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Ribonuclease J 2

An RNase that has 5'-3' exonuclease and possibly endoonuclease activity. Involved in maturation of rRNA and in some organisms also mRNA maturation and/or decay (By similarity).

AlphaFold DB (Q2FZ19), UniProt , Accession Q99UJ7, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene rnj2, Length 557 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
1M59Low86.5Confident209 Ų20990.5 Ų90.5100%1.0344%0.443SS*.  0134.90-83.2-179-171.600106.7L3M1-L3 PolarHBondContact O-N 3.34Å
2S81.8Confident87.5Confident90 Ų9086.1 Ų86.163%0.62942%0.418SS*.  trans-58.2130.6175.7-178.50000110.2I4S2-I4 WeakPolarHBondContact OG-CB 3.48Å; S2-I4 PolarHBondContact OG-N 3.4Å; S2-I4 VanDerWaalsContact OG-N 3.14Å; S2-I4 PolarHBondContact OG-O 3.14Å
3L84.3Confident88.3Confident25 Ų2579.8 Ų79.813%0.13139%0.388CS..SBendtrans-79.2-13170.8-65.6173.5000111.5M1 I129 N136 H155M1-L3 PolarHBondContact O-N 3.34Å; L3-I129 HydrophobicContact CD2-CD1 3.88Å; L3-I129 HydrophobicContact CD2-CG1 4.31Å; L3-I129 HydrophobicContact CD2-CG2 3.92Å; L3-N136 HydrophobicContact CD2-CB 4.42Å; L3-N136 PolarHBondContact O-ND2 3.02Å; L3-H155 HydrophobicContact CB-CB 3.93Å; L3-H155 VanDerWaalsContact CD1-CE1 3.42Å; L3-H155 WeakPolarHBondContact CD1-CE1 3.17Å
4I85Confident89.1Confident84 Ų8474.1 Ų74.143%0.43136%0.36SS..  trans-79.4126.1175.8-54.2175.7000109.4S2S2-I4 WeakPolarHBondContact OG-CB 3.48Å; S2-I4 PolarHBondContact OG-N 3.4Å; S2-I4 VanDerWaalsContact OG-N 3.14Å; S2-I4 PolarHBondContact OG-O 3.14Å
5K83.8Confident89.7Confident89 Ų8969.5 Ų69.539%0.38734%0.338SS..  trans-92.6-44.4-180-74.1-163.9162.4-178.60114.2F132 N136K5-F132 WeakPolarHBondContact CD-O 3.3Å; K5-F132 WeakPolarHBondContact CE-O 3.37Å; K5-F132 PolarHBondContact NZ-O 3.36Å; K5-N136 WeakPolarHBondContact CE-OD1 3.32Å
6K90.4Very high90.2Very high80 Ų8065.1 Ų65.135%0.34832%0.317SS..SBendtrans-159.3169-173.463.9173.7-164172.90109.4N8 D32 N134 S157K6-N8 PolarHBondContact O-N 2.89Å; K6-D32 WeakPolarHBondContact CE-OD2 3.1Å; K6-D32 IonicContact NZ-OD2 3.76Å; K6-D32 PolarHBondContact NZ-OD2 3.41Å; K6-N134 VanDerWaalsContact CE-OD1 3.26Å; K6-N134 WeakPolarHBondContact CE-OD1 3.41Å; K6-N134 PolarHBondContact NZ-OD1 2.57Å; K6-S157 WeakPolarHBondContact O-CB 3.45Å
7K91.4Very high90.7Very high163 Ų16361.3 Ų61.371%0.70930%0.298SS*.  trans-69118.1166.5-171.2170.8-177.2174.90109.5
8N93.1Very high91Very high1 Ų157.9 Ų57.91%0.00528%0.281CS..  trans-81.7146.4174.4-58107.5000109.9K6 V31 D32 N134 T156 S157 Y158K6-N8 PolarHBondContact O-N 2.89Å; N8-V31 HydrophobicContact CB-CG1 3.98Å; N8-V31 WeakPolarHBondContact ND2-CG1 3.47Å; N8-D32 PolarHBondContact ND2-OD2 3.07Å; N8-D32 VanDerWaalsContact ND2-OD2 3.07Å; N8-N134 PolarHBondContact ND2-O 2.59Å; N8-T156 WeakPolarHBondContact OD1-CA 3.42Å; N8-T156 WeakPolarHBondContact OD1-CB 3.45Å; N8-S157 PolarHBondContact N-OG 3.09Å; N8-S157 PolarHBondContact OD1-N 2.95Å; N8-Y158 HydrophobicContact CB-CE2 4.3Å; N8-Y158 WeakPolarHBondContact O-CE2 3.49Å; N8-Y158 PolarHBondContact O-OH 2.77Å
9K91.1Very high91.3Very high157 Ų15754.9 Ų54.968%0.68327%0.267SS*.  trans-105.3-49.2-177.9-65.6-178.5179.1-178.70111.1D32K9-D32 PolarHBondContact N-OD1 3.32Å
10D94.2Very high91.4Very high96 Ų9654.2 Ų54.251%0.51328%0.275SS..  trans-117.5127.8-172.8-55.4-44.4000109.4V31 D32D10-V31 WeakPolarHBondContact O-CA 3.42Å; D10-D32 PolarHBondContact N-OD1 2.92Å; D10-D32 PolarHBondContact O-N 3.26Å
11I97.6Very high91.5Very high1 Ų152.5 Ų52.51%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-130.5130.7173.1-65.8173.3000107.3E30 V31 T156 Y158 I161 F193 Y426I11-E30 WeakPolarHBondContact CA-O 3.5Å; I11-V31 HydrophobicContact CG1-CG1 4.36Å; I11-T156 HydrophobicContact CD1-CG2 4.07Å; I11-Y158 HydrophobicContact CD1-CD2 3.73Å; I11-Y158 HydrophobicContact CD1-CE2 4.21Å; I11-I161 HydrophobicContact CG2-CD1 3.62Å; I11-F193 HydrophobicContact CD1-CD1 4.23Å; I11-F193 HydrophobicContact CD1-CE1 3.97Å; I11-Y426 PolarHBondContact O-N 2.89Å
12R98.3Very high93Very high38 Ų3845.5 Ų45.514%0.14323%0.232CC..EExtended strand (participates in β ladder)trans-134.5135.2179-45.7179.459.7-159.810.9109.8V29 E30 Y61 V423 I424 N425 E435R12-V29 CarbonylContact O-C 3.54Å; R12-V29 WeakPolarHBondContact O-CA 3.44Å; R12-E30 HydrophobicContact CB-CB 4.08Å; R12-E30 VanDerWaalsContact CD-OE2 3.31Å; R12-E30 WeakPolarHBondContact CD-OE2 3.5Å; R12-E30 HydrophobicContact CG-CB 4.39Å; R12-E30 IonicContact CZ-OE2 2.76Å; R12-E30 PolarHBondContact N-O 3.46Å; R12-E30 IonicContact NE-OE2 3.76Å; R12-E30 IonicContact NH1-OE2 3.83Å; R12-E30 PolarHBondContact NH1-OE2 3.33Å; R12-E30 PolarHBondContact O-N 2.98Å; R12-Y61 PolarHBondContact NH1-OH 3.25Å; R12-V423 HydrophobicContact CB-CG1 4.31Å; R12-I424 WeakPolarHBondContact CA-O 3.26Å; R12-N425 WeakPolarHBondContact CD-OD1 3.44Å; R12-N425 WeakPolarHBondContact CG-OD1 2.92Å; R12-N425 PolarHBondContact NE-OD1 3.49Å; R12-E435 IonicContact CZ-OE1 2.85Å; R12-E435 IonicContact CZ-OE2 3.56Å; R12-E435 IonicContact NE-OE2 3.56Å; R12-E435 IonicContact NH2-OE1 3.98Å; R12-E435 PolarHBondContact NH2-OE1 2.69Å; R12-E435 IonicContact NH2-OE2 2.79Å; R12-E435 PolarHBondContact NH2-OE2 3.14Å
13I98.6Very high93.5Very high5 Ų541.4 Ų41.43%0.02620%0.203CC..EExtended strand (participates in β ladder)trans-124.3125176.3-56.8174.3000108I28 V29 I161 V194 I196 I389 I424 M431I13-I28 CarbonylContact C-O 3.55Å; I13-I28 WeakPolarHBondContact CA-O 3.33Å; I13-V29 HydrophobicContact CG1-CG2 4.44Å; I13-I161 HydrophobicContact CD1-CG2 4.26Å; I13-V194 HydrophobicContact CD1-CB 4.16Å; I13-V194 HydrophobicContact CD1-CG1 3.79Å; I13-V194 HydrophobicContact CD1-CG2 4Å; I13-I196 HydrophobicContact CD1-CD1 4.49Å; I13-I196 HydrophobicContact CG2-CD1 4.09Å; I13-I389 HydrophobicContact CB-CD1 4.43Å; I13-I389 HydrophobicContact CD1-CD1 3.81Å; I13-I389 HydrophobicContact CG2-CD1 3.99Å; I13-I424 HydrophobicContact CB-CB 4.48Å; I13-I424 PolarHBondContact N-O 2.76Å; I13-I424 PolarHBondContact O-N 2.99Å; I13-M431 HydrophobicContact CD1-CE 4.15Å
14I98.6Very high93.9Very high0 Ų040.2 Ų40.20%020%0.197CC..EExtended strand (participates in β ladder)trans-136.2103.6-171-46175.1000109.2L16 I28 Y61 V423 V437I14-L16 HydrophobicContact CG2-CD2 4.07Å; I14-L16 PolarHBondContact O-N 3.07Å; I14-I28 HydrophobicContact CB-CB 4.17Å; I14-I28 PolarHBondContact N-O 3.24Å; I14-I28 PolarHBondContact O-N 3.48Å; I14-Y61 HydrophobicContact CD1-CD1 4.37Å; I14-Y61 HydrophobicContact CD1-CE1 3.57Å; I14-Y61 HydrophobicContact CD1-CE2 4.3Å; I14-Y61 VanDerWaalsContact CD1-CZ 3.5Å; I14-Y61 WeakPolarHBondContact CD1-OH 3.43Å; I14-V423 HydrophobicContact CD1-CG1 4.24Å; I14-V423 HydrophobicContact CD1-CG2 4.1Å; I14-V423 HydrophobicContact CG1-CB 4.34Å; I14-V423 HydrophobicContact CG1-CG1 3.97Å; I14-V423 HydrophobicContact CG1-CG2 4.02Å; I14-V423 HydrophobicContact CG2-CG2 4.35Å; I14-V437 HydrophobicContact CD1-CG1 4.42Å; I14-V437 HydrophobicContact CG2-CG2 3.53Å
15P98.3Very high94.6Very high4 Ų436.2 Ų36.23%0.02618%0.176CC..EExtended strand (participates in β ladder)trans-72.2122.4169.130.8-35.3000110.3V19 Y27 V418 E419 G421 D422P15-V19 HydrophobicContact CB-CB 4.34Å; P15-V19 HydrophobicContact CB-CG1 3.61Å; P15-V19 HydrophobicContact CB-CG2 3.72Å; P15-V19 HydrophobicContact CG-CG1 4.16Å; P15-V19 HydrophobicContact CG-CG2 3.94Å; P15-Y27 HydrophobicContact CB-CD1 3.91Å; P15-Y27 HydrophobicContact CB-CE1 4.27Å; P15-V418 HydrophobicContact CG-CB 4.27Å; P15-V418 HydrophobicContact CG-CG2 3.83Å; P15-E419 WeakPolarHBondContact CG-O 3.47Å; P15-G421 PolarHBondContact O-N 2.98Å; P15-D422 WeakPolarHBondContact CD-O 3.42Å
16L98.3Very high95.3Very high0 Ų032 Ų320%016%0.158CC..EExtended strand (participates in β ladder)trans-96.4-21.7171.2-62.3-178.9000111.9I14 M26 I28 P57 V62 V437I14-L16 HydrophobicContact CG2-CD2 4.07Å; I14-L16 PolarHBondContact O-N 3.07Å; L16-M26 HydrophobicContact CB-CB 4.4Å; L16-M26 HydrophobicContact CB-CG 4.24Å; L16-M26 HydrophobicContact CB-SD 4.12Å; L16-M26 HydrophobicContact CD1-SD 3.97Å; L16-M26 PolarHBondContact N-O 3.46Å; L16-I28 HydrophobicContact CD1-CD1 4.09Å; L16-I28 HydrophobicContact CD1-CG1 3.67Å; L16-I28 HydrophobicContact CG-CG1 4.03Å; L16-P57 HydrophobicContact CB-CB 4.25Å; L16-V62 HydrophobicContact CD1-CG2 3.76Å; L16-V437 HydrophobicContact CD2-CG2 4.23Å
17G97.7Very high95.7Very high0 Ų028.3 Ų28.30%014%0.142CC..EExtended strand (participates in β ladder)trans-158.9171.9173.500000111.7E21 K24 M26 Y27G17-E21 WeakPolarHBondContact CA-OE1 3.35Å; G17-K24 CarbonylContact C-O 3.57Å; G17-K24 VanDerWaalsContact C-O 3.29Å; G17-K24 VanDerWaalsContact CA-O 3.31Å; G17-K24 WeakPolarHBondContact CA-O 3.33Å; G17-M26 PolarHBondContact N-O 3.44Å; G17-Y27 VanDerWaalsContact O-CE1 3.29Å; G17-Y27 WeakPolarHBondContact O-CE1 3.48Å
18G96.1Very high96Very high0 Ų020.5 Ų20.50%011%0.108CC..SBendtrans71.727.8-179.900000114E21 A23 K24 Y27 Q392G18-E21 PolarHBondContact N-OE1 3.37Å; G18-A23 VanDerWaalsContact CA-O 3.27Å; G18-A23 WeakPolarHBondContact CA-O 3.47Å; G18-A23 PolarHBondContact N-O 3.24Å; G18-K24 PolarHBondContact N-O 2.92Å; G18-Y27 PolarHBondContact O-OH 3.01Å; G18-Q392 WeakPolarHBondContact O-CA 3.3Å; G18-Q392 PolarHBondContact O-N 2.89Å
19V96.8Very high96.3Very high1 Ų120.5 Ų20.51%0.00611%0.108CC..SBendtrans-131.9133.8168.7-640000109.8P15 E21 Y27 V391 V418 K420P15-V19 HydrophobicContact CB-CB 4.34Å; P15-V19 HydrophobicContact CB-CG1 3.61Å; P15-V19 HydrophobicContact CB-CG2 3.72Å; P15-V19 HydrophobicContact CG-CG1 4.16Å; P15-V19 HydrophobicContact CG-CG2 3.94Å; V19-E21 PolarHBondContact O-N 3.26Å; V19-Y27 HydrophobicContact CG1-CE1 4.08Å; V19-V391 HydrophobicContact CG1-CB 4.18Å; V19-V391 HydrophobicContact CG1-CG1 3.88Å; V19-V418 HydrophobicContact CG1-CG2 4.21Å; V19-K420 HydrophobicContact CG2-CB 4.43Å; V19-K420 HydrophobicContact CG2-CG 3.71Å
20G94.5Very high96.6Very high41 Ų4113.2 Ų13.242%0.4238%0.077SC..SBendtrans65.514.1-17000000113.6G393G20-G393 CarbonylContact C-O 3.57Å; G20-G393 PolarHBondContact N-O 2.91Å
21E93.1Very high96.8Very high18 Ų188.7 Ų8.78%0.0845%0.052CC..BIsolated β-bridgetrans-154.9161.7-177.166.9-169.3-179.900109.6G17 G18 V19 K24 G393 K420G17-E21 WeakPolarHBondContact CA-OE1 3.35Å; G18-E21 PolarHBondContact N-OE1 3.37Å; V19-E21 PolarHBondContact O-N 3.26Å; E21-K24 WeakPolarHBondContact OE1-CE 3.47Å; E21-K24 IonicContact OE1-NZ 3.61Å; E21-K24 PolarHBondContact OE1-NZ 2.92Å; E21-K24 IonicContact OE2-NZ 3.7Å; E21-K24 PolarHBondContact OE2-NZ 3.34Å; E21-G393 PolarHBondContact N-O 3.34Å; E21-G393 VanDerWaalsContact N-O 3.16Å; E21-G393 CarbonylContact O-C 3.55Å; E21-G393 VanDerWaalsContact O-C 3.27Å; E21-G393 WeakPolarHBondContact O-CA 3.43Å; E21-G393 PolarHBondContact O-N 3.28Å; E21-K420 IonicContact OE1-NZ 3.5Å; E21-K420 IonicContact OE2-NZ 3.55Å; E21-K420 PolarHBondContact OE2-NZ 3.35Å
22I90Very high96.7Very high63 Ų6310 Ų1032%0.3236%0.059SC..SBendtrans-100.3138.9169.1-62.2174.5000107.7E394 M397I22-E394 HydrophobicContact CG1-CG 4.42Å; I22-M397 HydrophobicContact CD1-CE 3.96Å; I22-M397 HydrophobicContact CD1-SD 4.13Å; I22-M397 HydrophobicContact CG1-SD 4.39Å
23A91.8Very high96.6Very high3 Ų311.4 Ų11.43%0.0257%0.07CC..SBendtrans78.3-173.1-176.900000114.4G18 N25 M43 H80G18-A23 VanDerWaalsContact CA-O 3.27Å; G18-A23 WeakPolarHBondContact CA-O 3.47Å; G18-A23 PolarHBondContact N-O 3.24Å; A23-N25 PolarHBondContact O-N 3.19Å; A23-M43 HydrophobicContact CB-CB 4.08Å; A23-M43 HydrophobicContact CB-CG 4.27Å; A23-H80 HydrophobicContact CB-CB 3.78Å; A23-H80 WeakPolarHBondContact CB-CD2 3.49Å
24K94.5Very high96.6Very high0 Ų011.5 Ų11.50%07%0.07CC..  trans60.532-179.7-135.6179.462.1-134.30114G17 G18 E21 M26 L42 M43 V55 P57 N441G17-K24 CarbonylContact C-O 3.57Å; G17-K24 VanDerWaalsContact C-O 3.29Å; G17-K24 VanDerWaalsContact CA-O 3.31Å; G17-K24 WeakPolarHBondContact CA-O 3.33Å; G18-K24 PolarHBondContact N-O 2.92Å; E21-K24 WeakPolarHBondContact OE1-CE 3.47Å; E21-K24 IonicContact OE1-NZ 3.61Å; E21-K24 PolarHBondContact OE1-NZ 2.92Å; E21-K24 IonicContact OE2-NZ 3.7Å; E21-K24 PolarHBondContact OE2-NZ 3.34Å; K24-M26 PolarHBondContact O-N 2.98Å; K24-L42 PolarHBondContact N-O 2.98Å; K24-L42 VanDerWaalsContact N-O 3.07Å; K24-M43 HydrophobicContact CB-CB 3.97Å; K24-M43 HydrophobicContact CD-CB 4.2Å; K24-M43 HydrophobicContact CG-CB 4.17Å; K24-V55 HydrophobicContact CD-CB 4.46Å; K24-V55 HydrophobicContact CD-CG1 3.94Å; K24-P57 HydrophobicContact CD-CG 4.18Å; K24-P57 HydrophobicContact CG-CG 3.72Å; K24-N441 PolarHBondContact NZ-OD1 2.8Å
25N97.8Very high96.6Very high0 Ų011.5 Ų11.50%07%0.07CC..  trans-57.8121.4-175.8-63.9-36.4000110.8A23 Y27 D39 A40 G41 H80 E166 Q392A23-N25 PolarHBondContact O-N 3.19Å; N25-Y27 HydrophobicContact CB-CE2 3.96Å; N25-Y27 PolarHBondContact OD1-OH 3.21Å; N25-Y27 VanDerWaalsContact OD1-OH 3.14Å; N25-D39 HydrophobicContact CB-CB 4.06Å; N25-D39 CarbonylContact O-C 3.5Å; N25-A40 WeakPolarHBondContact O-CA 3.28Å; N25-A40 PolarHBondContact O-N 3.09Å; N25-G41 PolarHBondContact O-N 2.79Å; N25-H80 WeakPolarHBondContact CB-O 3.3Å; N25-H80 PolarHBondContact N-O 2.83Å; N25-H80 VanDerWaalsContact N-O 3.12Å; N25-H80 PolarHBondContact ND2-O 3.12Å; N25-E166 PolarHBondContact ND2-OE1 3.34Å; N25-E166 VanDerWaalsContact ND2-OE1 3.1Å; N25-Q392 PolarHBondContact ND2-NE2 3.41Å; N25-Q392 PolarHBondContact OD1-NE2 2.88Å; N25-Q392 PolarHBondContact OD1-OE1 3.19Å
26M98.6Very high96.6Very high0 Ų011.3 Ų11.30%07%0.069CC..EExtended strand (participates in β ladder)trans-159112.2172.9-173.5-178.5-70.500109.4L16 G17 K24 M37 A40 P57 I59 A84 V88L16-M26 HydrophobicContact CB-CB 4.4Å; L16-M26 HydrophobicContact CB-CG 4.24Å; L16-M26 HydrophobicContact CB-SD 4.12Å; L16-M26 HydrophobicContact CD1-SD 3.97Å; L16-M26 PolarHBondContact N-O 3.46Å; G17-M26 PolarHBondContact N-O 3.44Å; K24-M26 PolarHBondContact O-N 2.98Å; M26-M37 HydrophobicContact CE-SD 4.38Å; M26-M37 HydrophobicContact CG-CG 4.22Å; M26-M37 HydrophobicContact CG-SD 4.4Å; M26-M37 HydrophobicContact SD-CE 4.09Å; M26-M37 HydrophobicContact SD-SD 4.43Å; M26-A40 HydrophobicContact CE-CB 3.69Å; M26-P57 HydrophobicContact CB-CB 4.4Å; M26-P57 HydrophobicContact CB-CG 3.84Å; M26-P57 HydrophobicContact CE-CB 4.1Å; M26-P57 HydrophobicContact CE-CG 3.77Å; M26-P57 HydrophobicContact SD-CB 3.82Å; M26-P57 HydrophobicContact SD-CG 3.97Å; M26-I59 HydrophobicContact CE-CG2 3.89Å; M26-I59 HydrophobicContact SD-CG2 3.61Å; M26-A84 HydrophobicContact CE-CB 4.47Å; M26-V88 HydrophobicContact CE-CG2 3.9Å
27Y98.7Very high96.7Very high3 Ų311.3 Ų11.31%0.0127%0.069CC..EExtended strand (participates in β ladder)trans-124.3131-178.4-44-79000110.1P15 G17 G18 V19 N25 L38 Y163 V391P15-Y27 HydrophobicContact CB-CD1 3.91Å; P15-Y27 HydrophobicContact CB-CE1 4.27Å; G17-Y27 VanDerWaalsContact O-CE1 3.29Å; G17-Y27 WeakPolarHBondContact O-CE1 3.48Å; G18-Y27 PolarHBondContact O-OH 3.01Å; V19-Y27 HydrophobicContact CG1-CE1 4.08Å; N25-Y27 HydrophobicContact CB-CE2 3.96Å; N25-Y27 PolarHBondContact OD1-OH 3.21Å; N25-Y27 VanDerWaalsContact OD1-OH 3.14Å; Y27-L38 HydrophobicContact CD2-CB 4.44Å; Y27-L38 PolarHBondContact N-O 3.22Å; Y27-L38 PolarHBondContact O-N 2.7Å; Y27-Y163 HydrophobicContact CD2-CE1 4.23Å; Y27-Y163 HydrophobicContact CD2-CE2 4.05Å; Y27-Y163 AromaticContact CD2-CZ 3.87Å; Y27-Y163 HydrophobicContact CE2-CE1 4.37Å; Y27-Y163 AromaticContact CE2-CE2 3.77Å; Y27-Y163 HydrophobicContact CE2-CE2 3.77Å; Y27-Y163 AromaticContact CE2-CZ 3.6Å; Y27-Y163 WeakPolarHBondContact CE2-OH 3.44Å; Y27-V391 HydrophobicContact CD1-CG1 4.26Å; Y27-V391 HydrophobicContact CE1-CB 3.68Å; Y27-V391 HydrophobicContact CE1-CG1 3.69Å; Y27-V391 HydrophobicContact CE1-CG2 4.13Å; Y27-V391 HydrophobicContact CE2-CG2 4.29Å; Y27-V391 WeakPolarHBondContact OH-CB 3.23Å
28I98.7Very high96.7Very high0 Ų011.4 Ų11.40%07%0.069CC..EExtended strand (participates in β ladder)trans-99.8130.9175.6-53.2-56.7000109.1I13 I14 L16 E30 M35 M37 Y61 V62I13-I28 CarbonylContact C-O 3.55Å; I13-I28 WeakPolarHBondContact CA-O 3.33Å; I14-I28 HydrophobicContact CB-CB 4.17Å; I14-I28 PolarHBondContact N-O 3.24Å; I14-I28 PolarHBondContact O-N 3.48Å; L16-I28 HydrophobicContact CD1-CD1 4.09Å; L16-I28 HydrophobicContact CD1-CG1 3.67Å; L16-I28 HydrophobicContact CG-CG1 4.03Å; I28-E30 HydrophobicContact CG2-CG 4.15Å; I28-M35 HydrophobicContact CG2-CE 4.27Å; I28-M35 HydrophobicContact CG2-CG 3.45Å; I28-M35 VanDerWaalsContact CG2-CG 3.45Å; I28-M35 HydrophobicContact CG2-SD 3.9Å; I28-M37 HydrophobicContact CD1-CB 3.91Å; I28-M37 HydrophobicContact CD1-CE 3.94Å; I28-M37 HydrophobicContact CD1-CG 3.95Å; I28-Y61 HydrophobicContact CG2-CE1 4.43Å; I28-V62 HydrophobicContact CD1-CG2 3.79Å; I28-V62 HydrophobicContact CG1-CG2 4.18Å
29V98.7Very high96.8Very high0 Ų011.4 Ų11.40%07%0.069CC..EExtended strand (participates in β ladder)trans-119.3114.1169.1-176.90000108.3R12 I13 V31 F36 L38 I154 I161 I196R12-V29 CarbonylContact O-C 3.54Å; R12-V29 WeakPolarHBondContact O-CA 3.44Å; I13-V29 HydrophobicContact CG1-CG2 4.44Å; V29-V31 HydrophobicContact CG1-CG2 4.17Å; V29-F36 PolarHBondContact N-O 2.94Å; V29-F36 WeakPolarHBondContact O-CD2 3.44Å; V29-F36 PolarHBondContact O-N 3.25Å; V29-L38 HydrophobicContact CG2-CD1 3.86Å; V29-L38 HydrophobicContact CG2-CG 4.43Å; V29-I154 HydrophobicContact CB-CD1 3.74Å; V29-I154 HydrophobicContact CG1-CD1 3.77Å; V29-I154 HydrophobicContact CG2-CD1 4.11Å; V29-I161 HydrophobicContact CG1-CD1 3.74Å; V29-I161 HydrophobicContact CG1-CG2 4.43Å; V29-I161 HydrophobicContact CG2-CG2 4.41Å; V29-I196 HydrophobicContact CG2-CD1 4.45Å
30E98.3Very high96.9Very high5 Ų511.3 Ų11.32%0.0237%0.069CC..EExtended strand (participates in β ladder)trans-97.2133170.5-55.1-162.8126.800109.7I11 R12 I28 E34 M35 Y61 K68I11-E30 WeakPolarHBondContact CA-O 3.5Å; R12-E30 HydrophobicContact CB-CB 4.08Å; R12-E30 VanDerWaalsContact CD-OE2 3.31Å; R12-E30 WeakPolarHBondContact CD-OE2 3.5Å; R12-E30 HydrophobicContact CG-CB 4.39Å; R12-E30 IonicContact CZ-OE2 2.76Å; R12-E30 PolarHBondContact N-O 3.46Å; R12-E30 IonicContact NE-OE2 3.76Å; R12-E30 IonicContact NH1-OE2 3.83Å; R12-E30 PolarHBondContact NH1-OE2 3.33Å; R12-E30 PolarHBondContact O-N 2.98Å; I28-E30 HydrophobicContact CG2-CG 4.15Å; E30-E34 CarbonylContact C-O 3.56Å; E30-E34 WeakPolarHBondContact CA-O 3.26Å; E30-M35 HydrophobicContact CG-CB 4.19Å; E30-M35 HydrophobicContact CG-CE 4.35Å; E30-M35 HydrophobicContact CG-CG 4.15Å; E30-M35 WeakPolarHBondContact OE1-CE 3.45Å; E30-Y61 PolarHBondContact OE1-OH 2.99Å; E30-Y61 PolarHBondContact OE2-OH 2.79Å; E30-Y61 VanDerWaalsContact OE2-OH 3.07Å; E30-K68 WeakPolarHBondContact OE1-CD 3.48Å; E30-K68 IonicContact OE1-NZ 3.06Å; E30-K68 IonicContact OE2-NZ 3.91Å
31V97.8Very high97Very high0 Ų09.4 Ų9.40%05%0.049CC..EExtended strand (participates in β ladder)trans-129.6110.6170.6-1730000109.3N8 D10 I11 V29 D33 E34 N134 V135 I154 T156N8-V31 HydrophobicContact CB-CG1 3.98Å; N8-V31 WeakPolarHBondContact ND2-CG1 3.47Å; D10-V31 WeakPolarHBondContact O-CA 3.42Å; I11-V31 HydrophobicContact CG1-CG1 4.36Å; V29-V31 HydrophobicContact CG1-CG2 4.17Å; V31-D33 PolarHBondContact O-N 3.49Å; V31-E34 PolarHBondContact N-O 3.14Å; V31-E34 PolarHBondContact O-N 2.9Å; V31-E34 VanDerWaalsContact O-N 3.12Å; V31-N134 PolarHBondContact O-ND2 2.82Å; V31-V135 HydrophobicContact CB-CG1 4.01Å; V31-V135 HydrophobicContact CG1-CG1 3.63Å; V31-V135 HydrophobicContact CG2-CG1 4.25Å; V31-I154 HydrophobicContact CG2-CG2 4.26Å; V31-T156 HydrophobicContact CG2-CG2 4.3Å
32D96Very high97.1Very high29 Ų298.8 Ų8.816%0.1555%0.046CC..THydrogen-bonded Turntrans51.5-114.4-168.5-48.2-53.1000111.7K6 N8 K9 D10K6-D32 WeakPolarHBondContact CE-OD2 3.1Å; K6-D32 IonicContact NZ-OD2 3.76Å; K6-D32 PolarHBondContact NZ-OD2 3.41Å; N8-D32 PolarHBondContact ND2-OD2 3.07Å; N8-D32 VanDerWaalsContact ND2-OD2 3.07Å; K9-D32 PolarHBondContact N-OD1 3.32Å; D10-D32 PolarHBondContact N-OD1 2.92Å; D10-D32 PolarHBondContact O-N 3.26Å
33D96.5Very high97.1Very high68 Ų686.4 Ų6.436%0.3643%0.034SC..THydrogen-bonded Turntrans-96.914.5179.865.1-44.7000114.4V31 K133 N134V31-D33 PolarHBondContact O-N 3.49Å; D33-K133 IonicContact OD1-NZ 3.97Å; D33-K133 PolarHBondContact OD1-NZ 3.02Å; D33-K133 IonicContact OD2-NZ 2.99Å; D33-K133 PolarHBondContact OD2-NZ 2.85Å; D33-N134 PolarHBondContact OD1-ND2 3.48Å
34E98.1Very high96.7Very high7 Ų78.6 Ų8.63%0.0334%0.043CC..EExtended strand (participates in β ladder)trans-118.3133.8179-65-173130.100111.5E30 V31 F36 K70 F132 K133 N134E30-E34 CarbonylContact C-O 3.56Å; E30-E34 WeakPolarHBondContact CA-O 3.26Å; V31-E34 PolarHBondContact N-O 3.14Å; V31-E34 PolarHBondContact O-N 2.9Å; V31-E34 VanDerWaalsContact O-N 3.12Å; E34-F36 HydrophobicContact CB-CE2 3.9Å; E34-F36 HydrophobicContact CB-CZ 3.68Å; E34-K70 HydrophobicContact CB-CG 3.86Å; E34-K70 HydrophobicContact CG-CD 4.38Å; E34-K70 HydrophobicContact CG-CG 3.85Å; E34-F132 WeakPolarHBondContact OE2-CB 3.49Å; E34-K133 WeakPolarHBondContact OE1-CB 3.38Å; E34-K133 PolarHBondContact OE1-N 2.87Å; E34-K133 PolarHBondContact OE2-N 3.07Å; E34-N134 WeakPolarHBondContact CG-ND2 3.25Å; E34-N134 VanDerWaalsContact OE2-CB 3.28Å; E34-N134 WeakPolarHBondContact OE2-CB 3.34Å; E34-N134 PolarHBondContact OE2-N 2.99Å
35M98.6Very high96.2Very high0 Ų010.7 Ų10.70%06%0.056CC..EExtended strand (participates in β ladder)trans-114.4135.8177.2177.9-163.7-69.700109.9I28 E30 Y61 V62 N65 K68 L69 K70I28-M35 HydrophobicContact CG2-CE 4.27Å; I28-M35 HydrophobicContact CG2-CG 3.45Å; I28-M35 VanDerWaalsContact CG2-CG 3.45Å; I28-M35 HydrophobicContact CG2-SD 3.9Å; E30-M35 HydrophobicContact CG-CB 4.19Å; E30-M35 HydrophobicContact CG-CE 4.35Å; E30-M35 HydrophobicContact CG-CG 4.15Å; E30-M35 WeakPolarHBondContact OE1-CE 3.45Å; M35-Y61 HydrophobicContact CE-CD1 4.38Å; M35-Y61 HydrophobicContact CE-CE1 3.73Å; M35-V62 HydrophobicContact SD-CG1 4.07Å; M35-V62 HydrophobicContact SD-CG2 4.44Å; M35-N65 HydrophobicContact CE-CB 3.57Å; M35-K68 HydrophobicContact CB-CB 3.79Å; M35-K68 PolarHBondContact N-O 3.46Å; M35-L69 HydrophobicContact CG-CD1 4.24Å; M35-L69 WeakPolarHBondContact O-CA 3.43Å; M35-L69 HydrophobicContact SD-CB 4.3Å; M35-L69 HydrophobicContact SD-CD1 4.11Å; M35-K70 PolarHBondContact O-N 2.97Å
36F98.8Very high95.3Very high0 Ų016 Ų160%08%0.081CC..EExtended strand (participates in β ladder)trans-124.5128.5176.6-49.8-76.9000109V29 E34 K70 F73 F132 V135 I137 I154V29-F36 PolarHBondContact N-O 2.94Å; V29-F36 WeakPolarHBondContact O-CD2 3.44Å; V29-F36 PolarHBondContact O-N 3.25Å; E34-F36 HydrophobicContact CB-CE2 3.9Å; E34-F36 HydrophobicContact CB-CZ 3.68Å; F36-K70 HydrophobicContact CD1-CB 4.16Å; F36-K70 HydrophobicContact CE1-CB 3.78Å; F36-K70 HydrophobicContact CE1-CG 4.23Å; F36-F73 HydrophobicContact CB-CD2 4.31Å; F36-F73 HydrophobicContact CB-CE2 4.21Å; F36-F73 AromaticContact CD1-CE2 3.71Å; F36-F73 HydrophobicContact CD1-CE2 3.71Å; F36-F73 HydrophobicContact CD1-CZ 4.21Å; F36-F73 HydrophobicContact CG-CE2 4.4Å; F36-F132 HydrophobicContact CE1-CB 4.27Å; F36-F132 AromaticContact CE1-CD1 3.97Å; F36-F132 HydrophobicContact CE1-CD1 3.97Å; F36-F132 AromaticContact CE1-CD2 3.75Å; F36-F132 HydrophobicContact CE1-CD2 3.75Å; F36-F132 HydrophobicContact CE1-CE1 4.29Å; F36-F132 HydrophobicContact CE1-CE2 4.09Å; F36-F132 AromaticContact CE1-CG 3.7Å; F36-F132 HydrophobicContact CE1-CG 3.7Å; F36-F132 HydrophobicContact CE1-CZ 4.36Å; F36-F132 HydrophobicContact CZ-CB 4.17Å; F36-F132 HydrophobicContact CZ-CD2 4.27Å; F36-F132 HydrophobicContact CZ-CG 4.1Å; F36-V135 HydrophobicContact CE1-CG2 4.36Å; F36-V135 HydrophobicContact CE2-CG2 3.5Å; F36-V135 VanDerWaalsContact CE2-CG2 3.5Å; F36-V135 HydrophobicContact CZ-CG2 3.33Å; F36-I137 HydrophobicContact CD1-CD1 3.5Å; F36-I137 HydrophobicContact CD2-CD1 4.42Å; F36-I137 HydrophobicContact CE1-CD1 3.71Å; F36-I137 HydrophobicContact CG-CD1 3.88Å; F36-I137 HydrophobicContact CZ-CD1 4.28Å; F36-I154 HydrophobicContact CB-CD1 4.15Å; F36-I154 HydrophobicContact CD2-CD1 4.14Å; F36-I154 HydrophobicContact CD2-CG2 4.48Å; F36-I154 HydrophobicContact CE2-CG2 4.48Å; F36-I154 HydrophobicContact CG-CD1 4.35Å
37M98.8Very high94.2Very high0 Ų022.9 Ų22.90%012%0.118CC..EExtended strand (participates in β ladder)trans-96.1125.5173.6178.4-177.3-73.600108.5M26 I28 D39 A40 V62 L69 G71 I72 F73 V88M26-M37 HydrophobicContact CE-SD 4.38Å; M26-M37 HydrophobicContact CG-CG 4.22Å; M26-M37 HydrophobicContact CG-SD 4.4Å; M26-M37 HydrophobicContact SD-CE 4.09Å; M26-M37 HydrophobicContact SD-SD 4.43Å; I28-M37 HydrophobicContact CD1-CB 3.91Å; I28-M37 HydrophobicContact CD1-CE 3.94Å; I28-M37 HydrophobicContact CD1-CG 3.95Å; M37-D39 WeakPolarHBondContact CG-O 3.46Å; M37-A40 HydrophobicContact SD-CB 4.07Å; M37-V62 HydrophobicContact CE-CB 4.48Å; M37-V62 HydrophobicContact CE-CG1 4.01Å; M37-V62 HydrophobicContact CE-CG2 3.95Å; M37-L69 HydrophobicContact CB-CD1 4.11Å; M37-G71 PolarHBondContact N-O 3.08Å; M37-G71 VanDerWaalsContact N-O 3.1Å; M37-I72 HydrophobicContact CB-CG1 4.32Å; M37-I72 HydrophobicContact CB-CG2 4.45Å; M37-I72 HydrophobicContact CG-CG2 4.19Å; M37-I72 CarbonylContact O-C 3.42Å; M37-I72 WeakPolarHBondContact O-CA 3.11Å; M37-I72 HydrophobicContact SD-CD1 4.06Å; M37-I72 HydrophobicContact SD-CG1 3.89Å; M37-I72 HydrophobicContact SD-CG2 4.01Å; M37-F73 PolarHBondContact O-N 2.87Å; M37-V88 HydrophobicContact CE-CG1 4.29Å; M37-V88 HydrophobicContact SD-CG1 4.38Å
38L98.8Very high93.4Very high1 Ų129 Ų291%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-103.5114.9175.6-54.3179.9000108.4Y27 V29 F73 V152 I154 Y163 I196Y27-L38 HydrophobicContact CD2-CB 4.44Å; Y27-L38 PolarHBondContact N-O 3.22Å; Y27-L38 PolarHBondContact O-N 2.7Å; V29-L38 HydrophobicContact CG2-CD1 3.86Å; V29-L38 HydrophobicContact CG2-CG 4.43Å; L38-F73 HydrophobicContact CD2-CB 4.07Å; L38-V152 HydrophobicContact CD2-CB 4.3Å; L38-V152 HydrophobicContact CD2-CG1 3.93Å; L38-I154 HydrophobicContact CD2-CD1 4.41Å; L38-Y163 HydrophobicContact CB-CD1 3.76Å; L38-Y163 HydrophobicContact CB-CE1 4.09Å; L38-Y163 HydrophobicContact CD1-CD1 3.9Å; L38-Y163 HydrophobicContact CD1-CG 3.9Å; L38-Y163 HydrophobicContact CG-CD1 4.31Å; L38-I196 HydrophobicContact CD1-CD1 4.46Å
39D98.7Very high92.7Very high0 Ų030.5 Ų30.50%015%0.154CC..  trans55.8160.7-170.5-68.2-18.9000114.4N25 M37 F73 L74 T75 A81 Y163N25-D39 HydrophobicContact CB-CB 4.06Å; N25-D39 CarbonylContact O-C 3.5Å; M37-D39 WeakPolarHBondContact CG-O 3.46Å; D39-F73 PolarHBondContact N-O 3.44Å; D39-L74 VanDerWaalsContact OD1-CA 3.25Å; D39-L74 WeakPolarHBondContact OD1-CA 3.46Å; D39-T75 PolarHBondContact OD1-N 2.99Å; D39-T75 PolarHBondContact OD1-OG1 3.48Å; D39-T75 PolarHBondContact OD2-OG1 2.91Å; D39-A81 HydrophobicContact CB-CB 4.26Å; D39-A81 WeakPolarHBondContact CB-O 3.42Å; D39-Y163 WeakPolarHBondContact OD2-CE1 3.39Å; D39-Y163 PolarHBondContact OD2-OH 2.7Å; D39-Y163 VanDerWaalsContact OD2-OH 3.12Å
40A98.3Very high92Very high0 Ų033.2 Ų33.20%017%0.168CC..  trans-149.878.4171.200000107.8N25 M26 M37 I72 A81 I82 G83 A84 V85 V88N25-A40 WeakPolarHBondContact O-CA 3.28Å; N25-A40 PolarHBondContact O-N 3.09Å; M26-A40 HydrophobicContact CE-CB 3.69Å; M37-A40 HydrophobicContact SD-CB 4.07Å; A40-I72 HydrophobicContact CB-CG2 4.49Å; A40-A81 CarbonylContact C-O 3.59Å; A40-A81 PolarHBondContact N-O 3.06Å; A40-I82 CarbonylContact O-C 3.57Å; A40-I82 WeakPolarHBondContact O-CA 3.19Å; A40-G83 PolarHBondContact O-N 2.83Å; A40-A84 HydrophobicContact CB-CB 4.42Å; A40-A84 CarbonylContact O-C 3.53Å; A40-A84 VanDerWaalsContact O-CA 3.32Å; A40-A84 WeakPolarHBondContact O-CA 3.21Å; A40-A84 WeakPolarHBondContact O-CB 3.32Å; A40-A84 PolarHBondContact O-N 3Å; A40-V85 HydrophobicContact CB-CG2 3.77Å; A40-V85 PolarHBondContact O-N 2.88Å; A40-V88 HydrophobicContact CB-CG2 4.3Å
41G97.1Very high91.4Very high0 Ų035.3 Ų35.30%019%0.191CC..  trans-87.1162.3-175.800000115.2N25 P57 E79 H80 A81 A84N25-G41 PolarHBondContact O-N 2.79Å; G41-P57 WeakPolarHBondContact O-CD 3.25Å; G41-E79 WeakPolarHBondContact CA-O 3.47Å; G41-H80 VanDerWaalsContact CA-C 3.43Å; G41-H80 WeakPolarHBondContact CA-O 3.24Å; G41-A81 PolarHBondContact N-O 3.07Å; G41-A84 WeakPolarHBondContact O-CB 3.34Å
42L93.6Very high91Very high6 Ų635.9 Ų35.93%0.03119%0.194CC..  trans-110.3169.1165.368.875.7000111.5K24 F44 I54 V55 I56 E79 H80K24-L42 PolarHBondContact N-O 2.98Å; K24-L42 VanDerWaalsContact N-O 3.07Å; L42-F44 HydrophobicContact CD1-CD1 4.35Å; L42-F44 HydrophobicContact CD1-CE1 4.1Å; L42-F44 HydrophobicContact CD1-CE2 4.34Å; L42-F44 HydrophobicContact CD1-CZ 4.11Å; L42-I54 HydrophobicContact CB-CG2 3.59Å; L42-I54 HydrophobicContact CD1-CG2 4.16Å; L42-I54 HydrophobicContact CD2-CD1 4.12Å; L42-I54 HydrophobicContact CD2-CG1 4.46Å; L42-I54 HydrophobicContact CD2-CG2 3.71Å; L42-I54 HydrophobicContact CG-CG2 4.01Å; L42-V55 CarbonylContact C-O 3.57Å; L42-V55 WeakPolarHBondContact CA-O 3.4Å; L42-I56 HydrophobicContact CB-CG2 3.94Å; L42-E79 HydrophobicContact CD1-CB 4.16Å; L42-E79 HydrophobicContact CG-CB 4.22Å; L42-E79 PolarHBondContact N-O 3.08Å; L42-H80 WeakPolarHBondContact O-CA 3.46Å
43M90.7Very high90.5Very high13 Ų1337.8 Ų37.86%0.06420%0.204CC..BIsolated β-bridgetrans-127.4141.1170.1177.9-175.694.400108.8A23 K24 M49 V55A23-M43 HydrophobicContact CB-CB 4.08Å; A23-M43 HydrophobicContact CB-CG 4.27Å; K24-M43 HydrophobicContact CB-CB 3.97Å; K24-M43 HydrophobicContact CD-CB 4.2Å; K24-M43 HydrophobicContact CG-CB 4.17Å; M43-M49 HydrophobicContact CE-CE 3.97Å; M43-M49 HydrophobicContact CE-SD 4.45Å; M43-V55 HydrophobicContact CB-CB 4.37Å; M43-V55 HydrophobicContact CE-CB 4.12Å; M43-V55 HydrophobicContact CE-CG1 4.32Å; M43-V55 HydrophobicContact CE-CG2 4.08Å; M43-V55 PolarHBondContact N-O 2.85Å; M43-V55 PolarHBondContact O-N 3.18Å
44F83.9Confident90.2Very high49 Ų4935.6 Ų35.622%0.21519%0.192CC..PPolyproline II helixtrans-76.6140.9169.5-63.4-67.8000110.1L42 H80 Q304L42-F44 HydrophobicContact CD1-CD1 4.35Å; L42-F44 HydrophobicContact CD1-CE1 4.1Å; L42-F44 HydrophobicContact CD1-CE2 4.34Å; L42-F44 HydrophobicContact CD1-CZ 4.11Å; F44-H80 AromaticContact CD2-NE2 4Å; F44-Q304 HydrophobicContact CE1-CB 4.1Å; F44-Q304 HydrophobicContact CE1-CG 4.37Å; F44-Q304 HydrophobicContact CZ-CB 4.36Å
45P82.9Confident90Very high43 Ų4335.3 Ų35.328%0.27919%0.191SC..PPolyproline II helixtrans-61.5144.5-17525-34.9000112.1M49 I52 D53P45-M49 HydrophobicContact CB-CB 3.8Å; P45-M49 HydrophobicContact CB-SD 4.36Å; P45-I52 HydrophobicContact CB-CB 4.05Å; P45-I52 HydrophobicContact CB-CG2 4.08Å; P45-I52 VanDerWaalsContact CG-O 3.3Å; P45-I52 WeakPolarHBondContact CG-O 3.28Å; P45-D53 WeakPolarHBondContact CD-O 3.38Å
46E79.8Confident89.9Confident112 Ų11235.6 Ų35.652%0.52319%0.192SC..PPolyproline II helixtrans-77.7164.8168.9-63.9175.5-173.200110.6E48 M49E46-E48 PolarHBondContact O-N 3.46Å; E46-M49 WeakPolarHBondContact O-CB 3.41Å; E46-M49 PolarHBondContact O-N 2.78Å
47D76.2Confident89.8Confident144 Ų14435.7 Ų35.777%0.7719%0.193SC*.THydrogen-bonded Turntrans-55.7-27.5-176.9-70.5-22.2000113.5M49D47-M49 VanDerWaalsContact C-N 3.34Å
48E80.5Confident89.6Confident133 Ų13336.6 Ų36.662%0.62120%0.198SC*.THydrogen-bonded Turntrans-75.9-20.3177.9-60.2-173.7176.700112.9E46 L50 H461E46-E48 PolarHBondContact O-N 3.46Å; E48-L50 PolarHBondContact O-N 3.2Å; E48-H461 PolarHBondContact O-CE1 3.05Å; E48-H461 PolarHBondContact O-NE2 3.29Å
49M85.1Confident89.6Confident31 Ų3137 Ų3715%0.15320%0.2CC..SBendtrans-85.263.4-176.8-59.8-172.7-165.900111.4M43 P45 E46 D47 G51 I52 V55 L443M43-M49 HydrophobicContact CE-CE 3.97Å; M43-M49 HydrophobicContact CE-SD 4.45Å; P45-M49 HydrophobicContact CB-CB 3.8Å; P45-M49 HydrophobicContact CB-SD 4.36Å; E46-M49 WeakPolarHBondContact O-CB 3.41Å; E46-M49 PolarHBondContact O-N 2.78Å; D47-M49 VanDerWaalsContact C-N 3.34Å; M49-G51 PolarHBondContact O-N 2.85Å; M49-I52 HydrophobicContact CB-CB 4.07Å; M49-I52 HydrophobicContact CB-CG1 3.96Å; M49-I52 WeakPolarHBondContact O-CB 3.34Å; M49-I52 PolarHBondContact O-N 2.67Å; M49-V55 HydrophobicContact SD-CG2 3.62Å; M49-L443 HydrophobicContact SD-CD2 4.4Å
50L84.5Confident89.5Confident57 Ų5738.6 Ų38.630%0.29821%0.211SC..THydrogen-bonded Turntrans-53.5119.8-173.4-63.8177.6000112.4E48 I52 R460 A464E48-L50 PolarHBondContact O-N 3.2Å; L50-I52 VanDerWaalsContact C-N 3.26Å; L50-I52 PolarHBondContact O-N 2.71Å; L50-R460 HydrophobicContact CB-CB 4.04Å; L50-R460 HydrophobicContact CD1-CB 4.09Å; L50-R460 WeakPolarHBondContact O-CD 3.44Å; L50-R460 PolarHBondContact O-NH1 3.37Å; L50-A464 HydrophobicContact CD1-CB 3.85Å
51G85.8Confident89.5Confident49 Ų4939.1 Ų39.151%0.50521%0.213SC..THydrogen-bonded Turntrans73.49.4176.200000115.1M49 R460M49-G51 PolarHBondContact O-N 2.85Å; G51-R460 PolarHBondContact O-NH1 3.48Å
52I89Confident89.5Confident11 Ų1139.1 Ų39.16%0.05621%0.213CC..  trans-79.2145.1168.5-59.6-50.8000108.4P45 M49 L50 I54 V55 L443 D445 V452 L457P45-I52 HydrophobicContact CB-CB 4.05Å; P45-I52 HydrophobicContact CB-CG2 4.08Å; P45-I52 VanDerWaalsContact CG-O 3.3Å; P45-I52 WeakPolarHBondContact CG-O 3.28Å; M49-I52 HydrophobicContact CB-CB 4.07Å; M49-I52 HydrophobicContact CB-CG1 3.96Å; M49-I52 WeakPolarHBondContact O-CB 3.34Å; M49-I52 PolarHBondContact O-N 2.67Å; L50-I52 VanDerWaalsContact C-N 3.26Å; L50-I52 PolarHBondContact O-N 2.71Å; I52-I54 WeakPolarHBondContact CG2-O 3.28Å; I52-V55 HydrophobicContact CG2-CG2 4.06Å; I52-L443 HydrophobicContact CD1-CB 3.79Å; I52-L443 HydrophobicContact CD1-CD1 4.07Å; I52-L443 HydrophobicContact CD1-CG 4.45Å; I52-L443 HydrophobicContact CG1-CB 4.37Å; I52-L443 HydrophobicContact CG1-CD1 4.3Å; I52-L443 HydrophobicContact CG2-CB 4.41Å; I52-L443 HydrophobicContact CG2-CD2 4.48Å; I52-D445 HydrophobicContact CD1-CB 4.46Å; I52-V452 HydrophobicContact CD1-CB 3.94Å; I52-V452 HydrophobicContact CD1-CG1 3.66Å; I52-V452 HydrophobicContact CD1-CG2 4.23Å; I52-L457 HydrophobicContact CD1-CD2 4.13Å; I52-L457 HydrophobicContact CG1-CD2 3.89Å
