2.67Å; S190-T193 PolarHBondContact O-OG1 2.99Å; L191-T193 VanDerWaalsContact C-N 3.31Å; L191-T193 PolarHBondContact O-N 2.72Å; T193-D195 VanDerWaalsContact C-N 3.27Å; T193-D195 PolarHBondContact O-N 3.06Å
194A52.6Low60Low68 Ų68100 Ų10056%0.56260%0.604SS**SBendtrans-78.480.8170.600000109.3L191 D192L191-A194 WeakPolarHBondContact O-CB 3.25Å; L191-A194 PolarHBondContact O-N 3.48Å; D192-A194 VanDerWaalsContact C-N 3.31Å
195D41.9Very low57.6Low126 Ų126104.2 Ų104.267%0.67463%0.631SS**  trans-45.6122.3177.1-123.3-25.4000111.2T193 A197T193-D195 VanDerWaalsContact C-N 3.27Å; T193-D195 PolarHBondContact O-N 3.06Å; D195-A197 PolarHBondContact O-N 3.5Å
196P48.1Very low54.7Low106 Ų106109 Ų10969%0.68865%0.653SS**G310 helixtrans-64.2-7.5178.6-11.520.5000113.6V198 T199P196-V198 VanDerWaalsContact C-N 3.25Å; P196-V198 PolarHBondContact O-N 3.01Å; P196-T199 PolarHBondContact O-OG1 2.57Å
197A47.8Very low52.1Low85 Ų85114.2 Ų114.270%0.70268%0.683SS**G310 helixtrans-75.6-1.8-174.500000115.1D195D195-A197 PolarHBondContact O-N 3.5Å
198V44.6Very low49.7Very low133 Ų133116.5 Ų116.581%0.80670%0.704SS**G310 helixtrans-112.440.9173.7-161.10000111.4P196 G200P196-V198 VanDerWaalsContact C-N 3.25Å; P196-V198 PolarHBondContact O-N 3.01Å; V198-G200 VanDerWaalsContact C-N 3.33Å
199T38.1Very low47.5Very low124 Ų124121.7 Ų121.776%0.76173%0.727SS**  trans-102.638.7158.254.50000110.8P196 A201P196-T199 PolarHBondContact O-OG1 2.57Å; T199-A201 VanDerWaalsContact C-N 3.33Å; T199-A201 PolarHBondContact O-N 3.48Å
200G35.2Very low45.1Very low60 Ų60125.4 Ų125.462%0.61975%0.745SS**  trans-71.893159.900000108.4V198 K202V198-G200 VanDerWaalsContact C-N 3.33Å; G200-K202 VanDerWaalsContact C-N 3.33Å; G200-K202 PolarHBondContact O-N 2.93Å
201A36.4Very low42.9Very low99 Ų99131.6 Ų131.682%0.81877%0.768SS**  trans-4790.4174.500000111.8T199T199-A201 VanDerWaalsContact C-N 3.33Å; T199-A201 PolarHBondContact O-N 3.48Å
202K36.5Very low41.3Very low200 Ų200131.9 Ų131.987%0.8777%0.774SS**  trans-92102.6164.3-74.9-167.8176.1-1790107.2G200G200-K202 VanDerWaalsContact C-N 3.33Å; G200-K202 PolarHBondContact O-N 2.93Å
203Q32.3Very low39.8Very low200 Ų200130.4 Ų130.494%0.93577%0.772SS**  trans-56.5130.9168.9-68.9170-10.700110.1
204G28.8Very low39Very low70 Ų70130.7 Ų130.772%0.72278%0.776SS**  trans128.3154.216400000114.1
205P43.6Very low38.6Very low122 Ų122135.4 Ų135.479%0.79279%0.786SS**  cis-115.71435.133.3-17.2000113.3L207P205-L207 PolarHBondContact O-N 3.04Å
206Q32.8Very low38.6Very low188 Ų188138.1 Ų138.188%0.87980%0.795SS**  trans-62.4117.2170-163.2159.5-0.200109.1S208Q206-S208 PolarHBondContact O-N 3.03Å