53D85.3Confident89.7Confident69 Ų6941.4 Ų41.437%0.36923%0.225SC..  trans-97.6-42.8173.7-68.6-47.4000111.5P45 I444 G446P45-D53 WeakPolarHBondContact CD-O 3.38Å; D53-I444 PolarHBondContact N-O 2.93Å; D53-G446 WeakPolarHBondContact OD2-CA 3.33Å; D53-G446 PolarHBondContact OD2-N 3.07Å
54I90.4Very high90Very high23 Ų2347.9 Ų47.912%0.11826%0.255CS..EExtended strand (participates in β ladder)trans-147.9146-170.7-61.2170.4000109.8L42 I52 I56 I444L42-I54 HydrophobicContact CB-CG2 3.59Å; L42-I54 HydrophobicContact CD1-CG2 4.16Å; L42-I54 HydrophobicContact CD2-CD1 4.12Å; L42-I54 HydrophobicContact CD2-CG1 4.46Å; L42-I54 HydrophobicContact CD2-CG2 3.71Å; L42-I54 HydrophobicContact CG-CG2 4.01Å; I52-I54 WeakPolarHBondContact CG2-O 3.28Å; I54-I56 HydrophobicContact CG2-CG2 4.02Å; I54-I444 HydrophobicContact CB-CB 4.26Å; I54-I444 HydrophobicContact CB-CD1 4.19Å; I54-I444 HydrophobicContact CG2-CD1 4.07Å; I54-I444 PolarHBondContact N-O 3.35Å; I54-I444 PolarHBondContact O-N 3.05Å
55V93.4Very high90.7Very high0 Ų047.2 Ų47.20%025%0.254CS..EExtended strand (participates in β ladder)trans-117.8131.5170.9-173.10000110.2K24 L42 M43 M49 I52 N441 L443K24-V55 HydrophobicContact CD-CB 4.46Å; K24-V55 HydrophobicContact CD-CG1 3.94Å; L42-V55 CarbonylContact C-O 3.57Å; L42-V55 WeakPolarHBondContact CA-O 3.4Å; M43-V55 HydrophobicContact CB-CB 4.37Å; M43-V55 HydrophobicContact CE-CB 4.12Å; M43-V55 HydrophobicContact CE-CG1 4.32Å; M43-V55 HydrophobicContact CE-CG2 4.08Å; M43-V55 PolarHBondContact N-O 2.85Å; M43-V55 PolarHBondContact O-N 3.18Å; M49-V55 HydrophobicContact SD-CG2 3.62Å; I52-V55 HydrophobicContact CG2-CG2 4.06Å; V55-N441 HydrophobicContact CG1-CB 3.75Å; V55-L443 HydrophobicContact CG1-CD2 4.11Å; V55-L443 HydrophobicContact CG2-CD2 3.88Å
56I95.7Very high91.3Very high6 Ų651.1 Ų51.13%0.03127%0.267CS..EExtended strand (participates in β ladder)trans-125.8160.5176.765.6172.5000111.5L42 I54 A84 Y87 I442 I444L42-I56 HydrophobicContact CB-CG2 3.94Å; I54-I56 HydrophobicContact CG2-CG2 4.02Å; I56-A84 HydrophobicContact CB-CB 3.95Å; I56-A84 HydrophobicContact CG2-CB 3.67Å; I56-Y87 HydrophobicContact CD1-CD1 4.24Å; I56-Y87 HydrophobicContact CD1-CG 3.88Å; I56-Y87 HydrophobicContact CG2-CD2 4.34Å; I56-I442 HydrophobicContact CD1-CB 4.49Å; I56-I442 HydrophobicContact CD1-CG2 4.46Å; I56-I442 HydrophobicContact CG1-CB 3.85Å; I56-I442 HydrophobicContact CG1-CG2 4.23Å; I56-I442 PolarHBondContact N-O 3Å; I56-I442 PolarHBondContact O-N 2.81Å; I56-I444 HydrophobicContact CD1-CD1 3.93Å; I56-I444 HydrophobicContact CG1-CD1 4.01Å; I56-I444 HydrophobicContact CG2-CD1 3.83Å
57P96.7Very high92.1Very high2 Ų252.4 Ų52.41%0.01328%0.277CS..EExtended strand (participates in β ladder)trans-67.6147.1177-20.135.5000112.2L16 K24 M26 G41 I59L16-P57 HydrophobicContact CB-CB 4.25Å; K24-P57 HydrophobicContact CD-CG 4.18Å; K24-P57 HydrophobicContact CG-CG 3.72Å; M26-P57 HydrophobicContact CB-CB 4.4Å; M26-P57 HydrophobicContact CB-CG 3.84Å; M26-P57 HydrophobicContact CE-CB 4.1Å; M26-P57 HydrophobicContact CE-CG 3.77Å; M26-P57 HydrophobicContact SD-CB 3.82Å; M26-P57 HydrophobicContact SD-CG 3.97Å; G41-P57 WeakPolarHBondContact O-CD 3.25Å; P57-I59 PolarHBondContact O-N 2.97Å
58D96.2Very high93.2Very high20 Ų2048.4 Ų48.411%0.10725%0.253CS..  trans-67.9121164-175-9.6000110.2S60 N438 G440 I442D58-S60 WeakPolarHBondContact OD1-CB 3.42Å; D58-S60 PolarHBondContact OD1-N 2.89Å; D58-S60 PolarHBondContact OD1-OG 3.26Å; D58-S60 PolarHBondContact OD2-OG 3.07Å; D58-N438 PolarHBondContact OD2-ND2 2.85Å; D58-G440 PolarHBondContact N-O 2.85Å; D58-I442 HydrophobicContact CB-CD1 4.33Å; D58-I442 HydrophobicContact CB-CG1 4.18Å
59I97.2Very high94Very high8 Ų842.9 Ų42.94%0.04123%0.227CC..  trans-10414.6179.963.7164.4000113.4M26 P57 Y61 V62 L63 V88 Q91 L92M26-I59 HydrophobicContact CE-CG2 3.89Å; M26-I59 HydrophobicContact SD-CG2 3.61Å; P57-I59 PolarHBondContact O-N 2.97Å; I59-Y61 PolarHBondContact O-N 3.43Å; I59-V62 HydrophobicContact CB-CB 4.37Å; I59-V62 HydrophobicContact CB-CG2 4.5Å; I59-V62 WeakPolarHBondContact O-CA 3.36Å; I59-V62 WeakPolarHBondContact O-CB 3.22Å; I59-V62 PolarHBondContact O-N 2.85Å; I59-L63 HydrophobicContact CD1-CD1 4.36Å; I59-L63 HydrophobicContact CD1-CD2 4.21Å; I59-L63 HydrophobicContact CD1-CG 4.18Å; I59-L63 HydrophobicContact CG1-CD1 4.13Å; I59-L63 HydrophobicContact CG1-CG 4.17Å; I59-L63 PolarHBondContact O-N 2.95Å; I59-V88 HydrophobicContact CD1-CB 4.45Å; I59-V88 HydrophobicContact CD1-CG1 4.24Å; I59-V88 HydrophobicContact CD1-CG2 4.29Å; I59-V88 HydrophobicContact CG2-CG2 4.2Å; I59-Q91 HydrophobicContact CD1-CB 4.36Å; I59-L92 HydrophobicContact CD1-CD2 4.39Å
60S96.8Very high94.6Very high34 Ų3444.5 Ų44.524%0.23823%0.233CC..Hα-helixtrans-49.7-45.1-178.4-65.10000112.3D58 V62 L63 E64 N438D58-S60 WeakPolarHBondContact OD1-CB 3.42Å; D58-S60 PolarHBondContact OD1-N 2.89Å; D58-S60 PolarHBondContact OD1-OG 3.26Å; D58-S60 PolarHBondContact OD2-OG 3.07Å; S60-V62 VanDerWaalsContact C-N 3.3Å; S60-V62 PolarHBondContact O-N 3.07Å; S60-L63 WeakPolarHBondContact O-CB 3.5Å; S60-L63 PolarHBondContact O-N 2.81Å; S60-L63 VanDerWaalsContact O-N 3.15Å; S60-E64 WeakPolarHBondContact O-CG 3.35Å; S60-E64 PolarHBondContact O-N 3.35Å; S60-N438 PolarHBondContact OG-ND2 2.98Å
61Y97.9Very high95.3Very high11 Ų1141.8 Ų41.84%0.04322%0.219CC..Hα-helixtrans-57.3-41.4176.1173.9-98.7000113R12 I14 I28 E30 M35 I59 N65 V437R12-Y61 PolarHBondContact NH1-OH 3.25Å; I14-Y61 HydrophobicContact CD1-CD1 4.37Å; I14-Y61 HydrophobicContact CD1-CE1 3.57Å; I14-Y61 HydrophobicContact CD1-CE2 4.3Å; I14-Y61 VanDerWaalsContact CD1-CZ 3.5Å; I14-Y61 WeakPolarHBondContact CD1-OH 3.43Å; I28-Y61 HydrophobicContact CG2-CE1 4.43Å; E30-Y61 PolarHBondContact OE1-OH 2.99Å; E30-Y61 PolarHBondContact OE2-OH 2.79Å; E30-Y61 VanDerWaalsContact OE2-OH 3.07Å; M35-Y61 HydrophobicContact CE-CD1 4.38Å; M35-Y61 HydrophobicContact CE-CE1 3.73Å; I59-Y61 PolarHBondContact O-N 3.43Å; Y61-N65 WeakPolarHBondContact O-CB 3.26Å; Y61-N65 PolarHBondContact O-N 2.89Å; Y61-N65 PolarHBondContact O-ND2 2.85Å; Y61-V437 HydrophobicContact CD2-CB 3.71Å; Y61-V437 HydrophobicContact CD2-CG1 3.48Å; Y61-V437 VanDerWaalsContact CD2-CG1 3.48Å; Y61-V437 HydrophobicContact CD2-CG2 4.22Å; Y61-V437 HydrophobicContact CE2-CB 4.26Å; Y61-V437 HydrophobicContact CE2-CG1 3.51Å; Y61-V437 HydrophobicContact CG-CB 4.11Å; Y61-V437 HydrophobicContact CG-CG1 4.23Å; Y61-V437 HydrophobicContact CG-CG2 4.15Å
62V98.3Very high95.9Very high0 Ų039.4 Ų39.40%020%0.195CC..Hα-helixtrans-69.7-39.1178.7-176.10000110.5L16 I28 M35 M37 I59 S60 N65 K66 L69 L92L16-V62 HydrophobicContact CD1-CG2 3.76Å; I28-V62 HydrophobicContact CD1-CG2 3.79Å; I28-V62 HydrophobicContact CG1-CG2 4.18Å; M35-V62 HydrophobicContact SD-CG1 4.07Å; M35-V62 HydrophobicContact SD-CG2 4.44Å; M37-V62 HydrophobicContact CE-CB 4.48Å; M37-V62 HydrophobicContact CE-CG1 4.01Å; M37-V62 HydrophobicContact CE-CG2 3.95Å; I59-V62 HydrophobicContact CB-CB 4.37Å; I59-V62 HydrophobicContact CB-CG2 4.5Å; I59-V62 WeakPolarHBondContact O-CA 3.36Å; I59-V62 WeakPolarHBondContact O-CB 3.22Å; I59-V62 PolarHBondContact O-N 2.85Å; S60-V62 VanDerWaalsContact C-N 3.3Å; S60-V62 PolarHBondContact O-N 3.07Å; V62-N65 CarbonylContact O-C 3.58Å; V62-N65 PolarHBondContact O-N 3.42Å; V62-K66 VanDerWaalsContact O-CA 3.27Å; V62-K66 WeakPolarHBondContact O-CA 3.4Å; V62-K66 PolarHBondContact O-N 2.7Å; V62-L69 HydrophobicContact CG1-CD2 3.95Å; V62-L92 HydrophobicContact CG1-CD2 3.77Å
63L97.6Very high96.4Very high54 Ų5438.9 Ų38.928%0.28319%0.193SC..Hα-helixtrans-63.7-42.3177-66.1172.6000111.9I59 S60 N65 Q91 L92I59-L63 HydrophobicContact CD1-CD1 4.36Å; I59-L63 HydrophobicContact CD1-CD2 4.21Å; I59-L63 HydrophobicContact CD1-CG 4.18Å; I59-L63 HydrophobicContact CG1-CD1 4.13Å; I59-L63 HydrophobicContact CG1-CG 4.17Å; I59-L63 PolarHBondContact O-N 2.95Å; S60-L63 WeakPolarHBondContact O-CB 3.5Å; S60-L63 PolarHBondContact O-N 2.81Å; S60-L63 VanDerWaalsContact O-N 3.15Å; L63-N65 PolarHBondContact O-N 3.38Å; L63-Q91 HydrophobicContact CD2-CB 4.03Å; L63-L92 HydrophobicContact CD2-CB 4.1Å; L63-L92 HydrophobicContact CD2-CD2 3.96Å
64E97.4Very high97Very high150 Ų15035.6 Ų35.670%0.70118%0.175SC*.Hα-helixtrans-64.6-28.5175.6-71.3173.2-174.500112.6S60S60-E64 WeakPolarHBondContact O-CG 3.35Å; S60-E64 PolarHBondContact O-N 3.35Å
65N97.4Very high97.4Very high35 Ų3534.5 Ų34.519%0.18717%0.169CC..THydrogen-bonded Turntrans-11319.9-176.2-70.5-89.1000113.5M35 Y61 V62 L63 D67 K68M35-N65 HydrophobicContact CE-CB 3.57Å; Y61-N65 WeakPolarHBondContact O-CB 3.26Å; Y61-N65 PolarHBondContact O-N 2.89Å; Y61-N65 PolarHBondContact O-ND2 2.85Å; V62-N65 CarbonylContact O-C 3.58Å; V62-N65 PolarHBondContact O-N 3.42Å; L63-N65 PolarHBondContact O-N 3.38Å; N65-D67 PolarHBondContact O-N 2.96Å; N65-K68 HydrophobicContact CB-CD 4.36Å; N65-K68 WeakPolarHBondContact O-CB 3.29Å; N65-K68 PolarHBondContact O-N 3.41Å; N65-K68 PolarHBondContact OD1-NZ 2.84Å
66K96.6Very high97.6Very high125 Ų12534.5 Ų34.554%0.54317%0.169SC..G310 helixtrans-54.4-29-168.366.4-176.4-180-177.40115.3V62 K68 L69V62-K66 VanDerWaalsContact O-CA 3.27Å; V62-K66 WeakPolarHBondContact O-CA 3.4Å; V62-K66 PolarHBondContact O-N 2.7Å; K66-K68 PolarHBondContact O-N 3.31Å; K66-L69 WeakPolarHBondContact O-CB 3.35Å; K66-L69 PolarHBondContact O-N 2.95Å; K66-L69 VanDerWaalsContact O-N 3.13Å
67D96.9Very high97.6Very high138 Ų13834.6 Ų34.674%0.73817%0.171SC*.G310 helixtrans-67.4-23.2-179.7-61-38.9000112.8N65 K70N65-D67 PolarHBondContact O-N 2.96Å; D67-K70 PolarHBondContact O-NZ 3.09Å; D67-K70 VanDerWaalsContact O-NZ 3.08Å
68K97.7Very high97.5Very high61 Ų6135.2 Ų35.227%0.26517%0.174SC..G310 helixtrans-78.5-28.1174.6-61.6179.2-176.31630112.2E30 M35 N65 K66 K70E30-K68 WeakPolarHBondContact OE1-CD 3.48Å; E30-K68 IonicContact OE1-NZ 3.06Å; E30-K68 IonicContact OE2-NZ 3.91Å; M35-K68 HydrophobicContact CB-CB 3.79Å; M35-K68 PolarHBondContact N-O 3.46Å; N65-K68 HydrophobicContact CB-CD 4.36Å; N65-K68 WeakPolarHBondContact O-CB 3.29Å; N65-K68 PolarHBondContact O-N 3.41Å; N65-K68 PolarHBondContact OD1-NZ 2.84Å; K66-K68 PolarHBondContact O-N 3.31Å; K68-K70 WeakPolarHBondContact O-CD 3.39Å; K68-K70 WeakPolarHBondContact O-CE 3.48Å; K68-K70 WeakPolarHBondContact O-CG 3.41Å; K68-K70 PolarHBondContact O-N 3.24Å; K68-K70 VanDerWaalsContact O-N 3.17Å
69L98.3Very high97.3Very high16 Ų1637.1 Ų37.18%0.08418%0.182CC..EExtended strand (participates in β ladder)trans-64.2114.5-173.7-176.464.1000111.1M35 M37 V62 K66 L92 A94M35-L69 HydrophobicContact CG-CD1 4.24Å; M35-L69 WeakPolarHBondContact O-CA 3.43Å; M35-L69 HydrophobicContact SD-CB 4.3Å; M35-L69 HydrophobicContact SD-CD1 4.11Å; M37-L69 HydrophobicContact CB-CD1 4.11Å; V62-L69 HydrophobicContact CG1-CD2 3.95Å; K66-L69 WeakPolarHBondContact O-CB 3.35Å; K66-L69 PolarHBondContact O-N 2.95Å; K66-L69 VanDerWaalsContact O-N 3.13Å; L69-L92 HydrophobicContact CD2-CD1 3.6Å; L69-L92 HydrophobicContact CD2-CD2 4.14Å; L69-A94 HydrophobicContact CD2-CB 3.78Å; L69-A94 HydrophobicContact CG-CB 4.33Å
70K98.3Very high97Very high65 Ų6539.2 Ų39.228%0.28319%0.192SC..EExtended strand (participates in β ladder)trans-98-17.5-179.6-57.7-46.8176.8-157.60113.6E34 M35 F36 D67 K68 P95 F132E34-K70 HydrophobicContact CB-CG 3.86Å; E34-K70 HydrophobicContact CG-CD 4.38Å; E34-K70 HydrophobicContact CG-CG 3.85Å; M35-K70 PolarHBondContact O-N 2.97Å; F36-K70 HydrophobicContact CD1-CB 4.16Å; F36-K70 HydrophobicContact CE1-CB 3.78Å; F36-K70 HydrophobicContact CE1-CG 4.23Å; D67-K70 PolarHBondContact O-NZ 3.09Å; D67-K70 VanDerWaalsContact O-NZ 3.08Å; K68-K70 WeakPolarHBondContact O-CD 3.39Å; K68-K70 WeakPolarHBondContact O-CE 3.48Å; K68-K70 WeakPolarHBondContact O-CG 3.41Å; K68-K70 PolarHBondContact O-N 3.24Å; K68-K70 VanDerWaalsContact O-N 3.17Å; K70-P95 WeakPolarHBondContact O-CG 3.44Å; K70-F132 HydrophobicContact CB-CD1 3.8Å; K70-F132 HydrophobicContact CB-CE1 3.81Å; K70-F132 HydrophobicContact CG-CD1 4.29Å
71G98.1Very high97Very high0 Ų037.6 Ų37.60%018%0.181CC..EExtended strand (participates in β ladder)trans168.5166.517400000114.4M37 P95M37-G71 PolarHBondContact N-O 3.08Å; M37-G71 VanDerWaalsContact N-O 3.1Å; G71-P95 VanDerWaalsContact CA-O 3.23Å; G71-P95 WeakPolarHBondContact CA-O 3.33Å
72I98.7Very high97Very high0 Ų037.2 Ų37.20%018%0.179CC..EExtended strand (participates in β ladder)trans-104.8123.1171.9-51.3176000107.4M37 A40 L74 V88 L89 A94 P95 V96 Y97M37-I72 HydrophobicContact CB-CG1 4.32Å; M37-I72 HydrophobicContact CB-CG2 4.45Å; M37-I72 HydrophobicContact CG-CG2 4.19Å; M37-I72 CarbonylContact O-C 3.42Å; M37-I72 WeakPolarHBondContact O-CA 3.11Å; M37-I72 HydrophobicContact SD-CD1 4.06Å; M37-I72 HydrophobicContact SD-CG1 3.89Å; M37-I72 HydrophobicContact SD-CG2 4.01Å; A40-I72 HydrophobicContact CB-CG2 4.49Å; I72-L74 HydrophobicContact CG2-CD2 3.73Å; I72-L74 HydrophobicContact CG2-CG 4.31Å; I72-V88 HydrophobicContact CD1-CG1 3.99Å; I72-L89 HydrophobicContact CD1-CD2 4.09Å; I72-L89 HydrophobicContact CD1-CG 4.5Å; I72-A94 HydrophobicContact CD1-CB 4.15Å; I72-A94 HydrophobicContact CG1-CB 4.04Å; I72-P95 PolarHBondContact N-O 3.27Å; I72-V96 WeakPolarHBondContact O-CA 3.38Å; I72-Y97 PolarHBondContact O-N 2.89Å
73F98.8Very high96.8Very high0 Ų037.3 Ų37.30%018%0.18CC..EExtended strand (participates in β ladder)trans-111.3123.4-177.3-65.4-98.3000109.1F36 M37 L38 D39 Y97 M130 F132 I137 F139 V152F36-F73 HydrophobicContact CB-CD2 4.31Å; F36-F73 HydrophobicContact CB-CE2 4.21Å; F36-F73 AromaticContact CD1-CE2 3.71Å; F36-F73 HydrophobicContact CD1-CE2 3.71Å; F36-F73 HydrophobicContact CD1-CZ 4.21Å; F36-F73 HydrophobicContact CG-CE2 4.4Å; M37-F73 PolarHBondContact O-N 2.87Å; L38-F73 HydrophobicContact CD2-CB 4.07Å; D39-F73 PolarHBondContact N-O 3.44Å; F73-Y97 HydrophobicContact CD1-CD2 4.16Å; F73-Y97 HydrophobicContact CD1-CG 4.03Å; F73-Y97 HydrophobicContact CD2-CD2 4.48Å; F73-Y97 HydrophobicContact CE1-CD1 4.23Å; F73-Y97 AromaticContact CE1-CD2 3.72Å; F73-Y97 HydrophobicContact CE1-CD2 3.72Å; F73-Y97 HydrophobicContact CE1-CE2 4.3Å; F73-Y97 AromaticContact CE1-CG 3.7Å; F73-Y97 HydrophobicContact CE1-CG 3.7Å; F73-Y97 HydrophobicContact CE2-CD2 4.03Å; F73-Y97 HydrophobicContact CE2-CE2 4.34Å; F73-Y97 AromaticContact CZ-CD2 3.64Å; F73-Y97 HydrophobicContact CZ-CD2 3.64Å; F73-Y97 AromaticContact CZ-CE2 3.87Å; F73-Y97 HydrophobicContact CZ-CE2 3.87Å; F73-Y97 HydrophobicContact CZ-CG 4.1Å; F73-M130 HydrophobicContact CE1-CG 4.48Å; F73-F132 HydrophobicContact CE1-CE2 4.27Å; F73-F132 HydrophobicContact CE1-CZ 4.4Å; F73-F132 AromaticContact CZ-CE2 3.67Å; F73-F132 HydrophobicContact CZ-CE2 3.67Å; F73-F132 AromaticContact CZ-CZ 3.59Å; F73-F132 HydrophobicContact CZ-CZ 3.59Å; F73-I137 HydrophobicContact CD1-CD1 4.43Å; F73-I137 HydrophobicContact CD1-CG2 4.04Å; F73-I137 HydrophobicContact CD2-CD1 4.46Å; F73-I137 HydrophobicContact CE1-CB 4.23Å; F73-I137 HydrophobicContact CE1-CD1 3.77Å; F73-I137 HydrophobicContact CE1-CG2 3.87Å; F73-I137 HydrophobicContact CE2-CD1 3.86Å; F73-I137 HydrophobicContact CZ-CD1 3.46Å; F73-I137 VanDerWaalsContact CZ-CD1 3.46Å; F73-F139 AromaticContact CD1-CE1 4Å; F73-F139 HydrophobicContact CD1-CE1 4Å; F73-F139 AromaticContact CD1-CZ 3.87Å; F73-F139 HydrophobicContact CD1-CZ 3.87Å; F73-F139 HydrophobicContact CE1-CZ 4.19Å; F73-V152 HydrophobicContact CB-CG1 4.41Å; F73-V152 HydrophobicContact CB-CG2 4.37Å
74L98.8Very high96.7Very high0 Ų034.8 Ų34.80%017%0.167CC..  trans-115.2126.7-168.8-56.1170.9000110.9D39 I72 I82 V85 V96 Y97 T102 I106D39-L74 VanDerWaalsContact OD1-CA 3.25Å; D39-L74 WeakPolarHBondContact OD1-CA 3.46Å; I72-L74 HydrophobicContact CG2-CD2 3.73Å; I72-L74 HydrophobicContact CG2-CG 4.31Å; L74-I82 HydrophobicContact CD1-CG2 4.43Å; L74-I82 HydrophobicContact CD2-CG2 4.46Å; L74-V85 HydrophobicContact CD1-CG2 4.34Å; L74-V85 HydrophobicContact CD2-CG2 3.81Å; L74-V96 HydrophobicContact CD1-CG1 3.41Å; L74-V96 VanDerWaalsContact CD1-CG1 3.41Å; L74-V96 HydrophobicContact CG-CG1 4.22Å; L74-Y97 PolarHBondContact N-O 3.36Å; L74-T102 HydrophobicContact CB-CG2 3.71Å; L74-T102 HydrophobicContact CD1-CG2 3.92Å; L74-I106 HydrophobicContact CD1-CD1 2.96Å; L74-I106 HydrophobicContact CD1-CG1 4.43Å; L74-I106 HydrophobicContact CG-CD1 4.37Å
75T98.5Very high96.7Very high0 Ų027.7 Ų27.70%013%0.134CC..  trans-77.4-45.5-174.5590000111.7D39 L150 V152 Y163D39-T75 PolarHBondContact OD1-N 2.99Å; D39-T75 PolarHBondContact OD1-OG1 3.48Å; D39-T75 PolarHBondContact OD2-OG1 2.91Å; T75-L150 WeakPolarHBondContact CA-O 3.38Å; T75-L150 WeakPolarHBondContact CB-O 3.26Å; T75-L150 WeakPolarHBondContact CG2-O 3.45Å; T75-L150 PolarHBondContact O-N 3.32Å; T75-V152 HydrophobicContact CG2-CG2 4.18Å; T75-Y163 HydrophobicContact CG2-CD1 3.57Å; T75-Y163 HydrophobicContact CG2-CE1 3.28Å
76H97.7Very high96.6Very high0 Ų026.2 Ų26.20%013%0.127CC..  trans-158.4178.8-176.268.1-68.5000111.7H78 A81 I82 H144 I146 E166H76-H78 AromaticContact CD2-CD2 3.82Å; H76-H78 AromaticContact CD2-CG 3.41Å; H76-H78 VanDerWaalsContact CD2-CG 3.41Å; H76-H78 AromaticContact CD2-ND1 3.73Å; H76-H78 VanDerWaalsContact NE2-CB 3.32Å; H76-H78 WeakPolarHBondContact NE2-CB 3.44Å; H76-H78 AromaticContact NE2-CG 3.37Å; H76-H78 AromaticContact NE2-ND1 3.42Å; H76-H78 PolarHBondContact NE2-ND1 3.15Å; H76-A81 VanDerWaalsContact CE1-CB 3.47Å; H76-A81 WeakPolarHBondContact CE1-CB 3.33Å; H76-I82 WeakPolarHBondContact O-CG2 3.45Å; H76-H144 AromaticContact CD2-CD2 3.46Å; H76-H144 PolarHBondContact CD2-CD2 2.94Å; H76-H144 VanDerWaalsContact CD2-CD2 3.46Å; H76-H144 AromaticContact CD2-NE2 3.88Å; H76-H144 AromaticContact NE2-CD2 3.63Å; H76-H144 AromaticContact NE2-NE2 3.6Å; H76-I146 HydrophobicContact CB-CG2 3.88Å; H76-E166 VanDerWaalsContact CE1-CD 3.45Å; H76-E166 IonicContact CE1-OE1 3.99Å; H76-E166 IonicContact CE1-OE2 3.82Å; H76-E166 IonicContact NE2-OE1 2.85Å; H76-E166 IonicContact NE2-OE2 3.69Å
77G95.8Very high96.5Very high7 Ų721.3 Ų21.37%0.07211%0.105CC..SBendtrans-93.917.8-170.100000116.8T102G77-T102 PolarHBondContact N-OG1 2.9Å
78H94.1Very high96.4Very high16 Ų1614.9 Ų14.97%0.0747%0.07CC..SBendtrans-80.7151175.6-69.8-178.5000111.7H76 H80 A81 I82 H144 S145 E166 S236H76-H78 AromaticContact CD2-CD2 3.82Å; H76-H78 AromaticContact CD2-CG 3.41Å; H76-H78 VanDerWaalsContact CD2-CG 3.41Å; H76-H78 AromaticContact CD2-ND1 3.73Å; H76-H78 VanDerWaalsContact NE2-CB 3.32Å; H76-H78 WeakPolarHBondContact NE2-CB 3.44Å; H76-H78 AromaticContact NE2-CG 3.37Å; H76-H78 AromaticContact NE2-ND1 3.42Å; H76-H78 PolarHBondContact NE2-ND1 3.15Å; H78-H80 PolarHBondContact O-N 3.32Å; H78-A81 WeakPolarHBondContact O-CA 3.4Å; H78-A81 PolarHBondContact O-N 3.24Å; H78-I82 WeakPolarHBondContact O-CG1 3.47Å; H78-I82 PolarHBondContact O-N 2.99Å; H78-H144 AromaticContact CE1-CD2 3.9Å; H78-H144 AromaticContact CE1-CE1 3.96Å; H78-H144 AromaticContact CE1-NE2 3.4Å; H78-H144 PolarHBondContact CE1-NE2 3.1Å; H78-H144 AromaticContact ND1-NE2 3.56Å; H78-S145 PolarHBondContact CE1-OG 3.43Å; H78-S145 PolarHBondContact NE2-OG 2.95Å; H78-E166 IonicContact ND1-OE2 3.55Å; H78-S236 VanDerWaalsContact CD2-CB 3.42Å; H78-S236 WeakPolarHBondContact CD2-CB 3.26Å
79E91.7Very high96.3Very high60 Ų6012 Ų1228%0.286%0.058SC..Hα-helixtrans-58.3-31.5177.2-68.5-60152.200112.4G41 L42 A81 G83 N109G41-E79 WeakPolarHBondContact CA-O 3.47Å; L42-E79 HydrophobicContact CD1-CB 4.16Å; L42-E79 HydrophobicContact CG-CB 4.22Å; L42-E79 PolarHBondContact N-O 3.08Å; E79-A81 PolarHBondContact O-N 3.07Å; E79-A81 VanDerWaalsContact O-N 3.17Å; E79-G83 WeakPolarHBondContact O-CA 3.29Å; E79-G83 PolarHBondContact O-N 2.88Å; E79-G83 WeakPolarHBondContact OE2-CA 3.37Å; E79-N109 PolarHBondContact OE1-ND2 3.25Å; E79-N109 VanDerWaalsContact OE1-ND2 3.11Å
80H92Very high96.1Very high52 Ų5216 Ų1624%0.2418%0.076CC..Hα-helixtrans-67.8-11.1174.8-58.4170.4000114.2A23 N25 G41 L42 F44 H78A23-H80 HydrophobicContact CB-CB 3.78Å; A23-H80 WeakPolarHBondContact CB-CD2 3.49Å; N25-H80 WeakPolarHBondContact CB-O 3.3Å; N25-H80 PolarHBondContact N-O 2.83Å; N25-H80 VanDerWaalsContact N-O 3.12Å; N25-H80 PolarHBondContact ND2-O 3.12Å; G41-H80 VanDerWaalsContact CA-C 3.43Å; G41-H80 WeakPolarHBondContact CA-O 3.24Å; L42-H80 WeakPolarHBondContact O-CA 3.46Å; F44-H80 AromaticContact CD2-NE2 4Å; H78-H80 PolarHBondContact O-N 3.32Å
81A96.6Very high95.8Very high0 Ų017.5 Ų17.50%08%0.084CC..Hα-helixtrans-115.6-28.7175.600000113.4D39 A40 G41 H76 H78 E79D39-A81 HydrophobicContact CB-CB 4.26Å; D39-A81 WeakPolarHBondContact CB-O 3.42Å; A40-A81 CarbonylContact C-O 3.59Å; A40-A81 PolarHBondContact N-O 3.06Å; G41-A81 PolarHBondContact N-O 3.07Å; H76-A81 VanDerWaalsContact CE1-CB 3.47Å; H76-A81 WeakPolarHBondContact CE1-CB 3.33Å; H78-A81 WeakPolarHBondContact O-CA 3.4Å; H78-A81 PolarHBondContact O-N 3.24Å; E79-A81 PolarHBondContact O-N 3.07Å; E79-A81 VanDerWaalsContact O-N 3.17Å
82I96.9Very high95.6Very high3 Ų318 Ų182%0.0159%0.087CC..Hα-helixtrans-119.8-13.5-174.576.4-176.9000115.2A40 L74 H76 H78 A84 V85 T102 L105 I106A40-I82 CarbonylContact O-C 3.57Å; A40-I82 WeakPolarHBondContact O-CA 3.19Å; L74-I82 HydrophobicContact CD1-CG2 4.43Å; L74-I82 HydrophobicContact CD2-CG2 4.46Å; H76-I82 WeakPolarHBondContact O-CG2 3.45Å; H78-I82 WeakPolarHBondContact O-CG1 3.47Å; H78-I82 PolarHBondContact O-N 2.99Å; I82-A84 VanDerWaalsContact C-N 3.28Å; I82-A84 PolarHBondContact O-N 3.19Å; I82-V85 HydrophobicContact CB-CG2 4.28Å; I82-V85 WeakPolarHBondContact O-CB 3.44Å; I82-V85 WeakPolarHBondContact O-CG2 3.34Å; I82-V85 PolarHBondContact O-N 2.93Å; I82-T102 HydrophobicContact CG2-CG2 3.89Å; I82-L105 HydrophobicContact CD1-CB 3.96Å; I82-I106 HydrophobicContact CB-CD1 4.05Å; I82-I106 HydrophobicContact CB-CG1 3.98Å; I82-I106 HydrophobicContact CD1-CG1 4.03Å; I82-I106 HydrophobicContact CG1-CG1 4.36Å; I82-I106 HydrophobicContact CG2-CD1 4.12Å; I82-I106 HydrophobicContact CG2-CG1 4.41Å
83G94.3Very high95.4Very high2 Ų224.1 Ų24.12%0.02112%0.12CC..THydrogen-bonded Turntrans-64.9-30.7-165.500000113.8A40 E79A40-G83 PolarHBondContact O-N 2.83Å; E79-G83 WeakPolarHBondContact O-CA 3.29Å; E79-G83 PolarHBondContact O-N 2.88Å; E79-G83 WeakPolarHBondContact OE2-CA 3.37Å
84A96.3Very high95.3Very high0 Ų024.6 Ų24.60%012%0.123CC..THydrogen-bonded Turntrans-81.6-12.8175.300000113.8M26 A40 G41 I56 I82 S86 Y87 V88M26-A84 HydrophobicContact CE-CB 4.47Å; A40-A84 HydrophobicContact CB-CB 4.42Å; A40-A84 CarbonylContact O-C 3.53Å; A40-A84 VanDerWaalsContact O-CA 3.32Å; A40-A84 WeakPolarHBondContact O-CA 3.21Å; A40-A84 WeakPolarHBondContact O-CB 3.32Å; A40-A84 PolarHBondContact O-N 3Å; G41-A84 WeakPolarHBondContact O-CB 3.34Å; I56-A84 HydrophobicContact CB-CB 3.95Å; I56-A84 HydrophobicContact CG2-CB 3.67Å; I82-A84 VanDerWaalsContact C-N 3.28Å; I82-A84 PolarHBondContact O-N 3.19Å; A84-S86 PolarHBondContact O-N 3.42Å; A84-S86 VanDerWaalsContact O-N 3.14Å; A84-Y87 WeakPolarHBondContact O-CA 3.12Å; A84-Y87 WeakPolarHBondContact O-CB 3.44Å; A84-Y87 PolarHBondContact O-N 3.35Å; A84-V88 WeakPolarHBondContact O-CG2 3.48Å; A84-V88 PolarHBondContact O-N 2.8Å
85V97.2Very high95.3Very high1 Ų125.1 Ų25.11%0.00613%0.127CC..Hα-helixtrans-52.1-43.5-177.3172.50000111.6A40 L74 I82 Y87 V88 L89 I106A40-V85 HydrophobicContact CB-CG2 3.77Å; A40-V85 PolarHBondContact O-N 2.88Å; L74-V85 HydrophobicContact CD1-CG2 4.34Å; L74-V85 HydrophobicContact CD2-CG2 3.81Å; I82-V85 HydrophobicContact CB-CG2 4.28Å; I82-V85 WeakPolarHBondContact O-CB 3.44Å; I82-V85 WeakPolarHBondContact O-CG2 3.34Å; I82-V85 PolarHBondContact O-N 2.93Å; V85-Y87 VanDerWaalsContact C-N 3.32Å; V85-Y87 PolarHBondContact O-N 3.36Å; V85-V88 PolarHBondContact O-N 2.81Å; V85-L89 HydrophobicContact CG1-CD1 3.51Å; V85-L89 HydrophobicContact CG1-CG 4.11Å; V85-L89 WeakPolarHBondContact O-CB 3.32Å; V85-L89 VanDerWaalsContact O-CG 3.24Å; V85-L89 WeakPolarHBondContact O-CG 3.44Å; V85-L89 PolarHBondContact O-N 2.82Å; V85-I106 HydrophobicContact CB-CD1 4.45Å; V85-I106 HydrophobicContact CG1-CD1 4.21Å; V85-I106 HydrophobicContact CG1-CG2 4.02Å; V85-I106 HydrophobicContact CG2-CD1 4.14Å
86S94.7Very high95.3Very high5 Ų525.1 Ų25.14%0.03513%0.127CC..Hα-helixtrans-64-36.518056.40000112.6A84 E90 R113 I115A84-S86 PolarHBondContact O-N 3.42Å; A84-S86 VanDerWaalsContact O-N 3.14Å; S86-E90 PolarHBondContact O-N 2.93Å; S86-R113 VanDerWaalsContact CB-NH1 3.26Å; S86-R113 WeakPolarHBondContact OG-CD 3.2Å; S86-R113 PolarHBondContact OG-NH1 2.88Å; S86-I115 WeakPolarHBondContact O-CD1 3.27Å
87Y94.8Very high95.3Very high21 Ų2126 Ų268%0.08213%0.13CC..Hα-helixtrans-73.9-38177.5-62.3-89.6000111.5I56 A84 V85 I444 I449I56-Y87 HydrophobicContact CD1-CD1 4.24Å; I56-Y87 HydrophobicContact CD1-CG 3.88Å; I56-Y87 HydrophobicContact CG2-CD2 4.34Å; A84-Y87 WeakPolarHBondContact O-CA 3.12Å; A84-Y87 WeakPolarHBondContact O-CB 3.44Å; A84-Y87 PolarHBondContact O-N 3.35Å; V85-Y87 VanDerWaalsContact C-N 3.32Å; V85-Y87 PolarHBondContact O-N 3.36Å; Y87-I444 HydrophobicContact CD1-CD1 3.66Å; Y87-I444 HydrophobicContact CD1-CG1 4.46Å; Y87-I444 HydrophobicContact CD2-CD1 4.35Å; Y87-I444 HydrophobicContact CE1-CD1 3.31Å; Y87-I444 HydrophobicContact CE1-CG1 4.05Å; Y87-I444 HydrophobicContact CE1-CG2 4.23Å; Y87-I444 HydrophobicContact CE2-CD1 4.05Å; Y87-I444 HydrophobicContact CG-CD1 4.18Å; Y87-I449 HydrophobicContact CD1-CD1 3.85Å; Y87-I449 HydrophobicContact CD1-CG1 4.2Å; Y87-I449 HydrophobicContact CE1-CD1 4.15Å; Y87-I449 HydrophobicContact CE1-CG1 4.23Å
88V95.8Very high95.5Very high3 Ų325.7 Ų25.72%0.01813%0.127CC..Hα-helixtrans-64-49.5175.3175.60000110.3M26 M37 A40 I59 I72 A84 V85 E90 Q91 L92M26-V88 HydrophobicContact CE-CG2 3.9Å; M37-V88 HydrophobicContact CE-CG1 4.29Å; M37-V88 HydrophobicContact SD-CG1 4.38Å; A40-V88 HydrophobicContact CB-CG2 4.3Å; I59-V88 HydrophobicContact CD1-CB 4.45Å; I59-V88 HydrophobicContact CD1-CG1 4.24Å; I59-V88 HydrophobicContact CD1-CG2 4.29Å; I59-V88 HydrophobicContact CG2-CG2 4.2Å; I72-V88 HydrophobicContact CD1-CG1 3.99Å; A84-V88 WeakPolarHBondContact O-CG2 3.48Å; A84-V88 PolarHBondContact O-N 2.8Å; V85-V88 PolarHBondContact O-N 2.81Å; V88-E90 PolarHBondContact O-N 2.88Å; V88-Q91 PolarHBondContact O-N 2.81Å; V88-L92 HydrophobicContact CG1-CD1 4.23Å; V88-L92 HydrophobicContact CG1-CD2 4.09Å; V88-L92 HydrophobicContact CG1-CG 4.07Å; V88-L92 PolarHBondContact O-N 3Å
89L95.5Very high95.7Very high1 Ų125 Ų251%0.00512%0.124CC..Hα-helixtrans-68.9-20.2-177-69173.3000113.7I72 V85 Q91 L92 A94 V96 M110 K117 V119I72-L89 HydrophobicContact CD1-CD2 4.09Å; I72-L89 HydrophobicContact CD1-CG 4.5Å; V85-L89 HydrophobicContact CG1-CD1 3.51Å; V85-L89 HydrophobicContact CG1-CG 4.11Å; V85-L89 WeakPolarHBondContact O-CB 3.32Å; V85-L89 VanDerWaalsContact O-CG 3.24Å; V85-L89 WeakPolarHBondContact O-CG 3.44Å; V85-L89 PolarHBondContact O-N 2.82Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-L92 CarbonylContact C-O 3.56Å; L89-L92 WeakPolarHBondContact CA-O 3.48Å; L89-A94 HydrophobicContact CD2-CB 4.37Å; L89-V96 HydrophobicContact CD1-CG2 3.88Å; L89-V96 HydrophobicContact CD2-CG2 4.16Å; L89-M110 HydrophobicContact CB-CE 4.45Å; L89-M110 HydrophobicContact CD1-CE 4.33Å; L89-M110 HydrophobicContact CD1-SD 4.22Å; L89-K117 WeakPolarHBondContact O-CD 3.46Å; L89-K117 WeakPolarHBondContact O-CE 3.38Å; L89-K117 PolarHBondContact O-NZ 2.89Å; L89-V119 HydrophobicContact CD1-CG1 3.96Å; L89-V119 HydrophobicContact CD1-CG2 3.95Å; L89-V119 HydrophobicContact CD2-CG1 4.44Å
90E92.7Very high95.9Very high99 Ų9927.5 Ų27.546%0.46313%0.134SC..Hα-helixtrans-66.9-37.3170.8-167.9165.6-164.700111.2S86 V88 R113S86-E90 PolarHBondContact O-N 2.93Å; V88-E90 PolarHBondContact O-N 2.88Å; E90-R113 IonicContact OE2-CZ 3.73Å; E90-R113 IonicContact OE2-NH2 2.81Å; E90-R113 PolarHBondContact OE2-NH2 2.81Å
91Q93Very high96.2Very high98 Ų9825 Ų2546%0.45812%0.122SC..Hα-helixtrans-89.2-26.8-176.7-62.7-177.361.900114.1I59 L63 V88 L89I59-Q91 HydrophobicContact CD1-CB 4.36Å; L63-Q91 HydrophobicContact CD2-CB 4.03Å; V88-Q91 PolarHBondContact O-N 2.81Å; L89-Q91 VanDerWaalsContact C-N 3.32Å
92L94.5Very high96.2Very high9 Ų925 Ų255%0.04712%0.122CC..SBendtrans-142.2163-178.967.980.1000113.7I59 V62 L63 L69 V88 L89 A94 K117I59-L92 HydrophobicContact CD1-CD2 4.39Å; V62-L92 HydrophobicContact CG1-CD2 3.77Å; L63-L92 HydrophobicContact CD2-CB 4.1Å; L63-L92 HydrophobicContact CD2-CD2 3.96Å; L69-L92 HydrophobicContact CD2-CD1 3.6Å; L69-L92 HydrophobicContact CD2-CD2 4.14Å; V88-L92 HydrophobicContact CG1-CD1 4.23Å; V88-L92 HydrophobicContact CG1-CD2 4.09Å; V88-L92 HydrophobicContact CG1-CG 4.07Å; V88-L92 PolarHBondContact O-N 3Å; L89-L92 CarbonylContact C-O 3.56Å; L89-L92 WeakPolarHBondContact CA-O 3.48Å; L92-A94 HydrophobicContact CD1-CB 3.67Å; L92-K117 PolarHBondContact O-NZ 2.99Å
93D94.6Very high96.3Very high130 Ų13025 Ų2570%0.69512%0.122SC*.  trans-97.8118.2174.5-72.6-48000110.9K117D93-K117 WeakPolarHBondContact OD1-CE 3.28Å; D93-K117 IonicContact OD1-NZ 2.65Å; D93-K117 PolarHBondContact OD1-NZ 3.19Å
94A96.5Very high96.4Very high9 Ų926.1 Ų26.17%0.07413%0.131CC..  trans-144.8144.2173.100000111.5L69 I72 L89 L92L69-A94 HydrophobicContact CD2-CB 3.78Å; L69-A94 HydrophobicContact CG-CB 4.33Å; I72-A94 HydrophobicContact CD1-CB 4.15Å; I72-A94 HydrophobicContact CG1-CB 4.04Å; L89-A94 HydrophobicContact CD2-CB 4.37Å; L92-A94 HydrophobicContact CD1-CB 3.67Å
95P97.8Very high96.4Very high11 Ų1126.7 Ų26.77%0.07113%0.134CC..  trans-69.5145.1164.831-33000110.5K70 G71 I72 Y97 R120 Y122K70-P95 WeakPolarHBondContact O-CG 3.44Å; G71-P95 VanDerWaalsContact CA-O 3.23Å; G71-P95 WeakPolarHBondContact CA-O 3.33Å; I72-P95 PolarHBondContact N-O 3.27Å; P95-Y97 HydrophobicContact CB-CE2 3.95Å; P95-Y97 HydrophobicContact CG-CE2 3.89Å; P95-R120 CarbonylContact C-O 3.56Å; P95-R120 WeakPolarHBondContact CA-O 3.5Å; P95-R120 HydrophobicContact CB-CB 4.21Å; P95-Y122 HydrophobicContact CB-CD2 4.05Å; P95-Y122 HydrophobicContact CB-CE2 3.72Å
96V98.6Very high96.3Very high0 Ų026.8 Ų26.80%013%0.134CC..EExtended strand (participates in β ladder)trans-114.1127.9-179.1-179.50000109.3I72 L74 L89 I103 I106 V119 R120 Y121 Y122I72-V96 WeakPolarHBondContact O-CA 3.38Å; L74-V96 HydrophobicContact CD1-CG1 3.41Å; L74-V96 VanDerWaalsContact CD1-CG1 3.41Å; L74-V96 HydrophobicContact CG-CG1 4.22Å; L89-V96 HydrophobicContact CD1-CG2 3.88Å; L89-V96 HydrophobicContact CD2-CG2 4.16Å; V96-I103 HydrophobicContact CG1-CD1 3.94Å; V96-I106 HydrophobicContact CG1-CD1 4.33Å; V96-V119 HydrophobicContact CG2-CG1 3.85Å; V96-R120 PolarHBondContact N-O 2.83Å; V96-Y121 HydrophobicContact CB-CD1 3.92Å; V96-Y121 HydrophobicContact CB-CE1 4.27Å; V96-Y121 HydrophobicContact CG1-CD1 4.28Å; V96-Y121 HydrophobicContact CG2-CD1 4.48Å; V96-Y121 HydrophobicContact CG2-CE1 4.38Å; V96-Y121 CarbonylContact O-C 3.51Å; V96-Y121 WeakPolarHBondContact O-CA 3.37Å; V96-Y122 PolarHBondContact O-N 2.81Å
97Y98.8Very high96.3Very high20 Ų2031.6 Ų31.68%0.07816%0.155CC..EExtended strand (participates in β ladder)trans-113.8129.2178.2-57.6-97000108.8I72 F73 L74 P95 Y122 V124 M130 F132I72-Y97 PolarHBondContact O-N 2.89Å; F73-Y97 HydrophobicContact CD1-CD2 4.16Å; F73-Y97 HydrophobicContact CD1-CG 4.03Å; F73-Y97 HydrophobicContact CD2-CD2 4.48Å; F73-Y97 HydrophobicContact CE1-CD1 4.23Å; F73-Y97 AromaticContact CE1-CD2 3.72Å; F73-Y97 HydrophobicContact CE1-CD2 3.72Å; F73-Y97 HydrophobicContact CE1-CE2 4.3Å; F73-Y97 AromaticContact CE1-CG 3.7Å; F73-Y97 HydrophobicContact CE1-CG 3.7Å; F73-Y97 HydrophobicContact CE2-CD2 4.03Å; F73-Y97 HydrophobicContact CE2-CE2 4.34Å; F73-Y97 AromaticContact CZ-CD2 3.64Å; F73-Y97 HydrophobicContact CZ-CD2 3.64Å; F73-Y97 AromaticContact CZ-CE2 3.87Å; F73-Y97 HydrophobicContact CZ-CE2 3.87Å; F73-Y97 HydrophobicContact CZ-CG 4.1Å; L74-Y97 PolarHBondContact N-O 3.36Å; P95-Y97 HydrophobicContact CB-CE2 3.95Å; P95-Y97 HydrophobicContact CG-CE2 3.89Å; Y97-Y122 WeakPolarHBondContact CA-O 3.43Å; Y97-Y122 VanDerWaalsContact CD1-CB 3.44Å; Y97-Y122 AromaticContact CD1-CD2 3.99Å; Y97-Y122 HydrophobicContact CD1-CD2 3.99Å; Y97-Y122 AromaticContact CD1-CG 3.97Å; Y97-Y122 HydrophobicContact CD1-CG 3.97Å; Y97-Y122 AromaticContact CE1-CD2 3.43Å; Y97-Y122 HydrophobicContact CE1-CD2 3.43Å; Y97-Y122 VanDerWaalsContact CE1-CD2 3.43Å; Y97-Y122 HydrophobicContact CE1-CE2 4.19Å; Y97-Y122 AromaticContact CE1-CG 3.63Å; Y97-Y122 HydrophobicContact CE1-CG 3.63Å; Y97-Y122 HydrophobicContact CE2-CD2 4.3Å; Y97-Y122 AromaticContact CZ-CD2 3.62Å; Y97-V124 HydrophobicContact CD1-CG1 4.22Å; Y97-M130 HydrophobicContact CD1-CG 3.86Å; Y97-M130 HydrophobicContact CD1-SD 3.8Å; Y97-M130 HydrophobicContact CE1-CG 3.96Å; Y97-M130 HydrophobicContact CE1-SD 3.7Å; Y97-F132 HydrophobicContact CE2-CZ 4.25Å; Y97-F132 AromaticContact CZ-CZ 3.95Å
98G98.5Very high96.3Very high0 Ų033.5 Ų33.50%017%0.165CC..EExtended strand (participates in β ladder)trans-169.9170.2177.700000111.3Y122 T123 V124G98-Y122 PolarHBondContact N-O 2.85Å; G98-T123 VanDerWaalsContact O-CA 3.31Å; G98-T123 WeakPolarHBondContact O-CA 3.35Å; G98-V124 PolarHBondContact O-N 2.78Å
99S98Very high96Very high2 Ų235.4 Ų35.41%0.01417%0.174CC..  trans-65167.8176.175.20000112.3L101 T102 I103 V124 D148S99-L101 VanDerWaalsContact C-N 3.28Å; S99-L101 PolarHBondContact O-N 3.37Å; S99-T102 PolarHBondContact O-N 3.04Å; S99-T102 PolarHBondContact OG-N 3.23Å; S99-T102 PolarHBondContact OG-OG1 3.03Å; S99-I103 VanDerWaalsContact O-CG1 3.32Å; S99-I103 WeakPolarHBondContact O-CG1 3.42Å; S99-I103 PolarHBondContact O-N 2.81Å; S99-V124 WeakPolarHBondContact CA-O 3.31Å; S99-D148 VanDerWaalsContact CB-O 3.32Å; S99-D148 WeakPolarHBondContact CB-O 3.28Å; S99-D148 WeakPolarHBondContact OG-CB 3.45Å; S99-D148 PolarHBondContact OG-O 2.9Å
100K97.3Very high95.9Very high111 Ų11135.7 Ų35.748%0.48318%0.176SC..Hα-helixtrans-58.3-44.1-175.7-164.1-162.5174.9-176.20110.9A104 T123 M272K100-A104 PolarHBondContact O-N 3.26Å; K100-T123 HydrophobicContact CB-CG2 3.86Å; K100-T123 HydrophobicContact CG-CG2 4.33Å; K100-M272 HydrophobicContact CB-CE 4.04Å; K100-M272 HydrophobicContact CD-CE 3.53Å; K100-M272 HydrophobicContact CG-CE 3.42Å; K100-M272 VanDerWaalsContact CG-CE 3.42Å; K100-M272 WeakPolarHBondContact O-CE 3.32Å
101L97.3Very high95.9Very high0 Ų037.6 Ų37.60%018%0.183CC..Hα-helixtrans-65.2-49.6176.5179.958.8000111.6S99 I103 A104 L105 I146 P147 F238 A269 M272 Y274S99-L101 VanDerWaalsContact C-N 3.28Å; S99-L101 PolarHBondContact O-N 3.37Å; L101-I103 VanDerWaalsContact C-N 3.32Å; L101-I103 PolarHBondContact O-N 2.93Å; L101-A104 WeakPolarHBondContact O-CB 3.33Å; L101-A104 PolarHBondContact O-N 3.41Å; L101-L105 HydrophobicContact CD1-CD1 4.14Å; L101-L105 HydrophobicContact CD1-CG 4.16Å; L101-L105 HydrophobicContact CG-CD1 4.01Å; L101-L105 HydrophobicContact CG-CG 4.45Å; L101-L105 WeakPolarHBondContact O-CG 3.32Å; L101-L105 PolarHBondContact O-N 3.01Å; L101-I146 HydrophobicContact CD2-CD1 4.14Å; L101-I146 HydrophobicContact CD2-CG1 3.78Å; L101-P147 HydrophobicContact CD2-CB 4.3Å; L101-P147 HydrophobicContact CD2-CG 3.82Å; L101-F238 HydrophobicContact CD1-CE2 4.23Å; L101-F238 HydrophobicContact CD2-CD2 4.29Å; L101-F238 HydrophobicContact CD2-CE2 3.79Å; L101-A269 HydrophobicContact CD1-CB 4.19Å; L101-M272 HydrophobicContact CD1-SD 4.39Å; L101-Y274 HydrophobicContact CB-CE2 3.82Å; L101-Y274 HydrophobicContact CD1-CD2 4.18Å; L101-Y274 HydrophobicContact CD1-CE2 4.03Å; L101-Y274 HydrophobicContact CD2-CE2 4.47Å; L101-Y274 HydrophobicContact CG-CE2 4.32Å; L101-Y274 PolarHBondContact N-OH 3.19Å
102T97.9Very high95.6Very high0 Ų036.4 Ų36.40%019%0.19CC..Hα-helixtrans-56.4-45.3-179.5-58.30000112L74 G77 I82 S99 A104 L105 I106L74-T102 HydrophobicContact CB-CG2 3.71Å; L74-T102 HydrophobicContact CD1-CG2 3.92Å; G77-T102 PolarHBondContact N-OG1 2.9Å; I82-T102 HydrophobicContact CG2-CG2 3.89Å; S99-T102 PolarHBondContact O-N 3.04Å; S99-T102 PolarHBondContact OG-N 3.23Å; S99-T102 PolarHBondContact OG-OG1 3.03Å; T102-A104 VanDerWaalsContact C-N 3.33Å; T102-A104 PolarHBondContact O-N 3.2Å; T102-L105 PolarHBondContact O-N 3.12Å; T102-I106 HydrophobicContact CG2-CD1 4.28Å; T102-I106 WeakPolarHBondContact O-CG1 3.42Å; T102-I106 PolarHBondContact O-N 2.7Å
103I98Very high95.4Very high4 Ų439.2 Ų39.22%0.02120%0.199CC..Hα-helixtrans-64.6-37.3176.5-64.7-59.6000111.8V96 S99 L101 K107 Y121V96-I103 HydrophobicContact CG1-CD1 3.94Å; S99-I103 VanDerWaalsContact O-CG1 3.32Å; S99-I103 WeakPolarHBondContact O-CG1 3.42Å; S99-I103 PolarHBondContact O-N 2.81Å; L101-I103 VanDerWaalsContact C-N 3.32Å; L101-I103 PolarHBondContact O-N 2.93Å; I103-K107 HydrophobicContact CG2-CD 4.22Å; I103-K107 WeakPolarHBondContact O-CG 3.36Å; I103-K107 PolarHBondContact O-N 3.42Å; I103-Y121 HydrophobicContact CD1-CD1 3.99Å; I103-Y121 HydrophobicContact CG2-CD1 4.11Å; I103-Y121 HydrophobicContact CG2-CG 4.06Å
104A96.9Very high95.1Very high24 Ų2440 Ų4020%0.19820%0.204CC..Hα-helixtrans-66-4317800000111.7K100 L101 T102 K107 E108 I268 M272K100-A104 PolarHBondContact O-N 3.26Å; L101-A104 WeakPolarHBondContact O-CB 3.33Å; L101-A104 PolarHBondContact O-N 3.41Å; T102-A104 VanDerWaalsContact C-N 3.33Å; T102-A104 PolarHBondContact O-N 3.2Å; A104-K107 PolarHBondContact O-N 3.01Å; A104-E108 PolarHBondContact O-N 3.39Å; A104-E108 VanDerWaalsContact O-N 3.12Å; A104-I268 HydrophobicContact CB-CG2 3.76Å; A104-M272 HydrophobicContact CB-CE 4.12Å; A104-M272 HydrophobicContact CB-SD 3.67Å
105L95.7Very high94.7Very high13 Ų1341 Ų417%0.06821%0.208CC..Hα-helixtrans-63.5-43.1177-66.6171.6000111.6I82 L101 T102 K107 E108 N109 I146 I268I82-L105 HydrophobicContact CD1-CB 3.96Å; L101-L105 HydrophobicContact CD1-CD1 4.14Å; L101-L105 HydrophobicContact CD1-CG 4.16Å; L101-L105 HydrophobicContact CG-CD1 4.01Å; L101-L105 HydrophobicContact CG-CG 4.45Å; L101-L105 WeakPolarHBondContact O-CG 3.32Å; L101-L105 PolarHBondContact O-N 3.01Å; T102-L105 PolarHBondContact O-N 3.12Å; L105-K107 VanDerWaalsContact C-N 3.35Å; L105-K107 PolarHBondContact O-N 3.14Å; L105-E108 PolarHBondContact O-N 2.81Å; L105-E108 VanDerWaalsContact O-N 3.16Å; L105-N109 PolarHBondContact O-N 2.52Å; L105-N109 PolarHBondContact O-OD1 3.38Å; L105-I146 HydrophobicContact CD1-CD1 4Å; L105-I268 HydrophobicContact CD2-CD1 4.16Å; L105-I268 HydrophobicContact CD2-CG2 4.44Å
106I95.6Very high94.2Very high2 Ų248.5 Ų48.51%0.0125%0.247CC..Hα-helixtrans-62.6-42.1176-73.4169000112.1L74 I82 V85 V96 T102 E108 N109 M110 Y121L74-I106 HydrophobicContact CD1-CD1 2.96Å; L74-I106 HydrophobicContact CD1-CG1 4.43Å; L74-I106 HydrophobicContact CG-CD1 4.37Å; I82-I106 HydrophobicContact CB-CD1 4.05Å; I82-I106 HydrophobicContact CB-CG1 3.98Å; I82-I106 HydrophobicContact CD1-CG1 4.03Å; I82-I106 HydrophobicContact CG1-CG1 4.36Å; I82-I106 HydrophobicContact CG2-CD1 4.12Å; I82-I106 HydrophobicContact CG2-CG1 4.41Å; V85-I106 HydrophobicContact CB-CD1 4.45Å; V85-I106 HydrophobicContact CG1-CD1 4.21Å; V85-I106 HydrophobicContact CG1-CG2 4.02Å; V85-I106 HydrophobicContact CG2-CD1 4.14Å; V96-I106 HydrophobicContact CG1-CD1 4.33Å; T102-I106 HydrophobicContact CG2-CD1 4.28Å; T102-I106 WeakPolarHBondContact O-CG1 3.42Å; T102-I106 PolarHBondContact O-N 2.7Å; I106-E108 PolarHBondContact O-N 2.89Å; I106-N109 PolarHBondContact O-N 2.89Å; I106-N109 VanDerWaalsContact O-N 3.14Å; I106-M110 HydrophobicContact CG2-CG 4.06Å; I106-M110 WeakPolarHBondContact O-CB 3.42Å; I106-M110 WeakPolarHBondContact O-CG 3.36Å; I106-M110 PolarHBondContact O-N 2.84Å; I106-Y121 HydrophobicContact CG2-CE1 3.8Å
107K95Very high93.8Very high107 Ų10751.3 Ų51.347%0.46526%0.259SS..Hα-helixtrans-60.8-37.5177.3-76.8175.7177.6-179.30111.5I103 A104 L105 K111 Y121I103-K107 HydrophobicContact CG2-CD 4.22Å; I103-K107 WeakPolarHBondContact O-CG 3.36Å; I103-K107 PolarHBondContact O-N 3.42Å; A104-K107 PolarHBondContact O-N 3.01Å; L105-K107 VanDerWaalsContact C-N 3.35Å; L105-K107 PolarHBondContact O-N 3.14Å; K107-K111 WeakPolarHBondContact O-CB 3.44Å; K107-K111 PolarHBondContact O-N 3.3Å; K107-K111 VanDerWaalsContact O-N 3.07Å; K107-Y121 HydrophobicContact CG-CD2 4.36Å; K107-Y121 HydrophobicContact CG-CE1 4.48Å; K107-Y121 HydrophobicContact CG-CE2 3.98Å
108E93.3Very high93.5Very high61 Ų6160.3 Ų60.329%0.28530%0.299SS..Hα-helixtrans-67.3-43.1173.3-167.465.4-162.300111.4A104 L105 I106 M110 K111 A112 I268A104-E108 PolarHBondContact O-N 3.39Å; A104-E108 VanDerWaalsContact O-N 3.12Å; L105-E108 PolarHBondContact O-N 2.81Å; L105-E108 VanDerWaalsContact O-N 3.16Å; I106-E108 PolarHBondContact O-N 2.89Å; E108-M110 PolarHBondContact O-N 3.32Å; E108-K111 WeakPolarHBondContact O-CB 3.22Å; E108-K111 PolarHBondContact O-N 2.86Å; E108-K111 VanDerWaalsContact O-N 3.16Å; E108-A112 WeakPolarHBondContact O-CB 3.38Å; E108-A112 PolarHBondContact O-N 2.83Å; E108-I268 HydrophobicContact CB-CD1 3.64Å; E108-I268 HydrophobicContact CG-CD1 3.8Å
109N90.6Very high93.3Very high42 Ų4261.4 Ų61.423%0.22531%0.306CS..Hα-helixtrans-61.5-41.8177.1-72.45000112E79 L105 I106 K111 A112 R113E79-N109 PolarHBondContact OE1-ND2 3.25Å; E79-N109 VanDerWaalsContact OE1-ND2 3.11Å; L105-N109 PolarHBondContact O-N 2.52Å; L105-N109 PolarHBondContact O-OD1 3.38Å; I106-N109 PolarHBondContact O-N 2.89Å; I106-N109 VanDerWaalsContact O-N 3.14Å; N109-K111 VanDerWaalsContact C-N 3.34Å; N109-K111 PolarHBondContact O-N 2.79Å; N109-A112 PolarHBondContact O-N 3.17Å; N109-R113 PolarHBondContact O-N 3.49Å; N109-R113 VanDerWaalsContact O-N 3.13Å
110M93.1Very high93.3Very high7 Ų769 Ų693%0.03433%0.334CS..Hα-helixtrans-61.7-41.9174.6-68-72.8-69.400111.8L89 I106 E108 R113 N114 I115 V119L89-M110 HydrophobicContact CB-CE 4.45Å; L89-M110 HydrophobicContact CD1-CE 4.33Å; L89-M110 HydrophobicContact CD1-SD 4.22Å; I106-M110 HydrophobicContact CG2-CG 4.06Å; I106-M110 WeakPolarHBondContact O-CB 3.42Å; I106-M110 WeakPolarHBondContact O-CG 3.36Å; I106-M110 PolarHBondContact O-N 2.84Å; E108-M110 PolarHBondContact O-N 3.32Å; M110-R113 PolarHBondContact O-N 2.94Å; M110-N114 PolarHBondContact O-N 3.18Å; M110-I115 HydrophobicContact CE-CB 3.82Å; M110-I115 HydrophobicContact CE-CD1 4.33Å; M110-I115 HydrophobicContact CE-CG2 3.42Å; M110-I115 VanDerWaalsContact CE-CG2 3.42Å; M110-I115 PolarHBondContact O-N 3.29Å; M110-I115 HydrophobicContact SD-CB 4.41Å; M110-I115 HydrophobicContact SD-CD1 4Å; M110-I115 HydrophobicContact SD-CG2 4.44Å; M110-V119 HydrophobicContact CE-CG2 3.96Å
111K92Very high93.3Very high140 Ų14066.2 Ų66.261%0.60932%0.321SS*.Hα-helixtrans-67.7-43.3177.3-177.4-172.9171.8-160.20111.8K107 E108 N109 R113 N114K107-K111 WeakPolarHBondContact O-CB 3.44Å; K107-K111 PolarHBondContact O-N 3.3Å; K107-K111 VanDerWaalsContact O-N 3.07Å; E108-K111 WeakPolarHBondContact O-CB 3.22Å; E108-K111 PolarHBondContact O-N 2.86Å; E108-K111 VanDerWaalsContact O-N 3.16Å; N109-K111 VanDerWaalsContact C-N 3.34Å; N109-K111 PolarHBondContact O-N 2.79Å; K111-R113 PolarHBondContact O-N 3.13Å; K111-N114 PolarHBondContact O-N 2.95Å
112A88.1Confident93.3Very high73 Ų7371 Ų7160%0.60334%0.339SS*.Hα-helixtrans-60.2-33.2177.600000112.1E108 N109 N114E108-A112 WeakPolarHBondContact O-CB 3.38Å; E108-A112 PolarHBondContact O-N 2.83Å; N109-A112 PolarHBondContact O-N 3.17Å; A112-N114 VanDerWaalsContact C-N 3.34Å
113R88.8Confident93.3Very high67 Ų6775 Ų7525%0.25336%0.364SS..THydrogen-bonded Turntrans-86.53.8174.3-68.3-171.661-157.1-9.5114.7S86 E90 N109 M110 K111 I115S86-R113 VanDerWaalsContact CB-NH1 3.26Å; S86-R113 WeakPolarHBondContact OG-CD 3.2Å; S86-R113 PolarHBondContact OG-NH1 2.88Å; E90-R113 IonicContact OE2-CZ 3.73Å; E90-R113 IonicContact OE2-NH2 2.81Å; E90-R113 PolarHBondContact OE2-NH2 2.81Å; N109-R113 PolarHBondContact O-N 3.49Å; N109-R113 VanDerWaalsContact O-N 3.13Å; M110-R113 PolarHBondContact O-N 2.94Å; K111-R113 PolarHBondContact O-N 3.13Å; R113-I115 HydrophobicContact CB-CD1 3.95Å; R113-I115 HydrophobicContact CB-CG1 3.91Å; R113-I115 PolarHBondContact O-N 2.95Å
114N90.2Very high93.4Very high148 Ų14875 Ų7579%0.79137%0.365SS*.THydrogen-bonded Turntrans55.334.1-177.5-57.2-59.7000114.3M110 K111 A112 D116M110-N114 PolarHBondContact O-N 3.18Å; K111-N114 PolarHBondContact O-N 2.95Å; A112-N114 VanDerWaalsContact C-N 3.34Å; N114-D116 PolarHBondContact O-N 2.85Å
115I87.5Confident93.3Very high29 Ų2977.3 Ų77.315%0.14937%0.373CS..  trans-85.4100.1178.9-57.2173.8000109.4S86 M110 R113 K117S86-I115 WeakPolarHBondContact O-CD1 3.27Å; M110-I115 HydrophobicContact CE-CB 3.82Å; M110-I115 HydrophobicContact CE-CD1 4.33Å; M110-I115 HydrophobicContact CE-CG2 3.42Å; M110-I115 VanDerWaalsContact CE-CG2 3.42Å; M110-I115 PolarHBondContact O-N 3.29Å; M110-I115 HydrophobicContact SD-CB 4.41Å; M110-I115 HydrophobicContact SD-CD1 4Å; M110-I115 HydrophobicContact SD-CG2 4.44Å; R113-I115 HydrophobicContact CB-CD1 3.95Å; R113-I115 HydrophobicContact CB-CG1 3.91Å; R113-I115 PolarHBondContact O-N 2.95Å; I115-K117 VanDerWaalsContact C-N 3.26Å; I115-K117 HydrophobicContact CG2-CB 3.84Å; I115-K117 PolarHBondContact O-N 2.99Å; I115-K117 VanDerWaalsContact O-N 3.14Å
116D86.2Confident93.3Very high168 Ų16878.5 Ų78.590%0.89838%0.38SS*.  trans-8857.2177-168.620.9000112.2N114N114-D116 PolarHBondContact O-N 2.85Å
117K90.6Very high93.2Very high60 Ų6084.5 Ų84.526%0.26141%0.412SS..  trans-107.8134179.3-166.5172.7179.4-1790110.6L89 L92 D93 I115 V119L89-K117 WeakPolarHBondContact O-CD 3.46Å; L89-K117 WeakPolarHBondContact O-CE 3.38Å; L89-K117 PolarHBondContact O-NZ 2.89Å; L92-K117 PolarHBondContact O-NZ 2.99Å; D93-K117 WeakPolarHBondContact OD1-CE 3.28Å; D93-K117 IonicContact OD1-NZ 2.65Å; D93-K117 PolarHBondContact OD1-NZ 3.19Å; I115-K117 VanDerWaalsContact C-N 3.26Å; I115-K117 HydrophobicContact CG2-CB 3.84Å; I115-K117 PolarHBondContact O-N 2.99Å; I115-K117 VanDerWaalsContact O-N 3.14Å; K117-V119 PolarHBondContact O-N 3.03Å
118K92Very high93.3Very high208 Ų20880.5 Ų80.590%0.90440%0.397SS*.  trans-74.492.4175.4-72.3-173.8-178.2177.30110.8
119V95.4Very high93.5Very high24 Ų2480.8 Ų80.815%0.14540%0.4CS..  trans-93.9137.3175.7178.90000110.2L89 V96 M110 K117 Y121L89-V119 HydrophobicContact CD1-CG1 3.96Å; L89-V119 HydrophobicContact CD1-CG2 3.95Å; L89-V119 HydrophobicContact CD2-CG1 4.44Å; V96-V119 HydrophobicContact CG2-CG1 3.85Å; M110-V119 HydrophobicContact CE-CG2 3.96Å; K117-V119 PolarHBondContact O-N 3.03Å; V119-Y121 HydrophobicContact CB-CD2 4.32Å; V119-Y121 HydrophobicContact CB-CE1 4.22Å; V119-Y121 HydrophobicContact CB-CE2 3.63Å; V119-Y121 HydrophobicContact CG1-CD1 4.07Å; V119-Y121 HydrophobicContact CG1-CD2 4.29Å; V119-Y121 HydrophobicContact CG1-CE1 3.63Å; V119-Y121 HydrophobicContact CG1-CE2 3.88Å; V119-Y121 HydrophobicContact CG1-CG 4.4Å; V119-Y121 WeakPolarHBondContact O-CD2 3.38Å; V119-Y121 PolarHBondContact O-N 2.97Å
120R97.1Very high93.9Very high161 Ų16180.7 Ų80.761%0.60840%0.399SS*.  trans-86.1107.2172.7-69.4-175.8-66.4-165.4-2.6109.4P95 V96 Y122P95-R120 CarbonylContact C-O 3.56Å; P95-R120 WeakPolarHBondContact CA-O 3.5Å; P95-R120 HydrophobicContact CB-CB 4.21Å; V96-R120 PolarHBondContact N-O 2.83Å; R120-Y122 HydrophobicContact CB-CE2 4.06Å
121Y97.7Very high94Very high53 Ų5388.1 Ų88.121%0.20843%0.426CS..EExtended strand (participates in β ladder)trans-97.6129175.1-58.7-78.4000110.6V96 I103 I106 K107 V119V96-Y121 HydrophobicContact CB-CD1 3.92Å; V96-Y121 HydrophobicContact CB-CE1 4.27Å; V96-Y121 HydrophobicContact CG1-CD1 4.28Å; V96-Y121 HydrophobicContact CG2-CD1 4.48Å; V96-Y121 HydrophobicContact CG2-CE1 4.38Å; V96-Y121 CarbonylContact O-C 3.51Å; V96-Y121 WeakPolarHBondContact O-CA 3.37Å; I103-Y121 HydrophobicContact CD1-CD1 3.99Å; I103-Y121 HydrophobicContact CG2-CD1 4.11Å; I103-Y121 HydrophobicContact CG2-CG 4.06Å; I106-Y121 HydrophobicContact CG2-CE1 3.8Å; K107-Y121 HydrophobicContact CG-CD2 4.36Å; K107-Y121 HydrophobicContact CG-CE1 4.48Å; K107-Y121 HydrophobicContact CG-CE2 3.98Å; V119-Y121 HydrophobicContact CB-CD2 4.32Å; V119-Y121 HydrophobicContact CB-CE1 4.22Å; V119-Y121 HydrophobicContact CB-CE2 3.63Å; V119-Y121 HydrophobicContact CG1-CD1 4.07Å; V119-Y121 HydrophobicContact CG1-CD2 4.29Å; V119-Y121 HydrophobicContact CG1-CE1 3.63Å; V119-Y121 HydrophobicContact CG1-CE2 3.88Å; V119-Y121 HydrophobicContact CG1-CG 4.4Å; V119-Y121 WeakPolarHBondContact O-CD2 3.38Å; V119-Y121 PolarHBondContact O-N 2.97Å
122Y98.3Very high94.2Very high99 Ų9982.6 Ų82.639%0.38840%0.403SS..EExtended strand (participates in β ladder)trans-115.7117.5173.6-65.3-79.7000109.3P95 V96 Y97 G98 R120P95-Y122 HydrophobicContact CB-CD2 4.05Å; P95-Y122 HydrophobicContact CB-CE2 3.72Å; V96-Y122 PolarHBondContact O-N 2.81Å; Y97-Y122 WeakPolarHBondContact CA-O 3.43Å; Y97-Y122 VanDerWaalsContact CD1-CB 3.44Å; Y97-Y122 AromaticContact CD1-CD2 3.99Å; Y97-Y122 HydrophobicContact CD1-CD2 3.99Å; Y97-Y122 AromaticContact CD1-CG 3.97Å; Y97-Y122 HydrophobicContact CD1-CG 3.97Å; Y97-Y122 AromaticContact CE1-CD2 3.43Å; Y97-Y122 HydrophobicContact CE1-CD2 3.43Å; Y97-Y122 VanDerWaalsContact CE1-CD2 3.43Å; Y97-Y122 HydrophobicContact CE1-CE2 4.19Å; Y97-Y122 AromaticContact CE1-CG 3.63Å; Y97-Y122 HydrophobicContact CE1-CG 3.63Å; Y97-Y122 HydrophobicContact CE2-CD2 4.3Å; Y97-Y122 AromaticContact CZ-CD2 3.62Å; G98-Y122 PolarHBondContact N-O 2.85Å; R120-Y122 HydrophobicContact CB-CE2 4.06Å
123T98.3Very high94.6Very high85 Ų8585.6 Ų85.652%0.52140%0.402SS..EExtended strand (participates in β ladder)trans-78.9127.3173.2-59.80000109.6G98 K100G98-T123 VanDerWaalsContact O-CA 3.31Å; G98-T123 WeakPolarHBondContact O-CA 3.35Å; K100-T123 HydrophobicContact CB-CG2 3.86Å; K100-T123 HydrophobicContact CG-CG2 4.33Å
124V98.2Very high94.9Very high5 Ų582.5 Ų82.53%0.0339%0.39CS..  trans-124162.2178.9-62.60000111.1Y97 G98 S99 M130 F139 L150Y97-V124 HydrophobicContact CD1-CG1 4.22Å; G98-V124 PolarHBondContact O-N 2.78Å; S99-V124 WeakPolarHBondContact CA-O 3.31Å; V124-M130 HydrophobicContact CG1-CE 4.17Å; V124-M130 HydrophobicContact CG1-CG 4.22Å; V124-M130 HydrophobicContact CG1-SD 3.94Å; V124-F139 HydrophobicContact CB-CD2 4.03Å; V124-F139 HydrophobicContact CB-CE2 3.66Å; V124-F139 HydrophobicContact CB-CZ 3.98Å; V124-F139 HydrophobicContact CG1-CE2 3.78Å; V124-F139 HydrophobicContact CG1-CZ 3.99Å; V124-F139 HydrophobicContact CG2-CD1 4.28Å; V124-F139 HydrophobicContact CG2-CD2 4.23Å; V124-F139 HydrophobicContact CG2-CE1 3.92Å; V124-F139 HydrophobicContact CG2-CE2 3.88Å; V124-F139 HydrophobicContact CG2-CG 4.43Å; V124-F139 HydrophobicContact CG2-CZ 3.71Å; V124-L150 HydrophobicContact CG2-CD1 4.03Å
125N96.8Very high95.3Very high71 Ų7175.4 Ų75.438%0.3835%0.353SS..  trans-146-178.4175.464.51.6000109.9D127 S128N125-D127 PolarHBondContact O-N 3.04Å; N125-D127 PolarHBondContact OD1-N 3.1Å; N125-S128 PolarHBondContact N-OG 2.71Å; N125-S128 VanDerWaalsContact O-CB 3.25Å; N125-S128 WeakPolarHBondContact O-CB 3.33Å; N125-S128 PolarHBondContact O-N 3.36Å; N125-S128 PolarHBondContact OD1-N 2.9Å; N125-S128 VanDerWaalsContact OD1-N 3.09Å; N125-S128 PolarHBondContact OD1-OG 2.87Å
126N94.6Very high95.8Very high39 Ų3974.3 Ų74.321%0.20935%0.347CS..THydrogen-bonded Turntrans-55.6-29.1177.259.2-29.3000114.7S128 N141 D180N126-S128 VanDerWaalsContact C-N 3.34Å; N126-N141 WeakPolarHBondContact CB-OD1 3.44Å; N126-D180 PolarHBondContact ND2-OD2 3.26Å
127D94.1Very high96.4Very high128 Ų12866.3 Ų66.368%0.68430%0.304SS*.THydrogen-bonded Turntrans-83.8-8.7178.2-60.9-45.3000113.8N125N125-D127 PolarHBondContact O-N 3.04Å; N125-D127 PolarHBondContact OD1-N 3.1Å
128S97.3Very high96.7Very high22 Ų2263.5 Ų63.515%0.15429%0.292CS..  trans-77.3138.1-173.1-67.20000112.3N125 N126 S138N125-S128 PolarHBondContact N-OG 2.71Å; N125-S128 VanDerWaalsContact O-CB 3.25Å; N125-S128 WeakPolarHBondContact O-CB 3.33Å; N125-S128 PolarHBondContact O-N 3.36Å; N125-S128 PolarHBondContact OD1-N 2.9Å; N125-S128 VanDerWaalsContact OD1-N 3.09Å; N125-S128 PolarHBondContact OD1-OG 2.87Å; N126-S128 VanDerWaalsContact C-N 3.34Å; S128-S138 WeakPolarHBondContact O-CA 3.04Å
129I97.4Very high97Very high68 Ų6853.6 Ų53.635%0.34925%0.249SC..EExtended strand (participates in β ladder)trans-128.5109.3173.3-59.9163.3000109.5L3 R131 N136 I137L3-I129 HydrophobicContact CD2-CD1 3.88Å; L3-I129 HydrophobicContact CD2-CG1 4.31Å; L3-I129 HydrophobicContact CD2-CG2 3.92Å; I129-R131 HydrophobicContact CG2-CG 4.42Å; I129-N136 HydrophobicContact CG2-CB 4.1Å; I129-I137 CarbonylContact C-O 3.1Å; I129-I137 WeakPolarHBondContact CA-O 3.4Å
130M97.5Very high97.1Very high40 Ų4052.5 Ų52.520%0.19724%0.242CC..EExtended strand (participates in β ladder)trans-87.9128.7175.9-57.3-58.793.500110F73 Y97 V124 F132 N136 I137 F139F73-M130 HydrophobicContact CE1-CG 4.48Å; Y97-M130 HydrophobicContact CD1-CG 3.86Å; Y97-M130 HydrophobicContact CD1-SD 3.8Å; Y97-M130 HydrophobicContact CE1-CG 3.96Å; Y97-M130 HydrophobicContact CE1-SD 3.7Å; V124-M130 HydrophobicContact CG1-CE 4.17Å; V124-M130 HydrophobicContact CG1-CG 4.22Å; V124-M130 HydrophobicContact CG1-SD 3.94Å; M130-F132 HydrophobicContact CB-CD2 4.43Å; M130-F132 HydrophobicContact CB-CE2 3.57Å; M130-F132 HydrophobicContact CB-CZ 4.12Å; M130-N136 CarbonylContact O-C 3.53Å; M130-N136 WeakPolarHBondContact O-CA 3.32Å; M130-I137 HydrophobicContact CB-CB 4.4Å; M130-I137 PolarHBondContact N-O 2.97Å; M130-I137 PolarHBondContact O-N 2.78Å; M130-F139 HydrophobicContact CG-CE2 4.13Å; M130-F139 HydrophobicContact CG-CZ 4.34Å
131R96.6Very high97.2Very high162 Ų16246 Ų4661%0.61122%0.22SC*.EExtended strand (participates in β ladder)trans-107.6113.9-172-58.8-170.2175.5-134.6-1.2110.9I129 N136I129-R131 HydrophobicContact CG2-CG 4.42Å; R131-N136 WeakPolarHBondContact CA-OD1 3.33Å; R131-N136 WeakPolarHBondContact CG-OD1 3.44Å
132F96.6Very high97.2Very high25 Ų2543.6 Ų43.611%0.1121%0.21CC..  trans-109177.7177.8-64.2-79.5000111.5K5 E34 F36 K70 F73 Y97 M130 N134 V135 I137K5-F132 WeakPolarHBondContact CD-O 3.3Å; K5-F132 WeakPolarHBondContact CE-O 3.37Å; K5-F132 PolarHBondContact NZ-O 3.36Å; E34-F132 WeakPolarHBondContact OE2-CB 3.49Å; F36-F132 HydrophobicContact CE1-CB 4.27Å; F36-F132 AromaticContact CE1-CD1 3.97Å; F36-F132 HydrophobicContact CE1-CD1 3.97Å; F36-F132 AromaticContact CE1-CD2 3.75Å; F36-F132 HydrophobicContact CE1-CD2 3.75Å; F36-F132 HydrophobicContact CE1-CE1 4.29Å; F36-F132 HydrophobicContact CE1-CE2 4.09Å; F36-F132 AromaticContact CE1-CG 3.7Å; F36-F132 HydrophobicContact CE1-CG 3.7Å; F36-F132 HydrophobicContact CE1-CZ 4.36Å; F36-F132 HydrophobicContact CZ-CB 4.17Å; F36-F132 HydrophobicContact CZ-CD2 4.27Å; F36-F132 HydrophobicContact CZ-CG 4.1Å; K70-F132 HydrophobicContact CB-CD1 3.8Å; K70-F132 HydrophobicContact CB-CE1 3.81Å; K70-F132 HydrophobicContact CG-CD1 4.29Å; F73-F132 HydrophobicContact CE1-CE2 4.27Å; F73-F132 HydrophobicContact CE1-CZ 4.4Å; F73-F132 AromaticContact CZ-CE2 3.67Å; F73-F132 HydrophobicContact CZ-CE2 3.67Å; F73-F132 AromaticContact CZ-CZ 3.59Å; F73-F132 HydrophobicContact CZ-CZ 3.59Å; Y97-F132 HydrophobicContact CE2-CZ 4.25Å; Y97-F132 AromaticContact CZ-CZ 3.95Å; M130-F132 HydrophobicContact CB-CD2 4.43Å; M130-F132 HydrophobicContact CB-CE2 3.57Å; M130-F132 HydrophobicContact CB-CZ 4.12Å; F132-N134 PolarHBondContact O-N 3.34Å; F132-V135 CarbonylContact C-O 3.16Å; F132-V135 WeakPolarHBondContact CA-O 3.39Å; F132-V135 HydrophobicContact CB-CG2 4.33Å; F132-V135 WeakPolarHBondContact CB-O 3.23Å; F132-V135 PolarHBondContact N-O 2.85Å; F132-I137 HydrophobicContact CD2-CD1 4.01Å; F132-I137 HydrophobicContact CD2-CG1 4.11Å; F132-I137 HydrophobicContact CE2-CB 4.36Å; F132-I137 HydrophobicContact CE2-CD1 3.79Å; F132-I137 HydrophobicContact CE2-CG1 4.11Å
133K95.6Very high97.1Very high136 Ų13638.9 Ų38.959%0.59119%0.192SC*.SBendtrans-62.9-44.7-175.6-177.6-172.6167.9-169.60111.5D33 E34D33-K133 IonicContact OD1-NZ 3.97Å; D33-K133 PolarHBondContact OD1-NZ 3.02Å; D33-K133 IonicContact OD2-NZ 2.99Å; D33-K133 PolarHBondContact OD2-NZ 2.85Å; E34-K133 WeakPolarHBondContact OE1-CB 3.38Å; E34-K133 PolarHBondContact OE1-N 2.87Å; E34-K133 PolarHBondContact OE2-N 3.07Å
134N95.6Very high97Very high1 Ų134.9 Ų34.91%0.00517%0.167CC..SBendtrans-104-27.4-168.6-57.7-30.7000113.2K6 N8 V31 D33 E34 F132K6-N134 VanDerWaalsContact CE-OD1 3.26Å; K6-N134 WeakPolarHBondContact CE-OD1 3.41Å; K6-N134 PolarHBondContact NZ-OD1 2.57Å; N8-N134 PolarHBondContact ND2-O 2.59Å; V31-N134 PolarHBondContact O-ND2 2.82Å; D33-N134 PolarHBondContact OD1-ND2 3.48Å; E34-N134 WeakPolarHBondContact CG-ND2 3.25Å; E34-N134 VanDerWaalsContact OE2-CB 3.28Å; E34-N134 WeakPolarHBondContact OE2-CB 3.34Å; E34-N134 PolarHBondContact OE2-N 2.99Å; F132-N134 PolarHBondContact O-N 3.34Å
135V97.6Very high96.8Very high0 Ų034.7 Ų34.70%017%0.166CC..  trans-137.9164.7-174-63.60000111.7V31 F36 F132 I154 H155 T156V31-V135 HydrophobicContact CB-CG1 4.01Å; V31-V135 HydrophobicContact CG1-CG1 3.63Å; V31-V135 HydrophobicContact CG2-CG1 4.25Å; F36-V135 HydrophobicContact CE1-CG2 4.36Å; F36-V135 HydrophobicContact CE2-CG2 3.5Å; F36-V135 VanDerWaalsContact CE2-CG2 3.5Å; F36-V135 HydrophobicContact CZ-CG2 3.33Å; F132-V135 CarbonylContact C-O 3.16Å; F132-V135 WeakPolarHBondContact CA-O 3.39Å; F132-V135 HydrophobicContact CB-CG2 4.33Å; F132-V135 WeakPolarHBondContact CB-O 3.23Å; F132-V135 PolarHBondContact N-O 2.85Å; V135-I154 HydrophobicContact CB-CG2 4.09Å; V135-I154 HydrophobicContact CG1-CG2 4.2Å; V135-I154 HydrophobicContact CG2-CG2 3.9Å; V135-H155 WeakPolarHBondContact CB-O 3.46Å; V135-H155 WeakPolarHBondContact CG1-O 3.44Å; V135-T156 HydrophobicContact CG1-CG2 4.46Å
136N97.9Very high96.8Very high5 Ų531.4 Ų31.43%0.02715%0.149CC..EExtended strand (participates in β ladder)trans-110.4149.1161-67.1-49.9000108.5L3 K5 I129 M130 R131 H155L3-N136 HydrophobicContact CD2-CB 4.42Å; L3-N136 PolarHBondContact O-ND2 3.02Å; K5-N136 WeakPolarHBondContact CE-OD1 3.32Å; I129-N136 HydrophobicContact CG2-CB 4.1Å; M130-N136 CarbonylContact O-C 3.53Å; M130-N136 WeakPolarHBondContact O-CA 3.32Å; R131-N136 WeakPolarHBondContact CA-OD1 3.33Å; R131-N136 WeakPolarHBondContact CG-OD1 3.44Å; N136-H155 WeakPolarHBondContact O-CB 3.48Å; N136-H155 PolarHBondContact O-CD2 3.47Å; N136-H155 PolarHBondContact O-N 3.33Å
137I98.5Very high96.8Very high0 Ų029.6 Ų29.60%014%0.139CC..EExtended strand (participates in β ladder)trans-118.1126.9175.3-61-179.7000108.6F36 F73 I129 M130 F132 F139 V152 C153 I154F36-I137 HydrophobicContact CD1-CD1 3.5Å; F36-I137 HydrophobicContact CD2-CD1 4.42Å; F36-I137 HydrophobicContact CE1-CD1 3.71Å; F36-I137 HydrophobicContact CG-CD1 3.88Å; F36-I137 HydrophobicContact CZ-CD1 4.28Å; F73-I137 HydrophobicContact CD1-CD1 4.43Å; F73-I137 HydrophobicContact CD1-CG2 4.04Å; F73-I137 HydrophobicContact CD2-CD1 4.46Å; F73-I137 HydrophobicContact CE1-CB 4.23Å; F73-I137 HydrophobicContact CE1-CD1 3.77Å; F73-I137 HydrophobicContact CE1-CG2 3.87Å; F73-I137 HydrophobicContact CE2-CD1 3.86Å; F73-I137 HydrophobicContact CZ-CD1 3.46Å; F73-I137 VanDerWaalsContact CZ-CD1 3.46Å; I129-I137 CarbonylContact C-O 3.1Å; I129-I137 WeakPolarHBondContact CA-O 3.4Å; M130-I137 HydrophobicContact CB-CB 4.4Å; M130-I137 PolarHBondContact N-O 2.97Å; M130-I137 PolarHBondContact O-N 2.78Å; F132-I137 HydrophobicContact CD2-CD1 4.01Å; F132-I137 HydrophobicContact CD2-CG1 4.11Å; F132-I137 HydrophobicContact CE2-CB 4.36Å; F132-I137 HydrophobicContact CE2-CD1 3.79Å; F132-I137 HydrophobicContact CE2-CG1 4.11Å; I137-F139 HydrophobicContact CG2-CE1 4.3Å; I137-F139 HydrophobicContact CG2-CZ 4.02Å; I137-V152 HydrophobicContact CG2-CG1 3.66Å; I137-C153 CarbonylContact C-O 3.29Å; I137-C153 VanDerWaalsContact CA-O 3.25Å; I137-C153 WeakPolarHBondContact CA-O 3.07Å; I137-I154 HydrophobicContact CD1-CG1 4.09Å; I137-I154 HydrophobicContact CG1-CB 4.45Å; I137-I154 HydrophobicContact CG1-CG1 4.1Å; I137-I154 HydrophobicContact CG1-CG2 4.31Å
138S98.3Very high96.9Very high1 Ų124.5 Ų24.51%0.00711%0.112CC..EExtended strand (participates in β ladder)trans-120.9176.7172.276.50000110.8S128 C153 H155S128-S138 WeakPolarHBondContact O-CA 3.04Å; S138-C153 PolarHBondContact N-O 3Å; S138-C153 PolarHBondContact O-N 2.97Å; S138-H155 PolarHBondContact OG-NE2 3.19Å
139F98.4Very high96.9Very high1 Ų123.5 Ų23.50%0.00411%0.105CC..EExtended strand (participates in β ladder)trans-133.8167.4-176.8-50.1-89.7000110.9F73 V124 M130 I137 L150 G151 V152F73-F139 AromaticContact CD1-CE1 4Å; F73-F139 HydrophobicContact CD1-CE1 4Å; F73-F139 AromaticContact CD1-CZ 3.87Å; F73-F139 HydrophobicContact CD1-CZ 3.87Å; F73-F139 HydrophobicContact CE1-CZ 4.19Å; V124-F139 HydrophobicContact CB-CD2 4.03Å; V124-F139 HydrophobicContact CB-CE2 3.66Å; V124-F139 HydrophobicContact CB-CZ 3.98Å; V124-F139 HydrophobicContact CG1-CE2 3.78Å; V124-F139 HydrophobicContact CG1-CZ 3.99Å; V124-F139 HydrophobicContact CG2-CD1 4.28Å; V124-F139 HydrophobicContact CG2-CD2 4.23Å; V124-F139 HydrophobicContact CG2-CE1 3.92Å; V124-F139 HydrophobicContact CG2-CE2 3.88Å; V124-F139 HydrophobicContact CG2-CG 4.43Å; V124-F139 HydrophobicContact CG2-CZ 3.71Å; M130-F139 HydrophobicContact CG-CE2 4.13Å; M130-F139 HydrophobicContact CG-CZ 4.34Å; I137-F139 HydrophobicContact CG2-CE1 4.3Å; I137-F139 HydrophobicContact CG2-CZ 4.02Å; F139-L150 HydrophobicContact CB-CD1 4.5Å; F139-L150 HydrophobicContact CB-CD2 4.3Å; F139-L150 HydrophobicContact CD1-CD1 4.32Å; F139-L150 HydrophobicContact CG-CD1 4.49Å; F139-G151 VanDerWaalsContact CA-O 3.24Å; F139-G151 WeakPolarHBondContact CA-O 3.38Å; F139-V152 HydrophobicContact CD1-CG2 4.08Å; F139-V152 HydrophobicContact CE1-CG1 4.25Å; F139-V152 HydrophobicContact CE1-CG2 4.1Å
140F97.9Very high96.9Very high0 Ų020.3 Ų20.30%09%0.088CC..EExtended strand (participates in β ladder)trans-147.514716960.1-84.8000109.1T142 L150 G151 C153 V162 R183 M184 I187 M383F140-T142 HydrophobicContact CD2-CG2 3.99Å; F140-T142 HydrophobicContact CE2-CG2 3.59Å; F140-L150 CarbonylContact O-C 3.59Å; F140-L150 WeakPolarHBondContact O-CA 3.47Å; F140-G151 PolarHBondContact N-O 2.89Å; F140-G151 PolarHBondContact O-N 3.37Å; F140-C153 VanDerWaalsContact CD1-SG 3.51Å; F140-C153 VanDerWaalsContact CE1-SG 3.56Å; F140-V162 HydrophobicContact CE1-CG1 3.77Å; F140-V162 HydrophobicContact CZ-CG1 3.9Å; F140-R183 HydrophobicContact CB-CB 4.28Å; F140-R183 HydrophobicContact CB-CG 3.8Å; F140-M184 HydrophobicContact CD2-CE 3.71Å; F140-M184 HydrophobicContact CD2-CG 3.64Å; F140-M184 HydrophobicContact CD2-SD 4.44Å; F140-M184 HydrophobicContact CE2-CE 3.91Å; F140-M184 HydrophobicContact CE2-CG 3.98Å; F140-M184 HydrophobicContact CE2-SD 4.48Å; F140-M184 HydrophobicContact CG-CG 4.34Å; F140-I187 HydrophobicContact CB-CD1 4.13Å; F140-I187 HydrophobicContact CD1-CD1 3.68Å; F140-I187 HydrophobicContact CE1-CD1 4.38Å; F140-I187 HydrophobicContact CG-CD1 4.1Å; F140-M383 HydrophobicContact CE1-CE 4.2Å; F140-M383 HydrophobicContact CE2-CE 3.89Å; F140-M383 HydrophobicContact CZ-CE 3.67Å
141N97.5Very high97Very high26 Ų2618.4 Ų18.414%0.1398%0.079CC..EExtended strand (participates in β ladder)trans-75.3138.2179.9-73.518.5000111N126 S149 L150 D180 M184N126-N141 WeakPolarHBondContact CB-OD1 3.44Å; N141-S149 WeakPolarHBondContact CA-O 3.4Å; N141-L150 VanDerWaalsContact OD1-CD2 3.3Å; N141-L150 WeakPolarHBondContact OD1-CD2 3.32Å; N141-D180 HydrophobicContact CB-CB 4.12Å; N141-D180 PolarHBondContact O-N 3.04Å; N141-M184 WeakPolarHBondContact O-CE 3.39Å
142T97.6Very high97.1Very high2 Ų210.8 Ų10.81%0.0125%0.05CC..  trans-114.5160.4168.157.80000110.4F140 S149 F167 M184F140-T142 HydrophobicContact CD2-CG2 3.99Å; F140-T142 HydrophobicContact CE2-CG2 3.59Å; T142-S149 PolarHBondContact N-O 2.7Å; T142-S149 WeakPolarHBondContact OG1-CB 3.46Å; T142-S149 PolarHBondContact OG1-OG 3.16Å; T142-F167 HydrophobicContact CG2-CB 4.09Å; T142-M184 HydrophobicContact CG2-CE 4.12Å
143T97.5Very high97.2Very high0 Ų09.6 Ų9.60%05%0.045CC..BIsolated β-bridgetrans-90.2128.9168.6-62.10000109F167 K168 D170 L173 Y177 P179T143-F167 CarbonylContact O-C 3.59Å; T143-F167 VanDerWaalsContact O-CA 3.26Å; T143-F167 WeakPolarHBondContact O-CA 3.5Å; T143-K168 WeakPolarHBondContact CB-O 3.18Å; T143-K168 HydrophobicContact CG2-CG 3.94Å; T143-K168 PolarHBondContact O-N 2.98Å; T143-D170 HydrophobicContact CG2-CB 4.11Å; T143-L173 HydrophobicContact CG2-CD1 3.51Å; T143-Y177 WeakPolarHBondContact CA-O 3.47Å; T143-Y177 WeakPolarHBondContact CB-O 3.47Å; T143-Y177 PolarHBondContact OG1-O 3.33Å; T143-P179 WeakPolarHBondContact OG1-CD 3.46Å; T143-P179 WeakPolarHBondContact OG1-CG 3.43Å
144H95.8Very high97.3Very high0 Ų03.1 Ų3.10%02%0.017CC..  trans-146.4-179.3171.6-163.519.2000109.7H76 H78 I146 E166 I239 S369H76-H144 AromaticContact CD2-CD2 3.46Å; H76-H144 PolarHBondContact CD2-CD2 2.94Å; H76-H144 VanDerWaalsContact CD2-CD2 3.46Å; H76-H144 AromaticContact CD2-NE2 3.88Å; H76-H144 AromaticContact NE2-CD2 3.63Å; H76-H144 AromaticContact NE2-NE2 3.6Å; H78-H144 AromaticContact CE1-CD2 3.9Å; H78-H144 AromaticContact CE1-CE1 3.96Å; H78-H144 AromaticContact CE1-NE2 3.4Å; H78-H144 PolarHBondContact CE1-NE2 3.1Å; H78-H144 AromaticContact ND1-NE2 3.56Å; H144-I146 PolarHBondContact O-N 2.77Å; H144-E166 IonicContact CD2-OE2 2.75Å; H144-E166 IonicContact CE1-OE2 2.7Å; H144-E166 PolarHBondContact CE1-OE2 2.8Å; H144-E166 WeakPolarHBondContact NE2-CB 3.38Å; H144-E166 IonicContact NE2-OE2 3.98Å; H144-E166 PolarHBondContact NE2-OE2 2.75Å; H144-I239 VanDerWaalsContact O-CD1 3.28Å; H144-I239 WeakPolarHBondContact O-CD1 3.36Å; H144-S369 WeakPolarHBondContact CE1-CB 3.36Å; H144-S369 WeakPolarHBondContact ND1-CB 3.44Å; H144-S369 PolarHBondContact ND1-O 2.79Å
145S94.9Very high97.4Very high2 Ų23.5 Ų3.51%0.0142%0.019CC..SBendtrans-72.5-5.1179.457.80000115H78 N237 F238 I239 S369H78-S145 PolarHBondContact CE1-OG 3.43Å; H78-S145 PolarHBondContact NE2-OG 2.95Å; S145-N237 CarbonylContact O-C 3.59Å; S145-F238 PolarHBondContact O-N 2.74Å; S145-I239 PolarHBondContact O-N 3.45Å; S145-S369 VanDerWaalsContact CB-OG 3.26Å; S145-S369 WeakPolarHBondContact CB-OG 3.4Å; S145-S369 PolarHBondContact OG-OG 2.92Å
146I95.5Very high97.4Very high2 Ų23.6 Ų3.61%0.012%0.019CC..SBendtrans-124.2143.8176.1-164.2167.7000110.3H76 L101 L105 H144 F238H76-I146 HydrophobicContact CB-CG2 3.88Å; L101-I146 HydrophobicContact CD2-CD1 4.14Å; L101-I146 HydrophobicContact CD2-CG1 3.78Å; L105-I146 HydrophobicContact CD1-CD1 4Å; H144-I146 PolarHBondContact O-N 2.77Å; I146-F238 HydrophobicContact CD1-CE2 4.49Å; I146-F238 HydrophobicContact CD1-CZ 4.37Å; I146-F238 HydrophobicContact CG1-CD2 4.2Å; I146-F238 HydrophobicContact CG1-CE2 4.25Å; I146-F238 HydrophobicContact CG1-CG 4.35Å
147P95.1Very high97.3Very high0 Ų05.1 Ų5.10%03%0.03CC..SBendtrans-67.9163.5-179.80.64.2000112.9L101 S149 H176 Y177 F238 Y274L101-P147 HydrophobicContact CD2-CB 4.3Å; L101-P147 HydrophobicContact CD2-CG 3.82Å; P147-S149 PolarHBondContact O-N 2.78Å; P147-H176 HydrophobicContact CB-CB 3.71Å; P147-Y177 HydrophobicContact CB-CD1 4.47Å; P147-Y177 HydrophobicContact CB-CE1 4.02Å; P147-Y177 HydrophobicContact CB-CE2 4.24Å; P147-Y177 WeakPolarHBondContact CD-OH 3.31Å; P147-Y177 HydrophobicContact CG-CE1 3.88Å; P147-Y177 HydrophobicContact CG-CE2 4.16Å; P147-Y177 WeakPolarHBondContact CG-OH 3.32Å; P147-Y177 VanDerWaalsContact N-CE1 3.32Å; P147-F238 VanDerWaalsContact CD-CD2 3.41Å; P147-F238 HydrophobicContact CG-CD2 3.83Å; P147-Y274 HydrophobicContact CB-CD1 3.66Å; P147-Y274 HydrophobicContact CB-CE1 4.02Å; P147-Y274 HydrophobicContact CB-CG 4.41Å; P147-Y274 HydrophobicContact CG-CD1 3.78Å; P147-Y274 HydrophobicContact CG-CE1 4.49Å; P147-Y274 HydrophobicContact CG-CG 4.04Å
148D95.2Very high97.1Very high21 Ų218 Ų811%0.1124%0.042CC..SBendtrans54.340.1177.8-64-10000112.9S99 H176 Y274S99-D148 VanDerWaalsContact CB-O 3.32Å; S99-D148 WeakPolarHBondContact CB-O 3.28Å; S99-D148 WeakPolarHBondContact OG-CB 3.45Å; S99-D148 PolarHBondContact OG-O 2.9Å; D148-H176 PolarHBondContact N-O 3.44Å; D148-H176 IonicContact OD1-CE1 2.67Å; D148-H176 IonicContact OD1-CG 2.7Å; D148-H176 IonicContact OD1-ND1 3.12Å; D148-H176 PolarHBondContact OD1-ND1 2.96Å; D148-Y274 WeakPolarHBondContact OD2-CE1 3.34Å; D148-Y274 VanDerWaalsContact OD2-CZ 3.3Å; D148-Y274 PolarHBondContact OD2-OH 3.12Å
149S97.6Very high97Very high1 Ų18.5 Ų8.51%0.0075%0.047CC..  trans-73.9134.6169.2-166.20000110.2N141 T142 P147N141-S149 WeakPolarHBondContact CA-O 3.4Å; T142-S149 PolarHBondContact N-O 2.7Å; T142-S149 WeakPolarHBondContact OG1-CB 3.46Å; T142-S149 PolarHBondContact OG1-OG 3.16Å; P147-S149 PolarHBondContact O-N 2.78Å