207L34.9Very low38.5Very low176 Ų176139.4 Ų139.492%0.92180%0.796SS**  trans-66.798.3174.5-71.9160.7000108.4P205 D209P205-L207 PolarHBondContact O-N 3.04Å; L207-D209 PolarHBondContact O-N 3.27Å
208S38.5Very low38.1Very low100 Ų100141.4 Ų141.470%0.69980%0.803SS**  trans-75116166.456.30000108.7Q206 Q210Q206-S208 PolarHBondContact O-N 3.03Å; S208-Q210 PolarHBondContact O-N 3.26Å
209D38.3Very low37.7Very low165 Ų165139.3 Ų139.388%0.88280%0.8SS**  trans-51.3107.5169-118.7-23000109.4L207 Q211L207-D209 PolarHBondContact O-N 3.27Å; D209-Q211 PolarHBondContact O-N 3.18Å; D209-Q211 VanDerWaalsContact O-N 3.08Å
210Q35.1Very low38.4Very low179 Ų179143.4 Ų143.484%0.83683%0.831SS**  trans-72.6101.1172.2-88.1179.5-23.400108.2S208 V212S208-Q210 PolarHBondContact O-N 3.26Å; Q210-V212 PolarHBondContact O-N 2.83Å
211Q33.7Very low38.6Very low185 Ų185147.6 Ų147.686%0.86484%0.842SS**PPolyproline II helixtrans-55118.8164.5-77.2174.1-35.400109.7D209D209-Q211 PolarHBondContact O-N 3.18Å; D209-Q211 VanDerWaalsContact O-N 3.08Å
212V39.5Very low38.7Very low130 Ų130150.1 Ų150.179%0.78884%0.843SS**PPolyproline II helixtrans-58.2130.4173178.80000109.3Q210Q210-V212 PolarHBondContact O-N 2.83Å
213P38.1Very low38.8Very low108 Ų108147.3 Ų147.370%0.70184%0.842SS**PPolyproline II helixtrans-69.9142.9-179.3-8.522.9000111H215P213-H215 PolarHBondContact O-N 2.84Å
214P42.5Very low39.2Very low120 Ų120144.2 Ų144.278%0.77984%0.836SS**PPolyproline II helixtrans-68.8126.8177.526.5-31.3000110.9Q216P214-Q216 PolarHBondContact O-N 3.18Å
215H43.8Very low39.9Very low167 Ų167148.9 Ų148.977%0.77384%0.843SS**  trans-59.4104.9171-134.4-91.2000108.9P213 D217P213-H215 PolarHBondContact O-N 2.84Å; H215-D217 IonicContact CE1-OD2 3.66Å; H215-D217 PolarHBondContact CE1-OD2 3.24Å; H215-D217 IonicContact ND1-OD2 3.44Å; H215-D217 PolarHBondContact ND1-OD2 3.44Å; H215-D217 PolarHBondContact O-N 2.99Å
216Q42.5Very low39.6Very low183 Ų183150.7 Ų150.786%0.85585%0.847SS**  trans-83.896.5159.8-77.3-178.4-6.500106.8P214P214-Q216 PolarHBondContact O-N 3.18Å
217D45Very low40.1Very low134 Ų134148 Ų14872%0.71785%0.845SS**  trans-105.2116.3155.6-85.4-39.9000109H215H215-D217 IonicContact CE1-OD2 3.66Å; H215-D217 PolarHBondContact CE1-OD2 3.24Å; H215-D217 IonicContact ND1-OD2 3.44Å; H215-D217 PolarHBondContact ND1-OD2 3.44Å; H215-D217 PolarHBondContact O-N 2.99Å
218C40.5Very low40.5Very low126 Ų126145.8 Ų145.885%0.85184%0.839SS**  trans-73.4145.6-175.3-162.40000110.3
219A36.5Very low40.7Very low90 Ų90149.7 Ų149.774%0.74485%0.85SS**  trans-60.2133.8176.100000112.8
220C52.9Low40.9Very low209 Ų209148.3 Ų148.3100%1.41285%0.847SS**  trans-162.60134.8-87.10000107.9

Retrieved 220 of 220 residues in 243.6 ms (Link to these results)