150L98.4Very high97Very high2 Ų28.7 Ų8.71%0.015%0.048CC..EExtended strand (participates in β ladder)trans-128.3137.5-173.8-62.9173.5000111.1T75 V124 F139 F140 N141T75-L150 WeakPolarHBondContact CA-O 3.38Å; T75-L150 WeakPolarHBondContact CB-O 3.26Å; T75-L150 WeakPolarHBondContact CG2-O 3.45Å; T75-L150 PolarHBondContact O-N 3.32Å; V124-L150 HydrophobicContact CG2-CD1 4.03Å; F139-L150 HydrophobicContact CB-CD1 4.5Å; F139-L150 HydrophobicContact CB-CD2 4.3Å; F139-L150 HydrophobicContact CD1-CD1 4.32Å; F139-L150 HydrophobicContact CG-CD1 4.49Å; F140-L150 CarbonylContact O-C 3.59Å; F140-L150 WeakPolarHBondContact O-CA 3.47Å; N141-L150 VanDerWaalsContact OD1-CD2 3.3Å; N141-L150 WeakPolarHBondContact OD1-CD2 3.32Å
151G98.5Very high97.1Very high0 Ų08.8 Ų8.80%05%0.049CC..EExtended strand (participates in β ladder)trans-85.2154.9154.500000111.4F139 F140 Y163F139-G151 VanDerWaalsContact CA-O 3.24Å; F139-G151 WeakPolarHBondContact CA-O 3.38Å; F140-G151 PolarHBondContact N-O 2.89Å; F140-G151 PolarHBondContact O-N 3.37Å; G151-Y163 CarbonylContact C-O 3.27Å; G151-Y163 VanDerWaalsContact CA-O 3.29Å; G151-Y163 WeakPolarHBondContact CA-O 3.42Å
152V98.8Very high97.1Very high1 Ų17.5 Ų7.51%0.0064%0.042CC..EExtended strand (participates in β ladder)trans-116.6131.8-177.2-175.50000109.7L38 F73 T75 I137 F139 V162 Y163L38-V152 HydrophobicContact CD2-CB 4.3Å; L38-V152 HydrophobicContact CD2-CG1 3.93Å; F73-V152 HydrophobicContact CB-CG1 4.41Å; F73-V152 HydrophobicContact CB-CG2 4.37Å; T75-V152 HydrophobicContact CG2-CG2 4.18Å; I137-V152 HydrophobicContact CG2-CG1 3.66Å; F139-V152 HydrophobicContact CD1-CG2 4.08Å; F139-V152 HydrophobicContact CE1-CG1 4.25Å; F139-V152 HydrophobicContact CE1-CG2 4.1Å; V152-V162 WeakPolarHBondContact O-CA 3.5Å; V152-Y163 PolarHBondContact N-O 3.33Å; V152-Y163 PolarHBondContact O-N 3.07Å
153C98.6Very high97.2Very high0 Ų07.5 Ų7.50%04%0.042CC..EExtended strand (participates in β ladder)trans-119.7115.5177.9-55.40000110.7I137 S138 F140 H155 A160 I187I137-C153 CarbonylContact C-O 3.29Å; I137-C153 VanDerWaalsContact CA-O 3.25Å; I137-C153 WeakPolarHBondContact CA-O 3.07Å; S138-C153 PolarHBondContact N-O 3Å; S138-C153 PolarHBondContact O-N 2.97Å; F140-C153 VanDerWaalsContact CD1-SG 3.51Å; F140-C153 VanDerWaalsContact CE1-SG 3.56Å; C153-H155 PolarHBondContact O-CD2 2.85Å; C153-A160 HydrophobicContact CB-CB 4.46Å; C153-I187 VanDerWaalsContact SG-CD1 3.55Å
154I98.6Very high97.2Very high1 Ų17.5 Ų7.51%0.0054%0.042CC..EExtended strand (participates in β ladder)trans-96.3107.8173.4-52.1177.3000108.2V29 V31 F36 L38 V135 I137 T156 A160 I161V29-I154 HydrophobicContact CB-CD1 3.74Å; V29-I154 HydrophobicContact CG1-CD1 3.77Å; V29-I154 HydrophobicContact CG2-CD1 4.11Å; V31-I154 HydrophobicContact CG2-CG2 4.26Å; F36-I154 HydrophobicContact CB-CD1 4.15Å; F36-I154 HydrophobicContact CD2-CD1 4.14Å; F36-I154 HydrophobicContact CD2-CG2 4.48Å; F36-I154 HydrophobicContact CE2-CG2 4.48Å; F36-I154 HydrophobicContact CG-CD1 4.35Å; L38-I154 HydrophobicContact CD2-CD1 4.41Å; V135-I154 HydrophobicContact CB-CG2 4.09Å; V135-I154 HydrophobicContact CG1-CG2 4.2Å; V135-I154 HydrophobicContact CG2-CG2 3.9Å; I137-I154 HydrophobicContact CD1-CG1 4.09Å; I137-I154 HydrophobicContact CG1-CB 4.45Å; I137-I154 HydrophobicContact CG1-CG1 4.1Å; I137-I154 HydrophobicContact CG1-CG2 4.31Å; I154-T156 PolarHBondContact O-N 2.96Å; I154-A160 WeakPolarHBondContact O-CA 3.23Å; I154-I161 HydrophobicContact CB-CB 4.31Å; I154-I161 PolarHBondContact N-O 3.47Å; I154-I161 PolarHBondContact O-N 3.49Å
155H98.1Very high97.3Very high9 Ų97.6 Ų7.64%0.0424%0.042CC..EExtended strand (participates in β ladder)trans-81.8109.5-173.3-66.2-83000111.4L3 V135 N136 S138 C153L3-H155 HydrophobicContact CB-CB 3.93Å; L3-H155 VanDerWaalsContact CD1-CE1 3.42Å; L3-H155 WeakPolarHBondContact CD1-CE1 3.17Å; V135-H155 WeakPolarHBondContact CB-O 3.46Å; V135-H155 WeakPolarHBondContact CG1-O 3.44Å; N136-H155 WeakPolarHBondContact O-CB 3.48Å; N136-H155 PolarHBondContact O-CD2 3.47Å; N136-H155 PolarHBondContact O-N 3.33Å; S138-H155 PolarHBondContact OG-NE2 3.19Å; C153-H155 PolarHBondContact O-CD2 2.85Å
156T96.7Very high97.4Very high1 Ų17.6 Ų7.61%0.0064%0.042CC..EExtended strand (participates in β ladder)trans-109.3172.2177.783.60000111.4N8 I11 V31 V135 I154 Y158 G159 I161N8-T156 WeakPolarHBondContact OD1-CA 3.42Å; N8-T156 WeakPolarHBondContact OD1-CB 3.45Å; I11-T156 HydrophobicContact CD1-CG2 4.07Å; V31-T156 HydrophobicContact CG2-CG2 4.3Å; V135-T156 HydrophobicContact CG1-CG2 4.46Å; I154-T156 PolarHBondContact O-N 2.96Å; T156-Y158 PolarHBondContact O-N 2.94Å; T156-Y158 PolarHBondContact OG1-N 2.92Å; T156-Y158 VanDerWaalsContact OG1-N 3.14Å; T156-G159 PolarHBondContact N-O 2.95Å; T156-G159 PolarHBondContact O-N 3.06Å; T156-G159 PolarHBondContact OG1-O 3.16Å; T156-I161 HydrophobicContact CG2-CD1 3.95Å; T156-I161 HydrophobicContact CG2-CG1 4.19Å
157S95.2Very high97.5Very high37 Ų377.5 Ų7.526%0.2594%0.042SC..THydrogen-bonded Turntrans-67.2-12.4173.156.30000115.7K6 N8K6-S157 WeakPolarHBondContact O-CB 3.45Å; N8-S157 PolarHBondContact N-OG 3.09Å; N8-S157 PolarHBondContact OD1-N 2.95Å
158Y95.2Very high97.6Very high62 Ų627.6 Ų7.624%0.2434%0.042CC..THydrogen-bonded Turntrans-100.3-2.1-179.9-55.3-77000112.7N8 I11 T156 Y426N8-Y158 HydrophobicContact CB-CE2 4.3Å; N8-Y158 WeakPolarHBondContact O-CE2 3.49Å; N8-Y158 PolarHBondContact O-OH 2.77Å; I11-Y158 HydrophobicContact CD1-CD2 3.73Å; I11-Y158 HydrophobicContact CD1-CE2 4.21Å; T156-Y158 PolarHBondContact O-N 2.94Å; T156-Y158 PolarHBondContact OG1-N 2.92Å; T156-Y158 VanDerWaalsContact OG1-N 3.14Å; Y158-Y426 HydrophobicContact CD1-CE1 4.37Å; Y158-Y426 HydrophobicContact CD2-CE1 4.29Å; Y158-Y426 AromaticContact CE1-CE1 3.75Å; Y158-Y426 HydrophobicContact CE1-CE1 3.75Å; Y158-Y426 AromaticContact CE1-CZ 3.82Å; Y158-Y426 WeakPolarHBondContact CE1-OH 3.38Å; Y158-Y426 HydrophobicContact CE2-CD1 4.1Å; Y158-Y426 AromaticContact CE2-CE1 3.66Å; Y158-Y426 HydrophobicContact CE2-CE1 3.66Å; Y158-Y426 AromaticContact CZ-CE1 3.36Å; Y158-Y426 AromaticContact CZ-CZ 3.94Å
159G96.4Very high97.7Very high11 Ų117.5 Ų7.511%0.1134%0.041CC..EExtended strand (participates in β ladder)trans120.2174.4-168.700000111.4T156 G191T156-G159 PolarHBondContact N-O 2.95Å; T156-G159 PolarHBondContact O-N 3.06Å; T156-G159 PolarHBondContact OG1-O 3.16Å; G159-G191 CarbonylContact C-O 3.54Å; G159-G191 VanDerWaalsContact CA-O 3.23Å; G159-G191 WeakPolarHBondContact CA-O 3.32Å
160A98Very high97.6Very high4 Ų47.6 Ų7.63%0.0334%0.041CC..EExtended strand (participates in β ladder)trans-74.413717800000111.2C153 I154 V162 I187 G191 V192 F193 V194C153-A160 HydrophobicContact CB-CB 4.46Å; I154-A160 WeakPolarHBondContact O-CA 3.23Å; A160-V162 HydrophobicContact CB-CG2 3.83Å; A160-I187 HydrophobicContact CB-CG2 4.45Å; A160-G191 PolarHBondContact N-O 2.9Å; A160-V192 CarbonylContact O-C 3.56Å; A160-F193 PolarHBondContact O-N 2.82Å; A160-V194 PolarHBondContact O-N 3.06Å
161I98.8Very high97.3Very high2 Ų213.4 Ų13.41%0.017%0.068CC..EExtended strand (participates in β ladder)trans-86.5114157.9-60.1167.9000105.7I11 I13 V29 I154 T156 F193 V194 I196I11-I161 HydrophobicContact CG2-CD1 3.62Å; I13-I161 HydrophobicContact CD1-CG2 4.26Å; V29-I161 HydrophobicContact CG1-CD1 3.74Å; V29-I161 HydrophobicContact CG1-CG2 4.43Å; V29-I161 HydrophobicContact CG2-CG2 4.41Å; I154-I161 HydrophobicContact CB-CB 4.31Å; I154-I161 PolarHBondContact N-O 3.47Å; I154-I161 PolarHBondContact O-N 3.49Å; T156-I161 HydrophobicContact CG2-CD1 3.95Å; T156-I161 HydrophobicContact CG2-CG1 4.19Å; I161-F193 HydrophobicContact CG1-CD1 4.45Å; I161-V194 WeakPolarHBondContact CA-O 3.4Å; I161-V194 HydrophobicContact CG1-CB 4.39Å; I161-V194 HydrophobicContact CG1-CG2 4.36Å; I161-V194 HydrophobicContact CG2-CB 4.28Å; I161-I196 HydrophobicContact CG2-CD1 4.12Å
162V98.9Very high97.1Very high0 Ų014.8 Ų14.80%08%0.078CC..EExtended strand (participates in β ladder)trans-107.7124.6-174.3178.90000109.2F140 V152 A160 I187 V192 V194 L195 I196 M383F140-V162 HydrophobicContact CE1-CG1 3.77Å; F140-V162 HydrophobicContact CZ-CG1 3.9Å; V152-V162 WeakPolarHBondContact O-CA 3.5Å; A160-V162 HydrophobicContact CB-CG2 3.83Å; V162-I187 HydrophobicContact CG2-CG2 3.94Å; V162-V192 HydrophobicContact CB-CG1 4.24Å; V162-V192 HydrophobicContact CG2-CB 4.5Å; V162-V192 HydrophobicContact CG2-CG1 3.85Å; V162-V192 HydrophobicContact CG2-CG2 3.9Å; V162-V194 PolarHBondContact N-O 2.92Å; V162-L195 HydrophobicContact CB-CD1 3.9Å; V162-L195 HydrophobicContact CG1-CD1 3.72Å; V162-I196 PolarHBondContact O-N 2.88Å; V162-M383 HydrophobicContact CG1-CE 4.25Å; V162-M383 HydrophobicContact CG1-SD 4.39Å
163Y98.9Very high96.9Very high2 Ų216 Ų161%0.0088%0.084CC..EExtended strand (participates in β ladder)trans-106.8121.9165.7174.4-136.1000109.1Y27 L38 D39 T75 G151 V152 G165 I196 V391Y27-Y163 HydrophobicContact CD2-CE1 4.23Å; Y27-Y163 HydrophobicContact CD2-CE2 4.05Å; Y27-Y163 AromaticContact CD2-CZ 3.87Å; Y27-Y163 HydrophobicContact CE2-CE1 4.37Å; Y27-Y163 AromaticContact CE2-CE2 3.77Å; Y27-Y163 HydrophobicContact CE2-CE2 3.77Å; Y27-Y163 AromaticContact CE2-CZ 3.6Å; Y27-Y163 WeakPolarHBondContact CE2-OH 3.44Å; L38-Y163 HydrophobicContact CB-CD1 3.76Å; L38-Y163 HydrophobicContact CB-CE1 4.09Å; L38-Y163 HydrophobicContact CD1-CD1 3.9Å; L38-Y163 HydrophobicContact CD1-CG 3.9Å; L38-Y163 HydrophobicContact CG-CD1 4.31Å; D39-Y163 WeakPolarHBondContact OD2-CE1 3.39Å; D39-Y163 PolarHBondContact OD2-OH 2.7Å; D39-Y163 VanDerWaalsContact OD2-OH 3.12Å; T75-Y163 HydrophobicContact CG2-CD1 3.57Å; T75-Y163 HydrophobicContact CG2-CE1 3.28Å; G151-Y163 CarbonylContact C-O 3.27Å; G151-Y163 VanDerWaalsContact CA-O 3.29Å; G151-Y163 WeakPolarHBondContact CA-O 3.42Å; V152-Y163 PolarHBondContact N-O 3.33Å; V152-Y163 PolarHBondContact O-N 3.07Å; Y163-G165 PolarHBondContact O-N 3.37Å; Y163-I196 HydrophobicContact CD2-CB 4.02Å; Y163-I196 HydrophobicContact CD2-CG2 3.71Å; Y163-I196 HydrophobicContact CE2-CG2 4.26Å; Y163-V391 HydrophobicContact CE2-CG2 4.22Å
164T98.6Very high96.5Very high0 Ų022.9 Ų22.90%012%0.116CC..  trans-71-20.3-175.658.70000113.3F167 L195 I196 S197 D198 M379T164-F167 HydrophobicContact CG2-CD1 4.34Å; T164-F167 HydrophobicContact CG2-CE1 4.01Å; T164-L195 HydrophobicContact CG2-CD1 3.69Å; T164-I196 PolarHBondContact N-O 3.47Å; T164-I196 PolarHBondContact OG1-O 3.19Å; T164-S197 WeakPolarHBondContact OG1-CA 3.47Å; T164-D198 PolarHBondContact OG1-N 3.04Å; T164-M379 HydrophobicContact CG2-CE 4.42Å; T164-M379 HydrophobicContact CG2-CG 4.04Å; T164-M379 HydrophobicContact CG2-SD 4.31Å
165G97.6Very high96.2Very high1 Ų125.6 Ų25.61%0.0115%0.145CC..  trans60.7-159.9-155.700000110.6Y163Y163-G165 PolarHBondContact O-N 3.37Å
166E96.8Very high96Very high2 Ų229.7 Ų29.71%0.00916%0.163CC..SBendtrans-87.2137.9168.3-65.3175.1-154.100109.6N25 H76 H78 H144 H370 Q392N25-E166 PolarHBondContact ND2-OE1 3.34Å; N25-E166 VanDerWaalsContact ND2-OE1 3.1Å; H76-E166 VanDerWaalsContact CE1-CD 3.45Å; H76-E166 IonicContact CE1-OE1 3.99Å; H76-E166 IonicContact CE1-OE2 3.82Å; H76-E166 IonicContact NE2-OE1 2.85Å; H76-E166 IonicContact NE2-OE2 3.69Å; H78-E166 IonicContact ND1-OE2 3.55Å; H144-E166 IonicContact CD2-OE2 2.75Å; H144-E166 IonicContact CE1-OE2 2.7Å; H144-E166 PolarHBondContact CE1-OE2 2.8Å; H144-E166 WeakPolarHBondContact NE2-CB 3.38Å; H144-E166 IonicContact NE2-OE2 3.98Å; H144-E166 PolarHBondContact NE2-OE2 2.75Å; E166-H370 IonicContact OE2-CE1 3.77Å; E166-H370 PolarHBondContact OE2-CE1 3.42Å; E166-H370 IonicContact OE2-ND1 2.71Å; E166-H370 IonicContact OE2-NE2 3.55Å; E166-Q392 HydrophobicContact CG-CG 4.25Å; E166-Q392 PolarHBondContact OE1-NE2 2.85Å
167F97.7Very high95.9Very high1 Ų130.9 Ų30.90%0.00417%0.168CC..  trans-156.3160.8-176.377.7-79000113.4T142 T143 T164 F169 D198 H370 G371 L376 M379T142-F167 HydrophobicContact CG2-CB 4.09Å; T143-F167 CarbonylContact O-C 3.59Å; T143-F167 VanDerWaalsContact O-CA 3.26Å; T143-F167 WeakPolarHBondContact O-CA 3.5Å; T164-F167 HydrophobicContact CG2-CD1 4.34Å; T164-F167 HydrophobicContact CG2-CE1 4.01Å; F167-F169 HydrophobicContact CD2-CD2 4.44Å; F167-F169 HydrophobicContact CD2-CE2 4.21Å; F167-F169 HydrophobicContact CE2-CD2 4.19Å; F167-F169 AromaticContact CE2-CE2 3.8Å; F167-F169 HydrophobicContact CE2-CE2 3.8Å; F167-D198 HydrophobicContact CD1-CB 4.28Å; F167-D198 HydrophobicContact CE1-CB 4.29Å; F167-H370 CarbonylContact O-C 3.55Å; F167-H370 WeakPolarHBondContact O-CA 3.42Å; F167-G371 PolarHBondContact O-N 3.47Å; F167-L376 HydrophobicContact CE1-CD2 4.18Å; F167-L376 HydrophobicContact CE2-CD2 4.49Å; F167-L376 HydrophobicContact CZ-CD2 3.72Å; F167-M379 HydrophobicContact CD1-CE 4.35Å; F167-M379 HydrophobicContact CD2-CE 3.63Å; F167-M379 HydrophobicContact CE1-CE 4.26Å; F167-M379 HydrophobicContact CE1-CG 4.35Å; F167-M379 HydrophobicContact CE2-CB 3.79Å; F167-M379 HydrophobicContact CE2-CE 3.54Å; F167-M379 HydrophobicContact CE2-CG 4.16Å; F167-M379 HydrophobicContact CG-CE 4.05Å; F167-M379 HydrophobicContact CZ-CB 3.6Å; F167-M379 HydrophobicContact CZ-CE 3.87Å; F167-M379 HydrophobicContact CZ-CG 3.74Å
168K97.1Very high95.8Very high1 Ų130.5 Ų30.50%0.00417%0.167CC..BIsolated β-bridgetrans-137.1-179.8158.766.7175.5175.7-179.20109.9T143 E211 S368 E375T143-K168 WeakPolarHBondContact CB-O 3.18Å; T143-K168 HydrophobicContact CG2-CG 3.94Å; T143-K168 PolarHBondContact O-N 2.98Å; K168-E211 IonicContact NZ-OE1 2.67Å; K168-E211 PolarHBondContact NZ-OE1 2.72Å; K168-S368 WeakPolarHBondContact CD-O 3.44Å; K168-S368 PolarHBondContact NZ-O 2.73Å; K168-E375 WeakPolarHBondContact CB-OE1 3.26Å
169F97Very high95.8Very high19 Ų1928.5 Ų28.58%0.08316%0.162CC..  trans-116117167.3-75.2-76.1000110.3F167 P179 I181 M184 E375 M378 M379 I382F167-F169 HydrophobicContact CD2-CD2 4.44Å; F167-F169 HydrophobicContact CD2-CE2 4.21Å; F167-F169 HydrophobicContact CE2-CD2 4.19Å; F167-F169 AromaticContact CE2-CE2 3.8Å; F167-F169 HydrophobicContact CE2-CE2 3.8Å; F169-P179 HydrophobicContact CD1-CB 4.33Å; F169-P179 HydrophobicContact CD1-CG 4.31Å; F169-P179 HydrophobicContact CE1-CB 4.37Å; F169-I181 HydrophobicContact CE1-CG1 4.26Å; F169-M184 HydrophobicContact CE1-CE 4.33Å; F169-M184 HydrophobicContact CE1-SD 4.01Å; F169-M184 HydrophobicContact CZ-SD 4.02Å; F169-E375 HydrophobicContact CB-CG 4.2Å; F169-E375 HydrophobicContact CD2-CB 3.97Å; F169-E375 HydrophobicContact CD2-CG 4.46Å; F169-E375 WeakPolarHBondContact CE2-O 3.42Å; F169-E375 PolarHBondContact N-OE1 3.36Å; F169-M378 HydrophobicContact CD1-CE 4.34Å; F169-M378 HydrophobicContact CD1-SD 4.4Å; F169-M378 HydrophobicContact CD2-CB 4.42Å; F169-M378 HydrophobicContact CD2-CG 4.38Å; F169-M378 HydrophobicContact CD2-SD 4.09Å; F169-M378 HydrophobicContact CE1-CE 4.27Å; F169-M378 HydrophobicContact CE2-CB 4.19Å; F169-M378 HydrophobicContact CE2-CG 4.05Å; F169-M378 HydrophobicContact CE2-SD 4.26Å; F169-M378 HydrophobicContact CG-SD 4.17Å; F169-M378 HydrophobicContact CZ-CG 4.34Å; F169-M378 HydrophobicContact CZ-SD 4.5Å; F169-M379 HydrophobicContact CE2-CB 4.15Å; F169-M379 HydrophobicContact CE2-CE 4.18Å; F169-M379 HydrophobicContact CZ-CE 3.84Å; F169-I382 HydrophobicContact CZ-CD1 4.29Å
170D95.1Very high95.7Very high4 Ų429.8 Ų29.82%0.02117%0.166CC..  trans-132.4110.8172.7-166.8-32.4000111T143 S172 L173 P210 E211T143-D170 HydrophobicContact CG2-CB 4.11Å; D170-S172 PolarHBondContact O-N 3.22Å; D170-S172 WeakPolarHBondContact OD1-CA 3.49Å; D170-S172 VanDerWaalsContact OD1-CB 3.28Å; D170-S172 WeakPolarHBondContact OD1-CB 3.41Å; D170-S172 PolarHBondContact OD1-N 3.08Å; D170-S172 PolarHBondContact OD1-OG 3.02Å; D170-L173 HydrophobicContact CB-CD1 3.82Å; D170-L173 HydrophobicContact CB-CG 4.06Å; D170-L173 PolarHBondContact O-N 3.19Å; D170-P210 WeakPolarHBondContact OD2-CA 3.47Å; D170-E211 WeakPolarHBondContact OD2-CB 3.19Å; D170-E211 WeakPolarHBondContact OD2-CG 3.38Å; D170-E211 PolarHBondContact OD2-N 3.14Å
171Q92.7Very high95.6Very high124 Ų12432.2 Ų32.258%0.57918%0.178SC*.THydrogen-bonded Turntrans-76.8-9.6-177.4-54.1-60.8-24.300113.2
172S94.1Very high95.4Very high29 Ų2939.3 Ų39.320%0.20321%0.209CC..THydrogen-bonded Turntrans-85.1-10.7176.474.30000113.3D170 N212D170-S172 PolarHBondContact O-N 3.22Å; D170-S172 WeakPolarHBondContact OD1-CA 3.49Å; D170-S172 VanDerWaalsContact OD1-CB 3.28Å; D170-S172 WeakPolarHBondContact OD1-CB 3.41Å; D170-S172 PolarHBondContact OD1-N 3.08Å; D170-S172 PolarHBondContact OD1-OG 3.02Å; S172-N212 VanDerWaalsContact CB-CG 3.43Å; S172-N212 PolarHBondContact OG-N 3.2Å
173L94.1Very high95.3Very high26 Ų2641 Ų4114%0.13622%0.215CC..  trans-92.9149.6-179.7-64.3176.4000112.2T143 D170 E211 I239T143-L173 HydrophobicContact CG2-CD1 3.51Å; D170-L173 HydrophobicContact CB-CD1 3.82Å; D170-L173 HydrophobicContact CB-CG 4.06Å; D170-L173 PolarHBondContact O-N 3.19Å; L173-E211 HydrophobicContact CD1-CG 4.12Å; L173-E211 HydrophobicContact CD2-CB 3.93Å; L173-E211 HydrophobicContact CD2-CG 4.25Å; L173-E211 HydrophobicContact CG-CB 4.33Å; L173-E211 HydrophobicContact CG-CG 4.4Å; L173-I239 HydrophobicContact CD1-CD1 3.48Å; L173-I239 VanDerWaalsContact CD1-CD1 3.48Å; L173-I239 HydrophobicContact CD2-CD1 4.28Å; L173-I239 HydrophobicContact CD2-CG2 4.43Å
174H91Very high95.3Very high145 Ų14541 Ų4167%0.67122%0.215SC*.  trans-136.7168.3-172.9-57.1-44000111.7H176 Y177H174-H176 PolarHBondContact O-N 3.13Å; H174-Y177 PolarHBondContact O-N 3.44Å
175G92.5Very high95.2Very high58 Ų5842.9 Ų42.960%0.59823%0.231SC*.G310 helixtrans61.1-125.117500000112.4Y177 A178G175-Y177 PolarHBondContact O-N 3.06Å; G175-A178 WeakPolarHBondContact O-CB 3.34Å; G175-A178 PolarHBondContact O-N 3.07Å
176H93.3Very high95.2Very high94 Ų9446 Ų4644%0.43525%0.245SC..G310 helixtrans-64.7-8.9-176.2-64-72.7000115.3P147 D148 H174 Y274P147-H176 HydrophobicContact CB-CB 3.71Å; D148-H176 PolarHBondContact N-O 3.44Å; D148-H176 IonicContact OD1-CE1 2.67Å; D148-H176 IonicContact OD1-CG 2.7Å; D148-H176 IonicContact OD1-ND1 3.12Å; D148-H176 PolarHBondContact OD1-ND1 2.96Å; H174-H176 PolarHBondContact O-N 3.13Å; H176-Y274 HydrophobicContact CB-CD1 4.25Å; H176-Y274 HydrophobicContact CB-CE1 4.32Å; H176-Y274 AromaticContact CD2-CD1 3.98Å; H176-Y274 AromaticContact CG-CD1 3.93Å; H176-Y274 AromaticContact CG-CE1 3.84Å; H176-Y274 AromaticContact ND1-CE1 3.76Å
177Y95.4Very high95.2Very high26 Ų2646 Ų4610%0.10225%0.245CC..G310 helixtrans-109.1-6.2176.8-61.8-84.5000113.2T143 P147 H174 G175 F238 I239T143-Y177 WeakPolarHBondContact CA-O 3.47Å; T143-Y177 WeakPolarHBondContact CB-O 3.47Å; T143-Y177 PolarHBondContact OG1-O 3.33Å; P147-Y177 HydrophobicContact CB-CD1 4.47Å; P147-Y177 HydrophobicContact CB-CE1 4.02Å; P147-Y177 HydrophobicContact CB-CE2 4.24Å; P147-Y177 WeakPolarHBondContact CD-OH 3.31Å; P147-Y177 HydrophobicContact CG-CE1 3.88Å; P147-Y177 HydrophobicContact CG-CE2 4.16Å; P147-Y177 WeakPolarHBondContact CG-OH 3.32Å; P147-Y177 VanDerWaalsContact N-CE1 3.32Å; H174-Y177 PolarHBondContact O-N 3.44Å; G175-Y177 PolarHBondContact O-N 3.06Å; Y177-F238 WeakPolarHBondContact OH-CB 3.22Å; Y177-I239 HydrophobicContact CD1-CD1 3.78Å; Y177-I239 HydrophobicContact CD1-CG1 3.65Å; Y177-I239 HydrophobicContact CE1-CD1 3.97Å; Y177-I239 HydrophobicContact CE1-CG1 3.34Å; Y177-I239 HydrophobicContact CG-CD1 4.47Å; Y177-I239 HydrophobicContact CG-CG1 4.37Å
178A93.3Very high95.2Very high30 Ų3046.3 Ų46.325%0.24825%0.249CC..  trans-71.3134.8-176.100000110.7G175G175-A178 WeakPolarHBondContact O-CB 3.34Å; G175-A178 PolarHBondContact O-N 3.07Å
179P93.6Very high95.2Very high20 Ų2054.2 Ų54.213%0.1329%0.286CS..  trans-76.8140.1175.230.9-26.8000109.8T143 F169 I181 M184T143-P179 WeakPolarHBondContact OG1-CD 3.46Å; T143-P179 WeakPolarHBondContact OG1-CG 3.43Å; F169-P179 HydrophobicContact CD1-CB 4.33Å; F169-P179 HydrophobicContact CD1-CG 4.31Å; F169-P179 HydrophobicContact CE1-CB 4.37Å; P179-I181 VanDerWaalsContact C-N 3.28Å; P179-I181 HydrophobicContact CB-CG1 4.26Å; P179-I181 HydrophobicContact CG-CD1 4.29Å; P179-I181 HydrophobicContact CG-CG1 4.11Å; P179-I181 PolarHBondContact O-N 3.38Å; P179-I181 VanDerWaalsContact O-N 3.07Å; P179-M184 HydrophobicContact CB-CE 4.1Å
180D94.6Very high95.1Very high38 Ų3858.7 Ų58.720%0.20331%0.307CS..  trans-87.568.3176-163.8-16.9000110.8N126 N141 K182 R183 M184N126-D180 PolarHBondContact ND2-OD2 3.26Å; N141-D180 HydrophobicContact CB-CB 4.12Å; N141-D180 PolarHBondContact O-N 3.04Å; D180-K182 PolarHBondContact O-N 2.9Å; D180-R183 HydrophobicContact CB-CB 3.97Å; D180-R183 PolarHBondContact O-N 3.33Å; D180-R183 VanDerWaalsContact OD1-CB 3.28Å; D180-R183 WeakPolarHBondContact OD1-CB 3.32Å; D180-R183 PolarHBondContact OD1-N 3.5Å; D180-R183 WeakPolarHBondContact OD2-CB 3.41Å; D180-M184 WeakPolarHBondContact O-CG 3.43Å; D180-M184 PolarHBondContact O-N 2.8Å
181I95.6Very high95.2Very high54 Ų5459.8 Ų59.828%0.27732%0.32SS..Hα-helixtrans-57.4-35.7-176.8-60.2175.7000111F169 P179 M184 A185 M378 I382F169-I181 HydrophobicContact CE1-CG1 4.26Å; P179-I181 VanDerWaalsContact C-N 3.28Å; P179-I181 HydrophobicContact CB-CG1 4.26Å; P179-I181 HydrophobicContact CG-CD1 4.29Å; P179-I181 HydrophobicContact CG-CG1 4.11Å; P179-I181 PolarHBondContact O-N 3.38Å; P179-I181 VanDerWaalsContact O-N 3.07Å; I181-M184 PolarHBondContact O-N 3.41Å; I181-A185 PolarHBondContact O-N 3.22Å; I181-M378 HydrophobicContact CD1-CE 4.27Å; I181-I382 HydrophobicContact CG2-CD1 4.37Å
182K95.7Very high95.5Very high151 Ų15154.2 Ų54.266%0.65729%0.294SS*.Hα-helixtrans-61.7-50.9176.5-177.9-172.2171.3-157.80110.3D180 M184 A185 E186D180-K182 PolarHBondContact O-N 2.9Å; K182-M184 VanDerWaalsContact C-N 3.32Å; K182-M184 PolarHBondContact O-N 2.84Å; K182-A185 PolarHBondContact O-N 2.92Å; K182-E186 WeakPolarHBondContact CE-OE1 3.18Å; K182-E186 IonicContact NZ-OE1 3.7Å; K182-E186 WeakPolarHBondContact O-CG 3.42Å; K182-E186 PolarHBondContact O-N 2.84Å
183R96.4Very high95.7Very high37 Ų3753 Ų5314%0.1429%0.285CS..Hα-helixtrans-62.9-38.9178.8-174.563.2-174.3141.99.2112.1F140 D180 A185 E186 I187 E190F140-R183 HydrophobicContact CB-CB 4.28Å; F140-R183 HydrophobicContact CB-CG 3.8Å; D180-R183 HydrophobicContact CB-CB 3.97Å; D180-R183 PolarHBondContact O-N 3.33Å; D180-R183 VanDerWaalsContact OD1-CB 3.28Å; D180-R183 WeakPolarHBondContact OD1-CB 3.32Å; D180-R183 PolarHBondContact OD1-N 3.5Å; D180-R183 WeakPolarHBondContact OD2-CB 3.41Å; R183-A185 VanDerWaalsContact C-N 3.33Å; R183-A185 PolarHBondContact O-N 3.19Å; R183-E186 WeakPolarHBondContact CD-OE2 3.41Å; R183-E186 IonicContact CZ-OE2 2.72Å; R183-E186 IonicContact NH1-OE2 3.87Å; R183-E186 PolarHBondContact NH1-OE2 3.4Å; R183-E186 PolarHBondContact O-N 3.37Å; R183-I187 HydrophobicContact CG-CD1 4.01Å; R183-I187 WeakPolarHBondContact O-CD1 3.29Å; R183-I187 VanDerWaalsContact O-CG1 3.28Å; R183-I187 WeakPolarHBondContact O-CG1 3.44Å; R183-I187 PolarHBondContact O-N 3.23Å; R183-E190 IonicContact NH1-OE1 2.8Å
184M97.9Very high95.9Very high1 Ų151.7 Ų51.71%0.00528%0.278CS..Hα-helixtrans-59-43.8174.2-64.5173.9-167.300111.6F140 N141 T142 F169 P179 D180 I181 K182 I187 G188 M379 I382 M383F140-M184 HydrophobicContact CD2-CE 3.71Å; F140-M184 HydrophobicContact CD2-CG 3.64Å; F140-M184 HydrophobicContact CD2-SD 4.44Å; F140-M184 HydrophobicContact CE2-CE 3.91Å; F140-M184 HydrophobicContact CE2-CG 3.98Å; F140-M184 HydrophobicContact CE2-SD 4.48Å; F140-M184 HydrophobicContact CG-CG 4.34Å; N141-M184 WeakPolarHBondContact O-CE 3.39Å; T142-M184 HydrophobicContact CG2-CE 4.12Å; F169-M184 HydrophobicContact CE1-CE 4.33Å; F169-M184 HydrophobicContact CE1-SD 4.01Å; F169-M184 HydrophobicContact CZ-SD 4.02Å; P179-M184 HydrophobicContact CB-CE 4.1Å; D180-M184 WeakPolarHBondContact O-CG 3.43Å; D180-M184 PolarHBondContact O-N 2.8Å; I181-M184 PolarHBondContact O-N 3.41Å; K182-M184 VanDerWaalsContact C-N 3.32Å; K182-M184 PolarHBondContact O-N 2.84Å; M184-I187 PolarHBondContact O-N 2.91Å; M184-G188 PolarHBondContact O-N 2.67Å; M184-M379 HydrophobicContact CE-CE 4.2Å; M184-M379 HydrophobicContact SD-CE 4.01Å; M184-M379 HydrophobicContact SD-SD 4.31Å; M184-I382 VanDerWaalsContact C-CG2 3.5Å; M184-I382 HydrophobicContact CB-CG2 3.61Å; M184-M383 HydrophobicContact CB-CE 3.82Å; M184-M383 HydrophobicContact CG-CE 3.79Å
185A97.5Very high96.3Very high40 Ų4044.8 Ų44.833%0.33125%0.246SC..Hα-helixtrans-65.4-41.4177.400000112.4I181 K182 R183 I187 G188 E189 I382I181-A185 PolarHBondContact O-N 3.22Å; K182-A185 PolarHBondContact O-N 2.92Å; R183-A185 VanDerWaalsContact C-N 3.33Å; R183-A185 PolarHBondContact O-N 3.19Å; A185-I187 VanDerWaalsContact C-N 3.33Å; A185-I187 PolarHBondContact O-N 3.46Å; A185-G188 PolarHBondContact O-N 3.19Å; A185-E189 WeakPolarHBondContact O-CG 3.47Å; A185-E189 PolarHBondContact O-N 3.29Å; A185-I382 HydrophobicContact CB-CG2 4.37Å
186E97Very high96.6Very high66 Ų6642.1 Ų42.131%0.30822%0.218SC..Hα-helixtrans-58.4-44.7173.3-69.3172.4-18000111.4K182 R183 G188 E189 E190K182-E186 WeakPolarHBondContact CE-OE1 3.18Å; K182-E186 IonicContact NZ-OE1 3.7Å; K182-E186 WeakPolarHBondContact O-CG 3.42Å; K182-E186 PolarHBondContact O-N 2.84Å; R183-E186 WeakPolarHBondContact CD-OE2 3.41Å; R183-E186 IonicContact CZ-OE2 2.72Å; R183-E186 IonicContact NH1-OE2 3.87Å; R183-E186 PolarHBondContact NH1-OE2 3.4Å; R183-E186 PolarHBondContact O-N 3.37Å; E186-G188 VanDerWaalsContact C-N 3.35Å; E186-G188 PolarHBondContact O-N 3.12Å; E186-E189 PolarHBondContact O-N 3.45Å; E186-E190 WeakPolarHBondContact O-CB 3.36Å; E186-E190 VanDerWaalsContact O-CG 3.3Å; E186-E190 WeakPolarHBondContact O-CG 3.42Å; E186-E190 PolarHBondContact O-N 3.22Å
187I97.3Very high96.8Very high1 Ų137.7 Ų37.71%0.00520%0.198CC..Hα-helixtrans-61.8-43.1176.7-68157.6000111F140 C153 A160 V162 R183 M184 A185 E189 E190 G191 V192 M383F140-I187 HydrophobicContact CB-CD1 4.13Å; F140-I187 HydrophobicContact CD1-CD1 3.68Å; F140-I187 HydrophobicContact CE1-CD1 4.38Å; F140-I187 HydrophobicContact CG-CD1 4.1Å; C153-I187 VanDerWaalsContact SG-CD1 3.55Å; A160-I187 HydrophobicContact CB-CG2 4.45Å; V162-I187 HydrophobicContact CG2-CG2 3.94Å; R183-I187 HydrophobicContact CG-CD1 4.01Å; R183-I187 WeakPolarHBondContact O-CD1 3.29Å; R183-I187 VanDerWaalsContact O-CG1 3.28Å; R183-I187 WeakPolarHBondContact O-CG1 3.44Å; R183-I187 PolarHBondContact O-N 3.23Å; M184-I187 PolarHBondContact O-N 2.91Å; A185-I187 VanDerWaalsContact C-N 3.33Å; A185-I187 PolarHBondContact O-N 3.46Å; I187-E189 VanDerWaalsContact C-N 3.34Å; I187-E189 PolarHBondContact O-N 3.42Å; I187-E190 PolarHBondContact O-N 2.87Å; I187-G191 PolarHBondContact O-N 2.82Å; I187-V192 HydrophobicContact CG2-CG2 3.8Å; I187-M383 HydrophobicContact CG2-SD 4.09Å
188G97.8Very high97Very high9 Ų936.5 Ų36.59%0.09319%0.193CC..Hα-helixtrans-63.5-3617600000113.6M184 A185 E186 G191M184-G188 PolarHBondContact O-N 2.67Å; A185-G188 PolarHBondContact O-N 3.19Å; E186-G188 VanDerWaalsContact C-N 3.35Å; E186-G188 PolarHBondContact O-N 3.12Å; G188-G191 PolarHBondContact O-N 2.85Å
189E96.8Very high97.2Very high167 Ų16735.1 Ų35.178%0.7818%0.181SC*.Hα-helixtrans-73-36.7174.7-74.3-175178.200113A185 E186 I187 G191A185-E189 WeakPolarHBondContact O-CG 3.47Å; A185-E189 PolarHBondContact O-N 3.29Å; E186-E189 PolarHBondContact O-N 3.45Å; I187-E189 VanDerWaalsContact C-N 3.34Å; I187-E189 PolarHBondContact O-N 3.42Å; E189-G191 PolarHBondContact O-N 2.98Å
190E95.9Very high97.3Very high112 Ų11235 Ų3552%0.52318%0.18SC..Hα-helixtrans-65.3-27173.7-73.9174.4-165.100112.1R183 E186 I187R183-E190 IonicContact NH1-OE1 2.8Å; E186-E190 WeakPolarHBondContact O-CB 3.36Å; E186-E190 VanDerWaalsContact O-CG 3.3Å; E186-E190 WeakPolarHBondContact O-CG 3.42Å; E186-E190 PolarHBondContact O-N 3.22Å; I187-E190 PolarHBondContact O-N 2.87Å
191G96.9Very high97.3Very high28 Ų2835 Ų3529%0.28918%0.179SC..  trans108.4124174.700000112.9G159 A160 I187 G188 E189G159-G191 CarbonylContact C-O 3.54Å; G159-G191 VanDerWaalsContact CA-O 3.23Å; G159-G191 WeakPolarHBondContact CA-O 3.32Å; A160-G191 PolarHBondContact N-O 2.9Å; I187-G191 PolarHBondContact O-N 2.82Å; G188-G191 PolarHBondContact O-N 2.85Å; E189-G191 PolarHBondContact O-N 2.98Å
192V98.6Very high97.4Very high6 Ų632.4 Ų32.44%0.03617%0.166CC..EExtended strand (participates in β ladder)trans-104.5116.5177.1176.80000109.7A160 V162 I187 V194 L195 M383 P385 E386A160-V192 CarbonylContact O-C 3.56Å; V162-V192 HydrophobicContact CB-CG1 4.24Å; V162-V192 HydrophobicContact CG2-CB 4.5Å; V162-V192 HydrophobicContact CG2-CG1 3.85Å; V162-V192 HydrophobicContact CG2-CG2 3.9Å; I187-V192 HydrophobicContact CG2-CG2 3.8Å; V192-V194 WeakPolarHBondContact CG1-O 3.46Å; V192-L195 HydrophobicContact CG1-CB 4.25Å; V192-M383 WeakPolarHBondContact CB-O 3.48Å; V192-M383 HydrophobicContact CG2-CB 4.21Å; V192-M383 WeakPolarHBondContact CG2-O 3.5Å; V192-M383 HydrophobicContact CG2-SD 4.23Å; V192-P385 HydrophobicContact CB-CB 4.44Å; V192-P385 HydrophobicContact CG1-CB 3.88Å; V192-P385 WeakPolarHBondContact O-CA 3.43Å; V192-E386 PolarHBondContact O-N 3.4Å
193F98.2Very high97.4Very high3 Ų329.8 Ų29.81%0.01316%0.156CC..EExtended strand (participates in β ladder)trans-76.5-47.6178.5-174.7-130.5000111.2I11 A160 I161 Y387 Y426 M431I11-F193 HydrophobicContact CD1-CD1 4.23Å; I11-F193 HydrophobicContact CD1-CE1 3.97Å; A160-F193 PolarHBondContact O-N 2.82Å; I161-F193 HydrophobicContact CG1-CD1 4.45Å; F193-Y387 HydrophobicContact CD2-CD2 4.18Å; F193-Y387 HydrophobicContact CD2-CE2 4.35Å; F193-Y387 AromaticContact CE2-CD2 3.79Å; F193-Y387 HydrophobicContact CE2-CD2 3.79Å; F193-Y387 AromaticContact CE2-CE2 3.58Å; F193-Y387 HydrophobicContact CE2-CE2 3.58Å; F193-Y387 HydrophobicContact CZ-CD2 4.14Å; F193-Y387 AromaticContact CZ-CE2 3.94Å; F193-Y387 HydrophobicContact CZ-CE2 3.94Å; F193-Y387 PolarHBondContact O-N 2.81Å; F193-Y426 HydrophobicContact CE1-CD2 4.37Å; F193-Y426 HydrophobicContact CE2-CE2 4.45Å; F193-Y426 AromaticContact CZ-CD2 3.72Å; F193-Y426 HydrophobicContact CZ-CD2 3.72Å; F193-Y426 AromaticContact CZ-CE2 3.78Å; F193-Y426 HydrophobicContact CZ-CE2 3.78Å; F193-Y426 HydrophobicContact CZ-CG 4.44Å; F193-M431 HydrophobicContact CE1-CG 4.36Å; F193-M431 HydrophobicContact CE1-SD 3.85Å; F193-M431 HydrophobicContact CZ-CG 4.03Å; F193-M431 HydrophobicContact CZ-SD 3.96Å
194V98.8Very high97.3Very high0 Ų031.8 Ų31.80%017%0.166CC..EExtended strand (participates in β ladder)trans-136.4132.9178.4-1730000109.2I13 A160 I161 V162 V192 I196 Y387 I389I13-V194 HydrophobicContact CD1-CB 4.16Å; I13-V194 HydrophobicContact CD1-CG1 3.79Å; I13-V194 HydrophobicContact CD1-CG2 4Å; A160-V194 PolarHBondContact O-N 3.06Å; I161-V194 WeakPolarHBondContact CA-O 3.4Å; I161-V194 HydrophobicContact CG1-CB 4.39Å; I161-V194 HydrophobicContact CG1-CG2 4.36Å; I161-V194 HydrophobicContact CG2-CB 4.28Å; V162-V194 PolarHBondContact N-O 2.92Å; V192-V194 WeakPolarHBondContact CG1-O 3.46Å; V194-I196 HydrophobicContact CG1-CG1 4.25Å; V194-Y387 CarbonylContact C-O 3.59Å; V194-Y387 WeakPolarHBondContact CA-O 3.28Å; V194-I389 HydrophobicContact CG1-CD1 3.5Å; V194-I389 HydrophobicContact CG1-CG1 3.88Å
195L98.9Very high97.1Very high0 Ų036.2 Ų36.20%020%0.195CC..EExtended strand (participates in β ladder)trans-109.7118.3168.1-18066.9000110V162 T164 V192 M379 I380 M383 P385 Y387 F388 I389V162-L195 HydrophobicContact CB-CD1 3.9Å; V162-L195 HydrophobicContact CG1-CD1 3.72Å; T164-L195 HydrophobicContact CG2-CD1 3.69Å; V192-L195 HydrophobicContact CG1-CB 4.25Å; L195-M379 HydrophobicContact CD2-CG 4.49Å; L195-I380 HydrophobicContact CD2-CG1 4.22Å; L195-M383 HydrophobicContact CD1-CB 4.46Å; L195-M383 HydrophobicContact CD1-CG 4.15Å; L195-M383 HydrophobicContact CD2-CB 4.07Å; L195-M383 HydrophobicContact CD2-CG 4.31Å; L195-P385 HydrophobicContact CB-CB 3.54Å; L195-P385 HydrophobicContact CB-CG 3.82Å; L195-P385 HydrophobicContact CD2-CG 4Å; L195-Y387 PolarHBondContact N-O 2.9Å; L195-F388 HydrophobicContact CB-CD2 4.09Å; L195-F388 HydrophobicContact CD2-CD2 4.02Å; L195-F388 HydrophobicContact CD2-CE2 3.88Å; L195-F388 HydrophobicContact CG-CD2 4.19Å; L195-F388 HydrophobicContact CG-CE2 4.16Å; L195-I389 PolarHBondContact O-N 3.31Å
196I98.9Very high97Very high2 Ų235.6 Ų35.61%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-99.7110173.4-54.8171000106.6I13 V29 L38 I161 V162 Y163 T164 V194 I389 V391I13-I196 HydrophobicContact CD1-CD1 4.49Å; I13-I196 HydrophobicContact CG2-CD1 4.09Å; V29-I196 HydrophobicContact CG2-CD1 4.45Å; L38-I196 HydrophobicContact CD1-CD1 4.46Å; I161-I196 HydrophobicContact CG2-CD1 4.12Å; V162-I196 PolarHBondContact O-N 2.88Å; Y163-I196 HydrophobicContact CD2-CB 4.02Å; Y163-I196 HydrophobicContact CD2-CG2 3.71Å; Y163-I196 HydrophobicContact CE2-CG2 4.26Å; T164-I196 PolarHBondContact N-O 3.47Å; T164-I196 PolarHBondContact OG1-O 3.19Å; V194-I196 HydrophobicContact CG1-CG1 4.25Å; I196-I389 WeakPolarHBondContact CA-O 3.48Å; I196-I389 HydrophobicContact CG1-CB 4.41Å; I196-I389 HydrophobicContact CG1-CD1 4.17Å; I196-V391 HydrophobicContact CG2-CB 4.26Å; I196-V391 HydrophobicContact CG2-CG1 3.6Å; I196-V391 HydrophobicContact CG2-CG2 3.59Å
197S98.7Very high96.9Very high0 Ų039.7 Ų39.70%021%0.205CC..EExtended strand (participates in β ladder)trans-127.6139.3-166.2-1630000114.2T164 S199 I389 V391 H401T164-S197 WeakPolarHBondContact OG1-CA 3.47Å; S197-S199 PolarHBondContact O-OG 3.02Å; S197-I389 PolarHBondContact N-O 2.65Å; S197-V391 PolarHBondContact O-N 2.79Å; S197-V391 VanDerWaalsContact O-O 3.14Å; S197-H401 PolarHBondContact OG-CE1 3.42Å
198D98Very high96.7Very high2 Ų240.2 Ų40.21%0.01121%0.208CC..EExtended strand (participates in β ladder)trans-57.3131.3172.2176.311.2000112.2T164 F167 T200 H370 L376 V391 H401T164-D198 PolarHBondContact OG1-N 3.04Å; F167-D198 HydrophobicContact CD1-CB 4.28Å; F167-D198 HydrophobicContact CE1-CB 4.29Å; D198-T200 WeakPolarHBondContact OD1-CB 3.41Å; D198-T200 PolarHBondContact OD1-N 2.71Å; D198-T200 PolarHBondContact OD1-OG1 3.45Å; D198-H370 IonicContact OD1-ND1 3.74Å; D198-H370 IonicContact OD2-CE1 2.85Å; D198-H370 IonicContact OD2-CG 3.85Å; D198-H370 IonicContact OD2-ND1 3.52Å; D198-H370 PolarHBondContact OD2-ND1 2.54Å; D198-L376 WeakPolarHBondContact O-CD2 3.27Å; D198-V391 CarbonylContact C-O 3.58Å; D198-H401 PolarHBondContact O-CE1 3Å; D198-H401 PolarHBondContact O-ND1 3.14Å; D198-H401 VanDerWaalsContact O-ND1 3.16Å
199S98.1Very high96.5Very high0 Ų040.9 Ų40.90%021%0.211CC..  trans-116.21.8-174.1-48.30000113.6S197 E201 A202 P390 V391 Q392 M397 H401S197-S199 PolarHBondContact O-OG 3.02Å; S199-E201 VanDerWaalsContact C-N 3.27Å; S199-E201 PolarHBondContact O-N 3.37Å; S199-E201 VanDerWaalsContact O-N 3.09Å; S199-A202 WeakPolarHBondContact O-CB 3.25Å; S199-A202 PolarHBondContact O-N 3.1Å; S199-P390 WeakPolarHBondContact OG-CB 3.44Å; S199-V391 WeakPolarHBondContact CB-O 3.33Å; S199-V391 PolarHBondContact N-O 2.83Å; S199-V391 PolarHBondContact OG-N 2.86Å; S199-V391 PolarHBondContact OG-O 3.46Å; S199-Q392 CarbonylContact C-O 3.58Å; S199-Q392 PolarHBondContact N-O 2.83Å; S199-M397 WeakPolarHBondContact O-CB 3.4Å; S199-H401 WeakPolarHBondContact CA-ND1 3.22Å; S199-H401 PolarHBondContact OG-ND1 3.33Å
200T95.3Very high96.4Very high17 Ų1735.5 Ų35.510%0.10419%0.19CC..THydrogen-bonded Turntrans-51.5-41.5-166.4-55.70000113.6D198 H370 Q392D198-T200 WeakPolarHBondContact OD1-CB 3.41Å; D198-T200 PolarHBondContact OD1-N 2.71Å; D198-T200 PolarHBondContact OD1-OG1 3.45Å; T200-H370 HydrophobicContact CG2-CB 4.34Å; T200-H370 PolarHBondContact OG1-ND1 2.62Å; T200-Q392 PolarHBondContact N-O 3.14Å; T200-Q392 VanDerWaalsContact N-O 3.08Å; T200-Q392 PolarHBondContact OG1-O 3.31Å
201E95.4Very high96.4Very high39 Ų3930.3 Ų30.318%0.18217%0.166CC..THydrogen-bonded Turntrans-111.525.2-178.7-68.3-77.7-173.200112.7S199 E203 K204 H366 S368 H370 G371S199-E201 VanDerWaalsContact C-N 3.27Å; S199-E201 PolarHBondContact O-N 3.37Å; S199-E201 VanDerWaalsContact O-N 3.09Å; E201-E203 PolarHBondContact O-N 3.33Å; E201-E203 VanDerWaalsContact O-N 3.15Å; E201-K204 HydrophobicContact CB-CB 4.22Å; E201-K204 WeakPolarHBondContact O-CB 3.35Å; E201-K204 PolarHBondContact O-N 3.34Å; E201-K204 WeakPolarHBondContact OE2-CB 3.1Å; E201-H366 IonicContact OE1-CE1 2.78Å; E201-H366 PolarHBondContact OE1-CE1 2.79Å; E201-H366 IonicContact OE1-NE2 3.42Å; E201-H366 IonicContact OE2-CE1 3.92Å; E201-H366 IonicContact OE2-NE2 2.79Å; E201-S368 VanDerWaalsContact CG-OG 3.32Å; E201-S368 WeakPolarHBondContact CG-OG 3.48Å; E201-S368 WeakPolarHBondContact OE1-CB 3.2Å; E201-S368 PolarHBondContact OE1-OG 2.88Å; E201-H370 HydrophobicContact CB-CB 4.31Å; E201-H370 HydrophobicContact CG-CB 3.83Å; E201-G371 WeakPolarHBondContact CB-O 3.27Å
202A97.3Very high96.3Very high0 Ų032.6 Ų32.60%017%0.171CC..THydrogen-bonded Turntrans-65-18.2-179.400000114S199 M373 L376 M397 A400 H401 L404S199-A202 WeakPolarHBondContact O-CB 3.25Å; S199-A202 PolarHBondContact O-N 3.1Å; A202-M373 WeakPolarHBondContact O-CE 3.23Å; A202-M373 VanDerWaalsContact O-CG 3.32Å; A202-M373 WeakPolarHBondContact O-CG 3.16Å; A202-L376 HydrophobicContact CB-CD1 3.67Å; A202-M397 WeakPolarHBondContact CB-O 3.37Å; A202-A400 HydrophobicContact CB-CB 4Å; A202-H401 HydrophobicContact CB-CB 3.65Å; A202-L404 HydrophobicContact CB-CD1 4.27Å
203E95.5Very high96.1Very high95 Ų9535 Ų3544%0.44419%0.186SC..THydrogen-bonded Turntrans-86.1-8.1173.5-63.7-173.3105.300113E201 P205 K396 A400E201-E203 PolarHBondContact O-N 3.33Å; E201-E203 VanDerWaalsContact O-N 3.15Å; E203-P205 WeakPolarHBondContact O-CD 3.43Å; E203-K396 WeakPolarHBondContact OE2-CD 3.39Å; E203-K396 WeakPolarHBondContact OE2-CE 3.46Å; E203-A400 HydrophobicContact CG-CB 3.76Å
204K94.3Very high95.9Very high80 Ų8035.1 Ų35.135%0.34819%0.187SC..SBendtrans-90.5115.9-175.8-168.874.5-179-176.40111.8E201 C372 M373E201-K204 HydrophobicContact CB-CB 4.22Å; E201-K204 WeakPolarHBondContact O-CB 3.35Å; E201-K204 PolarHBondContact O-N 3.34Å; E201-K204 WeakPolarHBondContact OE2-CB 3.1Å; K204-C372 HydrophobicContact CB-CB 4.27Å; K204-C372 HydrophobicContact CG-CB 4.34Å; K204-C372 VanDerWaalsContact CG-SG 3.58Å; K204-C372 WeakPolarHBondContact O-CB 3.2Å; K204-M373 WeakPolarHBondContact O-CB 3.37Å; K204-M373 WeakPolarHBondContact O-CG 3.33Å; K204-M373 PolarHBondContact O-N 3.21Å
205P94.8Very high95.7Very high94 Ų9436.5 Ų36.561%0.6119%0.193SC*.  trans-71.5150-17929.8-35.3000112.4E203 M373E203-P205 WeakPolarHBondContact O-CD 3.43Å; P205-M373 HydrophobicContact CB-SD 4.15Å
206G94.5Very high95.5Very high26 Ų2642.4 Ų42.427%0.26822%0.221SC..SBendtrans79.5-135.2174.700000112.9C372 E374G206-C372 VanDerWaalsContact O-CB 3.22Å; G206-C372 WeakPolarHBondContact O-CB 3.41Å; G206-E374 WeakPolarHBondContact O-CB 3.42Å; G206-E374 WeakPolarHBondContact O-CG 3.12Å; G206-E374 PolarHBondContact O-N 3.19Å; G206-E374 VanDerWaalsContact O-N 3.09Å
207Y94.2Very high95.3Very high152 Ų15245.9 Ų45.960%0.59624%0.237SC*.  trans-126.4155.2-172.9-61.7-90.6000110.7E374 E375Y207-E374 HydrophobicContact CD1-CB 3.89Å; Y207-E374 HydrophobicContact CD2-CB 4.18Å; Y207-E374 HydrophobicContact CD2-CG 4.22Å; Y207-E374 HydrophobicContact CE1-CB 3.42Å; Y207-E374 VanDerWaalsContact CE1-CB 3.42Å; Y207-E374 HydrophobicContact CE1-CG 4.35Å; Y207-E374 HydrophobicContact CE2-CB 3.73Å; Y207-E374 HydrophobicContact CE2-CG 3.72Å; Y207-E374 HydrophobicContact CG-CB 4.24Å; Y207-E375 HydrophobicContact CD1-CG 3.88Å
208N93.8Very high95.1Very high12 Ų1246 Ų466%0.06424%0.238CC..PPolyproline II helixtrans-56.6149.1160.5-85-72.9000112.1P210 H366 S368 H370 E375N208-P210 WeakPolarHBondContact O-CD 3.49Å; N208-H366 PolarHBondContact OD1-CD2 3.3Å; N208-S368 WeakPolarHBondContact OD1-CA 3.42Å; N208-S368 VanDerWaalsContact OD1-CB 3.28Å; N208-S368 WeakPolarHBondContact OD1-CB 3.28Å; N208-S368 PolarHBondContact OD1-N 3.44Å; N208-S368 PolarHBondContact OD1-O 3.37Å; N208-H370 PolarHBondContact ND2-O 3.14Å; N208-E375 WeakPolarHBondContact CB-OE2 2.98Å; N208-E375 PolarHBondContact N-OE2 3.19Å; N208-E375 PolarHBondContact ND2-OE2 3.01Å
209T94.3Very high95Very high24 Ų2449.8 Ų49.815%0.14725%0.252CS..PPolyproline II helixtrans-70.2128.4167.4-53.80000108.5V213 I214 I365 H366T209-V213 HydrophobicContact CG2-CB 4.01Å; T209-V213 HydrophobicContact CG2-CG1 3.87Å; T209-I214 HydrophobicContact CG2-CD1 4.48Å; T209-I214 HydrophobicContact CG2-CG1 3.94Å; T209-I214 VanDerWaalsContact O-CD1 3.31Å; T209-I214 WeakPolarHBondContact O-CD1 3.44Å; T209-I365 HydrophobicContact CG2-CG2 4.13Å; T209-H366 VanDerWaalsContact CB-O 3.26Å; T209-H366 WeakPolarHBondContact CB-O 3.14Å; T209-H366 PolarHBondContact N-O 2.84Å; T209-H366 PolarHBondContact OG1-N 2.95Å; T209-H366 PolarHBondContact OG1-O 3.22Å; T209-H366 VanDerWaalsContact OG1-O 3.12Å
210P94.8Very high94.9Very high54 Ų5453.9 Ų53.935%0.35127%0.274SS..PPolyproline II helixtrans-58.3142.3177-27.536.7000112.7D170 N208 N212 V213 I214D170-P210 WeakPolarHBondContact OD2-CA 3.47Å; N208-P210 WeakPolarHBondContact O-CD 3.49Å; P210-N212 VanDerWaalsContact C-N 3.28Å; P210-N212 VanDerWaalsContact CB-OD1 3.23Å; P210-N212 WeakPolarHBondContact CB-OD1 3.32Å; P210-N212 PolarHBondContact O-N 3.41Å; P210-V213 HydrophobicContact CB-CG2 4.27Å; P210-V213 WeakPolarHBondContact O-CB 3.32Å; P210-V213 PolarHBondContact O-N 3.29Å; P210-I214 PolarHBondContact O-N 3.19Å; P210-I214 VanDerWaalsContact O-N 3.1Å
211E94.7Very high94.8Very high3 Ų354 Ų541%0.01428%0.277CS..Hα-helixtrans-62.1-33.4-176.3-72.2-65.7175.100112.6K168 D170 L173 V213 I214 E215 I239 R240 Q243K168-E211 IonicContact NZ-OE1 2.67Å; K168-E211 PolarHBondContact NZ-OE1 2.72Å; D170-E211 WeakPolarHBondContact OD2-CB 3.19Å; D170-E211 WeakPolarHBondContact OD2-CG 3.38Å; D170-E211 PolarHBondContact OD2-N 3.14Å; L173-E211 HydrophobicContact CD1-CG 4.12Å; L173-E211 HydrophobicContact CD2-CB 3.93Å; L173-E211 HydrophobicContact CD2-CG 4.25Å; L173-E211 HydrophobicContact CG-CB 4.33Å; L173-E211 HydrophobicContact CG-CG 4.4Å; E211-V213 PolarHBondContact O-N 2.98Å; E211-I214 PolarHBondContact O-N 3.39Å; E211-I214 WeakPolarHBondContact OE2-CD1 3.21Å; E211-E215 PolarHBondContact O-N 2.85Å; E211-I239 HydrophobicContact CB-CG2 4.13Å; E211-I239 HydrophobicContact CG-CD1 4.35Å; E211-I239 HydrophobicContact CG-CG2 3.8Å; E211-R240 IonicContact OE2-NH2 3.33Å; E211-Q243 PolarHBondContact O-NE2 3.25Å; E211-Q243 PolarHBondContact OE2-NE2 2.79Å
212N94.8Very high94.9Very high75 Ų7552.2 Ų52.240%0.40127%0.268SS..Hα-helixtrans-63.1-40.2172.468-20000112.3S172 P210 I214 E215 H216S172-N212 VanDerWaalsContact CB-CG 3.43Å; S172-N212 PolarHBondContact OG-N 3.2Å; P210-N212 VanDerWaalsContact C-N 3.28Å; P210-N212 VanDerWaalsContact CB-OD1 3.23Å; P210-N212 WeakPolarHBondContact CB-OD1 3.32Å; P210-N212 PolarHBondContact O-N 3.41Å; N212-I214 VanDerWaalsContact C-N 3.32Å; N212-E215 PolarHBondContact O-N 2.78Å; N212-H216 PolarHBondContact O-N 2.78Å; N212-H216 VanDerWaalsContact O-N 3.14Å; N212-H216 PolarHBondContact O-ND1 3.06Å
213V95.1Very high94.8Very high57 Ų5754.7 Ų54.735%0.34529%0.289SS..Hα-helixtrans-65.5-39.9176.8176.40000110.2T209 P210 E211 H216 H217T209-V213 HydrophobicContact CG2-CB 4.01Å; T209-V213 HydrophobicContact CG2-CG1 3.87Å; P210-V213 HydrophobicContact CB-CG2 4.27Å; P210-V213 WeakPolarHBondContact O-CB 3.32Å; P210-V213 PolarHBondContact O-N 3.29Å; E211-V213 PolarHBondContact O-N 2.98Å; V213-H216 PolarHBondContact O-N 2.79Å; V213-H217 PolarHBondContact O-CD2 3.08Å; V213-H217 PolarHBondContact O-N 2.95Å; V213-H217 VanDerWaalsContact O-N 3.14Å
214I93.8Very high94.8Very high6 Ų658 Ų583%0.03130%0.302CS..Hα-helixtrans-60.8-46.1174.8-63.1160.1000111T209 P210 E211 N212 H216 H217 M218 I365 A367T209-I214 HydrophobicContact CG2-CD1 4.48Å; T209-I214 HydrophobicContact CG2-CG1 3.94Å; T209-I214 VanDerWaalsContact O-CD1 3.31Å; T209-I214 WeakPolarHBondContact O-CD1 3.44Å; P210-I214 PolarHBondContact O-N 3.19Å; P210-I214 VanDerWaalsContact O-N 3.1Å; E211-I214 PolarHBondContact O-N 3.39Å; E211-I214 WeakPolarHBondContact OE2-CD1 3.21Å; N212-I214 VanDerWaalsContact C-N 3.32Å; I214-H216 VanDerWaalsContact C-N 3.32Å; I214-H216 PolarHBondContact O-N 3.35Å; I214-H217 PolarHBondContact O-N 3.18Å; I214-M218 HydrophobicContact CG2-CG 4.45Å; I214-M218 HydrophobicContact CG2-SD 4.02Å; I214-M218 WeakPolarHBondContact O-CG 3.43Å; I214-M218 PolarHBondContact O-N 2.88Å; I214-I365 HydrophobicContact CD1-CG2 4.47Å; I214-I365 HydrophobicContact CG1-CG2 3.77Å; I214-A367 HydrophobicContact CD1-CB 3.33Å; I214-A367 HydrophobicContact CG1-CB 4.09Å
215E95Very high94.9Very high28 Ų2855 Ų5513%0.13129%0.29CS..Hα-helixtrans-57.8-43.5177-169.7-177140.700111.7E211 N212 H217 M218 Y219 Q243 N246 I247 K250E211-E215 PolarHBondContact O-N 2.85Å; N212-E215 PolarHBondContact O-N 2.78Å; E215-H217 PolarHBondContact O-N 2.86Å; E215-M218 PolarHBondContact O-N 2.68Å; E215-Y219 WeakPolarHBondContact O-CB 3.38Å; E215-Y219 PolarHBondContact O-N 3.2Å; E215-Q243 HydrophobicContact CB-CB 4.42Å; E215-Q243 HydrophobicContact CB-CG 4.01Å; E215-Q243 HydrophobicContact CG-CB 4.11Å; E215-Q243 HydrophobicContact CG-CG 4.1Å; E215-N246 PolarHBondContact OE2-ND2 3.43Å; E215-I247 HydrophobicContact CG-CD1 3.96Å; E215-I247 HydrophobicContact CG-CG1 4Å; E215-K250 IonicContact OE1-NZ 3.69Å; E215-K250 PolarHBondContact OE1-NZ 3.24Å
216H95Very high94.9Very high124 Ų12461.5 Ų61.557%0.57430%0.302SS*.Hα-helixtrans-62.2-43.5178.6-74.784.1000112N212 V213 I214 M218 Y219 D220N212-H216 PolarHBondContact O-N 2.78Å; N212-H216 VanDerWaalsContact O-N 3.14Å; N212-H216 PolarHBondContact O-ND1 3.06Å; V213-H216 PolarHBondContact O-N 2.79Å; I214-H216 VanDerWaalsContact C-N 3.32Å; I214-H216 PolarHBondContact O-N 3.35Å; H216-M218 PolarHBondContact O-N 2.69Å; H216-Y219 WeakPolarHBondContact O-CB 3.42Å; H216-Y219 PolarHBondContact O-N 3.39Å; H216-D220 PolarHBondContact O-N 3.06Å
217H93.8Very high94.9Very high76 Ų7660.7 Ų60.735%0.35229%0.294SS..Hα-helixtrans-65-39.4176.9-78.5-65000112.7V213 I214 E215 A221 I365V213-H217 PolarHBondContact O-CD2 3.08Å; V213-H217 PolarHBondContact O-N 2.95Å; V213-H217 VanDerWaalsContact O-N 3.14Å; I214-H217 PolarHBondContact O-N 3.18Å; E215-H217 PolarHBondContact O-N 2.86Å; H217-A221 WeakPolarHBondContact O-CB 3.43Å; H217-A221 PolarHBondContact O-N 2.87Å; H217-A221 VanDerWaalsContact O-N 3.14Å; H217-I365 HydrophobicContact CB-CD1 3.62Å; H217-I365 WeakPolarHBondContact CD2-CD1 3.35Å; H217-I365 VanDerWaalsContact CG-CD1 3.45Å
218M95.1Very high95Very high3 Ų353.8 Ų53.82%0.01527%0.267CS..Hα-helixtrans-64.1-42.6174.1-71.8176.958.100111.4I214 E215 H216 D220 A221 F222 R240 V244 I247 F331I214-M218 HydrophobicContact CG2-CG 4.45Å; I214-M218 HydrophobicContact CG2-SD 4.02Å; I214-M218 WeakPolarHBondContact O-CG 3.43Å; I214-M218 PolarHBondContact O-N 2.88Å; E215-M218 PolarHBondContact O-N 2.68Å; H216-M218 PolarHBondContact O-N 2.69Å; M218-D220 PolarHBondContact O-N 3.48Å; M218-A221 PolarHBondContact O-N 2.93Å; M218-F222 HydrophobicContact CB-CZ 4.46Å; M218-F222 HydrophobicContact CE-CE2 3.94Å; M218-F222 HydrophobicContact CE-CZ 3.73Å; M218-F222 WeakPolarHBondContact O-CB 3.42Å; M218-F222 VanDerWaalsContact O-CD1 3.27Å; M218-F222 WeakPolarHBondContact O-CD1 3.28Å; M218-F222 WeakPolarHBondContact O-CG 3.46Å; M218-F222 PolarHBondContact O-N 3.15Å; M218-R240 WeakPolarHBondContact SD-CD 3.29Å; M218-V244 HydrophobicContact CE-CG2 3.63Å; M218-I247 HydrophobicContact CB-CD1 3.51Å; M218-I247 HydrophobicContact CE-CD1 4.27Å; M218-F331 HydrophobicContact CE-CE1 4.07Å; M218-F331 HydrophobicContact CG-CE1 3.8Å; M218-F331 HydrophobicContact CG-CZ 3.82Å; M218-F331 HydrophobicContact SD-CE1 4.15Å
219Y96.3Very high95.2Very high81 Ų8153.2 Ų53.232%0.31826%0.264SS..Hα-helixtrans-56.4-50.9175.7178-91.2000111.6E215 H216 A221 F222 A223 I247 K250 L251E215-Y219 WeakPolarHBondContact O-CB 3.38Å; E215-Y219 PolarHBondContact O-N 3.2Å; H216-Y219 WeakPolarHBondContact O-CB 3.42Å; H216-Y219 PolarHBondContact O-N 3.39Å; Y219-A221 PolarHBondContact O-N 3.12Å; Y219-F222 PolarHBondContact O-N 2.83Å; Y219-A223 WeakPolarHBondContact O-CB 3.45Å; Y219-A223 PolarHBondContact O-N 3.36Å; Y219-I247 HydrophobicContact CD2-CG1 4.39Å; Y219-I247 HydrophobicContact CD2-CG2 3.99Å; Y219-K250 HydrophobicContact CD2-CB 4.41Å; Y219-K250 HydrophobicContact CD2-CD 4.19Å; Y219-K250 HydrophobicContact CE2-CB 3.81Å; Y219-K250 HydrophobicContact CE2-CD 4.16Å; Y219-L251 HydrophobicContact CD2-CD2 4.44Å; Y219-L251 HydrophobicContact CD2-CG 4.45Å; Y219-L251 HydrophobicContact CE2-CD2 3.67Å; Y219-L251 HydrophobicContact CE2-CG 4.01Å
220D94.7Very high95.4Very high85 Ų8552 Ų5246%0.45526%0.257SS..Hα-helixtrans-61.5-33179.9-74.2-16.6000112.9H216 M218 K224H216-D220 PolarHBondContact O-N 3.06Å; M218-D220 PolarHBondContact O-N 3.48Å; D220-K224 WeakPolarHBondContact O-CD 3.5Å; D220-K224 VanDerWaalsContact O-CE 3.23Å; D220-K224 WeakPolarHBondContact O-CE 3.27Å
221A94.1Very high95.5Very high20 Ų2049.5 Ų49.517%0.16524%0.24CC..Hα-helixtrans-73.1-45.9176.200000111.2H217 M218 Y219 K224 I359H217-A221 WeakPolarHBondContact O-CB 3.43Å; H217-A221 PolarHBondContact O-N 2.87Å; H217-A221 VanDerWaalsContact O-N 3.14Å; M218-A221 PolarHBondContact O-N 2.93Å; Y219-A221 PolarHBondContact O-N 3.12Å; A221-K224 PolarHBondContact O-N 2.86Å; A221-I359 HydrophobicContact CB-CG2 3.81Å
222F96.7Very high95.4Very high1 Ų149.3 Ų49.30%0.00424%0.24CC..Hα-helixtrans-71.5-33.5-175.7-67.24.4000112.1M218 Y219 K224 V225 L229 V231 V244 I247 L251 I297 F331 I359M218-F222 HydrophobicContact CB-CZ 4.46Å; M218-F222 HydrophobicContact CE-CE2 3.94Å; M218-F222 HydrophobicContact CE-CZ 3.73Å; M218-F222 WeakPolarHBondContact O-CB 3.42Å; M218-F222 VanDerWaalsContact O-CD1 3.27Å; M218-F222 WeakPolarHBondContact O-CD1 3.28Å; M218-F222 WeakPolarHBondContact O-CG 3.46Å; M218-F222 PolarHBondContact O-N 3.15Å; Y219-F222 PolarHBondContact O-N 2.83Å; F222-K224 PolarHBondContact O-N 2.97Å; F222-K224 VanDerWaalsContact O-N 3.11Å; F222-V225 WeakPolarHBondContact O-CB 3.31Å; F222-V225 PolarHBondContact O-N 3.09Å; F222-V225 VanDerWaalsContact O-N 3.08Å; F222-L229 HydrophobicContact CB-CD2 3.77Å; F222-L229 HydrophobicContact CD1-CD1 4.42Å; F222-L229 HydrophobicContact CD1-CD2 3.48Å; F222-L229 VanDerWaalsContact CD1-CD2 3.48Å; F222-L229 HydrophobicContact CD2-CD2 3.51Å; F222-L229 HydrophobicContact CE1-CD1 4.36Å; F222-L229 HydrophobicContact CE1-CD2 3.88Å; F222-L229 HydrophobicContact CE2-CD2 3.9Å; F222-L229 HydrophobicContact CG-CD2 3.3Å; F222-L229 HydrophobicContact CZ-CD2 4.08Å; F222-V231 HydrophobicContact CE1-CG2 4.31Å; F222-V231 HydrophobicContact CE2-CG2 3.85Å; F222-V231 HydrophobicContact CZ-CG1 4.36Å; F222-V231 HydrophobicContact CZ-CG2 3.51Å; F222-V244 HydrophobicContact CE2-CG2 4.38Å; F222-I247 HydrophobicContact CB-CG2 4.02Å; F222-I247 HydrophobicContact CD2-CB 4.34Å; F222-I247 HydrophobicContact CD2-CD1 4.36Å; F222-I247 HydrophobicContact CD2-CG2 3.58Å; F222-I247 HydrophobicContact CE2-CD1 4.42Å; F222-I247 HydrophobicContact CE2-CG2 4.49Å; F222-I247 HydrophobicContact CG-CG2 4.22Å; F222-L251 HydrophobicContact CB-CD1 3.69Å; F222-I297 HydrophobicContact CD2-CD1 4.42Å; F222-F331 HydrophobicContact CE1-CB 3.76Å; F222-F331 AromaticContact CE1-CD1 3.65Å; F222-F331 HydrophobicContact CE1-CD1 3.65Å; F222-F331 HydrophobicContact CE1-CD2 4.05Å; F222-F331 HydrophobicContact CE1-CE1 4.21Å; F222-F331 AromaticContact CE1-CG 3.55Å; F222-F331 HydrophobicContact CE1-CG 3.55Å; F222-F331 HydrophobicContact CZ-CB 4.28Å; F222-F331 AromaticContact CZ-CD1 3.71Å; F222-F331 HydrophobicContact CZ-CD1 3.71Å; F222-F331 HydrophobicContact CZ-CE1 4.24Å; F222-F331 HydrophobicContact CZ-CG 4.07Å; F222-I359 HydrophobicContact CD1-CD1 4.49Å
223A96.3Very high95.3Very high53 Ų5345.8 Ų45.844%0.43822%0.221SC..THydrogen-bonded Turntrans-60.4-21.5177.700000113.7Y219 L251Y219-A223 WeakPolarHBondContact O-CB 3.45Å; Y219-A223 PolarHBondContact O-N 3.36Å; A223-L251 HydrophobicContact CB-CD2 3.98Å
224K95.3Very high95Very high165 Ų16545.9 Ų45.972%0.71722%0.215SC*.THydrogen-bonded Turntrans-88.4-11.3-179.9-63.5167.4-171.2164.10113.1D220 A221 F222D220-K224 WeakPolarHBondContact O-CD 3.5Å; D220-K224 VanDerWaalsContact O-CE 3.23Å; D220-K224 WeakPolarHBondContact O-CE 3.27Å; A221-K224 PolarHBondContact O-N 2.86Å; F222-K224 PolarHBondContact O-N 2.97Å; F222-K224 VanDerWaalsContact O-N 3.11Å
225V96.6Very high94.7Very high15 Ų1545.9 Ų45.99%0.09122%0.216CC..  trans-76.2134.6-174.71790000110.6F222 L229 R253 I359F222-V225 WeakPolarHBondContact O-CB 3.31Å; F222-V225 PolarHBondContact O-N 3.09Å; F222-V225 VanDerWaalsContact O-N 3.08Å; V225-L229 HydrophobicContact CG1-CB 4.19Å; V225-L229 HydrophobicContact CG2-CD1 4.4Å; V225-R253 PolarHBondContact O-NH2 3.19Å; V225-I359 HydrophobicContact CG2-CD1 3.47Å; V225-I359 VanDerWaalsContact CG2-CD1 3.47Å
226R93.3Very high94.4Very high231 Ų23146.3 Ų46.387%0.87222%0.222SC*.  trans-109-17.3179.6-63.1-174.2-179.4176.70.2114.6N294R226-N294 VanDerWaalsContact O-CB 3.22Å; R226-N294 WeakPolarHBondContact O-CB 3.33Å
227G95.3Very high94.3Very high10 Ų1040.9 Ų40.910%0.10320%0.198CC..SBendtrans-103.9-159.4176.900000112.5R253 K293G227-R253 PolarHBondContact O-NH1 3.32Å; G227-R253 PolarHBondContact O-NH2 3Å; G227-K293 CarbonylContact C-O 3.58Å
228R97Very high94.4Very high6 Ų637.3 Ų37.32%0.02318%0.181CC..  trans-65.3142.7167.6-54.2-176.5-63.9-164.77.1108.2K293 I298 N323 E325 D328 S329R228-K293 WeakPolarHBondContact CA-O 3.49Å; R228-K293 HydrophobicContact CG-CB 3.82Å; R228-K293 HydrophobicContact CG-CD 4.42Å; R228-K293 HydrophobicContact CG-CG 4.05Å; R228-K293 PolarHBondContact N-O 3.25Å; R228-K293 VanDerWaalsContact N-O 3.14Å; R228-I298 HydrophobicContact CB-CD1 4.5Å; R228-N323 PolarHBondContact NH2-O 2.86Å; R228-E325 VanDerWaalsContact CZ-CD 3.45Å; R228-E325 IonicContact CZ-OE1 3.14Å; R228-E325 VanDerWaalsContact CZ-OE1 3.29Å; R228-E325 IonicContact CZ-OE2 3.85Å; R228-E325 IonicContact NH1-OE1 2.84Å; R228-E325 PolarHBondContact NH1-OE1 3.38Å; R228-E325 IonicContact NH1-OE2 2.69Å; R228-E325 IonicContact NH2-OE1 3.99Å; R228-E325 PolarHBondContact NH2-OE1 3.2Å; R228-E325 VanDerWaalsContact NH2-OE1 3.14Å; R228-E325 IonicContact NH2-OE2 3.95Å; R228-D328 WeakPolarHBondContact CB-OD1 3.35Å; R228-D328 IonicContact CZ-OD1 2.72Å; R228-D328 IonicContact CZ-OD2 3.55Å; R228-D328 IonicContact NE-OD1 3.99Å; R228-D328 PolarHBondContact NE-OD1 2.92Å; R228-D328 IonicContact NE-OD2 2.92Å; R228-D328 IonicContact NH2-OD1 3.9Å; R228-D328 PolarHBondContact NH2-OD1 2.93Å; R228-D328 IonicContact NH2-OD2 2.75Å; R228-D328 PolarHBondContact NH2-OD2 2.72Å; R228-S329 PolarHBondContact O-N 3.3Å
229L98Very high94.4Very high0 Ų037.4 Ų37.40%018%0.182CC..EExtended strand (participates in β ladder)trans-111.3117.5175.4172.156.1000109.3F222 V225 V231 V296 I297 I298 S329 F331 I359F222-L229 HydrophobicContact CB-CD2 3.77Å; F222-L229 HydrophobicContact CD1-CD1 4.42Å; F222-L229 HydrophobicContact CD1-CD2 3.48Å; F222-L229 VanDerWaalsContact CD1-CD2 3.48Å; F222-L229 HydrophobicContact CD2-CD2 3.51Å; F222-L229 HydrophobicContact CE1-CD1 4.36Å; F222-L229 HydrophobicContact CE1-CD2 3.88Å; F222-L229 HydrophobicContact CE2-CD2 3.9Å; F222-L229 HydrophobicContact CG-CD2 3.3Å; F222-L229 HydrophobicContact CZ-CD2 4.08Å; V225-L229 HydrophobicContact CG1-CB 4.19Å; V225-L229 HydrophobicContact CG2-CD1 4.4Å; L229-V231 HydrophobicContact CD1-CG2 4.21Å; L229-V231 HydrophobicContact CD2-CG2 4.25Å; L229-V231 HydrophobicContact CG-CG2 3.9Å; L229-V296 PolarHBondContact N-O 3.48Å; L229-I297 HydrophobicContact CB-CG1 3.98Å; L229-I297 HydrophobicContact CD2-CD1 4.11Å; L229-I297 HydrophobicContact CD2-CG1 3.95Å; L229-I297 HydrophobicContact CG-CG1 4.16Å; L229-I297 CarbonylContact O-C 3.56Å; L229-I297 VanDerWaalsContact O-CA 3.24Å; L229-I297 WeakPolarHBondContact O-CA 3.45Å; L229-I298 PolarHBondContact O-N 3.14Å; L229-S329 CarbonylContact C-O 3.59Å; L229-S329 WeakPolarHBondContact CA-O 3.44Å; L229-F331 HydrophobicContact CD1-CB 4.31Å; L229-I359 HydrophobicContact CD1-CD1 3.72Å
230I97.5Very high94.3Very high0 Ų034 Ų340%017%0.168CC..EExtended strand (participates in β ladder)trans-101116.2175.4-58.8167.5000107.5I298 A300 L311 M314 I324 D328 S329 V330 F331I230-I298 CarbonylContact C-O 3.58Å; I230-I298 WeakPolarHBondContact CA-O 3.42Å; I230-I298 HydrophobicContact CG1-CD1 4.21Å; I230-A300 HydrophobicContact CG2-CB 4.11Å; I230-L311 HydrophobicContact CG2-CD2 3.69Å; I230-M314 HydrophobicContact CG2-CE 4.07Å; I230-I324 HydrophobicContact CD1-CD1 3.43Å; I230-I324 VanDerWaalsContact CD1-CD1 3.43Å; I230-D328 HydrophobicContact CD1-CB 4.43Å; I230-S329 PolarHBondContact N-O 3.24Å; I230-V330 HydrophobicContact CB-CG2 4.25Å; I230-V330 HydrophobicContact CD1-CG2 4.49Å; I230-V330 CarbonylContact O-C 3.45Å; I230-V330 VanDerWaalsContact O-CA 3.3Å; I230-V330 WeakPolarHBondContact O-CA 3.22Å; I230-F331 PolarHBondContact O-N 3.5Å
231V96.6Very high94.4Very high0 Ų030 Ų300%015%0.146CC..EExtended strand (participates in β ladder)trans-106.9131.2177.3-176.90000108.4F222 L229 V244 I297 I298 I299 A300 F331 A333F222-V231 HydrophobicContact CE1-CG2 4.31Å; F222-V231 HydrophobicContact CE2-CG2 3.85Å; F222-V231 HydrophobicContact CZ-CG1 4.36Å; F222-V231 HydrophobicContact CZ-CG2 3.51Å; L229-V231 HydrophobicContact CD1-CG2 4.21Å; L229-V231 HydrophobicContact CD2-CG2 4.25Å; L229-V231 HydrophobicContact CG-CG2 3.9Å; V231-V244 HydrophobicContact CG1-CG2 3.87Å; V231-V244 HydrophobicContact CG2-CG1 4.44Å; V231-I297 HydrophobicContact CG2-CG2 3.94Å; V231-I298 PolarHBondContact N-O 3.23Å; V231-I299 CarbonylContact O-C 3.59Å; V231-I299 VanDerWaalsContact O-CA 3.27Å; V231-I299 WeakPolarHBondContact O-CA 3.5Å; V231-A300 PolarHBondContact O-N 2.87Å; V231-F331 WeakPolarHBondContact CA-O 3.29Å; V231-F331 HydrophobicContact CG1-CD1 4.25Å; V231-A333 HydrophobicContact CG1-CB 4.01Å
232S93.9Very high94.5Very high0 Ų030.4 Ų30.40%015%0.145CC..EExtended strand (participates in β ladder)trans-115.6134.5173.7157.90000110.3P307 F331 A333S232-P307 WeakPolarHBondContact CB-O 3.31Å; S232-P307 VanDerWaalsContact OG-CA 3.25Å; S232-P307 WeakPolarHBondContact OG-CA 3.21Å; S232-P307 WeakPolarHBondContact OG-CB 3.39Å; S232-P307 PolarHBondContact OG-O 3.47Å; S232-F331 PolarHBondContact N-O 3.44Å; S232-A333 WeakPolarHBondContact O-CA 3.42Å; S232-A333 VanDerWaalsContact O-CB 3.31Å; S232-A333 WeakPolarHBondContact O-CB 3.42Å; S232-A333 PolarHBondContact O-N 2.6Å
233C91.4Very high94.5Very high0 Ų030.7 Ų30.70%015%0.147CC..  trans-150.7169.1174.163.20000108.9R240 T301 A333C233-R240 HydrophobicContact CB-CB 4.38Å; C233-R240 HydrophobicContact CB-CG 3.87Å; C233-T301 WeakPolarHBondContact O-CG2 3.34Å; C233-A333 HydrophobicContact CB-CB 4.19Å
234Y89.2Confident94.5Very high60 Ų6028.2 Ų28.224%0.23513%0.126CC..  trans-63.1139169.3-66.1-80.4000110.7S236 N237 P307 I334 M340Y234-S236 PolarHBondContact O-N 3.43Å; Y234-S236 VanDerWaalsContact O-N 3.12Å; Y234-N237 PolarHBondContact O-N 2.96Å; Y234-P307 HydrophobicContact CD1-CG 4.21Å; Y234-P307 VanDerWaalsContact CE1-CD 3.45Å; Y234-P307 HydrophobicContact CE1-CG 3.82Å; Y234-P307 HydrophobicContact CE2-CG 4.34Å; Y234-I334 HydrophobicContact CD2-CG2 3.89Å; Y234-I334 HydrophobicContact CE2-CB 4.16Å; Y234-I334 HydrophobicContact CE2-CG2 3.8Å; Y234-M340 PolarHBondContact OH-SD 3.45Å; Y234-M340 VanDerWaalsContact OH-SD 3.38Å
235A88.7Confident94.6Very high6 Ų620.3 Ų20.35%0.059%0.091CC..THydrogen-bonded Turntrans-59.3-23.7178.400000113.7F238 L262 S265 T301 G305A235-F238 WeakPolarHBondContact O-CE1 3.41Å; A235-L262 HydrophobicContact CB-CB 3.99Å; A235-L262 HydrophobicContact CB-CD1 4.36Å; A235-S265 PolarHBondContact O-OG 2.97Å; A235-T301 HydrophobicContact CB-CG2 4.24Å; A235-G305 PolarHBondContact N-O 2.91Å; A235-G305 VanDerWaalsContact N-O 3.13Å
236S87.6Confident94.7Very high36 Ų3621.8 Ų21.825%0.25210%0.099SC..THydrogen-bonded Turntrans-91.2-4.5179.560.60000114.2H78 Y234 F238H78-S236 VanDerWaalsContact CD2-CB 3.42Å; H78-S236 WeakPolarHBondContact CD2-CB 3.26Å; Y234-S236 PolarHBondContact O-N 3.43Å; Y234-S236 VanDerWaalsContact O-N 3.12Å; S236-F238 PolarHBondContact O-N 2.84Å; S236-F238 VanDerWaalsContact O-N 3.15Å
237N93.1Very high94.9Very high11 Ų1110.8 Ų10.86%0.0596%0.057CC..  trans-88.380.8179-167.9-29.4000110.8S145 Y234 I239 R240 I241S145-N237 CarbonylContact O-C 3.59Å; Y234-N237 PolarHBondContact O-N 2.96Å; N237-I239 VanDerWaalsContact C-N 3.31Å; N237-I239 PolarHBondContact O-N 3.08Å; N237-R240 HydrophobicContact CB-CB 4.19Å; N237-R240 PolarHBondContact O-N 3.26Å; N237-R240 VanDerWaalsContact OD1-CB 3.31Å; N237-R240 WeakPolarHBondContact OD1-CB 3.21Å; N237-R240 PolarHBondContact OD1-N 3.43Å; N237-I241 WeakPolarHBondContact O-CG1 3.43Å; N237-I241 PolarHBondContact O-N 3.37Å; N237-I241 VanDerWaalsContact O-N 3.11Å
238F95.5Very high95Very high0 Ų010.3 Ų10.30%05%0.052CC..Hα-helixtrans-71.1-28.8-174.7-73.416.6000112.3L101 S145 I146 P147 Y177 A235 S236 R240 I241 Q242 A269 F275L101-F238 HydrophobicContact CD1-CE2 4.23Å; L101-F238 HydrophobicContact CD2-CD2 4.29Å; L101-F238 HydrophobicContact CD2-CE2 3.79Å; S145-F238 PolarHBondContact O-N 2.74Å; I146-F238 HydrophobicContact CD1-CE2 4.49Å; I146-F238 HydrophobicContact CD1-CZ 4.37Å; I146-F238 HydrophobicContact CG1-CD2 4.2Å; I146-F238 HydrophobicContact CG1-CE2 4.25Å; I146-F238 HydrophobicContact CG1-CG 4.35Å; P147-F238 VanDerWaalsContact CD-CD2 3.41Å; P147-F238 HydrophobicContact CG-CD2 3.83Å; Y177-F238 WeakPolarHBondContact OH-CB 3.22Å; A235-F238 WeakPolarHBondContact O-CE1 3.41Å; S236-F238 PolarHBondContact O-N 2.84Å; S236-F238 VanDerWaalsContact O-N 3.15Å; F238-R240 VanDerWaalsContact C-N 3.31Å; F238-R240 PolarHBondContact O-N 3.12Å; F238-I241 HydrophobicContact CD1-CD1 4.22Å; F238-I241 PolarHBondContact O-N 3.16Å; F238-Q242 WeakPolarHBondContact O-CB 3.49Å; F238-Q242 PolarHBondContact O-N 3.41Å; F238-A269 HydrophobicContact CD2-CB 3.98Å; F238-A269 HydrophobicContact CE2-CB 3.22Å; F238-A269 HydrophobicContact CZ-CB 3.82Å; F238-F275 HydrophobicContact CB-CE1 4.06Å; F238-F275 HydrophobicContact CB-CZ 3.75Å; F238-F275 HydrophobicContact CD1-CZ 4.04Å; F238-F275 AromaticContact CD2-CE2 3.99Å; F238-F275 HydrophobicContact CD2-CE2 3.99Å; F238-F275 AromaticContact CD2-CZ 3.77Å; F238-F275 HydrophobicContact CD2-CZ 3.77Å; F238-F275 HydrophobicContact CE2-CE2 4.28Å; F238-F275 HydrophobicContact CE2-CZ 4.42Å; F238-F275 HydrophobicContact CG-CE1 4.38Å; F238-F275 HydrophobicContact CG-CE2 4.24Å; F238-F275 AromaticContact CG-CZ 3.58Å; F238-F275 HydrophobicContact CG-CZ 3.58Å; F238-F275 WeakPolarHBondContact O-CE1 3.49Å
239I95.6Very high95Very high6 Ų612.1 Ų12.13%0.0317%0.066CC..Hα-helixtrans-57.9-49.5171.2-62.9-179.3000109.6H144 S145 L173 Y177 E211 N237 I241 Q242 Q243H144-I239 VanDerWaalsContact O-CD1 3.28Å; H144-I239 WeakPolarHBondContact O-CD1 3.36Å; S145-I239 PolarHBondContact O-N 3.45Å; L173-I239 HydrophobicContact CD1-CD1 3.48Å; L173-I239 VanDerWaalsContact CD1-CD1 3.48Å; L173-I239 HydrophobicContact CD2-CD1 4.28Å; L173-I239 HydrophobicContact CD2-CG2 4.43Å; Y177-I239 HydrophobicContact CD1-CD1 3.78Å; Y177-I239 HydrophobicContact CD1-CG1 3.65Å; Y177-I239 HydrophobicContact CE1-CD1 3.97Å; Y177-I239 HydrophobicContact CE1-CG1 3.34Å; Y177-I239 HydrophobicContact CG-CD1 4.47Å; Y177-I239 HydrophobicContact CG-CG1 4.37Å; E211-I239 HydrophobicContact CB-CG2 4.13Å; E211-I239 HydrophobicContact CG-CD1 4.35Å; E211-I239 HydrophobicContact CG-CG2 3.8Å; N237-I239 VanDerWaalsContact C-N 3.31Å; N237-I239 PolarHBondContact O-N 3.08Å; I239-I241 PolarHBondContact O-N 3.07Å; I239-Q242 PolarHBondContact O-N 2.83Å; I239-Q243 HydrophobicContact CG2-CG 4.43Å; I239-Q243 WeakPolarHBondContact O-CG 3.34Å; I239-Q243 PolarHBondContact O-N 2.72Å
240R94.4Very high95Very high9 Ų917.8 Ų17.83%0.0349%0.09CC..Hα-helixtrans-64.7-41-178.5-168.654.354.378.93.5112.1E211 M218 C233 N237 F238 Q243 V244 A333E211-R240 IonicContact OE2-NH2 3.33Å; M218-R240 WeakPolarHBondContact SD-CD 3.29Å; C233-R240 HydrophobicContact CB-CB 4.38Å; C233-R240 HydrophobicContact CB-CG 3.87Å; N237-R240 HydrophobicContact CB-CB 4.19Å; N237-R240 PolarHBondContact O-N 3.26Å; N237-R240 VanDerWaalsContact OD1-CB 3.31Å; N237-R240 WeakPolarHBondContact OD1-CB 3.21Å; N237-R240 PolarHBondContact OD1-N 3.43Å; F238-R240 VanDerWaalsContact C-N 3.31Å; F238-R240 PolarHBondContact O-N 3.12Å; R240-Q243 VanDerWaalsContact CD-OE1 3.26Å; R240-Q243 PolarHBondContact O-N 2.9Å; R240-V244 WeakPolarHBondContact O-CG2 3.47Å; R240-V244 PolarHBondContact O-N 3.35Å; R240-A333 HydrophobicContact CG-CB 3.76Å; R240-A333 VanDerWaalsContact NH1-C 3.27Å; R240-A333 PolarHBondContact NH1-O 3.34Å
241I96Very high95Very high0 Ų019.6 Ų19.60%010%0.1CC..Hα-helixtrans-59.4-48.3174.4-65.4166.2000110N237 F238 I239 Q243 V244 L245 F257 L262 F266 F275 I299N237-I241 WeakPolarHBondContact O-CG1 3.43Å; N237-I241 PolarHBondContact O-N 3.37Å; N237-I241 VanDerWaalsContact O-N 3.11Å; F238-I241 HydrophobicContact CD1-CD1 4.22Å; F238-I241 PolarHBondContact O-N 3.16Å; I239-I241 PolarHBondContact O-N 3.07Å; I241-Q243 PolarHBondContact O-N 3.04Å; I241-V244 PolarHBondContact O-N 3.48Å; I241-V244 VanDerWaalsContact O-N 3.16Å; I241-L245 HydrophobicContact CG2-CD1 4.24Å; I241-L245 HydrophobicContact CG2-CG 4.44Å; I241-L245 WeakPolarHBondContact O-CG 3.42Å; I241-L245 PolarHBondContact O-N 3.41Å; I241-F257 HydrophobicContact CG2-CE1 3.99Å; I241-F257 HydrophobicContact CG2-CZ 4.3Å; I241-L262 HydrophobicContact CD1-CD1 3.6Å; I241-L262 HydrophobicContact CG1-CD1 4.4Å; I241-F266 HydrophobicContact CG2-CD2 3.99Å; I241-F266 HydrophobicContact CG2-CE2 4.07Å; I241-F275 HydrophobicContact CB-CE1 3.85Å; I241-F275 HydrophobicContact CB-CZ 4.13Å; I241-F275 HydrophobicContact CD1-CZ 4.41Å; I241-F275 HydrophobicContact CG2-CD1 4.38Å; I241-F275 HydrophobicContact CG2-CE1 3.63Å; I241-F275 HydrophobicContact CG2-CZ 3.9Å; I241-I299 HydrophobicContact CG2-CD1 4.18Å
242Q96.5Very high95Very high30 Ų3026 Ų2614%0.1413%0.134CC..Hα-helixtrans-59.9-43.1178.5-176.463.263.400112.2F238 I239 V244 L245 N246 F275 D276F238-Q242 WeakPolarHBondContact O-CB 3.49Å; F238-Q242 PolarHBondContact O-N 3.41Å; I239-Q242 PolarHBondContact O-N 2.83Å; Q242-V244 VanDerWaalsContact C-N 3.33Å; Q242-V244 PolarHBondContact O-N 3.04Å; Q242-L245 WeakPolarHBondContact O-CB 3.48Å; Q242-L245 PolarHBondContact O-N 3.04Å; Q242-N246 PolarHBondContact NE2-OD1 3.14Å; Q242-N246 PolarHBondContact O-N 2.91Å; Q242-N246 PolarHBondContact O-OD1 3.39Å; Q242-F275 HydrophobicContact CB-CD1 4.18Å; Q242-F275 HydrophobicContact CB-CE1 4.31Å; Q242-F275 VanDerWaalsContact OE1-CA 3.26Å; Q242-D276 PolarHBondContact NE2-O 3.22Å
243Q96.2Very high95.1Very high7 Ų726.6 Ų26.63%0.03314%0.136CC..Hα-helixtrans-59.3-43.8175.7-71.5166.9-21.400111.5E211 E215 I239 R240 I241 L245 N246 I247E211-Q243 PolarHBondContact O-NE2 3.25Å; E211-Q243 PolarHBondContact OE2-NE2 2.79Å; E215-Q243 HydrophobicContact CB-CB 4.42Å; E215-Q243 HydrophobicContact CB-CG 4.01Å; E215-Q243 HydrophobicContact CG-CB 4.11Å; E215-Q243 HydrophobicContact CG-CG 4.1Å; I239-Q243 HydrophobicContact CG2-CG 4.43Å; I239-Q243 WeakPolarHBondContact O-CG 3.34Å; I239-Q243 PolarHBondContact O-N 2.72Å; R240-Q243 VanDerWaalsContact CD-OE1 3.26Å; R240-Q243 PolarHBondContact O-N 2.9Å; I241-Q243 PolarHBondContact O-N 3.04Å; Q243-L245 VanDerWaalsContact C-N 3.34Å; Q243-L245 PolarHBondContact O-N 3.1Å; Q243-N246 PolarHBondContact O-N 3.35Å; Q243-I247 WeakPolarHBondContact O-CB 3.37Å; Q243-I247 WeakPolarHBondContact O-CD1 3.43Å; Q243-I247 WeakPolarHBondContact O-CG1 3.49Å; Q243-I247 PolarHBondContact O-N 3.34Å
244V97.2Very high95.5Very high0 Ų029.3 Ų29.30%015%0.148CC..Hα-helixtrans-62-42.3175.8176.50000110.9M218 F222 V231 R240 I241 Q242 I247 A248 I297 I299M218-V244 HydrophobicContact CE-CG2 3.63Å; F222-V244 HydrophobicContact CE2-CG2 4.38Å; V231-V244 HydrophobicContact CG1-CG2 3.87Å; V231-V244 HydrophobicContact CG2-CG1 4.44Å; R240-V244 WeakPolarHBondContact O-CG2 3.47Å; R240-V244 PolarHBondContact O-N 3.35Å; I241-V244 PolarHBondContact O-N 3.48Å; I241-V244 VanDerWaalsContact O-N 3.16Å; Q242-V244 VanDerWaalsContact C-N 3.33Å; Q242-V244 PolarHBondContact O-N 3.04Å; V244-I247 PolarHBondContact O-N 3.44Å; V244-A248 WeakPolarHBondContact O-CB 3.2Å; V244-A248 PolarHBondContact O-N 3.37Å; V244-I297 HydrophobicContact CG1-CG2 3.77Å; V244-I299 HydrophobicContact CB-CD1 3.97Å; V244-I299 HydrophobicContact CG1-CD1 3.71Å; V244-I299 HydrophobicContact CG1-CG1 3.91Å
245L97.8Very high95.9Very high0 Ų026.5 Ų26.50%014%0.137CC..Hα-helixtrans-61.9-44.3175.9-63.8174.8000112I241 Q242 Q243 I247 A248 S249 V255 F257 F266 F275 I277 L281 L282I241-L245 HydrophobicContact CG2-CD1 4.24Å; I241-L245 HydrophobicContact CG2-CG 4.44Å; I241-L245 WeakPolarHBondContact O-CG 3.42Å; I241-L245 PolarHBondContact O-N 3.41Å; Q242-L245 WeakPolarHBondContact O-CB 3.48Å; Q242-L245 PolarHBondContact O-N 3.04Å; Q243-L245 VanDerWaalsContact C-N 3.34Å; Q243-L245 PolarHBondContact O-N 3.1Å; L245-I247 PolarHBondContact O-N 3.48Å; L245-A248 PolarHBondContact O-N 3.47Å; L245-S249 PolarHBondContact O-N 3.14Å; L245-V255 HydrophobicContact CD2-CB 4.01Å; L245-V255 HydrophobicContact CD2-CG1 3.88Å; L245-V255 HydrophobicContact CD2-CG2 3.98Å; L245-F257 HydrophobicContact CD2-CZ 4.35Å; L245-F266 HydrophobicContact CD1-CE2 4.04Å; L245-F266 HydrophobicContact CD1-CZ 4.4Å; L245-F275 HydrophobicContact CD1-CD1 4.11Å; L245-I277 HydrophobicContact CD1-CG1 4.21Å; L245-L281 HydrophobicContact CB-CD2 4.08Å; L245-L281 HydrophobicContact CD2-CD2 4.01Å; L245-L282 HydrophobicContact CD2-CD2 3.82Å
246N97.1Very high96.3Very high46 Ų4626.2 Ų26.225%0.24614%0.135CC..Hα-helixtrans-59-48.7176.9-68.1-10.2000111.1E215 Q242 Q243 S249 K250E215-N246 PolarHBondContact OE2-ND2 3.43Å; Q242-N246 PolarHBondContact NE2-OD1 3.14Å; Q242-N246 PolarHBondContact O-N 2.91Å; Q242-N246 PolarHBondContact O-OD1 3.39Å; Q243-N246 PolarHBondContact O-N 3.35Å; N246-S249 PolarHBondContact O-N 3.49Å; N246-K250 WeakPolarHBondContact O-CG 2.7Å; N246-K250 PolarHBondContact O-N 3.2Å
247I97.7Very high96.7Very high0 Ų025.4 Ų25.40%013%0.127CC..Hα-helixtrans-65.6-43.8179.9-65.2162.2000110.6E215 M218 Y219 F222 Q243 V244 L245 S249 K250 L251E215-I247 HydrophobicContact CG-CD1 3.96Å; E215-I247 HydrophobicContact CG-CG1 4Å; M218-I247 HydrophobicContact CB-CD1 3.51Å; M218-I247 HydrophobicContact CE-CD1 4.27Å; Y219-I247 HydrophobicContact CD2-CG1 4.39Å; Y219-I247 HydrophobicContact CD2-CG2 3.99Å; F222-I247 HydrophobicContact CB-CG2 4.02Å; F222-I247 HydrophobicContact CD2-CB 4.34Å; F222-I247 HydrophobicContact CD2-CD1 4.36Å; F222-I247 HydrophobicContact CD2-CG2 3.58Å; F222-I247 HydrophobicContact CE2-CD1 4.42Å; F222-I247 HydrophobicContact CE2-CG2 4.49Å; F222-I247 HydrophobicContact CG-CG2 4.22Å; Q243-I247 WeakPolarHBondContact O-CB 3.37Å; Q243-I247 WeakPolarHBondContact O-CD1 3.43Å; Q243-I247 WeakPolarHBondContact O-CG1 3.49Å; Q243-I247 PolarHBondContact O-N 3.34Å; V244-I247 PolarHBondContact O-N 3.44Å; L245-I247 PolarHBondContact O-N 3.48Å; I247-S249 VanDerWaalsContact C-N 3.3Å; I247-S249 PolarHBondContact O-N 2.98Å; I247-K250 PolarHBondContact O-N 3.33Å; I247-K250 VanDerWaalsContact O-N 3.14Å; I247-L251 HydrophobicContact CG2-CD1 3.66Å; I247-L251 HydrophobicContact CG2-CG 4.18Å; I247-L251 WeakPolarHBondContact O-CB 3.42Å; I247-L251 WeakPolarHBondContact O-CG 3.19Å; I247-L251 PolarHBondContact O-N 3.43Å
248A98Very high96.7Very high0 Ų025 Ų250%013%0.125CC..Hα-helixtrans-56.8-46177.500000111.3V244 L245 K250 L251 N252 R253 V255 L281 I297V244-A248 WeakPolarHBondContact O-CB 3.2Å; V244-A248 PolarHBondContact O-N 3.37Å; L245-A248 PolarHBondContact O-N 3.47Å; A248-K250 PolarHBondContact O-N 2.84Å; A248-L251 CarbonylContact O-C 3.56Å; A248-L251 PolarHBondContact O-N 2.83Å; A248-N252 PolarHBondContact O-N 3.4Å; A248-R253 CarbonylContact C-O 3.49Å; A248-R253 HydrophobicContact CB-CB 4.5Å; A248-R253 WeakPolarHBondContact CB-O 3.25Å; A248-R253 PolarHBondContact O-N 3.15Å; A248-V255 HydrophobicContact CB-CG2 3.24Å; A248-L281 HydrophobicContact CB-CD1 4.16Å; A248-I297 HydrophobicContact CB-CD1 3.7Å
249S97.4Very high96.5Very high44 Ų4425.7 Ų25.731%0.30813%0.132SC..Hα-helixtrans-61.9-42.7175.5-171.70000112.6L245 N246 I247 L251 N252L245-S249 PolarHBondContact O-N 3.14Å; N246-S249 PolarHBondContact O-N 3.49Å; I247-S249 VanDerWaalsContact C-N 3.3Å; I247-S249 PolarHBondContact O-N 2.98Å; S249-L251 VanDerWaalsContact C-N 3.29Å; S249-L251 PolarHBondContact O-N 2.91Å; S249-N252 PolarHBondContact O-N 2.99Å
250K97.3Very high96.1Very high118 Ų11835.1 Ų35.151%0.51317%0.167SC..Hα-helixtrans-65.3-33.2178.6-70.3167.1-177168.50112.1E215 Y219 N246 I247 A248E215-K250 IonicContact OE1-NZ 3.69Å; E215-K250 PolarHBondContact OE1-NZ 3.24Å; Y219-K250 HydrophobicContact CD2-CB 4.41Å; Y219-K250 HydrophobicContact CD2-CD 4.19Å; Y219-K250 HydrophobicContact CE2-CB 3.81Å; Y219-K250 HydrophobicContact CE2-CD 4.16Å; N246-K250 WeakPolarHBondContact O-CG 2.7Å; N246-K250 PolarHBondContact O-N 3.2Å; I247-K250 PolarHBondContact O-N 3.33Å; I247-K250 VanDerWaalsContact O-N 3.14Å; A248-K250 PolarHBondContact O-N 2.84Å
251L97.3Very high95.6Very high38 Ų3836.6 Ų36.620%0.19918%0.179CC..THydrogen-bonded Turntrans-92.55.7-179.5-63.1179.9000113.7Y219 F222 A223 I247 A248 S249 R253Y219-L251 HydrophobicContact CD2-CD2 4.44Å; Y219-L251 HydrophobicContact CD2-CG 4.45Å; Y219-L251 HydrophobicContact CE2-CD2 3.67Å; Y219-L251 HydrophobicContact CE2-CG 4.01Å; F222-L251 HydrophobicContact CB-CD1 3.69Å; A223-L251 HydrophobicContact CB-CD2 3.98Å; I247-L251 HydrophobicContact CG2-CD1 3.66Å; I247-L251 HydrophobicContact CG2-CG 4.18Å; I247-L251 WeakPolarHBondContact O-CB 3.42Å; I247-L251 WeakPolarHBondContact O-CG 3.19Å; I247-L251 PolarHBondContact O-N 3.43Å; A248-L251 CarbonylContact O-C 3.56Å; A248-L251 PolarHBondContact O-N 2.83Å; S249-L251 VanDerWaalsContact C-N 3.29Å; S249-L251 PolarHBondContact O-N 2.91Å; L251-R253 HydrophobicContact CB-CG 4.26Å; L251-R253 PolarHBondContact O-N 2.98Å
252N96.3Very high95.4Very high135 Ų13536.6 Ų36.672%0.72218%0.179SC*.THydrogen-bonded Turntrans53.537.7-174.9-59.7-57.1000113.6A248 S249A248-N252 PolarHBondContact O-N 3.4Å; S249-N252 PolarHBondContact O-N 2.99Å
253R97.8Very high95.2Very high12 Ų1238.6 Ų38.65%0.04519%0.188CC..  trans-102.5136.3173.7-65.1-176.8169.9-109.51.6110.1V225 G227 A248 L251 L281 N294 E295 V296 I297V225-R253 PolarHBondContact O-NH2 3.19Å; G227-R253 PolarHBondContact O-NH1 3.32Å; G227-R253 PolarHBondContact O-NH2 3Å; A248-R253 CarbonylContact C-O 3.49Å; A248-R253 HydrophobicContact CB-CB 4.5Å; A248-R253 WeakPolarHBondContact CB-O 3.25Å; A248-R253 PolarHBondContact O-N 3.15Å; L251-R253 HydrophobicContact CB-CG 4.26Å; L251-R253 PolarHBondContact O-N 2.98Å; R253-L281 VanDerWaalsContact O-CD1 3.23Å; R253-L281 WeakPolarHBondContact O-CD1 3.46Å; R253-N294 PolarHBondContact NE-O 3.32Å; R253-N294 PolarHBondContact NH1-O 3.48Å; R253-N294 PolarHBondContact NH2-O 3.02Å; R253-E295 CarbonylContact C-O 3.14Å; R253-E295 VanDerWaalsContact CA-O 3.23Å; R253-E295 WeakPolarHBondContact CA-O 3.43Å; R253-V296 PolarHBondContact NH1-O 2.88Å; R253-V296 VanDerWaalsContact NH1-O 3.1Å; R253-I297 HydrophobicContact CB-CD1 4.02Å; R253-I297 HydrophobicContact CB-CG1 4.11Å
254K98.3Very high95Very high58 Ų5840.5 Ų40.525%0.25220%0.202SC..EExtended strand (participates in β ladder)trans-73.6151.6168.3-58.9-57.6-175.1-177.40110.4D280 L281 I283 Y291 E295 I297K254-D280 WeakPolarHBondContact CD-O 3.4Å; K254-D280 WeakPolarHBondContact CE-O 3.39Å; K254-D280 PolarHBondContact NZ-O 3.36Å; K254-L281 CarbonylContact C-O 3.6Å; K254-L281 WeakPolarHBondContact CA-O 3.46Å; K254-I283 HydrophobicContact CB-CD1 3.7Å; K254-I283 HydrophobicContact CB-CG1 3.96Å; K254-I283 HydrophobicContact CB-CG2 3.97Å; K254-I283 HydrophobicContact CD-CG2 4.22Å; K254-I283 HydrophobicContact CG-CD1 4.41Å; K254-I283 HydrophobicContact CG-CG2 4.02Å; K254-Y291 HydrophobicContact CG-CD1 3.97Å; K254-Y291 HydrophobicContact CG-CE1 3.81Å; K254-E295 PolarHBondContact N-O 2.97Å; K254-I297 PolarHBondContact O-N 2.79Å
255V98.2Very high94.7Very high0 Ų041.2 Ų41.20%021%0.207CC..EExtended strand (participates in β ladder)trans-116.5131.1179.4-176.50000110.4L245 A248 F257 L281 L282 I283 I297 I299L245-V255 HydrophobicContact CD2-CB 4.01Å; L245-V255 HydrophobicContact CD2-CG1 3.88Å; L245-V255 HydrophobicContact CD2-CG2 3.98Å; A248-V255 HydrophobicContact CB-CG2 3.24Å; V255-F257 HydrophobicContact CG1-CE2 4.36Å; V255-F257 HydrophobicContact CG1-CZ 4.36Å; V255-L281 HydrophobicContact CG2-CD1 4.36Å; V255-L281 HydrophobicContact CG2-CG 4.25Å; V255-L281 PolarHBondContact N-O 2.85Å; V255-L282 HydrophobicContact CB-CD2 4.02Å; V255-L282 HydrophobicContact CG1-CD2 4.44Å; V255-L282 WeakPolarHBondContact O-CA 3.4Å; V255-I283 PolarHBondContact O-N 3.3Å; V255-I297 WeakPolarHBondContact CA-O 3.36Å; V255-I297 HydrophobicContact CG2-CB 4.4Å; V255-I299 HydrophobicContact CG1-CD1 4.01Å; V255-I299 HydrophobicContact CG1-CG1 4.13Å
256S97Very high94.6Very high1 Ų141.3 Ų41.31%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-118.9154.4166.9-172.50000110.4I283 I285 I297 I298 I299S256-I283 PolarHBondContact OG-O 3.47Å; S256-I285 WeakPolarHBondContact OG-CA 3.19Å; S256-I285 WeakPolarHBondContact OG-CB 3.38Å; S256-I285 WeakPolarHBondContact OG-CD1 3.47Å; S256-I285 PolarHBondContact OG-N 3.27Å; S256-I285 VanDerWaalsContact OG-N 3.16Å; S256-I297 PolarHBondContact N-O 2.98Å; S256-I298 CarbonylContact O-C 3.47Å; S256-I298 WeakPolarHBondContact O-CA 3.48Å; S256-I299 PolarHBondContact O-N 2.92Å
257F95.6Very high94.5Very high19 Ų1942 Ų428%0.08321%0.211CC..EExtended strand (participates in β ladder)trans-106.6146.2173.6-62.9-89.9000109.6I241 L245 V255 L262 E263 F266 L282 I299I241-F257 HydrophobicContact CG2-CE1 3.99Å; I241-F257 HydrophobicContact CG2-CZ 4.3Å; L245-F257 HydrophobicContact CD2-CZ 4.35Å; V255-F257 HydrophobicContact CG1-CE2 4.36Å; V255-F257 HydrophobicContact CG1-CZ 4.36Å; F257-L262 HydrophobicContact CB-CD2 4.33Å; F257-L262 HydrophobicContact CD1-CD1 4.11Å; F257-L262 HydrophobicContact CD1-CD2 3.84Å; F257-L262 HydrophobicContact CD1-CG 3.83Å; F257-L262 HydrophobicContact CE1-CD1 4.46Å; F257-E263 HydrophobicContact CB-CG 3.79Å; F257-F266 HydrophobicContact CD1-CG 4.5Å; F257-F266 HydrophobicContact CD2-CD1 4.16Å; F257-F266 HydrophobicContact CD2-CE1 4.15Å; F257-F266 HydrophobicContact CE1-CD1 4.26Å; F257-F266 AromaticContact CE1-CD2 3.86Å; F257-F266 HydrophobicContact CE1-CD2 3.86Å; F257-F266 HydrophobicContact CE1-CE1 4.47Å; F257-F266 HydrophobicContact CE1-CE2 4.12Å; F257-F266 AromaticContact CE1-CG 3.94Å; F257-F266 HydrophobicContact CE1-CG 3.94Å; F257-F266 HydrophobicContact CE1-CZ 4.39Å; F257-F266 AromaticContact CE2-CD1 3.7Å; F257-F266 HydrophobicContact CE2-CD1 3.7Å; F257-F266 HydrophobicContact CE2-CD2 4.4Å; F257-F266 AromaticContact CE2-CE1 3.35Å; F257-F266 HydrophobicContact CE2-CE1 3.35Å; F257-F266 HydrophobicContact CE2-CE2 4.12Å; F257-F266 HydrophobicContact CE2-CG 4.21Å; F257-F266 AromaticContact CE2-CZ 3.57Å; F257-F266 HydrophobicContact CE2-CZ 3.57Å; F257-F266 AromaticContact CZ-CD1 3.77Å; F257-F266 HydrophobicContact CZ-CD1 3.77Å; F257-F266 AromaticContact CZ-CD2 3.63Å; F257-F266 HydrophobicContact CZ-CD2 3.63Å; F257-F266 AromaticContact CZ-CE1 3.56Å; F257-F266 HydrophobicContact CZ-CE1 3.56Å; F257-F266 AromaticContact CZ-CE2 3.43Å; F257-F266 HydrophobicContact CZ-CE2 3.43Å; F257-F266 VanDerWaalsContact CZ-CE2 3.43Å; F257-F266 AromaticContact CZ-CG 3.79Å; F257-F266 HydrophobicContact CZ-CG 3.79Å; F257-F266 AromaticContact CZ-CZ 3.38Å; F257-F266 HydrophobicContact CZ-CZ 3.38Å; F257-L282 HydrophobicContact CE2-CD1 4.37Å; F257-L282 HydrophobicContact CE2-CD2 3.83Å; F257-L282 HydrophobicContact CZ-CD2 4.49Å; F257-I299 CarbonylContact C-O 3.58Å; F257-I299 WeakPolarHBondContact CA-O 3.28Å; F257-I299 HydrophobicContact CD1-CB 4.1Å; F257-I299 HydrophobicContact CD1-CD1 4.4Å; F257-I299 HydrophobicContact CE1-CB 4.34Å; F257-I299 HydrophobicContact CE1-CD1 3.78Å; F257-I299 HydrophobicContact CZ-CD1 4.32Å
258L93.8Very high94.4Very high3 Ų343.2 Ų43.22%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-135.3104.1174.7-176.969000109.4I285 I298 I299 A300 T301 M314 H319 I321L258-I285 HydrophobicContact CB-CD1 4.25Å; L258-I285 HydrophobicContact CD1-CD1 4.24Å; L258-I285 HydrophobicContact CD1-CG1 3.99Å; L258-I298 HydrophobicContact CB-CG2 3.89Å; L258-I299 PolarHBondContact N-O 3.02Å; L258-A300 HydrophobicContact CB-CB 4.19Å; L258-A300 HydrophobicContact CD2-CB 4.2Å; L258-A300 WeakPolarHBondContact O-CA 3.14Å; L258-T301 PolarHBondContact O-N 3.14Å; L258-M314 HydrophobicContact CD2-CE 4.41Å; L258-M314 HydrophobicContact CD2-SD 3.58Å; L258-M314 VanDerWaalsContact CD2-SD 3.58Å; L258-H319 VanDerWaalsContact CD1-CE1 3.45Å; L258-H319 WeakPolarHBondContact CD1-CE1 3.36Å; L258-I321 HydrophobicContact CD1-CB 4.24Å; L258-I321 HydrophobicContact CD1-CD1 4.18Å; L258-I321 HydrophobicContact CD1-CG2 4.3Å
259G90.8Very high94.3Very high14 Ų1443.2 Ų43.214%0.14422%0.218CC..  trans142.3129.9177.100000111.2S261 L262 E263G259-S261 PolarHBondContact O-N 3.07Å; G259-L262 PolarHBondContact O-N 3.47Å; G259-E263 WeakPolarHBondContact O-CB 3.2Å; G259-E263 WeakPolarHBondContact O-CG 3.24Å; G259-E263 PolarHBondContact O-N 2.84Å
260R86.8Confident94.1Very high203 Ų20347 Ų4777%0.76623%0.225SC*.Hα-helixtrans-63.6-45.2-173.4-70.4-177-179.4173.5-0.8113E263 S264R260-E263 PolarHBondContact O-N 3.41Å; R260-S264 WeakPolarHBondContact O-CB 3.5Å; R260-S264 PolarHBondContact O-N 2.94Å
261S85.6Confident94.1Very high40 Ų4049.9 Ų49.928%0.2824%0.238SC..Hα-helixtrans-62.5-48179.6-179.30000111G259 E263 S264 S265 M303G259-S261 PolarHBondContact O-N 3.07Å; S261-E263 PolarHBondContact O-N 3.39Å; S261-S264 PolarHBondContact O-N 3.3Å; S261-S265 PolarHBondContact O-N 3.47Å; S261-S265 PolarHBondContact O-OG 3.42Å; S261-M303 WeakPolarHBondContact CB-O 3.42Å
262L90.5Very high94Very high0 Ų050.4 Ų50.40%024%0.24CC..Hα-helixtrans-57.1-49.3174.6172.365.6000112.5A235 I241 F257 G259 S264 S265 F266 I299 T301A235-L262 HydrophobicContact CB-CB 3.99Å; A235-L262 HydrophobicContact CB-CD1 4.36Å; I241-L262 HydrophobicContact CD1-CD1 3.6Å; I241-L262 HydrophobicContact CG1-CD1 4.4Å; F257-L262 HydrophobicContact CB-CD2 4.33Å; F257-L262 HydrophobicContact CD1-CD1 4.11Å; F257-L262 HydrophobicContact CD1-CD2 3.84Å; F257-L262 HydrophobicContact CD1-CG 3.83Å; F257-L262 HydrophobicContact CE1-CD1 4.46Å; G259-L262 PolarHBondContact O-N 3.47Å; L262-S264 VanDerWaalsContact C-N 3.32Å; L262-S264 PolarHBondContact O-N 2.87Å; L262-S265 PolarHBondContact O-OG 3.43Å; L262-F266 WeakPolarHBondContact O-CB 3.34Å; L262-F266 PolarHBondContact O-N 3.16Å; L262-I299 HydrophobicContact CD1-CG2 4.5Å; L262-I299 HydrophobicContact CD2-CB 4.27Å; L262-I299 HydrophobicContact CD2-CG2 3.82Å; L262-I299 WeakPolarHBondContact CD2-O 3.49Å; L262-T301 HydrophobicContact CB-CG2 4.2Å; L262-T301 VanDerWaalsContact CB-OG1 3.23Å; L262-T301 WeakPolarHBondContact CB-OG1 3.49Å; L262-T301 HydrophobicContact CD2-CG2 3.98Å
263E92.6Very high93.9Very high73 Ų7346.5 Ų46.534%0.34123%0.232SC..Hα-helixtrans-62.6-40.2178.4-77.4176.2-137.700112F257 G259 R260 S261 N267F257-E263 HydrophobicContact CB-CG 3.79Å; G259-E263 WeakPolarHBondContact O-CB 3.2Å; G259-E263 WeakPolarHBondContact O-CG 3.24Å; G259-E263 PolarHBondContact O-N 2.84Å; R260-E263 PolarHBondContact O-N 3.41Å; S261-E263 PolarHBondContact O-N 3.39Å; E263-N267 WeakPolarHBondContact O-CB 3.46Å; E263-N267 PolarHBondContact O-N 2.93Å; E263-N267 PolarHBondContact O-ND2 2.9Å
264S91.4Very high93.8Very high46 Ų4646.9 Ų46.932%0.32223%0.233SC..Hα-helixtrans-64.1-55.7179.7-172.20000111.3R260 S261 L262 F266 N267 I268R260-S264 WeakPolarHBondContact O-CB 3.5Å; R260-S264 PolarHBondContact O-N 2.94Å; S261-S264 PolarHBondContact O-N 3.3Å; L262-S264 VanDerWaalsContact C-N 3.32Å; L262-S264 PolarHBondContact O-N 2.87Å; S264-F266 PolarHBondContact O-N 3.02Å; S264-N267 PolarHBondContact O-N 3.22Å; S264-I268 WeakPolarHBondContact O-CG1 3.41Å; S264-I268 PolarHBondContact O-N 3.45Å
265S92.4Very high93.7Very high15 Ų1544.8 Ų44.811%0.10522%0.224CC..Hα-helixtrans-62.1-43.7-178.967.20000111.4A235 S261 L262 N267 I268 A269A235-S265 PolarHBondContact O-OG 2.97Å; S261-S265 PolarHBondContact O-N 3.47Å; S261-S265 PolarHBondContact O-OG 3.42Å; L262-S265 PolarHBondContact O-OG 3.43Å; S265-N267 PolarHBondContact O-N 3.18Å; S265-I268 PolarHBondContact O-N 3.39Å; S265-A269 WeakPolarHBondContact O-CB 3.48Å; S265-A269 PolarHBondContact O-N 3.48Å
266F95Very high93.5Very high2 Ų250.4 Ų50.41%0.00925%0.254CS..Hα-helixtrans-59.6-47.3176.3176.9-101.8000111.8I241 L245 F257 L262 S264 I268 A269 R270 F275 I277 L282I241-F266 HydrophobicContact CG2-CD2 3.99Å; I241-F266 HydrophobicContact CG2-CE2 4.07Å; L245-F266 HydrophobicContact CD1-CE2 4.04Å; L245-F266 HydrophobicContact CD1-CZ 4.4Å; F257-F266 HydrophobicContact CD1-CG 4.5Å; F257-F266 HydrophobicContact CD2-CD1 4.16Å; F257-F266 HydrophobicContact CD2-CE1 4.15Å; F257-F266 HydrophobicContact CE1-CD1 4.26Å; F257-F266 AromaticContact CE1-CD2 3.86Å; F257-F266 HydrophobicContact CE1-CD2 3.86Å; F257-F266 HydrophobicContact CE1-CE1 4.47Å; F257-F266 HydrophobicContact CE1-CE2 4.12Å; F257-F266 AromaticContact CE1-CG 3.94Å; F257-F266 HydrophobicContact CE1-CG 3.94Å; F257-F266 HydrophobicContact CE1-CZ 4.39Å; F257-F266 AromaticContact CE2-CD1 3.7Å; F257-F266 HydrophobicContact CE2-CD1 3.7Å; F257-F266 HydrophobicContact CE2-CD2 4.4Å; F257-F266 AromaticContact CE2-CE1 3.35Å; F257-F266 HydrophobicContact CE2-CE1 3.35Å; F257-F266 HydrophobicContact CE2-CE2 4.12Å; F257-F266 HydrophobicContact CE2-CG 4.21Å; F257-F266 AromaticContact CE2-CZ 3.57Å; F257-F266 HydrophobicContact CE2-CZ 3.57Å; F257-F266 AromaticContact CZ-CD1 3.77Å; F257-F266 HydrophobicContact CZ-CD1 3.77Å; F257-F266 AromaticContact CZ-CD2 3.63Å; F257-F266 HydrophobicContact CZ-CD2 3.63Å; F257-F266 AromaticContact CZ-CE1 3.56Å; F257-F266 HydrophobicContact CZ-CE1 3.56Å; F257-F266 AromaticContact CZ-CE2 3.43Å; F257-F266 HydrophobicContact CZ-CE2 3.43Å; F257-F266 VanDerWaalsContact CZ-CE2 3.43Å; F257-F266 AromaticContact CZ-CG 3.79Å; F257-F266 HydrophobicContact CZ-CG 3.79Å; F257-F266 AromaticContact CZ-CZ 3.38Å; F257-F266 HydrophobicContact CZ-CZ 3.38Å; L262-F266 WeakPolarHBondContact O-CB 3.34Å; L262-F266 PolarHBondContact O-N 3.16Å; S264-F266 PolarHBondContact O-N 3.02Å; F266-I268 PolarHBondContact O-N 3.41Å; F266-A269 PolarHBondContact O-N 3.35Å; F266-R270 HydrophobicContact CE1-CB 4.41Å; F266-R270 WeakPolarHBondContact O-CB 3.45Å; F266-R270 PolarHBondContact O-N 3.23Å; F266-F275 AromaticContact CD2-CD2 3.67Å; F266-F275 HydrophobicContact CD2-CD2 3.67Å; F266-F275 HydrophobicContact CD2-CE1 4.4Å; F266-F275 AromaticContact CD2-CE2 3.36Å; F266-F275 HydrophobicContact CD2-CE2 3.36Å; F266-F275 HydrophobicContact CD2-CG 4.31Å; F266-F275 AromaticContact CD2-CZ 3.78Å; F266-F275 HydrophobicContact CD2-CZ 3.78Å; F266-F275 HydrophobicContact CE2-CB 4.44Å; F266-F275 HydrophobicContact CE2-CD1 4.19Å; F266-F275 AromaticContact CE2-CD2 3.57Å; F266-F275 HydrophobicContact CE2-CD2 3.57Å; F266-F275 HydrophobicContact CE2-CE1 4.35Å; F266-F275 AromaticContact CE2-CE2 3.74Å; F266-F275 HydrophobicContact CE2-CE2 3.74Å; F266-F275 AromaticContact CE2-CG 3.82Å; F266-F275 HydrophobicContact CE2-CG 3.82Å; F266-F275 HydrophobicContact CE2-CZ 4.15Å; F266-F275 HydrophobicContact CG-CE2 4.34Å; F266-I277 HydrophobicContact CE1-CD1 4.45Å; F266-I277 HydrophobicContact CE2-CD1 4.3Å; F266-I277 HydrophobicContact CZ-CD1 3.62Å; F266-L282 HydrophobicContact CE1-CD1 3.73Å; F266-L282 HydrophobicContact CZ-CD1 3.87Å
267N95.2Very high93.4Very high60 Ų6052.2 Ų52.232%0.32126%0.263SS..Hα-helixtrans-67.7-36.2-177.8-79.2-46.6000112.8E263 S264 S265 K271E263-N267 WeakPolarHBondContact O-CB 3.46Å; E263-N267 PolarHBondContact O-N 2.93Å; E263-N267 PolarHBondContact O-ND2 2.9Å; S264-N267 PolarHBondContact O-N 3.22Å; S265-N267 PolarHBondContact O-N 3.18Å; N267-K271 WeakPolarHBondContact O-CB 3.2Å; N267-K271 VanDerWaalsContact O-CG 3.25Å; N267-K271 WeakPolarHBondContact O-CG 3.45Å; N267-K271 PolarHBondContact O-N 3.15Å; N267-K271 VanDerWaalsContact O-N 3.08Å
268I95.1Very high93.2Very high27 Ų2753.6 Ų53.614%0.13827%0.274CS..Hα-helixtrans-60.7-54.1173.1-69.8166.2000109.3A104 L105 E108 S264 S265 F266 R270 K271 M272A104-I268 HydrophobicContact CB-CG2 3.76Å; L105-I268 HydrophobicContact CD2-CD1 4.16Å; L105-I268 HydrophobicContact CD2-CG2 4.44Å; E108-I268 HydrophobicContact CB-CD1 3.64Å; E108-I268 HydrophobicContact CG-CD1 3.8Å; S264-I268 WeakPolarHBondContact O-CG1 3.41Å; S264-I268 PolarHBondContact O-N 3.45Å; S265-I268 PolarHBondContact O-N 3.39Å; F266-I268 PolarHBondContact O-N 3.41Å; I268-R270 PolarHBondContact O-N 3.11Å; I268-K271 PolarHBondContact O-N 3.05Å; I268-M272 HydrophobicContact CG2-SD 3.88Å; I268-M272 VanDerWaalsContact O-CG 3.29Å; I268-M272 WeakPolarHBondContact O-CG 3.49Å; I268-M272 PolarHBondContact O-N 3.32Å
269A95.2Very high93.1Very high0 Ų062 Ų620%031%0.311CS..Hα-helixtrans-64.3-40.3-176.800000112.9L101 F238 S265 F266 M272 G273 Y274 F275L101-A269 HydrophobicContact CD1-CB 4.19Å; F238-A269 HydrophobicContact CD2-CB 3.98Å; F238-A269 HydrophobicContact CE2-CB 3.22Å; F238-A269 HydrophobicContact CZ-CB 3.82Å; S265-A269 WeakPolarHBondContact O-CB 3.48Å; S265-A269 PolarHBondContact O-N 3.48Å; F266-A269 PolarHBondContact O-N 3.35Å; A269-M272 CarbonylContact O-C 3.58Å; A269-M272 PolarHBondContact O-N 3.4Å; A269-M272 VanDerWaalsContact O-N 3.14Å; A269-G273 PolarHBondContact O-N 2.89Å; A269-G273 VanDerWaalsContact O-N 3.13Å; A269-Y274 HydrophobicContact CB-CD2 4.26Å; A269-Y274 WeakPolarHBondContact O-CD2 3.19Å; A269-Y274 PolarHBondContact O-N 3.17Å; A269-Y274 VanDerWaalsContact O-N 3.07Å; A269-F275 HydrophobicContact CB-CD2 3.99Å; A269-F275 HydrophobicContact CB-CE2 3.65Å
270R95Very high93.2Very high122 Ų12266.5 Ų66.546%0.4633%0.331SS..Hα-helixtrans-57.7-49.2173.5171.7179.4173.8-159.50.7111.6F266 I268 M272 G273 F275 I277F266-R270 HydrophobicContact CE1-CB 4.41Å; F266-R270 WeakPolarHBondContact O-CB 3.45Å; F266-R270 PolarHBondContact O-N 3.23Å; I268-R270 PolarHBondContact O-N 3.11Å; R270-M272 PolarHBondContact O-N 3.12Å; R270-G273 PolarHBondContact O-N 2.96Å; R270-G273 VanDerWaalsContact O-N 3.08Å; R270-F275 HydrophobicContact CB-CD2 4.46Å; R270-I277 HydrophobicContact CB-CD1 4.27Å; R270-I277 HydrophobicContact CG-CD1 3.64Å
271K95.7Very high93.6Very high180 Ų18057.3 Ų57.378%0.78330%0.297SS*.Hα-helixtrans-61.3-26.2178.8-75.7171.5-176.1174.10112.5N267 I268N267-K271 WeakPolarHBondContact O-CB 3.2Å; N267-K271 VanDerWaalsContact O-CG 3.25Å; N267-K271 WeakPolarHBondContact O-CG 3.45Å; N267-K271 PolarHBondContact O-N 3.15Å; N267-K271 VanDerWaalsContact O-N 3.08Å; I268-K271 PolarHBondContact O-N 3.05Å
272M95.4Very high94.2Very high48 Ų4857.2 Ų57.224%0.23629%0.294CS..Hα-helixtrans-89.5-7.8179.9-64.9174.574.800113.7K100 L101 A104 I268 A269 R270 Y274K100-M272 HydrophobicContact CB-CE 4.04Å; K100-M272 HydrophobicContact CD-CE 3.53Å; K100-M272 HydrophobicContact CG-CE 3.42Å; K100-M272 VanDerWaalsContact CG-CE 3.42Å; K100-M272 WeakPolarHBondContact O-CE 3.32Å; L101-M272 HydrophobicContact CD1-SD 4.39Å; A104-M272 HydrophobicContact CB-CE 4.12Å; A104-M272 HydrophobicContact CB-SD 3.67Å; I268-M272 HydrophobicContact CG2-SD 3.88Å; I268-M272 VanDerWaalsContact O-CG 3.29Å; I268-M272 WeakPolarHBondContact O-CG 3.49Å; I268-M272 PolarHBondContact O-N 3.32Å; A269-M272 CarbonylContact O-C 3.58Å; A269-M272 PolarHBondContact O-N 3.4Å; A269-M272 VanDerWaalsContact O-N 3.14Å; R270-M272 PolarHBondContact O-N 3.12Å; M272-Y274 HydrophobicContact CB-CD2 3.63Å; M272-Y274 HydrophobicContact CB-CE2 3.49Å; M272-Y274 VanDerWaalsContact CB-CE2 3.49Å; M272-Y274 HydrophobicContact CE-CE2 3.76Å; M272-Y274 HydrophobicContact CG-CE2 4.35Å; M272-Y274 HydrophobicContact SD-CE2 4.01Å
273G95.3Very high94.5Very high54 Ų5457.9 Ų57.956%0.55730%0.297SS*.THydrogen-bonded Turntrans8819.7177.100000115.2A269 R270 F275A269-G273 PolarHBondContact O-N 2.89Å; A269-G273 VanDerWaalsContact O-N 3.13Å; R270-G273 PolarHBondContact O-N 2.96Å; R270-G273 VanDerWaalsContact O-N 3.08Å; G273-F275 VanDerWaalsContact C-N 3.34Å
274Y95.6Very high94.6Very high19 Ų1957.4 Ų57.48%0.07530%0.3CS..  trans-81.6-11.6178.6-66.5-73.2000114.5L101 P147 D148 H176 A269 M272L101-Y274 HydrophobicContact CB-CE2 3.82Å; L101-Y274 HydrophobicContact CD1-CD2 4.18Å; L101-Y274 HydrophobicContact CD1-CE2 4.03Å; L101-Y274 HydrophobicContact CD2-CE2 4.47Å; L101-Y274 HydrophobicContact CG-CE2 4.32Å; L101-Y274 PolarHBondContact N-OH 3.19Å; P147-Y274 HydrophobicContact CB-CD1 3.66Å; P147-Y274 HydrophobicContact CB-CE1 4.02Å; P147-Y274 HydrophobicContact CB-CG 4.41Å; P147-Y274 HydrophobicContact CG-CD1 3.78Å; P147-Y274 HydrophobicContact CG-CE1 4.49Å; P147-Y274 HydrophobicContact CG-CG 4.04Å; D148-Y274 WeakPolarHBondContact OD2-CE1 3.34Å; D148-Y274 VanDerWaalsContact OD2-CZ 3.3Å; D148-Y274 PolarHBondContact OD2-OH 3.12Å; H176-Y274 HydrophobicContact CB-CD1 4.25Å; H176-Y274 HydrophobicContact CB-CE1 4.32Å; H176-Y274 AromaticContact CD2-CD1 3.98Å; H176-Y274 AromaticContact CG-CD1 3.93Å; H176-Y274 AromaticContact CG-CE1 3.84Å; H176-Y274 AromaticContact ND1-CE1 3.76Å; A269-Y274 HydrophobicContact CB-CD2 4.26Å; A269-Y274 WeakPolarHBondContact O-CD2 3.19Å; A269-Y274 PolarHBondContact O-N 3.17Å; A269-Y274 VanDerWaalsContact O-N 3.07Å; M272-Y274 HydrophobicContact CB-CD2 3.63Å; M272-Y274 HydrophobicContact CB-CE2 3.49Å; M272-Y274 VanDerWaalsContact CB-CE2 3.49Å; M272-Y274 HydrophobicContact CE-CE2 3.76Å; M272-Y274 HydrophobicContact CG-CE2 4.35Å; M272-Y274 HydrophobicContact SD-CE2 4.01Å
275F95.5Very high94.7Very high15 Ų1556.4 Ų56.47%0.06629%0.291CS..SBendtrans-113.4131.7175.1-71.3-71.5000110F238 I241 Q242 L245 F266 A269 R270 G273 I277F238-F275 HydrophobicContact CB-CE1 4.06Å; F238-F275 HydrophobicContact CB-CZ 3.75Å; F238-F275 HydrophobicContact CD1-CZ 4.04Å; F238-F275 AromaticContact CD2-CE2 3.99Å; F238-F275 HydrophobicContact CD2-CE2 3.99Å; F238-F275 AromaticContact CD2-CZ 3.77Å; F238-F275 HydrophobicContact CD2-CZ 3.77Å; F238-F275 HydrophobicContact CE2-CE2 4.28Å; F238-F275 HydrophobicContact CE2-CZ 4.42Å; F238-F275 HydrophobicContact CG-CE1 4.38Å; F238-F275 HydrophobicContact CG-CE2 4.24Å; F238-F275 AromaticContact CG-CZ 3.58Å; F238-F275 HydrophobicContact CG-CZ 3.58Å; F238-F275 WeakPolarHBondContact O-CE1 3.49Å; I241-F275 HydrophobicContact CB-CE1 3.85Å; I241-F275 HydrophobicContact CB-CZ 4.13Å; I241-F275 HydrophobicContact CD1-CZ 4.41Å; I241-F275 HydrophobicContact CG2-CD1 4.38Å; I241-F275 HydrophobicContact CG2-CE1 3.63Å; I241-F275 HydrophobicContact CG2-CZ 3.9Å; Q242-F275 HydrophobicContact CB-CD1 4.18Å; Q242-F275 HydrophobicContact CB-CE1 4.31Å; Q242-F275 VanDerWaalsContact OE1-CA 3.26Å; L245-F275 HydrophobicContact CD1-CD1 4.11Å; F266-F275 AromaticContact CD2-CD2 3.67Å; F266-F275 HydrophobicContact CD2-CD2 3.67Å; F266-F275 HydrophobicContact CD2-CE1 4.4Å; F266-F275 AromaticContact CD2-CE2 3.36Å; F266-F275 HydrophobicContact CD2-CE2 3.36Å; F266-F275 HydrophobicContact CD2-CG 4.31Å; F266-F275 AromaticContact CD2-CZ 3.78Å; F266-F275 HydrophobicContact CD2-CZ 3.78Å; F266-F275 HydrophobicContact CE2-CB 4.44Å; F266-F275 HydrophobicContact CE2-CD1 4.19Å; F266-F275 AromaticContact CE2-CD2 3.57Å; F266-F275 HydrophobicContact CE2-CD2 3.57Å; F266-F275 HydrophobicContact CE2-CE1 4.35Å; F266-F275 AromaticContact CE2-CE2 3.74Å; F266-F275 HydrophobicContact CE2-CE2 3.74Å; F266-F275 AromaticContact CE2-CG 3.82Å; F266-F275 HydrophobicContact CE2-CG 3.82Å; F266-F275 HydrophobicContact CE2-CZ 4.15Å; F266-F275 HydrophobicContact CG-CE2 4.34Å; A269-F275 HydrophobicContact CB-CD2 3.99Å; A269-F275 HydrophobicContact CB-CE2 3.65Å; R270-F275 HydrophobicContact CB-CD2 4.46Å; G273-F275 VanDerWaalsContact C-N 3.34Å; F275-I277 HydrophobicContact CB-CD1 3.85Å; F275-I277 HydrophobicContact CB-CG1 3.7Å
276D93.9Very high94.8Very high118 Ų11861 Ų6163%0.63132%0.318SS*.  trans-86.4113.4165.1-172.56.9000108.5Q242Q242-D276 PolarHBondContact NE2-O 3.22Å
277I95.8Very high94.8Very high39 Ų3964.7 Ų64.720%0.234%0.336CS..  trans-127.1107.2-171.9-47.7176000108.1L245 F266 R270 F275 L281 L282L245-I277 HydrophobicContact CD1-CG1 4.21Å; F266-I277 HydrophobicContact CE1-CD1 4.45Å; F266-I277 HydrophobicContact CE2-CD1 4.3Å; F266-I277 HydrophobicContact CZ-CD1 3.62Å; R270-I277 HydrophobicContact CB-CD1 4.27Å; R270-I277 HydrophobicContact CG-CD1 3.64Å; F275-I277 HydrophobicContact CB-CD1 3.85Å; F275-I277 HydrophobicContact CB-CG1 3.7Å; I277-L281 HydrophobicContact CG2-CB 4.29Å; I277-L281 HydrophobicContact CG2-CD2 4.37Å; I277-L282 HydrophobicContact CD1-CD1 4.16Å; I277-L282 HydrophobicContact CG2-CD1 4.09Å; I277-L282 HydrophobicContact CG2-CD2 4.21Å; I277-L282 HydrophobicContact CG2-CG 3.83Å
278P91.7Very high94.8Very high47 Ų4762 Ų6231%0.30532%0.321SS..  trans-51.8146170.7-29.235.8000112.2D280 L281P278-D280 PolarHBondContact O-N 3.2Å; P278-L281 HydrophobicContact CB-CB 4.4Å; P278-L281 HydrophobicContact CG-CD2 4.39Å; P278-L281 VanDerWaalsContact O-CB 3.28Å; P278-L281 WeakPolarHBondContact O-CB 3.35Å; P278-L281 PolarHBondContact O-N 2.83Å
279K90.9Very high94.7Very high181 Ų18166.7 Ų66.779%0.78735%0.347SS*.THydrogen-bonded Turntrans-57.5139.7180-163.8-169.6167.1-174.80110.2L281K279-L281 PolarHBondContact O-N 3.29Å; K279-L281 VanDerWaalsContact O-N 3.1Å
280D92.1Very high94.7Very high108 Ų10872.9 Ų72.958%0.57838%0.38SS*.THydrogen-bonded Turntrans61.913.7176.9-47.1-44.2000114.4K254 P278K254-D280 WeakPolarHBondContact CD-O 3.4Å; K254-D280 WeakPolarHBondContact CE-O 3.39Å; K254-D280 PolarHBondContact NZ-O 3.36Å; P278-D280 PolarHBondContact O-N 3.2Å
281L97Very high94.8Very high9 Ų970.6 Ų70.65%0.04737%0.372CS..  trans-70-36.3178.4-177.264.7000112.7L245 A248 R253 K254 V255 I277 P278 K279L245-L281 HydrophobicContact CB-CD2 4.08Å; L245-L281 HydrophobicContact CD2-CD2 4.01Å; A248-L281 HydrophobicContact CB-CD1 4.16Å; R253-L281 VanDerWaalsContact O-CD1 3.23Å; R253-L281 WeakPolarHBondContact O-CD1 3.46Å; K254-L281 CarbonylContact C-O 3.6Å; K254-L281 WeakPolarHBondContact CA-O 3.46Å; V255-L281 HydrophobicContact CG2-CD1 4.36Å; V255-L281 HydrophobicContact CG2-CG 4.25Å; V255-L281 PolarHBondContact N-O 2.85Å; I277-L281 HydrophobicContact CG2-CB 4.29Å; I277-L281 HydrophobicContact CG2-CD2 4.37Å; P278-L281 HydrophobicContact CB-CB 4.4Å; P278-L281 HydrophobicContact CG-CD2 4.39Å; P278-L281 VanDerWaalsContact O-CB 3.28Å; P278-L281 WeakPolarHBondContact O-CB 3.35Å; P278-L281 PolarHBondContact O-N 2.83Å; K279-L281 PolarHBondContact O-N 3.29Å; K279-L281 VanDerWaalsContact O-N 3.1Å
282L97.4Very high94.8Very high39 Ų3964.9 Ų64.920%0.20435%0.353CS..BIsolated β-bridgetrans-90.6137.9-174.1-55.8-174.4000111.7L245 V255 F257 F266 I277L245-L282 HydrophobicContact CD2-CD2 3.82Å; V255-L282 HydrophobicContact CB-CD2 4.02Å; V255-L282 HydrophobicContact CG1-CD2 4.44Å; V255-L282 WeakPolarHBondContact O-CA 3.4Å; F257-L282 HydrophobicContact CE2-CD1 4.37Å; F257-L282 HydrophobicContact CE2-CD2 3.83Å; F257-L282 HydrophobicContact CZ-CD2 4.49Å; F266-L282 HydrophobicContact CE1-CD1 3.73Å; F266-L282 HydrophobicContact CZ-CD1 3.87Å; I277-L282 HydrophobicContact CD1-CD1 4.16Å; I277-L282 HydrophobicContact CG2-CD1 4.09Å; I277-L282 HydrophobicContact CG2-CD2 4.21Å; I277-L282 HydrophobicContact CG2-CG 3.83Å
283I96.6Very high94.8Very high14 Ų1467.3 Ų67.37%0.07236%0.362CS..  trans-127.9148.1172.861.5174000110.1K254 V255 S256 V288 Y291 V296K254-I283 HydrophobicContact CB-CD1 3.7Å; K254-I283 HydrophobicContact CB-CG1 3.96Å; K254-I283 HydrophobicContact CB-CG2 3.97Å; K254-I283 HydrophobicContact CD-CG2 4.22Å; K254-I283 HydrophobicContact CG-CD1 4.41Å; K254-I283 HydrophobicContact CG-CG2 4.02Å; V255-I283 PolarHBondContact O-N 3.3Å; S256-I283 PolarHBondContact OG-O 3.47Å; I283-V288 HydrophobicContact CD1-CG2 4.05Å; I283-Y291 HydrophobicContact CB-CE2 4.29Å; I283-Y291 HydrophobicContact CD1-CD2 3.58Å; I283-Y291 HydrophobicContact CD1-CE2 3.73Å; I283-Y291 HydrophobicContact CD1-CG 4.19Å; I283-Y291 HydrophobicContact CG2-CE2 3.83Å; I283-V296 HydrophobicContact CD1-CG2 4.43Å
284P95Very high94.8Very high63 Ų6368.5 Ų68.541%0.40936%0.356SS..  trans-62.6148.8171.1-20.232.6000111.7T286 E287P284-T286 PolarHBondContact O-N 2.82Å; P284-T286 VanDerWaalsContact O-N 3.16Å; P284-E287 HydrophobicContact CB-CG 4.31Å; P284-E287 HydrophobicContact CG-CG 4.21Å; P284-E287 PolarHBondContact O-N 3.16Å
285I94.1Very high94.8Very high24 Ų2471.3 Ų71.312%0.12337%0.37CS..G310 helixtrans-58.6-32177.7-165.867.6000112.5S256 L258 E287 V288 I298 I321 M322S256-I285 WeakPolarHBondContact OG-CA 3.19Å; S256-I285 WeakPolarHBondContact OG-CB 3.38Å; S256-I285 WeakPolarHBondContact OG-CD1 3.47Å; S256-I285 PolarHBondContact OG-N 3.27Å; S256-I285 VanDerWaalsContact OG-N 3.16Å; L258-I285 HydrophobicContact CB-CD1 4.25Å; L258-I285 HydrophobicContact CD1-CD1 4.24Å; L258-I285 HydrophobicContact CD1-CG1 3.99Å; I285-E287 PolarHBondContact O-N 3.14Å; I285-V288 HydrophobicContact CD1-CG2 4.15Å; I285-V288 PolarHBondContact O-N 2.93Å; I285-I298 HydrophobicContact CD1-CG1 4.45Å; I285-I298 HydrophobicContact CD1-CG2 4.14Å; I285-I321 HydrophobicContact CG1-CG2 3.77Å; I285-I321 HydrophobicContact CG2-CG2 4Å; I285-M322 HydrophobicContact CD1-CE 3.74Å; I285-M322 HydrophobicContact CD1-SD 4.2Å; I285-M322 HydrophobicContact CG1-CE 4.36Å
286T93.6Very high94.9Very high112 Ų11270.6 Ų70.669%0.68737%0.367SS*.G310 helixtrans-70.4-13.1177.453.40000113.8P284P284-T286 PolarHBondContact O-N 2.82Å; P284-T286 VanDerWaalsContact O-N 3.16Å
287E94.7Very high95.1Very high80 Ų8065 Ų6537%0.37434%0.337SS..G310 helixtrans-103.1-4.8179-66.8-176.7-16100112.9P284 I285 D289 N290 Y291P284-E287 HydrophobicContact CB-CG 4.31Å; P284-E287 HydrophobicContact CG-CG 4.21Å; P284-E287 PolarHBondContact O-N 3.16Å; I285-E287 PolarHBondContact O-N 3.14Å; E287-D289 PolarHBondContact O-N 2.74Å; E287-N290 VanDerWaalsContact O-CB 3.3Å; E287-N290 WeakPolarHBondContact O-CB 3.21Å; E287-N290 PolarHBondContact O-N 3.37Å; E287-Y291 HydrophobicContact CB-CE2 4.48Å; E287-Y291 WeakPolarHBondContact O-CD2 3.39Å
288V94.8Very high95.2Very high2 Ų263.1 Ų63.11%0.01233%0.327CS..G310 helixtrans-54.6-39.8-177.3163.90000112.2I283 I285 N290 Y291 V296 I298 M322I283-V288 HydrophobicContact CD1-CG2 4.05Å; I285-V288 HydrophobicContact CD1-CG2 4.15Å; I285-V288 PolarHBondContact O-N 2.93Å; V288-N290 PolarHBondContact O-N 3.1Å; V288-Y291 PolarHBondContact O-N 2.83Å; V288-Y291 VanDerWaalsContact O-N 3.11Å; V288-V296 HydrophobicContact CG1-CG1 3.89Å; V288-V296 HydrophobicContact CG1-CG2 4.44Å; V288-V296 HydrophobicContact CG2-CG1 4.11Å; V288-I298 HydrophobicContact CG1-CD1 4.4Å; V288-M322 HydrophobicContact CB-CE 3.84Å; V288-M322 HydrophobicContact CG1-CE 3.57Å; V288-M322 HydrophobicContact CG2-CE 4.19Å
289D93.6Very high95.4Very high126 Ų12660.9 Ų60.967%0.67431%0.313SS*.G310 helixtrans-68.5-13.1-179-64.1-26.8000113.7E287 Y291E287-D289 PolarHBondContact O-N 2.74Å; D289-Y291 VanDerWaalsContact C-N 3.3Å
290N95.5Very high95.6Very high130 Ų13052.3 Ų52.370%0.69528%0.275SS*.G310 helixtrans-82-9.6175.3-60.3-35.1000112.9E287 V288E287-N290 VanDerWaalsContact O-CB 3.3Å; E287-N290 WeakPolarHBondContact O-CB 3.21Å; E287-N290 PolarHBondContact O-N 3.37Å; V288-N290 PolarHBondContact O-N 3.1Å
291Y95.9Very high95.5Very high75 Ų7547.3 Ų47.329%0.29425%0.249SC..SBendtrans-106.5149.6-178.3-69.8-95.2000111.4K254 I283 E287 V288 D289 K293 V296K254-Y291 HydrophobicContact CG-CD1 3.97Å; K254-Y291 HydrophobicContact CG-CE1 3.81Å; I283-Y291 HydrophobicContact CB-CE2 4.29Å; I283-Y291 HydrophobicContact CD1-CD2 3.58Å; I283-Y291 HydrophobicContact CD1-CE2 3.73Å; I283-Y291 HydrophobicContact CD1-CG 4.19Å; I283-Y291 HydrophobicContact CG2-CE2 3.83Å; E287-Y291 HydrophobicContact CB-CE2 4.48Å; E287-Y291 WeakPolarHBondContact O-CD2 3.39Å; V288-Y291 PolarHBondContact O-N 2.83Å; V288-Y291 VanDerWaalsContact O-N 3.11Å; D289-Y291 VanDerWaalsContact C-N 3.3Å; Y291-K293 PolarHBondContact O-N 3.34Å; Y291-V296 HydrophobicContact CG-CG2 4.44Å
292P96Very high94.8Very high60 Ų6047 Ų4739%0.3925%0.247SC..  trans-55138.7169.8-2434.4000111.2N294 E295P292-N294 VanDerWaalsContact CB-OD1 3.31Å; P292-N294 WeakPolarHBondContact CB-OD1 3.21Å; P292-N294 PolarHBondContact O-N 3.5Å; P292-N294 VanDerWaalsContact O-N 3.1Å; P292-E295 HydrophobicContact CB-CB 4.38Å; P292-E295 HydrophobicContact CB-CG 4.1Å; P292-E295 HydrophobicContact CG-CG 4.31Å; P292-E295 WeakPolarHBondContact O-CB 3.33Å; P292-E295 PolarHBondContact O-N 2.96Å
293K95.1Very high93.6Very high98 Ų9851.3 Ų51.343%0.42627%0.268SS..G310 helixtrans-53.9-37.7-176.5-64.3-165.6-175-163.80112.7G227 R228 Y291 E295 E325G227-K293 CarbonylContact C-O 3.58Å; R228-K293 WeakPolarHBondContact CA-O 3.49Å; R228-K293 HydrophobicContact CG-CB 3.82Å; R228-K293 HydrophobicContact CG-CD 4.42Å; R228-K293 HydrophobicContact CG-CG 4.05Å; R228-K293 PolarHBondContact N-O 3.25Å; R228-K293 VanDerWaalsContact N-O 3.14Å; Y291-K293 PolarHBondContact O-N 3.34Å; K293-E295 PolarHBondContact O-N 3.29Å; K293-E325 IonicContact NZ-OE2 3.84Å; K293-E325 PolarHBondContact NZ-OE2 3.1Å
294N95.7Very high92.3Very high79 Ų7954.6 Ų54.642%0.42228%0.283SS..G310 helixtrans-74.9-117968.1-63.6000114.6R226 R253 P292R226-N294 VanDerWaalsContact O-CB 3.22Å; R226-N294 WeakPolarHBondContact O-CB 3.33Å; R253-N294 PolarHBondContact NE-O 3.32Å; R253-N294 PolarHBondContact NH1-O 3.48Å; R253-N294 PolarHBondContact NH2-O 3.02Å; P292-N294 VanDerWaalsContact CB-OD1 3.31Å; P292-N294 WeakPolarHBondContact CB-OD1 3.21Å; P292-N294 PolarHBondContact O-N 3.5Å; P292-N294 VanDerWaalsContact O-N 3.1Å
295E96.3Very high91.3Very high78 Ų7851.8 Ų51.836%0.36427%0.266SS..G310 helixtrans-110.210.3179.6-66.4-176.3-171.500112.2R253 K254 P292 K293R253-E295 CarbonylContact C-O 3.14Å; R253-E295 VanDerWaalsContact CA-O 3.23Å; R253-E295 WeakPolarHBondContact CA-O 3.43Å; K254-E295 PolarHBondContact N-O 2.97Å; P292-E295 HydrophobicContact CB-CB 4.38Å; P292-E295 HydrophobicContact CB-CG 4.1Å; P292-E295 HydrophobicContact CG-CG 4.31Å; P292-E295 WeakPolarHBondContact O-CB 3.33Å; P292-E295 PolarHBondContact O-N 2.96Å; K293-E295 PolarHBondContact O-N 3.29Å
296V97.5Very high90.6Very high1 Ų152.9 Ų52.91%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-124.4138.9-176.7-175.70000112.2L229 R253 I283 V288 Y291 I298L229-V296 PolarHBondContact N-O 3.48Å; R253-V296 PolarHBondContact NH1-O 2.88Å; R253-V296 VanDerWaalsContact NH1-O 3.1Å; I283-V296 HydrophobicContact CD1-CG2 4.43Å; V288-V296 HydrophobicContact CG1-CG1 3.89Å; V288-V296 HydrophobicContact CG1-CG2 4.44Å; V288-V296 HydrophobicContact CG2-CG1 4.11Å; Y291-V296 HydrophobicContact CG-CG2 4.44Å; V296-I298 HydrophobicContact CG1-CD1 4.18Å; V296-I298 HydrophobicContact CG1-CG1 4.06Å
297I98.2Very high90.1Very high0 Ų047.5 Ų47.50%024%0.237CC..EExtended strand (participates in β ladder)trans-118.5133.7162-68168.1000108.6F222 L229 V231 V244 A248 R253 K254 V255 S256F222-I297 HydrophobicContact CD2-CD1 4.42Å; L229-I297 HydrophobicContact CB-CG1 3.98Å; L229-I297 HydrophobicContact CD2-CD1 4.11Å; L229-I297 HydrophobicContact CD2-CG1 3.95Å; L229-I297 HydrophobicContact CG-CG1 4.16Å; L229-I297 CarbonylContact O-C 3.56Å; L229-I297 VanDerWaalsContact O-CA 3.24Å; L229-I297 WeakPolarHBondContact O-CA 3.45Å; V231-I297 HydrophobicContact CG2-CG2 3.94Å; V244-I297 HydrophobicContact CG1-CG2 3.77Å; A248-I297 HydrophobicContact CB-CD1 3.7Å; R253-I297 HydrophobicContact CB-CD1 4.02Å; R253-I297 HydrophobicContact CB-CG1 4.11Å; K254-I297 PolarHBondContact O-N 2.79Å; V255-I297 WeakPolarHBondContact CA-O 3.36Å; V255-I297 HydrophobicContact CG2-CB 4.4Å; S256-I297 PolarHBondContact N-O 2.98Å
298I97.5Very high89.7Confident0 Ų044 Ų440%022%0.221CC..EExtended strand (participates in β ladder)trans-113.6122.5172-59.9125.1000108.3R228 L229 I230 V231 S256 L258 I285 V288 V296 A300 M322R228-I298 HydrophobicContact CB-CD1 4.5Å; L229-I298 PolarHBondContact O-N 3.14Å; I230-I298 CarbonylContact C-O 3.58Å; I230-I298 WeakPolarHBondContact CA-O 3.42Å; I230-I298 HydrophobicContact CG1-CD1 4.21Å; V231-I298 PolarHBondContact N-O 3.23Å; S256-I298 CarbonylContact O-C 3.47Å; S256-I298 WeakPolarHBondContact O-CA 3.48Å; L258-I298 HydrophobicContact CB-CG2 3.89Å; I285-I298 HydrophobicContact CD1-CG1 4.45Å; I285-I298 HydrophobicContact CD1-CG2 4.14Å; V288-I298 HydrophobicContact CG1-CD1 4.4Å; V296-I298 HydrophobicContact CG1-CD1 4.18Å; V296-I298 HydrophobicContact CG1-CG1 4.06Å; I298-A300 HydrophobicContact CG2-CB 4.43Å; I298-M322 HydrophobicContact CD1-CE 4.07Å; I298-M322 HydrophobicContact CD1-SD 3.48Å; I298-M322 WeakPolarHBondContact CD1-SD 3.32Å; I298-M322 HydrophobicContact CG1-CE 4.4Å; I298-M322 HydrophobicContact CG1-SD 4.01Å; I298-M322 HydrophobicContact CG2-SD 4.48Å
299I97.1Very high89.3Confident0 Ų047.5 Ų47.50%024%0.237CC..EExtended strand (participates in β ladder)trans-90.7114.5169-54178.8000107.6V231 I241 V244 V255 S256 F257 L258 L262V231-I299 CarbonylContact O-C 3.59Å; V231-I299 VanDerWaalsContact O-CA 3.27Å; V231-I299 WeakPolarHBondContact O-CA 3.5Å; I241-I299 HydrophobicContact CG2-CD1 4.18Å; V244-I299 HydrophobicContact CB-CD1 3.97Å; V244-I299 HydrophobicContact CG1-CD1 3.71Å; V244-I299 HydrophobicContact CG1-CG1 3.91Å; V255-I299 HydrophobicContact CG1-CD1 4.01Å; V255-I299 HydrophobicContact CG1-CG1 4.13Å; S256-I299 PolarHBondContact O-N 2.92Å; F257-I299 CarbonylContact C-O 3.58Å; F257-I299 WeakPolarHBondContact CA-O 3.28Å; F257-I299 HydrophobicContact CD1-CB 4.1Å; F257-I299 HydrophobicContact CD1-CD1 4.4Å; F257-I299 HydrophobicContact CE1-CB 4.34Å; F257-I299 HydrophobicContact CE1-CD1 3.78Å; F257-I299 HydrophobicContact CZ-CD1 4.32Å; L258-I299 PolarHBondContact N-O 3.02Å; L262-I299 HydrophobicContact CD1-CG2 4.5Å; L262-I299 HydrophobicContact CD2-CB 4.27Å; L262-I299 HydrophobicContact CD2-CG2 3.82Å; L262-I299 WeakPolarHBondContact CD2-O 3.49Å
300A94.5Very high89.2Confident0 Ų041.6 Ų41.60%021%0.206CC..EExtended strand (participates in β ladder)trans-118.4133.9-171.800000112.6I230 V231 L258 I298 M314I230-A300 HydrophobicContact CG2-CB 4.11Å; V231-A300 PolarHBondContact O-N 2.87Å; L258-A300 HydrophobicContact CB-CB 4.19Å; L258-A300 HydrophobicContact CD2-CB 4.2Å; L258-A300 WeakPolarHBondContact O-CA 3.14Å; I298-A300 HydrophobicContact CG2-CB 4.43Å; A300-M314 HydrophobicContact CB-CE 4.04Å
301T89.6Confident89.1Confident3 Ų335.4 Ų35.42%0.01817%0.173CC..  trans-136.9156.5173.257.50000111.2C233 A235 L258 L262 E306 A310C233-T301 WeakPolarHBondContact O-CG2 3.34Å; A235-T301 HydrophobicContact CB-CG2 4.24Å; L258-T301 PolarHBondContact O-N 3.14Å; L262-T301 HydrophobicContact CB-CG2 4.2Å; L262-T301 VanDerWaalsContact CB-OG1 3.23Å; L262-T301 WeakPolarHBondContact CB-OG1 3.49Å; L262-T301 HydrophobicContact CD2-CG2 3.98Å; T301-E306 CarbonylContact C-O 3.34Å; T301-E306 WeakPolarHBondContact CA-O 3.44Å; T301-A310 VanDerWaalsContact O-CB 3.22Å; T301-A310 WeakPolarHBondContact O-CB 3.17Å
302G82.3Confident88.9Confident2 Ų233 Ų332%0.02117%0.167CC..  trans-58.3177.3165.800000114.4Q304 G305 E306 E309G302-Q304 VanDerWaalsContact C-N 3.27Å; G302-Q304 PolarHBondContact O-N 3.16Å; G302-G305 PolarHBondContact O-N 2.99Å; G302-G305 VanDerWaalsContact O-N 3.08Å; G302-E306 PolarHBondContact N-O 3.27Å; G302-E309 WeakPolarHBondContact CA-OE2 3.31Å
303M71.5Confident88.8Confident130 Ų13033.2 Ų33.264%0.6416%0.163SC*.THydrogen-bonded Turntrans-62.3-38.5-176.4-168.6173.2-58.800111.6S261 G305 E309S261-M303 WeakPolarHBondContact CB-O 3.42Å; M303-G305 VanDerWaalsContact C-N 3.34Å; M303-E309 PolarHBondContact N-OE2 3.26Å
304Q70.5Confident88.8Confident84 Ų8428.6 Ų28.639%0.39314%0.143SC..THydrogen-bonded Turntrans-90.67178.1-66.6-172.4-23.400113.7F44 G302F44-Q304 HydrophobicContact CE1-CB 4.1Å; F44-Q304 HydrophobicContact CE1-CG 4.37Å; F44-Q304 HydrophobicContact CZ-CB 4.36Å; G302-Q304 VanDerWaalsContact C-N 3.27Å; G302-Q304 PolarHBondContact O-N 3.16Å
305G73Confident88.7Confident4 Ų425.2 Ų25.24%0.04113%0.126CC..SBendtrans88.37-177.700000114.4A235 G302 M303A235-G305 PolarHBondContact N-O 2.91Å; A235-G305 VanDerWaalsContact N-O 3.13Å; G302-G305 PolarHBondContact O-N 2.99Å; G302-G305 VanDerWaalsContact O-N 3.08Å; M303-G305 VanDerWaalsContact C-N 3.34Å
306E79.4Confident88.6Confident46 Ų4625 Ų2522%0.21513%0.125CC..  trans-68.4142.2175.9-73.6-55.9119.200112.3T301 G302 V308T301-E306 CarbonylContact C-O 3.34Å; T301-E306 WeakPolarHBondContact CA-O 3.44Å; G302-E306 PolarHBondContact N-O 3.27Å; E306-V308 PolarHBondContact O-N 3.12Å
307P83Confident88.4Confident0 Ų030.6 Ų30.60%015%0.151CC..THydrogen-bonded Turntrans-70.8-28.4-171.722.8-29.6000113.5S232 Y234 I334 M340S232-P307 WeakPolarHBondContact CB-O 3.31Å; S232-P307 VanDerWaalsContact OG-CA 3.25Å; S232-P307 WeakPolarHBondContact OG-CA 3.21Å; S232-P307 WeakPolarHBondContact OG-CB 3.39Å; S232-P307 PolarHBondContact OG-O 3.47Å; Y234-P307 HydrophobicContact CD1-CG 4.21Å; Y234-P307 VanDerWaalsContact CE1-CD 3.45Å; Y234-P307 HydrophobicContact CE1-CG 3.82Å; Y234-P307 HydrophobicContact CE2-CG 4.34Å; P307-I334 HydrophobicContact CB-CD1 4.02Å; P307-I334 HydrophobicContact CB-CG2 3.76Å; P307-I334 HydrophobicContact CG-CD1 3.75Å; P307-I334 HydrophobicContact CG-CG2 3.96Å; P307-M340 HydrophobicContact CG-CE 4.16Å
308V87.2Confident88.2Confident6 Ų637.4 Ų37.44%0.03618%0.181CC..THydrogen-bonded Turntrans-102.5-27.6-164.6-167.80000113.9E306 A310 L311 S312 M340 I343 I344 T347E306-V308 PolarHBondContact O-N 3.12Å; V308-A310 PolarHBondContact O-N 3.45Å; V308-L311 WeakPolarHBondContact O-CB 3.31Å; V308-L311 PolarHBondContact O-N 3.07Å; V308-L311 VanDerWaalsContact O-N 3.1Å; V308-S312 PolarHBondContact O-N 2.92Å; V308-M340 HydrophobicContact CG2-CE 4.14Å; V308-I343 HydrophobicContact CG1-CG2 4.24Å; V308-I344 HydrophobicContact CG2-CG1 3.77Å; V308-T347 HydrophobicContact CG1-CG2 3.54Å; V308-T347 WeakPolarHBondContact CG1-OG1 3.42Å
309E86.9Confident88Confident75 Ų7538.7 Ų38.735%0.3519%0.187SC..Hα-helixtrans-59.4-50.1-171.1-171.4-158.3165.900112.7G302 M303 L311 S312 Q313G302-E309 WeakPolarHBondContact CA-OE2 3.31Å; M303-E309 PolarHBondContact N-OE2 3.26Å; E309-L311 VanDerWaalsContact C-N 3.28Å; E309-L311 PolarHBondContact O-N 3.43Å; E309-S312 PolarHBondContact O-N 3.35Å; E309-Q313 WeakPolarHBondContact O-CG 3.27Å; E309-Q313 PolarHBondContact O-N 3.29Å; E309-Q313 PolarHBondContact OE1-NE2 2.81Å; E309-Q313 VanDerWaalsContact OE1-NE2 3.14Å
310A90.4Very high87.6Confident2 Ų248.8 Ų48.82%0.01723%0.23CC..Hα-helixtrans-62.5-37.9177.700000111.8T301 V308 S312 Q313 M314T301-A310 VanDerWaalsContact O-CB 3.22Å; T301-A310 WeakPolarHBondContact O-CB 3.17Å; V308-A310 PolarHBondContact O-N 3.45Å; A310-S312 PolarHBondContact O-N 2.85Å; A310-Q313 PolarHBondContact O-N 3.11Å; A310-M314 WeakPolarHBondContact O-CB 3.48Å; A310-M314 WeakPolarHBondContact O-CG 3.28Å; A310-M314 PolarHBondContact O-N 3.4Å
311L93.3Very high87.5Confident0 Ų053.7 Ų53.70%026%0.256CS..Hα-helixtrans-61.8-44.4177.2-62.4-178.6000111.7I230 V308 E309 M314 A315 V330 L332 T347 L351I230-L311 HydrophobicContact CG2-CD2 3.69Å; V308-L311 WeakPolarHBondContact O-CB 3.31Å; V308-L311 PolarHBondContact O-N 3.07Å; V308-L311 VanDerWaalsContact O-N 3.1Å; E309-L311 VanDerWaalsContact C-N 3.28Å; E309-L311 PolarHBondContact O-N 3.43Å; L311-M314 HydrophobicContact CD2-CE 3.5Å; L311-M314 VanDerWaalsContact CD2-CE 3.5Å; L311-M314 HydrophobicContact CG-CE 4.45Å; L311-M314 PolarHBondContact O-N 2.81Å; L311-A315 WeakPolarHBondContact O-CB 3.48Å; L311-A315 PolarHBondContact O-N 3.16Å; L311-V330 HydrophobicContact CD1-CG1 4.22Å; L311-V330 HydrophobicContact CD2-CG1 4.25Å; L311-L332 HydrophobicContact CD1-CD2 3.3Å; L311-T347 HydrophobicContact CB-CG2 3.81Å; L311-L351 HydrophobicContact CB-CD1 4.31Å; L311-L351 HydrophobicContact CB-CD2 4.36Å; L311-L351 HydrophobicContact CD1-CD1 4.35Å
312S92.9Very high87.6Confident25 Ų2554.2 Ų54.218%0.17526%0.258CS..Hα-helixtrans-63.7-44.2177.2-179.90000111.3V308 E309 A310 M314 A315 Q316 E350V308-S312 PolarHBondContact O-N 2.92Å; E309-S312 PolarHBondContact O-N 3.35Å; A310-S312 PolarHBondContact O-N 2.85Å; S312-M314 VanDerWaalsContact C-N 3.32Å; S312-M314 PolarHBondContact O-N 3.47Å; S312-A315 PolarHBondContact O-N 3.42Å; S312-Q316 WeakPolarHBondContact O-CB 3.42Å; S312-Q316 WeakPolarHBondContact O-CG 3.26Å; S312-Q316 PolarHBondContact O-N 3.13Å; S312-Q316 PolarHBondContact OG-NE2 3.29Å; S312-E350 PolarHBondContact OG-OE2 3.14Å
313Q92.9Very high88.2Confident65 Ų6556 Ų5630%0.30427%0.267SS..Hα-helixtrans-60.7-41.3175.9-66.6-177.72400112.3E309 A310 Q316 H317 K318 H319E309-Q313 WeakPolarHBondContact O-CG 3.27Å; E309-Q313 PolarHBondContact O-N 3.29Å; E309-Q313 PolarHBondContact OE1-NE2 2.81Å; E309-Q313 VanDerWaalsContact OE1-NE2 3.14Å; A310-Q313 PolarHBondContact O-N 3.11Å; Q313-Q316 PolarHBondContact O-N 2.98Å; Q313-H317 PolarHBondContact O-N 3.26Å; Q313-K318 PolarHBondContact O-N 3.28Å; Q313-H319 HydrophobicContact CB-CB 3.87Å; Q313-H319 PolarHBondContact O-N 2.68Å
314M94.7Very high89.4Confident0 Ų050 Ų500%024%0.237CC..Hα-helixtrans-67.4-39.2177.7-70.9-170.4-63.200112.3I230 L258 A300 A310 L311 S312 Q316 H317 H319 M322 I324I230-M314 HydrophobicContact CG2-CE 4.07Å; L258-M314 HydrophobicContact CD2-CE 4.41Å; L258-M314 HydrophobicContact CD2-SD 3.58Å; L258-M314 VanDerWaalsContact CD2-SD 3.58Å; A300-M314 HydrophobicContact CB-CE 4.04Å; A310-M314 WeakPolarHBondContact O-CB 3.48Å; A310-M314 WeakPolarHBondContact O-CG 3.28Å; A310-M314 PolarHBondContact O-N 3.4Å; L311-M314 HydrophobicContact CD2-CE 3.5Å; L311-M314 VanDerWaalsContact CD2-CE 3.5Å; L311-M314 HydrophobicContact CG-CE 4.45Å; L311-M314 PolarHBondContact O-N 2.81Å; S312-M314 VanDerWaalsContact C-N 3.32Å; S312-M314 PolarHBondContact O-N 3.47Å; M314-Q316 VanDerWaalsContact C-N 3.34Å; M314-H317 PolarHBondContact O-N 3.44Å; M314-H319 HydrophobicContact CB-CB 4.36Å; M314-H319 HydrophobicContact CG-CB 3.64Å; M314-M322 WeakPolarHBondContact CG-O 3.43Å; M314-I324 HydrophobicContact CB-CD1 4.36Å; M314-I324 HydrophobicContact CB-CG1 4Å; M314-I324 PolarHBondContact O-N 2.94Å
315A95.1Very high90.5Very high8 Ų849.3 Ų49.37%0.06623%0.234CC..Hα-helixtrans-66.3-36.5177.300000112.1L311 S312 H317 E350 L351L311-A315 WeakPolarHBondContact O-CB 3.48Å; L311-A315 PolarHBondContact O-N 3.16Å; S312-A315 PolarHBondContact O-N 3.42Å; A315-H317 PolarHBondContact O-N 3.24Å; A315-E350 HydrophobicContact CB-CB 3.72Å; A315-L351 HydrophobicContact CB-CD2 3.83Å; A315-L351 HydrophobicContact CB-CG 4.12Å
316Q94.3Very high91.5Very high74 Ų7457.3 Ų57.335%0.34627%0.271SS..THydrogen-bonded Turntrans-81.85.2177.1-65.2179.31100113.5S312 Q313 M314 K318 E350S312-Q316 WeakPolarHBondContact O-CB 3.42Å; S312-Q316 WeakPolarHBondContact O-CG 3.26Å; S312-Q316 PolarHBondContact O-N 3.13Å; S312-Q316 PolarHBondContact OG-NE2 3.29Å; Q313-Q316 PolarHBondContact O-N 2.98Å; M314-Q316 VanDerWaalsContact C-N 3.34Å; Q316-K318 HydrophobicContact CB-CD 4.07Å; Q316-K318 HydrophobicContact CB-CG 4.16Å; Q316-K318 PolarHBondContact O-N 3.05Å; Q316-E350 PolarHBondContact NE2-OE1 2.91Å; Q316-E350 PolarHBondContact NE2-OE2 3.06Å
317H93.4Very high92.1Very high119 Ų11957.2 Ų57.255%0.55128%0.282SS*.THydrogen-bonded Turntrans5531.7-173.7-63.6-76.4000114.5Q313 M314 A315 N323 I324Q313-H317 PolarHBondContact O-N 3.26Å; M314-H317 PolarHBondContact O-N 3.44Å; A315-H317 PolarHBondContact O-N 3.24Å; H317-N323 VanDerWaalsContact CA-OD1 3.27Å; H317-N323 WeakPolarHBondContact CA-OD1 3.49Å; H317-I324 PolarHBondContact CE1-O 3.44Å; H317-I324 VanDerWaalsContact CE1-O 3.23Å
318K93.6Very high92.8Very high143 Ų14357.2 Ų57.262%0.62228%0.282SS*.  trans-105.1-11.4-179.6-69.6176.5-173.8166.30113.1Q313 Q316 N323Q313-K318 PolarHBondContact O-N 3.28Å; Q316-K318 HydrophobicContact CB-CD 4.07Å; Q316-K318 HydrophobicContact CB-CG 4.16Å; Q316-K318 PolarHBondContact O-N 3.05Å; K318-N323 PolarHBondContact N-OD1 3.25Å
319H92.6Very high93.3Very high27 Ų2757.4 Ų57.413%0.12528%0.284CS..  trans-75.9130.3-177.9-172.2-92000110L258 Q313 M314 I321 M322 N323L258-H319 VanDerWaalsContact CD1-CE1 3.45Å; L258-H319 WeakPolarHBondContact CD1-CE1 3.36Å; Q313-H319 HydrophobicContact CB-CB 3.87Å; Q313-H319 PolarHBondContact O-N 2.68Å; M314-H319 HydrophobicContact CB-CB 4.36Å; M314-H319 HydrophobicContact CG-CB 3.64Å; H319-I321 VanDerWaalsContact C-N 3.33Å; H319-I321 PolarHBondContact O-N 2.96Å; H319-M322 VanDerWaalsContact CB-O 3.3Å; H319-M322 WeakPolarHBondContact CB-O 3.36Å; H319-M322 PolarHBondContact ND1-N 3.44Å; H319-M322 PolarHBondContact ND1-O 2.94Å; H319-N323 PolarHBondContact N-OD1 2.9Å; H319-N323 VanDerWaalsContact N-OD1 3.07Å; H319-N323 PolarHBondContact O-ND2 2.97Å; H319-N323 PolarHBondContact O-OD1 3.27Å
320K89.6Confident93.8Very high211 Ų21153.9 Ų53.992%0.91727%0.267SS*.SBendtrans-70.8-25.6-165.1-67.5-179.2179.4176.90114.6
321I91.3Very high94Very high104 Ų10454.4 Ų54.453%0.53327%0.269SS..SBendtrans-103.7-41.7-169.8-59.2175.2000111.3L258 I285 H319L258-I321 HydrophobicContact CD1-CB 4.24Å; L258-I321 HydrophobicContact CD1-CD1 4.18Å; L258-I321 HydrophobicContact CD1-CG2 4.3Å; I285-I321 HydrophobicContact CG1-CG2 3.77Å; I285-I321 HydrophobicContact CG2-CG2 4Å; H319-I321 VanDerWaalsContact C-N 3.33Å; H319-I321 PolarHBondContact O-N 2.96Å
322M91Very high94Very high13 Ų1355.3 Ų55.36%0.06427%0.274CS..  trans-152.4142.9-171.1-175.6171.5-76.900108.2I285 V288 I298 M314 H319I285-M322 HydrophobicContact CD1-CE 3.74Å; I285-M322 HydrophobicContact CD1-SD 4.2Å; I285-M322 HydrophobicContact CG1-CE 4.36Å; V288-M322 HydrophobicContact CB-CE 3.84Å; V288-M322 HydrophobicContact CG1-CE 3.57Å; V288-M322 HydrophobicContact CG2-CE 4.19Å; I298-M322 HydrophobicContact CD1-CE 4.07Å; I298-M322 HydrophobicContact CD1-SD 3.48Å; I298-M322 WeakPolarHBondContact CD1-SD 3.32Å; I298-M322 HydrophobicContact CG1-CE 4.4Å; I298-M322 HydrophobicContact CG1-SD 4.01Å; I298-M322 HydrophobicContact CG2-SD 4.48Å; M314-M322 WeakPolarHBondContact CG-O 3.43Å; H319-M322 VanDerWaalsContact CB-O 3.3Å; H319-M322 WeakPolarHBondContact CB-O 3.36Å; H319-M322 PolarHBondContact ND1-N 3.44Å; H319-M322 PolarHBondContact ND1-O 2.94Å
323N95.2Very high93.9Very high41 Ų4154.2 Ų54.222%0.21927%0.266CS..  trans-133.2164.8175.8-65.8-70.6000109.6R228 H317 K318 H319R228-N323 PolarHBondContact NH2-O 2.86Å; H317-N323 VanDerWaalsContact CA-OD1 3.27Å; H317-N323 WeakPolarHBondContact CA-OD1 3.49Å; K318-N323 PolarHBondContact N-OD1 3.25Å; H319-N323 PolarHBondContact N-OD1 2.9Å; H319-N323 VanDerWaalsContact N-OD1 3.07Å; H319-N323 PolarHBondContact O-ND2 2.97Å; H319-N323 PolarHBondContact O-OD1 3.27Å
324I96.6Very high93.5Very high2 Ų252 Ų521%0.0126%0.256CS..  trans-64.8138.4177.6-62.1-62.9000110.2I230 M314 H317 V330 L351 A354 A356I230-I324 HydrophobicContact CD1-CD1 3.43Å; I230-I324 VanDerWaalsContact CD1-CD1 3.43Å; M314-I324 HydrophobicContact CB-CD1 4.36Å; M314-I324 HydrophobicContact CB-CG1 4Å; M314-I324 PolarHBondContact O-N 2.94Å; H317-I324 PolarHBondContact CE1-O 3.44Å; H317-I324 VanDerWaalsContact CE1-O 3.23Å; I324-V330 HydrophobicContact CD1-CG2 4.22Å; I324-L351 HydrophobicContact CD1-CD2 3.65Å; I324-L351 HydrophobicContact CG1-CD2 3.68Å; I324-A354 HydrophobicContact CB-CB 3.94Å; I324-A354 HydrophobicContact CG2-CB 3.72Å; I324-A356 HydrophobicContact CG2-CB 3.76Å
325E94.4Very high92.7Very high71 Ų7154.2 Ų54.233%0.33227%0.27SS..  trans-120.5158171.3-68.7169-147.900110.8R228 K293 G327 D328R228-E325 VanDerWaalsContact CZ-CD 3.45Å; R228-E325 IonicContact CZ-OE1 3.14Å; R228-E325 VanDerWaalsContact CZ-OE1 3.29Å; R228-E325 IonicContact CZ-OE2 3.85Å; R228-E325 IonicContact NH1-OE1 2.84Å; R228-E325 PolarHBondContact NH1-OE1 3.38Å; R228-E325 IonicContact NH1-OE2 2.69Å; R228-E325 IonicContact NH2-OE1 3.99Å; R228-E325 PolarHBondContact NH2-OE1 3.2Å; R228-E325 VanDerWaalsContact NH2-OE1 3.14Å; R228-E325 IonicContact NH2-OE2 3.95Å; K293-E325 IonicContact NZ-OE2 3.84Å; K293-E325 PolarHBondContact NZ-OE2 3.1Å; E325-G327 PolarHBondContact O-N 3.49Å; E325-D328 PolarHBondContact N-OD2 2.85Å; E325-D328 WeakPolarHBondContact O-CB 3.25Å; E325-D328 PolarHBondContact O-N 3.11Å; E325-D328 VanDerWaalsContact O-N 3.11Å
326E94.1Very high91.5Very high172 Ų17256.1 Ų56.180%0.80429%0.286SS*.THydrogen-bonded Turntrans-58.5129172.2-169175-174.900110.8
327G92.5Very high90.4Very high44 Ų4454.8 Ų54.845%0.45429%0.285SS..THydrogen-bonded Turntrans92.3-4.2-177.800000114.9E325 G355E325-G327 PolarHBondContact O-N 3.49Å; G327-G355 PolarHBondContact N-O 3.24Å
328D97.1Very high89.3Confident0 Ų053.1 Ų53.10%029%0.291CS..  trans-63.8146.5168.1-73.9-16.9000110.8R228 I230 E325 A356 H357R228-D328 WeakPolarHBondContact CB-OD1 3.35Å; R228-D328 IonicContact CZ-OD1 2.72Å; R228-D328 IonicContact CZ-OD2 3.55Å; R228-D328 IonicContact NE-OD1 3.99Å; R228-D328 PolarHBondContact NE-OD1 2.92Å; R228-D328 IonicContact NE-OD2 2.92Å; R228-D328 IonicContact NH2-OD1 3.9Å; R228-D328 PolarHBondContact NH2-OD1 2.93Å; R228-D328 IonicContact NH2-OD2 2.75Å; R228-D328 PolarHBondContact NH2-OD2 2.72Å; I230-D328 HydrophobicContact CD1-CB 4.43Å; E325-D328 PolarHBondContact N-OD2 2.85Å; E325-D328 WeakPolarHBondContact O-CB 3.25Å; E325-D328 PolarHBondContact O-N 3.11Å; E325-D328 VanDerWaalsContact O-N 3.11Å; D328-A356 CarbonylContact O-C 3.51Å; D328-A356 WeakPolarHBondContact O-CA 3.44Å; D328-H357 PolarHBondContact O-N 2.77Å
329S98Very high88.2Confident10 Ų1052.1 Ų52.17%0.0729%0.293CS..EExtended strand (participates in β ladder)trans-114.9136.5170.5-62.10000110.4R228 L229 I230 H357R228-S329 PolarHBondContact O-N 3.3Å; L229-S329 CarbonylContact C-O 3.59Å; L229-S329 WeakPolarHBondContact CA-O 3.44Å; I230-S329 PolarHBondContact N-O 3.24Å; S329-H357 CarbonylContact C-O 3.6Å; S329-H357 VanDerWaalsContact CA-O 3.24Å; S329-H357 WeakPolarHBondContact CA-O 3.45Å
330V97Very high87.5Confident1 Ų151.8 Ų51.81%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-117.5133.2-178.1-178.60000109.9I230 L311 I324 L351 A356 H357 I358 I359I230-V330 HydrophobicContact CB-CG2 4.25Å; I230-V330 HydrophobicContact CD1-CG2 4.49Å; I230-V330 CarbonylContact O-C 3.45Å; I230-V330 VanDerWaalsContact O-CA 3.3Å; I230-V330 WeakPolarHBondContact O-CA 3.22Å; L311-V330 HydrophobicContact CD1-CG1 4.22Å; L311-V330 HydrophobicContact CD2-CG1 4.25Å; I324-V330 HydrophobicContact CD1-CG2 4.22Å; V330-L351 HydrophobicContact CG1-CD1 4.01Å; V330-L351 HydrophobicContact CG2-CD1 4.48Å; V330-L351 HydrophobicContact CG2-CD2 4.22Å; V330-A356 HydrophobicContact CG2-CB 3.87Å; V330-H357 PolarHBondContact N-O 3.37Å; V330-I358 HydrophobicContact CB-CD1 4.05Å; V330-I359 PolarHBondContact O-N 3.27Å
331F94.9Very high87.2Confident13 Ų1347.7 Ų47.76%0.05728%0.276CS..EExtended strand (participates in β ladder)trans-124.5122.1174-175-102.8000110.8M218 F222 L229 I230 V231 S232 A333 I359 N361M218-F331 HydrophobicContact CE-CE1 4.07Å; M218-F331 HydrophobicContact CG-CE1 3.8Å; M218-F331 HydrophobicContact CG-CZ 3.82Å; M218-F331 HydrophobicContact SD-CE1 4.15Å; F222-F331 HydrophobicContact CE1-CB 3.76Å; F222-F331 AromaticContact CE1-CD1 3.65Å; F222-F331 HydrophobicContact CE1-CD1 3.65Å; F222-F331 HydrophobicContact CE1-CD2 4.05Å; F222-F331 HydrophobicContact CE1-CE1 4.21Å; F222-F331 AromaticContact CE1-CG 3.55Å; F222-F331 HydrophobicContact CE1-CG 3.55Å; F222-F331 HydrophobicContact CZ-CB 4.28Å; F222-F331 AromaticContact CZ-CD1 3.71Å; F222-F331 HydrophobicContact CZ-CD1 3.71Å; F222-F331 HydrophobicContact CZ-CE1 4.24Å; F222-F331 HydrophobicContact CZ-CG 4.07Å; L229-F331 HydrophobicContact CD1-CB 4.31Å; I230-F331 PolarHBondContact O-N 3.5Å; V231-F331 WeakPolarHBondContact CA-O 3.29Å; V231-F331 HydrophobicContact CG1-CD1 4.25Å; S232-F331 PolarHBondContact N-O 3.44Å; F331-A333 HydrophobicContact CD1-CB 3.75Å; F331-A333 HydrophobicContact CE1-CB 3.58Å; F331-A333 PolarHBondContact O-N 3.05Å; F331-I359 HydrophobicContact CB-CB 4.37Å; F331-I359 HydrophobicContact CB-CD1 4.31Å; F331-I359 HydrophobicContact CD2-CB 3.89Å; F331-I359 HydrophobicContact CD2-CG2 3.65Å; F331-I359 HydrophobicContact CE2-CG2 4.22Å; F331-N361 WeakPolarHBondContact CE2-OD1 3.23Å; F331-N361 WeakPolarHBondContact CZ-OD1 3.23Å
332L92.4Very high87Confident18 Ų1847.6 Ų47.69%0.09428%0.28CS..EExtended strand (participates in β ladder)trans-90.398.4174.4-67.9-179.9000109.4L311 I334 I344 L348 N361L311-L332 HydrophobicContact CD1-CD2 3.3Å; L332-I334 HydrophobicContact CB-CG1 4.32Å; L332-I334 PolarHBondContact O-N 3.12Å; L332-I344 HydrophobicContact CD1-CG2 3.69Å; L332-L348 HydrophobicContact CD1-CD1 4.12Å; L332-L348 HydrophobicContact CD1-CD2 3.61Å; L332-L348 HydrophobicContact CD1-CG 3.97Å; L332-L348 HydrophobicContact CG-CD2 4.28Å; L332-N361 PolarHBondContact O-ND2 3.19Å
333A90.5Very high86.8Confident2 Ų250.5 Ų50.52%0.01730%0.295CS..  trans-86.150.6-179.700000112V231 S232 C233 R240 F331V231-A333 HydrophobicContact CG1-CB 4.01Å; S232-A333 WeakPolarHBondContact O-CA 3.42Å; S232-A333 VanDerWaalsContact O-CB 3.31Å; S232-A333 WeakPolarHBondContact O-CB 3.42Å; S232-A333 PolarHBondContact O-N 2.6Å; C233-A333 HydrophobicContact CB-CB 4.19Å; R240-A333 HydrophobicContact CG-CB 3.76Å; R240-A333 VanDerWaalsContact NH1-C 3.27Å; R240-A333 PolarHBondContact NH1-O 3.34Å; F331-A333 HydrophobicContact CD1-CB 3.75Å; F331-A333 HydrophobicContact CE1-CB 3.58Å; F331-A333 PolarHBondContact O-N 3.05Å
334I85.3Confident86.5Confident18 Ų1849.4 Ų49.49%0.09229%0.289CS..SBendtrans-132.4155.6-179.360.9170.9000111.1Y234 P307 L332 I344Y234-I334 HydrophobicContact CD2-CG2 3.89Å; Y234-I334 HydrophobicContact CE2-CB 4.16Å; Y234-I334 HydrophobicContact CE2-CG2 3.8Å; P307-I334 HydrophobicContact CB-CD1 4.02Å; P307-I334 HydrophobicContact CB-CG2 3.76Å; P307-I334 HydrophobicContact CG-CD1 3.75Å; P307-I334 HydrophobicContact CG-CG2 3.96Å; L332-I334 HydrophobicContact CB-CG1 4.32Å; L332-I334 PolarHBondContact O-N 3.12Å; I334-I344 HydrophobicContact CD1-CD1 3.78Å; I334-I344 HydrophobicContact CD1-CG1 4.4Å
335T77.6Confident86.2Confident48 Ų4851.4 Ų51.429%0.29431%0.306SS..PPolyproline II helixtrans-92.8119.9162.3-58.10000106.7S337 A367T335-S337 PolarHBondContact O-N 3.13Å; T335-A367 PolarHBondContact OG1-O 2.86Å
336A70.9Confident86.1Confident48 Ų4852.4 Ų52.440%0.39731%0.313SS..PPolyproline II helixtrans-68.3125.9-178.900000110.2E341 I344A336-E341 HydrophobicContact CB-CG 4.49Å; A336-I344 HydrophobicContact CB-CD1 3.62Å
337S70.5Confident86Confident46 Ų4644.5 Ų44.532%0.32228%0.277SS..PPolyproline II helixtrans-76.1154.6163.955.40000109.9T335 N339 M340 E341T335-S337 PolarHBondContact O-N 3.13Å; S337-N339 VanDerWaalsContact CB-OD1 3.26Å; S337-N339 WeakPolarHBondContact CB-OD1 3.08Å; S337-N339 PolarHBondContact O-N 3Å; S337-N339 PolarHBondContact OG-OD1 2.86Å; S337-M340 PolarHBondContact O-N 3.07Å; S337-M340 VanDerWaalsContact OG-CG 3.28Å; S337-M340 WeakPolarHBondContact OG-CG 3.38Å; S337-E341 PolarHBondContact O-N 3Å
338A70.9Confident86.1Confident83 Ų8344.5 Ų44.569%0.68627%0.266SS*.G310 helixtrans-57-37.2-17500000113.2M340A338-M340 VanDerWaalsContact C-N 3.31Å; A338-M340 PolarHBondContact O-N 2.88Å
339N69.8Low86Confident122 Ų12248.6 Ų48.665%0.65229%0.288SS*.G310 helixtrans-71.2-21.6177.762.3-16.9000113.7S337S337-N339 VanDerWaalsContact CB-OD1 3.26Å; S337-N339 WeakPolarHBondContact CB-OD1 3.08Å; S337-N339 PolarHBondContact O-N 3Å; S337-N339 PolarHBondContact OG-OD1 2.86Å
340M78.5Confident85.9Confident21 Ų2150.4 Ų50.410%0.10330%0.296CS..G310 helixtrans-93.6-9.2-178.5-67.6-173.784.300113.6Y234 P307 V308 S337 A338 V342 I343 I344Y234-M340 PolarHBondContact OH-SD 3.45Å; Y234-M340 VanDerWaalsContact OH-SD 3.38Å; P307-M340 HydrophobicContact CG-CE 4.16Å; V308-M340 HydrophobicContact CG2-CE 4.14Å; S337-M340 PolarHBondContact O-N 3.07Å; S337-M340 VanDerWaalsContact OG-CG 3.28Å; S337-M340 WeakPolarHBondContact OG-CG 3.38Å; A338-M340 VanDerWaalsContact C-N 3.31Å; A338-M340 PolarHBondContact O-N 2.88Å; M340-V342 VanDerWaalsContact C-N 3.33Å; M340-V342 PolarHBondContact O-N 2.98Å; M340-I343 PolarHBondContact O-N 2.97Å; M340-I344 HydrophobicContact CB-CD1 3.83Å; M340-I344 HydrophobicContact CB-CG1 4.31Å; M340-I344 WeakPolarHBondContact O-CB 3.48Å; M340-I344 VanDerWaalsContact O-CG1 3.28Å; M340-I344 WeakPolarHBondContact O-CG1 3.18Å; M340-I344 PolarHBondContact O-N 2.73Å
341E83Confident85.8Confident124 Ų12450.4 Ų50.458%0.57930%0.295SS*.Hα-helixtrans-57.3-44.1-172.9-69.5-168.416300112.8A336 S337 A345A336-E341 HydrophobicContact CB-CG 4.49Å; S337-E341 PolarHBondContact O-N 3Å; E341-A345 VanDerWaalsContact O-CB 3.27Å; E341-A345 WeakPolarHBondContact O-CB 3.42Å; E341-A345 PolarHBondContact O-N 2.8Å
342V86.4Confident85.9Confident102 Ų10253.8 Ų53.862%0.61832%0.317SS*.Hα-helixtrans-67.1-44.4179.71780000111M340 A345 N346M340-V342 VanDerWaalsContact C-N 3.33Å; M340-V342 PolarHBondContact O-N 2.98Å; V342-A345 PolarHBondContact O-N 2.76Å; V342-N346 WeakPolarHBondContact O-CB 3.48Å; V342-N346 VanDerWaalsContact O-CG 3.31Å; V342-N346 PolarHBondContact O-N 2.72Å; V342-N346 PolarHBondContact O-ND2 2.9Å
343I86.4Confident86Confident75 Ų7562.9 Ų62.939%0.38535%0.35SS..Hα-helixtrans-61.9-48.5179.1-61.4173.5000109.8V308 M340 A345 N346 T347V308-I343 HydrophobicContact CG1-CG2 4.24Å; M340-I343 PolarHBondContact O-N 2.97Å; I343-A345 PolarHBondContact O-N 3.08Å; I343-N346 PolarHBondContact O-N 3.11Å; I343-T347 PolarHBondContact O-N 3.28Å; I343-T347 PolarHBondContact O-OG1 2.76Å
344I88.9Confident86.3Confident17 Ų1763.7 Ų63.79%0.08736%0.357CS..Hα-helixtrans-59-48.2177.1-70.2165.4000110.4V308 L332 I334 A336 M340 N346 T347 L348V308-I344 HydrophobicContact CG2-CG1 3.77Å; L332-I344 HydrophobicContact CD1-CG2 3.69Å; I334-I344 HydrophobicContact CD1-CD1 3.78Å; I334-I344 HydrophobicContact CD1-CG1 4.4Å; A336-I344 HydrophobicContact CB-CD1 3.62Å; M340-I344 HydrophobicContact CB-CD1 3.83Å; M340-I344 HydrophobicContact CB-CG1 4.31Å; M340-I344 WeakPolarHBondContact O-CB 3.48Å; M340-I344 VanDerWaalsContact O-CG1 3.28Å; M340-I344 WeakPolarHBondContact O-CG1 3.18Å; M340-I344 PolarHBondContact O-N 2.73Å; I344-N346 VanDerWaalsContact C-N 3.33Å; I344-N346 PolarHBondContact O-N 3.46Å; I344-T347 PolarHBondContact O-N 3.38Å; I344-L348 HydrophobicContact CG2-CD1 3.96Å; I344-L348 HydrophobicContact CG2-CG 4.27Å; I344-L348 WeakPolarHBondContact O-CB 3.39Å; I344-L348 VanDerWaalsContact O-CG 3.27Å; I344-L348 WeakPolarHBondContact O-CG 3.32Å; I344-L348 PolarHBondContact O-N 2.76Å
345A90.8Very high86.7Confident45 Ų4564.3 Ų64.337%0.37237%0.367SS..Hα-helixtrans-60.7-42.6-179.700000112E341 V342 I343 L348 N349E341-A345 VanDerWaalsContact O-CB 3.27Å; E341-A345 WeakPolarHBondContact O-CB 3.42Å; E341-A345 PolarHBondContact O-N 2.8Å; V342-A345 PolarHBondContact O-N 2.76Å; I343-A345 PolarHBondContact O-N 3.08Å; A345-L348 PolarHBondContact O-N 3.05Å; A345-N349 PolarHBondContact O-N 2.99Å; A345-N349 PolarHBondContact O-ND2 3.19Å
346N92.6Very high87.7Confident91 Ų9162.4 Ų62.449%0.48736%0.356SS..Hα-helixtrans-63.8-46.8176.8-74.5-24.6000111.7V342 I343 I344 L348 N349 E350V342-N346 WeakPolarHBondContact O-CB 3.48Å; V342-N346 VanDerWaalsContact O-CG 3.31Å; V342-N346 PolarHBondContact O-N 2.72Å; V342-N346 PolarHBondContact O-ND2 2.9Å; I343-N346 PolarHBondContact O-N 3.11Å; I344-N346 VanDerWaalsContact C-N 3.33Å; I344-N346 PolarHBondContact O-N 3.46Å; N346-L348 VanDerWaalsContact C-N 3.34Å; N346-L348 PolarHBondContact O-N 3.38Å; N346-N349 WeakPolarHBondContact O-CB 3.46Å; N346-N349 PolarHBondContact O-N 3.38Å; N346-N349 VanDerWaalsContact O-N 3.14Å; N346-E350 WeakPolarHBondContact O-CG 3.36Å; N346-E350 PolarHBondContact O-N 3.19Å
347T93Very high88.9Confident7 Ų765.5 Ų65.54%0.04336%0.363CS..Hα-helixtrans-64.2-38.9177.6-58.60000112.2V308 L311 I343 I344 N349 E350 L351V308-T347 HydrophobicContact CG1-CG2 3.54Å; V308-T347 WeakPolarHBondContact CG1-OG1 3.42Å; L311-T347 HydrophobicContact CB-CG2 3.81Å; I343-T347 PolarHBondContact O-N 3.28Å; I343-T347 PolarHBondContact O-OG1 2.76Å; I344-T347 PolarHBondContact O-N 3.38Å; T347-N349 VanDerWaalsContact C-N 3.3Å; T347-N349 PolarHBondContact O-N 2.87Å; T347-E350 PolarHBondContact O-N 3.23Å; T347-L351 HydrophobicContact CG2-CD1 4.03Å; T347-L351 HydrophobicContact CG2-CG 4.27Å; T347-L351 WeakPolarHBondContact O-CB 3.03Å; T347-L351 WeakPolarHBondContact O-CG 3.35Å; T347-L351 PolarHBondContact O-N 3.3Å
348L93.1Very high90.1Very high43 Ų4365.3 Ų65.323%0.22536%0.358CS..Hα-helixtrans-59.6-41.1173.1-72.3178.8000111.9L332 I344 A345 N346 L351 V352 I358L332-L348 HydrophobicContact CD1-CD1 4.12Å; L332-L348 HydrophobicContact CD1-CD2 3.61Å; L332-L348 HydrophobicContact CD1-CG 3.97Å; L332-L348 HydrophobicContact CG-CD2 4.28Å; I344-L348 HydrophobicContact CG2-CD1 3.96Å; I344-L348 HydrophobicContact CG2-CG 4.27Å; I344-L348 WeakPolarHBondContact O-CB 3.39Å; I344-L348 VanDerWaalsContact O-CG 3.27Å; I344-L348 WeakPolarHBondContact O-CG 3.32Å; I344-L348 PolarHBondContact O-N 2.76Å; A345-L348 PolarHBondContact O-N 3.05Å; N346-L348 VanDerWaalsContact C-N 3.34Å; N346-L348 PolarHBondContact O-N 3.38Å; L348-L351 HydrophobicContact CD2-CD1 4.18Å; L348-L351 PolarHBondContact O-N 2.97Å; L348-V352 WeakPolarHBondContact O-CG2 3.34Å; L348-V352 PolarHBondContact O-N 3.16Å; L348-I358 HydrophobicContact CD2-CD1 3.85Å; L348-I358 HydrophobicContact CD2-CG1 4.08Å; L348-I358 HydrophobicContact CD2-CG2 3.68Å
349N95Very high91.2Very high87 Ų8762 Ų6247%0.46533%0.328SS..Hα-helixtrans-63.1-41.6175-74.2-39.5000112.2A345 N346 T347 R353A345-N349 PolarHBondContact O-N 2.99Å; A345-N349 PolarHBondContact O-ND2 3.19Å; N346-N349 WeakPolarHBondContact O-CB 3.46Å; N346-N349 PolarHBondContact O-N 3.38Å; N346-N349 VanDerWaalsContact O-N 3.14Å; T347-N349 VanDerWaalsContact C-N 3.3Å; T347-N349 PolarHBondContact O-N 2.87Å; N349-R353 VanDerWaalsContact O-CG 3.31Å; N349-R353 WeakPolarHBondContact O-CG 3.45Å; N349-R353 PolarHBondContact O-N 2.88Å
350E95.9Very high92.1Very high48 Ų4861.2 Ų61.222%0.22433%0.329CS..Hα-helixtrans-63.2-44.7175.9-66.9-178.8151.200111.6S312 A315 Q316 N346 T347 V352 R353 A354S312-E350 PolarHBondContact OG-OE2 3.14Å; A315-E350 HydrophobicContact CB-CB 3.72Å; Q316-E350 PolarHBondContact NE2-OE1 2.91Å; Q316-E350 PolarHBondContact NE2-OE2 3.06Å; N346-E350 WeakPolarHBondContact O-CG 3.36Å; N346-E350 PolarHBondContact O-N 3.19Å; T347-E350 PolarHBondContact O-N 3.23Å; E350-V352 PolarHBondContact O-N 3.44Å; E350-R353 WeakPolarHBondContact O-CB 3.34Å; E350-R353 PolarHBondContact O-N 3.48Å; E350-A354 PolarHBondContact O-N 3.44Å
351L96Very high92.2Very high0 Ų063.8 Ų63.80%034%0.344CS..Hα-helixtrans-60.3-45178-70.9166.1000111.6L311 A315 I324 V330 T347 L348 R353 A354 G355 A356 I358L311-L351 HydrophobicContact CB-CD1 4.31Å; L311-L351 HydrophobicContact CB-CD2 4.36Å; L311-L351 HydrophobicContact CD1-CD1 4.35Å; A315-L351 HydrophobicContact CB-CD2 3.83Å; A315-L351 HydrophobicContact CB-CG 4.12Å; I324-L351 HydrophobicContact CD1-CD2 3.65Å; I324-L351 HydrophobicContact CG1-CD2 3.68Å; V330-L351 HydrophobicContact CG1-CD1 4.01Å; V330-L351 HydrophobicContact CG2-CD1 4.48Å; V330-L351 HydrophobicContact CG2-CD2 4.22Å; T347-L351 HydrophobicContact CG2-CD1 4.03Å; T347-L351 HydrophobicContact CG2-CG 4.27Å; T347-L351 WeakPolarHBondContact O-CB 3.03Å; T347-L351 WeakPolarHBondContact O-CG 3.35Å; T347-L351 PolarHBondContact O-N 3.3Å; L348-L351 HydrophobicContact CD2-CD1 4.18Å; L348-L351 PolarHBondContact O-N 2.97Å; L351-R353 VanDerWaalsContact C-N 3.34Å; L351-R353 PolarHBondContact O-N 2.76Å; L351-A354 PolarHBondContact O-N 2.96Å; L351-G355 PolarHBondContact O-N 3.4Å; L351-A356 HydrophobicContact CB-CB 4.28Å; L351-A356 WeakPolarHBondContact O-CB 3.49Å; L351-A356 PolarHBondContact O-N 2.83Å; L351-I358 HydrophobicContact CB-CD1 3.8Å; L351-I358 HydrophobicContact CD1-CD1 4.1Å
352V96.1Very high92Very high84 Ų8461 Ų6151%0.50933%0.333SS..Hα-helixtrans-62.9-41.9176173.10000111L348 E350 A354 G355 I358L348-V352 WeakPolarHBondContact O-CG2 3.34Å; L348-V352 PolarHBondContact O-N 3.16Å; E350-V352 PolarHBondContact O-N 3.44Å; V352-A354 VanDerWaalsContact C-N 3.25Å; V352-A354 PolarHBondContact O-N 2.92Å; V352-G355 PolarHBondContact O-N 2.81Å; V352-I358 HydrophobicContact CG2-CD1 4.28Å; V352-I358 HydrophobicContact CG2-CG1 3.55Å
353R95.7Very high91.5Very high209 Ų20966.1 Ų66.179%0.78935%0.347SS*.Hα-helixtrans-62.4-32.9175.4-74.6175.2-173.3162.63.3112.6N349 E350 L351 G355N349-R353 VanDerWaalsContact O-CG 3.31Å; N349-R353 WeakPolarHBondContact O-CG 3.45Å; N349-R353 PolarHBondContact O-N 2.88Å; E350-R353 WeakPolarHBondContact O-CB 3.34Å; E350-R353 PolarHBondContact O-N 3.48Å; L351-R353 VanDerWaalsContact C-N 3.34Å; L351-R353 PolarHBondContact O-N 2.76Å; R353-G355 PolarHBondContact O-N 2.87Å
354A95.6Very high91.1Very high20 Ų2071.3 Ų71.317%0.16537%0.366CS..THydrogen-bonded Turntrans-77.4-2.4175.300000113.7I324 E350 L351 V352I324-A354 HydrophobicContact CB-CB 3.94Å; I324-A354 HydrophobicContact CG2-CB 3.72Å; E350-A354 PolarHBondContact O-N 3.44Å; L351-A354 PolarHBondContact O-N 2.96Å; V352-A354 VanDerWaalsContact C-N 3.25Å; V352-A354 PolarHBondContact O-N 2.92Å
355G94.8Very high90.8Very high30 Ų3072.4 Ų72.431%0.30937%0.372SS..THydrogen-bonded Turntrans94.910176.400000115.2G327 L351 V352 R353G327-G355 PolarHBondContact N-O 3.24Å; L351-G355 PolarHBondContact O-N 3.4Å; V352-G355 PolarHBondContact O-N 2.81Å; R353-G355 PolarHBondContact O-N 2.87Å
356A97.1Very high90.5Very high8 Ų871.3 Ų71.37%0.06636%0.359CS..PPolyproline II helixtrans-78.1142.5174.500000112.3I324 D328 V330 L351I324-A356 HydrophobicContact CG2-CB 3.76Å; D328-A356 CarbonylContact O-C 3.51Å; D328-A356 WeakPolarHBondContact O-CA 3.44Å; V330-A356 HydrophobicContact CG2-CB 3.87Å; L351-A356 HydrophobicContact CB-CB 4.28Å; L351-A356 WeakPolarHBondContact O-CB 3.49Å; L351-A356 PolarHBondContact O-N 2.83Å
357H97.1Very high90.1Very high114 Ų11467.6 Ų67.653%0.52834%0.341SS..EExtended strand (participates in β ladder)trans-87.9116.9167.6175.8-85.7000110.6D328 S329 V330 I359D328-H357 PolarHBondContact O-N 2.77Å; S329-H357 CarbonylContact C-O 3.6Å; S329-H357 VanDerWaalsContact CA-O 3.24Å; S329-H357 WeakPolarHBondContact CA-O 3.45Å; V330-H357 PolarHBondContact N-O 3.37Å; H357-I359 PolarHBondContact O-N 3.08Å
358I95.7Very high90Very high42 Ų4267.6 Ų67.622%0.21534%0.342CS..EExtended strand (participates in β ladder)trans-81.2120.7177.1-51.5-52.8000109.9V330 L348 L351 V352 P360V330-I358 HydrophobicContact CB-CD1 4.05Å; L348-I358 HydrophobicContact CD2-CD1 3.85Å; L348-I358 HydrophobicContact CD2-CG1 4.08Å; L348-I358 HydrophobicContact CD2-CG2 3.68Å; L351-I358 HydrophobicContact CB-CD1 3.8Å; L351-I358 HydrophobicContact CD1-CD1 4.1Å; V352-I358 HydrophobicContact CG2-CD1 4.28Å; V352-I358 HydrophobicContact CG2-CG1 3.55Å; I358-P360 WeakPolarHBondContact O-CD 3.48Å
359I94.1Very high90Very high13 Ų1366.6 Ų66.67%0.06734%0.338CS..PPolyproline II helixtrans-78.6119173.7-58.6179.6000108A221 F222 V225 L229 V330 F331 H357A221-I359 HydrophobicContact CB-CG2 3.81Å; F222-I359 HydrophobicContact CD1-CD1 4.49Å; V225-I359 HydrophobicContact CG2-CD1 3.47Å; V225-I359 VanDerWaalsContact CG2-CD1 3.47Å; L229-I359 HydrophobicContact CD1-CD1 3.72Å; V330-I359 PolarHBondContact O-N 3.27Å; F331-I359 HydrophobicContact CB-CB 4.37Å; F331-I359 HydrophobicContact CB-CD1 4.31Å; F331-I359 HydrophobicContact CD2-CB 3.89Å; F331-I359 HydrophobicContact CD2-CG2 3.65Å; F331-I359 HydrophobicContact CE2-CG2 4.22Å; H357-I359 PolarHBondContact O-N 3.08Å
360P87.7Confident90Very high105 Ų10563.7 Ų63.768%0.68232%0.322SS*.PPolyproline II helixtrans-70.9136.2-176.728-33.7000111.4I358I358-P360 WeakPolarHBondContact O-CD 3.48Å
361N81.2Confident90Very high75 Ų7561.5 Ų61.540%0.40131%0.312SS..PPolyproline II helixtrans-74.9144167.5-85-19000111.3F331 L332 K363F331-N361 WeakPolarHBondContact CE2-OD1 3.23Å; F331-N361 WeakPolarHBondContact CZ-OD1 3.23Å; L332-N361 PolarHBondContact O-ND2 3.19Å; N361-K363 PolarHBondContact O-N 3.23Å
362N78.8Confident90.1Very high66 Ų6661.5 Ų61.535%0.35331%0.312SS..  trans-73.7108.4170.9-178.9-2.5000109.3K364 I365N362-K364 PolarHBondContact O-N 3.18Å; N362-K364 WeakPolarHBondContact OD1-CB 3.33Å; N362-K364 PolarHBondContact OD1-N 2.88Å; N362-K364 VanDerWaalsContact OD1-N 3.07Å; N362-I365 HydrophobicContact CB-CD1 3.7Å; N362-I365 HydrophobicContact CB-CG1 3.89Å; N362-I365 WeakPolarHBondContact O-CB 3.12Å; N362-I365 PolarHBondContact O-N 3.1Å
363K76.3Confident90.2Very high209 Ų20959.8 Ų59.891%0.90930%0.299SS*.THydrogen-bonded Turntrans-58.9-15.2-179.5-62.7-171.8178.5-171.80114.6N361N361-K363 PolarHBondContact O-N 3.23Å
364K77.7Confident90.3Very high184 Ų18452.9 Ų52.980%0.828%0.275SS*.THydrogen-bonded Turntrans-82.2-17.6175.4-62.8-176.2177.7-177.90113.2N362N362-K364 PolarHBondContact O-N 3.18Å; N362-K364 WeakPolarHBondContact OD1-CB 3.33Å; N362-K364 PolarHBondContact OD1-N 2.88Å; N362-K364 VanDerWaalsContact OD1-N 3.07Å
365I82.5Confident90.4Very high40 Ų4052 Ų5221%0.20527%0.268CS..  trans-82.3121.3177.3-62.9175.9000107.6T209 I214 H217 N362 A367T209-I365 HydrophobicContact CG2-CG2 4.13Å; I214-I365 HydrophobicContact CD1-CG2 4.47Å; I214-I365 HydrophobicContact CG1-CG2 3.77Å; H217-I365 HydrophobicContact CB-CD1 3.62Å; H217-I365 WeakPolarHBondContact CD2-CD1 3.35Å; H217-I365 VanDerWaalsContact CG-CD1 3.45Å; N362-I365 HydrophobicContact CB-CD1 3.7Å; N362-I365 HydrophobicContact CB-CG1 3.89Å; N362-I365 WeakPolarHBondContact O-CB 3.12Å; N362-I365 PolarHBondContact O-N 3.1Å; I365-A367 HydrophobicContact CG2-CB 4.14Å
366H83.5Confident90.6Very high22 Ų2250.6 Ų50.610%0.10225%0.253CS..  trans-111.2108.5167.8-178.369.8000107.6E201 N208 T209 S368 C372E201-H366 IonicContact OE1-CE1 2.78Å; E201-H366 PolarHBondContact OE1-CE1 2.79Å; E201-H366 IonicContact OE1-NE2 3.42Å; E201-H366 IonicContact OE2-CE1 3.92Å; E201-H366 IonicContact OE2-NE2 2.79Å; N208-H366 PolarHBondContact OD1-CD2 3.3Å; T209-H366 VanDerWaalsContact CB-O 3.26Å; T209-H366 WeakPolarHBondContact CB-O 3.14Å; T209-H366 PolarHBondContact N-O 2.84Å; T209-H366 PolarHBondContact OG1-N 2.95Å; T209-H366 PolarHBondContact OG1-O 3.22Å; T209-H366 VanDerWaalsContact OG1-O 3.12Å; H366-S368 WeakPolarHBondContact NE2-CB 3.39Å; H366-C372 PolarHBondContact CD2-SG 2.96Å
367A84.8Confident90.6Very high13 Ų1352.1 Ų52.111%0.10726%0.258CS..  trans-115.761.1-173.400000109.1I214 T335 I365I214-A367 HydrophobicContact CD1-CB 3.33Å; I214-A367 HydrophobicContact CG1-CB 4.09Å; T335-A367 PolarHBondContact OG1-O 2.86Å; I365-A367 HydrophobicContact CG2-CB 4.14Å
368S91.1Very high90.7Very high8 Ų849.7 Ų49.76%0.05625%0.248CC..  trans-77.9158.4175.3-163.10000110.4K168 E201 N208 H366 H370K168-S368 WeakPolarHBondContact CD-O 3.44Å; K168-S368 PolarHBondContact NZ-O 2.73Å; E201-S368 VanDerWaalsContact CG-OG 3.32Å; E201-S368 WeakPolarHBondContact CG-OG 3.48Å; E201-S368 WeakPolarHBondContact OE1-CB 3.2Å; E201-S368 PolarHBondContact OE1-OG 2.88Å; N208-S368 WeakPolarHBondContact OD1-CA 3.42Å; N208-S368 VanDerWaalsContact OD1-CB 3.28Å; N208-S368 WeakPolarHBondContact OD1-CB 3.28Å; N208-S368 PolarHBondContact OD1-N 3.44Å; N208-S368 PolarHBondContact OD1-O 3.37Å; H366-S368 WeakPolarHBondContact NE2-CB 3.39Å; S368-H370 VanDerWaalsContact C-N 3.29Å; S368-H370 PolarHBondContact OG-N 2.86Å
369S92.5Very high90.8Very high21 Ų2147.7 Ų47.715%0.14724%0.238CC..SBendtrans-84.1-13.7168.1-49.90000111.2H144 S145H144-S369 WeakPolarHBondContact CE1-CB 3.36Å; H144-S369 WeakPolarHBondContact ND1-CB 3.44Å; H144-S369 PolarHBondContact ND1-O 2.79Å; S145-S369 VanDerWaalsContact CB-OG 3.26Å; S145-S369 WeakPolarHBondContact CB-OG 3.4Å; S145-S369 PolarHBondContact OG-OG 2.92Å
370H95.2Very high91Very high27 Ų2747.2 Ų47.213%0.12524%0.235CC..SBendtrans-111.3145.7-173.9-51.4-93.7000111.3E166 F167 D198 T200 E201 N208 S368E166-H370 IonicContact OE2-CE1 3.77Å; E166-H370 PolarHBondContact OE2-CE1 3.42Å; E166-H370 IonicContact OE2-ND1 2.71Å; E166-H370 IonicContact OE2-NE2 3.55Å; F167-H370 CarbonylContact O-C 3.55Å; F167-H370 WeakPolarHBondContact O-CA 3.42Å; D198-H370 IonicContact OD1-ND1 3.74Å; D198-H370 IonicContact OD2-CE1 2.85Å; D198-H370 IonicContact OD2-CG 3.85Å; D198-H370 IonicContact OD2-ND1 3.52Å; D198-H370 PolarHBondContact OD2-ND1 2.54Å; T200-H370 HydrophobicContact CG2-CB 4.34Å; T200-H370 PolarHBondContact OG1-ND1 2.62Å; E201-H370 HydrophobicContact CB-CB 4.31Å; E201-H370 HydrophobicContact CG-CB 3.83Å; N208-H370 PolarHBondContact ND2-O 3.14Å; S368-H370 VanDerWaalsContact C-N 3.29Å; S368-H370 PolarHBondContact OG-N 2.86Å
371G96.6Very high91.5Very high1 Ų146.4 Ų46.41%0.0123%0.226CC..  trans-66.1135-17700000113.4F167 E201 L376F167-G371 PolarHBondContact O-N 3.47Å; E201-G371 WeakPolarHBondContact CB-O 3.27Å; G371-L376 WeakPolarHBondContact O-CG 3.44Å
372C97.1Very high92.3Very high0 Ų044.3 Ų44.30%021%0.214CC..  trans-77.1177.7171.8-61.60000111.8K204 G206 H366 E374 E375 L376K204-C372 HydrophobicContact CB-CB 4.27Å; K204-C372 HydrophobicContact CG-CB 4.34Å; K204-C372 VanDerWaalsContact CG-SG 3.58Å; K204-C372 WeakPolarHBondContact O-CB 3.2Å; G206-C372 VanDerWaalsContact O-CB 3.22Å; G206-C372 WeakPolarHBondContact O-CB 3.41Å; H366-C372 PolarHBondContact CD2-SG 2.96Å; C372-E374 VanDerWaalsContact C-N 3.3Å; C372-E374 PolarHBondContact O-N 3.44Å; C372-E375 PolarHBondContact N-OE2 2.96Å; C372-E375 WeakPolarHBondContact O-CB 2.97Å; C372-E375 PolarHBondContact O-N 3.11Å; C372-L376 WeakPolarHBondContact O-CG 3.31Å; C372-L376 PolarHBondContact O-N 2.92Å
373M98.1Very high93.3Very high49 Ų4941.2 Ų41.224%0.24120%0.197CC..Hα-helixtrans-44.4-45.7-176-76.5179.6177.800115.2A202 K204 P205 K377 L404A202-M373 WeakPolarHBondContact O-CE 3.23Å; A202-M373 VanDerWaalsContact O-CG 3.32Å; A202-M373 WeakPolarHBondContact O-CG 3.16Å; K204-M373 WeakPolarHBondContact O-CB 3.37Å; K204-M373 WeakPolarHBondContact O-CG 3.33Å; K204-M373 PolarHBondContact O-N 3.21Å; P205-M373 HydrophobicContact CB-SD 4.15Å; M373-K377 WeakPolarHBondContact O-CB 3.11Å; M373-K377 WeakPolarHBondContact O-CE 3.38Å; M373-K377 WeakPolarHBondContact O-CG 3.34Å; M373-K377 PolarHBondContact O-N 3.29Å; M373-L404 HydrophobicContact CB-CD1 4.17Å; M373-L404 HydrophobicContact CB-CD2 4.06Å; M373-L404 HydrophobicContact CG-CD1 3.89Å; M373-L404 HydrophobicContact CG-CD2 3.88Å; M373-L404 HydrophobicContact CG-CG 4.46Å; M373-L404 HydrophobicContact SD-CD2 4.34Å
374E98Very high94.3Very high63 Ų6338.3 Ų38.329%0.29419%0.185SC..Hα-helixtrans-74.5-31.7-177.8-60.6-55.7137.700112.8G206 Y207 C372 K377 M378G206-E374 WeakPolarHBondContact O-CB 3.42Å; G206-E374 WeakPolarHBondContact O-CG 3.12Å; G206-E374 PolarHBondContact O-N 3.19Å; G206-E374 VanDerWaalsContact O-N 3.09Å; Y207-E374 HydrophobicContact CD1-CB 3.89Å; Y207-E374 HydrophobicContact CD2-CB 4.18Å; Y207-E374 HydrophobicContact CD2-CG 4.22Å; Y207-E374 HydrophobicContact CE1-CB 3.42Å; Y207-E374 VanDerWaalsContact CE1-CB 3.42Å; Y207-E374 HydrophobicContact CE1-CG 4.35Å; Y207-E374 HydrophobicContact CE2-CB 3.73Å; Y207-E374 HydrophobicContact CE2-CG 3.72Å; Y207-E374 HydrophobicContact CG-CB 4.24Å; C372-E374 VanDerWaalsContact C-N 3.3Å; C372-E374 PolarHBondContact O-N 3.44Å; E374-K377 VanDerWaalsContact CD-CE 3.43Å; E374-K377 VanDerWaalsContact OE1-CE 3.27Å; E374-K377 WeakPolarHBondContact OE1-CE 3.43Å; E374-K377 IonicContact OE1-NZ 3.48Å; E374-K377 PolarHBondContact OE1-NZ 2.89Å; E374-K377 WeakPolarHBondContact OE2-CE 3.47Å; E374-K377 IonicContact OE2-NZ 2.7Å; E374-K377 PolarHBondContact OE2-NZ 3.05Å; E374-K377 VanDerWaalsContact OE2-NZ 3.12Å; E374-M378 WeakPolarHBondContact O-CB 3.48Å; E374-M378 PolarHBondContact O-N 3.46Å
375E98Very high95.3Very high1 Ų130 Ų301%0.00515%0.15CC..Hα-helixtrans-71-40.5175.9-64.3169.982.300110.9K168 F169 Y207 N208 C372 M378 M379K168-E375 WeakPolarHBondContact CB-OE1 3.26Å; F169-E375 HydrophobicContact CB-CG 4.2Å; F169-E375 HydrophobicContact CD2-CB 3.97Å; F169-E375 HydrophobicContact CD2-CG 4.46Å; F169-E375 WeakPolarHBondContact CE2-O 3.42Å; F169-E375 PolarHBondContact N-OE1 3.36Å; Y207-E375 HydrophobicContact CD1-CG 3.88Å; N208-E375 WeakPolarHBondContact CB-OE2 2.98Å; N208-E375 PolarHBondContact N-OE2 3.19Å; N208-E375 PolarHBondContact ND2-OE2 3.01Å; C372-E375 PolarHBondContact N-OE2 2.96Å; C372-E375 WeakPolarHBondContact O-CB 2.97Å; C372-E375 PolarHBondContact O-N 3.11Å; E375-M378 WeakPolarHBondContact O-CB 3.38Å; E375-M378 PolarHBondContact O-N 3.1Å; E375-M379 PolarHBondContact O-N 2.76Å
376L98.6Very high96Very high1 Ų131.9 Ų31.91%0.00516%0.157CC..Hα-helixtrans-63-47.2173.3-63.2-179.4000111.1F167 D198 A202 G371 C372 M378 M379 I380 L404F167-L376 HydrophobicContact CE1-CD2 4.18Å; F167-L376 HydrophobicContact CE2-CD2 4.49Å; F167-L376 HydrophobicContact CZ-CD2 3.72Å; D198-L376 WeakPolarHBondContact O-CD2 3.27Å; A202-L376 HydrophobicContact CB-CD1 3.67Å; G371-L376 WeakPolarHBondContact O-CG 3.44Å; C372-L376 WeakPolarHBondContact O-CG 3.31Å; C372-L376 PolarHBondContact O-N 2.92Å; L376-M378 VanDerWaalsContact C-N 3.28Å; L376-M378 PolarHBondContact O-N 2.86Å; L376-M379 WeakPolarHBondContact O-CB 3.33Å; L376-M379 PolarHBondContact O-N 3.09Å; L376-I380 WeakPolarHBondContact O-CG1 3.5Å; L376-I380 PolarHBondContact O-N 2.92Å; L376-L404 HydrophobicContact CB-CD1 4.23Å; L376-L404 HydrophobicContact CD1-CD1 3.94Å
377K98.6Very high96.8Very high40 Ų4031 Ų3117%0.17415%0.154CC..Hα-helixtrans-60.8-36.8173.6-75.7-175.4-64.1-177.70112.1M373 E374 I380 N381 L404M373-K377 WeakPolarHBondContact O-CB 3.11Å; M373-K377 WeakPolarHBondContact O-CE 3.38Å; M373-K377 WeakPolarHBondContact O-CG 3.34Å; M373-K377 PolarHBondContact O-N 3.29Å; E374-K377 VanDerWaalsContact CD-CE 3.43Å; E374-K377 VanDerWaalsContact OE1-CE 3.27Å; E374-K377 WeakPolarHBondContact OE1-CE 3.43Å; E374-K377 IonicContact OE1-NZ 3.48Å; E374-K377 PolarHBondContact OE1-NZ 2.89Å; E374-K377 WeakPolarHBondContact OE2-CE 3.47Å; E374-K377 IonicContact OE2-NZ 2.7Å; E374-K377 PolarHBondContact OE2-NZ 3.05Å; E374-K377 VanDerWaalsContact OE2-NZ 3.12Å; K377-I380 PolarHBondContact O-N 3.25Å; K377-N381 WeakPolarHBondContact O-CB 3.24Å; K377-N381 PolarHBondContact O-N 2.87Å; K377-N381 PolarHBondContact O-ND2 3.16Å; K377-L404 HydrophobicContact CD-CD2 4.18Å; K377-L404 HydrophobicContact CG-CB 4.14Å; K377-L404 HydrophobicContact CG-CD2 4.29Å
378M98.1Very high97.4Very high63 Ų6330.4 Ų30.431%0.3115%0.148SC..Hα-helixtrans-61.3-46.7174.8179.4173.517600111.2F169 I181 E374 E375 L376 I380 N381 I382F169-M378 HydrophobicContact CD1-CE 4.34Å; F169-M378 HydrophobicContact CD1-SD 4.4Å; F169-M378 HydrophobicContact CD2-CB 4.42Å; F169-M378 HydrophobicContact CD2-CG 4.38Å; F169-M378 HydrophobicContact CD2-SD 4.09Å; F169-M378 HydrophobicContact CE1-CE 4.27Å; F169-M378 HydrophobicContact CE2-CB 4.19Å; F169-M378 HydrophobicContact CE2-CG 4.05Å; F169-M378 HydrophobicContact CE2-SD 4.26Å; F169-M378 HydrophobicContact CG-SD 4.17Å; F169-M378 HydrophobicContact CZ-CG 4.34Å; F169-M378 HydrophobicContact CZ-SD 4.5Å; I181-M378 HydrophobicContact CD1-CE 4.27Å; E374-M378 WeakPolarHBondContact O-CB 3.48Å; E374-M378 PolarHBondContact O-N 3.46Å; E375-M378 WeakPolarHBondContact O-CB 3.38Å; E375-M378 PolarHBondContact O-N 3.1Å; L376-M378 VanDerWaalsContact C-N 3.28Å; L376-M378 PolarHBondContact O-N 2.86Å; M378-I380 VanDerWaalsContact C-N 3.34Å; M378-I380 PolarHBondContact O-N 2.92Å; M378-N381 PolarHBondContact O-N 3.34Å; M378-I382 HydrophobicContact CE-CD1 3.84Å; M378-I382 HydrophobicContact CG-CD1 3.77Å; M378-I382 HydrophobicContact CG-CG1 4.48Å; M378-I382 VanDerWaalsContact O-CG1 3.26Å; M378-I382 WeakPolarHBondContact O-CG1 3.27Å; M378-I382 PolarHBondContact O-N 2.84Å
379M98.5Very high97.8Very high0 Ų030.2 Ų30.20%015%0.147CC..Hα-helixtrans-57.4-47.4175.3-177.16175.700111.5T164 F167 F169 M184 L195 E375 L376 N381 I382 M383T164-M379 HydrophobicContact CG2-CE 4.42Å; T164-M379 HydrophobicContact CG2-CG 4.04Å; T164-M379 HydrophobicContact CG2-SD 4.31Å; F167-M379 HydrophobicContact CD1-CE 4.35Å; F167-M379 HydrophobicContact CD2-CE 3.63Å; F167-M379 HydrophobicContact CE1-CE 4.26Å; F167-M379 HydrophobicContact CE1-CG 4.35Å; F167-M379 HydrophobicContact CE2-CB 3.79Å; F167-M379 HydrophobicContact CE2-CE 3.54Å; F167-M379 HydrophobicContact CE2-CG 4.16Å; F167-M379 HydrophobicContact CG-CE 4.05Å; F167-M379 HydrophobicContact CZ-CB 3.6Å; F167-M379 HydrophobicContact CZ-CE 3.87Å; F167-M379 HydrophobicContact CZ-CG 3.74Å; F169-M379 HydrophobicContact CE2-CB 4.15Å; F169-M379 HydrophobicContact CE2-CE 4.18Å; F169-M379 HydrophobicContact CZ-CE 3.84Å; M184-M379 HydrophobicContact CE-CE 4.2Å; M184-M379 HydrophobicContact SD-CE 4.01Å; M184-M379 HydrophobicContact SD-SD 4.31Å; L195-M379 HydrophobicContact CD2-CG 4.49Å; E375-M379 PolarHBondContact O-N 2.76Å; L376-M379 WeakPolarHBondContact O-CB 3.33Å; L376-M379 PolarHBondContact O-N 3.09Å; M379-N381 PolarHBondContact O-N 3.42Å; M379-I382 PolarHBondContact O-N 2.89Å; M379-M383 HydrophobicContact CG-CG 4.37Å; M379-M383 WeakPolarHBondContact O-CB 3.42Å; M379-M383 VanDerWaalsContact O-CG 3.29Å; M379-M383 WeakPolarHBondContact O-CG 3.1Å; M379-M383 PolarHBondContact O-N 3.41Å; M379-M383 HydrophobicContact SD-CE 3.58Å; M379-M383 VanDerWaalsContact SD-CE 3.58Å; M379-M383 HydrophobicContact SD-CG 3.85Å
380I98.7Very high98.1Very high3 Ų329.2 Ų29.22%0.01514%0.14CC..Hα-helixtrans-62.7-43.2-179.7-62.7165.1000111.2L195 L376 K377 M378 I382 M383 K384 P385 F388 A405 A408 V410L195-I380 HydrophobicContact CD2-CG1 4.22Å; L376-I380 WeakPolarHBondContact O-CG1 3.5Å; L376-I380 PolarHBondContact O-N 2.92Å; K377-I380 PolarHBondContact O-N 3.25Å; M378-I380 VanDerWaalsContact C-N 3.34Å; M378-I380 PolarHBondContact O-N 2.92Å; I380-I382 PolarHBondContact O-N 3.14Å; I380-M383 PolarHBondContact O-N 3.37Å; I380-K384 PolarHBondContact O-N 3.1Å; I380-P385 HydrophobicContact CG2-CG 4.44Å; I380-P385 WeakPolarHBondContact O-CD 3.23Å; I380-F388 HydrophobicContact CD1-CE2 4.04Å; I380-F388 HydrophobicContact CD1-CZ 4.14Å; I380-F388 HydrophobicContact CG1-CE2 3.97Å; I380-A405 HydrophobicContact CD1-CB 3.93Å; I380-A408 HydrophobicContact CB-CB 4.17Å; I380-A408 HydrophobicContact CG2-CB 3.65Å; I380-V410 HydrophobicContact CG2-CG2 4.02Å
381N98.3Very high98.2Very high89 Ų8928 Ų2848%0.47613%0.134SC..Hα-helixtrans-67.9-32.2178.9-84.5-80.2000113.6K377 M378 M379 K384K377-N381 WeakPolarHBondContact O-CB 3.24Å; K377-N381 PolarHBondContact O-N 2.87Å; K377-N381 PolarHBondContact O-ND2 3.16Å; M378-N381 PolarHBondContact O-N 3.34Å; M379-N381 PolarHBondContact O-N 3.42Å; N381-K384 WeakPolarHBondContact O-CE 3.43Å; N381-K384 VanDerWaalsContact O-CG 3.26Å; N381-K384 WeakPolarHBondContact O-CG 3.4Å
382I98.2Very high98.2Very high31 Ų3128 Ų2816%0.15913%0.134CC..Hα-helixtrans-71.3-47.6174.7-68.1166.2000109.7F169 I181 M184 A185 M378 M379 I380F169-I382 HydrophobicContact CZ-CD1 4.29Å; I181-I382 HydrophobicContact CG2-CD1 4.37Å; M184-I382 VanDerWaalsContact C-CG2 3.5Å; M184-I382 HydrophobicContact CB-CG2 3.61Å; A185-I382 HydrophobicContact CB-CG2 4.37Å; M378-I382 HydrophobicContact CE-CD1 3.84Å; M378-I382 HydrophobicContact CG-CD1 3.77Å; M378-I382 HydrophobicContact CG-CG1 4.48Å; M378-I382 VanDerWaalsContact O-CG1 3.26Å; M378-I382 WeakPolarHBondContact O-CG1 3.27Å; M378-I382 PolarHBondContact O-N 2.84Å; M379-I382 PolarHBondContact O-N 2.89Å; I380-I382 PolarHBondContact O-N 3.14Å
383M98.2Very high98Very high0 Ų028 Ų280%013%0.134CC..Hα-helixtrans-76.5-30-173.8-67-63.4-18000113.7F140 V162 M184 I187 V192 L195 M379 I380F140-M383 HydrophobicContact CE1-CE 4.2Å; F140-M383 HydrophobicContact CE2-CE 3.89Å; F140-M383 HydrophobicContact CZ-CE 3.67Å; V162-M383 HydrophobicContact CG1-CE 4.25Å; V162-M383 HydrophobicContact CG1-SD 4.39Å; M184-M383 HydrophobicContact CB-CE 3.82Å; M184-M383 HydrophobicContact CG-CE 3.79Å; I187-M383 HydrophobicContact CG2-SD 4.09Å; V192-M383 WeakPolarHBondContact CB-O 3.48Å; V192-M383 HydrophobicContact CG2-CB 4.21Å; V192-M383 WeakPolarHBondContact CG2-O 3.5Å; V192-M383 HydrophobicContact CG2-SD 4.23Å; L195-M383 HydrophobicContact CD1-CB 4.46Å; L195-M383 HydrophobicContact CD1-CG 4.15Å; L195-M383 HydrophobicContact CD2-CB 4.07Å; L195-M383 HydrophobicContact CD2-CG 4.31Å; M379-M383 HydrophobicContact CG-CG 4.37Å; M379-M383 WeakPolarHBondContact O-CB 3.42Å; M379-M383 VanDerWaalsContact O-CG 3.29Å; M379-M383 WeakPolarHBondContact O-CG 3.1Å; M379-M383 PolarHBondContact O-N 3.41Å; M379-M383 HydrophobicContact SD-CE 3.58Å; M379-M383 VanDerWaalsContact SD-CE 3.58Å; M379-M383 HydrophobicContact SD-CG 3.85Å; I380-M383 PolarHBondContact O-N 3.37Å
384K97.9Very high97.8Very high148 Ų14829.5 Ų29.564%0.64314%0.14SC*.  trans47.355.5-178.4-57.2176.9-175.3167.10113.1I380 N381I380-K384 PolarHBondContact O-N 3.1Å; N381-K384 WeakPolarHBondContact O-CE 3.43Å; N381-K384 VanDerWaalsContact O-CG 3.26Å; N381-K384 WeakPolarHBondContact O-CG 3.4Å
385P98.6Very high97.7Very high11 Ų1132.2 Ų32.27%0.07115%0.151CC..  trans-69.9145.7-173.331.2-36.5000112.8V192 L195 I380 Y387 F388 V410V192-P385 HydrophobicContact CB-CB 4.44Å; V192-P385 HydrophobicContact CG1-CB 3.88Å; V192-P385 WeakPolarHBondContact O-CA 3.43Å; L195-P385 HydrophobicContact CB-CB 3.54Å; L195-P385 HydrophobicContact CB-CG 3.82Å; L195-P385 HydrophobicContact CD2-CG 4Å; I380-P385 HydrophobicContact CG2-CG 4.44Å; I380-P385 WeakPolarHBondContact O-CD 3.23Å; P385-Y387 WeakPolarHBondContact CB-O 3.3Å; P385-F388 HydrophobicContact CG-CD2 4.43Å; P385-V410 HydrophobicContact CG-CG2 4.02Å
386E98.2Very high97.6Very high78 Ų7836.8 Ų36.836%0.36417%0.171SC..SBendtrans-71.3-46.3169-176.4174.718000111.6V192 K414V192-E386 PolarHBondContact O-N 3.4Å; E386-K414 HydrophobicContact CG-CD 3.97Å; E386-K414 VanDerWaalsContact CG-NZ 3.29Å; E386-K414 WeakPolarHBondContact O-CB 3.17Å; E386-K414 WeakPolarHBondContact O-CD 3.25Å; E386-K414 IonicContact OE1-NZ 2.76Å; E386-K414 PolarHBondContact OE1-NZ 2.95Å
387Y98.8Very high97.5Very high5 Ų537.7 Ų37.72%0.0218%0.176CC..EExtended strand (participates in β ladder)trans-119.7147.6175.9-64.5-82.2000111.5F193 V194 L195 P385 K414 F416 D430 M431F193-Y387 HydrophobicContact CD2-CD2 4.18Å; F193-Y387 HydrophobicContact CD2-CE2 4.35Å; F193-Y387 AromaticContact CE2-CD2 3.79Å; F193-Y387 HydrophobicContact CE2-CD2 3.79Å; F193-Y387 AromaticContact CE2-CE2 3.58Å; F193-Y387 HydrophobicContact CE2-CE2 3.58Å; F193-Y387 HydrophobicContact CZ-CD2 4.14Å; F193-Y387 AromaticContact CZ-CE2 3.94Å; F193-Y387 HydrophobicContact CZ-CE2 3.94Å; F193-Y387 PolarHBondContact O-N 2.81Å; V194-Y387 CarbonylContact C-O 3.59Å; V194-Y387 WeakPolarHBondContact CA-O 3.28Å; L195-Y387 PolarHBondContact N-O 2.9Å; P385-Y387 WeakPolarHBondContact CB-O 3.3Å; Y387-K414 WeakPolarHBondContact CA-O 3.44Å; Y387-K414 HydrophobicContact CD1-CB 3.54Å; Y387-K414 HydrophobicContact CD1-CD 4.08Å; Y387-K414 HydrophobicContact CD1-CG 3.87Å; Y387-K414 HydrophobicContact CE1-CB 3.89Å; Y387-K414 HydrophobicContact CE1-CD 3.84Å; Y387-K414 HydrophobicContact CE1-CG 3.66Å; Y387-K414 HydrophobicContact CG-CB 4.38Å; Y387-F416 HydrophobicContact CD1-CD2 4.42Å; Y387-F416 AromaticContact CD1-CE2 3.5Å; Y387-F416 HydrophobicContact CD1-CE2 3.5Å; Y387-F416 VanDerWaalsContact CD1-CE2 3.5Å; Y387-F416 HydrophobicContact CD1-CZ 4.22Å; Y387-F416 HydrophobicContact CE1-CE2 4.06Å; Y387-F416 HydrophobicContact CE1-CZ 4.35Å; Y387-F416 HydrophobicContact CG-CE2 4.25Å; Y387-D430 WeakPolarHBondContact OH-CA 3.37Å; Y387-M431 HydrophobicContact CD1-CB 4.04Å; Y387-M431 HydrophobicContact CD1-CG 4.13Å; Y387-M431 HydrophobicContact CD2-CB 4.46Å; Y387-M431 HydrophobicContact CD2-CG 3.69Å; Y387-M431 HydrophobicContact CE1-CB 3.78Å; Y387-M431 HydrophobicContact CE1-CG 4.05Å; Y387-M431 HydrophobicContact CE2-CB 4.24Å; Y387-M431 HydrophobicContact CE2-CG 3.62Å; Y387-M431 HydrophobicContact CG-CB 4.36Å; Y387-M431 HydrophobicContact CG-CG 3.95Å; Y387-M431 PolarHBondContact OH-N 2.95Å
388F98.9Very high97.5Very high0 Ų035.9 Ų35.90%017%0.168CC..EExtended strand (participates in β ladder)trans-128.9135.6-177-174.4-101.3000111.9L195 I380 P385 P390 H401 A405 V410 K414 I415 F416L195-F388 HydrophobicContact CB-CD2 4.09Å; L195-F388 HydrophobicContact CD2-CD2 4.02Å; L195-F388 HydrophobicContact CD2-CE2 3.88Å; L195-F388 HydrophobicContact CG-CD2 4.19Å; L195-F388 HydrophobicContact CG-CE2 4.16Å; I380-F388 HydrophobicContact CD1-CE2 4.04Å; I380-F388 HydrophobicContact CD1-CZ 4.14Å; I380-F388 HydrophobicContact CG1-CE2 3.97Å; P385-F388 HydrophobicContact CG-CD2 4.43Å; F388-P390 HydrophobicContact CE1-CB 3.9Å; F388-P390 HydrophobicContact CE1-CG 4.25Å; F388-H401 AromaticContact CZ-CD2 3.66Å; F388-H401 AromaticContact CZ-CE1 3.65Å; F388-H401 AromaticContact CZ-CG 3.91Å; F388-H401 AromaticContact CZ-ND1 3.88Å; F388-H401 AromaticContact CZ-NE2 3.49Å; F388-H401 WeakPolarHBondContact CZ-NE2 3.38Å; F388-A405 HydrophobicContact CB-CB 4.43Å; F388-A405 HydrophobicContact CD1-CB 3.46Å; F388-A405 VanDerWaalsContact CD1-CB 3.46Å; F388-A405 HydrophobicContact CD2-CB 4.32Å; F388-A405 HydrophobicContact CE1-CB 3.7Å; F388-A405 HydrophobicContact CG-CB 3.82Å; F388-A405 HydrophobicContact CZ-CB 4.23Å; F388-V410 HydrophobicContact CB-CG1 3.98Å; F388-V410 HydrophobicContact CB-CG2 4.48Å; F388-K414 PolarHBondContact N-O 2.92Å; F388-I415 HydrophobicContact CB-CG1 4.3Å; F388-I415 HydrophobicContact CD1-CG2 4.09Å; F388-I415 WeakPolarHBondContact O-CA 3.5Å; F388-F416 PolarHBondContact O-N 2.99Å
389I98.8Very high97.5Very high4 Ų435.4 Ų35.42%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-130.1103.3179.4-51.5172.6000108.3I13 V194 L195 I196 S197 V391 F416 V418 I424I13-I389 HydrophobicContact CB-CD1 4.43Å; I13-I389 HydrophobicContact CD1-CD1 3.81Å; I13-I389 HydrophobicContact CG2-CD1 3.99Å; V194-I389 HydrophobicContact CG1-CD1 3.5Å; V194-I389 HydrophobicContact CG1-CG1 3.88Å; L195-I389 PolarHBondContact O-N 3.31Å; I196-I389 WeakPolarHBondContact CA-O 3.48Å; I196-I389 HydrophobicContact CG1-CB 4.41Å; I196-I389 HydrophobicContact CG1-CD1 4.17Å; S197-I389 PolarHBondContact N-O 2.65Å; I389-V391 HydrophobicContact CG2-CG1 3.93Å; I389-V391 PolarHBondContact O-N 3.03Å; I389-F416 HydrophobicContact CG1-CB 4.34Å; I389-V418 HydrophobicContact CG2-CG2 3.99Å; I389-I424 HydrophobicContact CD1-CD1 3.36Å; I389-I424 HydrophobicContact CG1-CD1 3.9Å; I389-I424 HydrophobicContact CG2-CD1 4.49Å
390P98.6Very high97.5Very high0 Ų036.1 Ų36.10%017%0.172CC..EExtended strand (participates in β ladder)trans-73.2124.4172.829.5-33.2000111S199 F388 Q398 H401 F416 L417S199-P390 WeakPolarHBondContact OG-CB 3.44Å; F388-P390 HydrophobicContact CE1-CB 3.9Å; F388-P390 HydrophobicContact CE1-CG 4.25Å; P390-Q398 HydrophobicContact CB-CB 4.16Å; P390-Q398 HydrophobicContact CB-CG 4.43Å; P390-Q398 HydrophobicContact CG-CB 4.1Å; P390-Q398 PolarHBondContact O-NE2 3.14Å; P390-H401 HydrophobicContact CB-CB 3.96Å; P390-F416 WeakPolarHBondContact CD-O 3.28Å; P390-L417 HydrophobicContact CG-CD2 3.73Å
391V98.4Very high97.5Very high1 Ų136 Ų361%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-129.3179.5178.1-560000110.6V19 Y27 Y163 I196 S197 D198 S199 I389V19-V391 HydrophobicContact CG1-CB 4.18Å; V19-V391 HydrophobicContact CG1-CG1 3.88Å; Y27-V391 HydrophobicContact CD1-CG1 4.26Å; Y27-V391 HydrophobicContact CE1-CB 3.68Å; Y27-V391 HydrophobicContact CE1-CG1 3.69Å; Y27-V391 HydrophobicContact CE1-CG2 4.13Å; Y27-V391 HydrophobicContact CE2-CG2 4.29Å; Y27-V391 WeakPolarHBondContact OH-CB 3.23Å; Y163-V391 HydrophobicContact CE2-CG2 4.22Å; I196-V391 HydrophobicContact CG2-CB 4.26Å; I196-V391 HydrophobicContact CG2-CG1 3.6Å; I196-V391 HydrophobicContact CG2-CG2 3.59Å; S197-V391 PolarHBondContact O-N 2.79Å; S197-V391 VanDerWaalsContact O-O 3.14Å; D198-V391 CarbonylContact C-O 3.58Å; S199-V391 WeakPolarHBondContact CB-O 3.33Å; S199-V391 PolarHBondContact N-O 2.83Å; S199-V391 PolarHBondContact OG-N 2.86Å; S199-V391 PolarHBondContact OG-O 3.46Å; I389-V391 HydrophobicContact CG2-CG1 3.93Å; I389-V391 PolarHBondContact O-N 3.03Å
392Q94.7Very high97.5Very high2 Ų232.3 Ų32.31%0.00915%0.153CC..SBendtrans51.175.3179.9-175.964.5-39.900111.2G18 N25 E166 S199 T200G18-Q392 WeakPolarHBondContact O-CA 3.3Å; G18-Q392 PolarHBondContact O-N 2.89Å; N25-Q392 PolarHBondContact ND2-NE2 3.41Å; N25-Q392 PolarHBondContact OD1-NE2 2.88Å; N25-Q392 PolarHBondContact OD1-OE1 3.19Å; E166-Q392 HydrophobicContact CG-CG 4.25Å; E166-Q392 PolarHBondContact OE1-NE2 2.85Å; S199-Q392 CarbonylContact C-O 3.58Å; S199-Q392 PolarHBondContact N-O 2.83Å; T200-Q392 PolarHBondContact N-O 3.14Å; T200-Q392 VanDerWaalsContact N-O 3.08Å; T200-Q392 PolarHBondContact OG1-O 3.31Å
393G93.8Very high97.6Very high0 Ų037.1 Ų37.10%017%0.173CC..BIsolated β-bridgetrans165.3151-175.300000113.1G20 E21G20-G393 CarbonylContact C-O 3.57Å; G20-G393 PolarHBondContact N-O 2.91Å; E21-G393 PolarHBondContact N-O 3.34Å; E21-G393 VanDerWaalsContact N-O 3.16Å; E21-G393 CarbonylContact O-C 3.55Å; E21-G393 VanDerWaalsContact O-C 3.27Å; E21-G393 WeakPolarHBondContact O-CA 3.43Å; E21-G393 PolarHBondContact O-N 3.28Å
394E94.1Very high97.6Very high80 Ų8037.4 Ų37.437%0.37418%0.175SC..  trans-59.8160.3169.7-63.7178.7177.700111I22 K396 M397 Q398I22-E394 HydrophobicContact CG1-CG 4.42Å; E394-K396 HydrophobicContact CB-CG 4.35Å; E394-K396 PolarHBondContact O-N 3.17Å; E394-K396 VanDerWaalsContact O-N 3.11Å; E394-K396 WeakPolarHBondContact OE2-CE 3.31Å; E394-K396 IonicContact OE2-NZ 3.34Å; E394-K396 PolarHBondContact OE2-NZ 3.44Å; E394-M397 HydrophobicContact CB-CE 4.38Å; E394-M397 HydrophobicContact CB-CG 4.24Å; E394-M397 HydrophobicContact CB-SD 4.07Å; E394-M397 HydrophobicContact CG-CE 4.22Å; E394-M397 HydrophobicContact CG-SD 4.3Å; E394-M397 PolarHBondContact N-SD 2.65Å; E394-M397 VanDerWaalsContact N-SD 3.45Å; E394-M397 WeakPolarHBondContact O-CA 3.2Å; E394-M397 VanDerWaalsContact O-CB 3.29Å; E394-M397 WeakPolarHBondContact O-CB 3.31Å; E394-M397 PolarHBondContact O-N 2.79Å; E394-Q398 PolarHBondContact O-N 2.89Å
395F95.7Very high97.6Very high119 Ų11930.4 Ų30.452%0.52214%0.144SC..Hα-helixtrans-54.4-38.3-176.4-172.4-113.5000113.8M397 Q398 I399F395-M397 VanDerWaalsContact C-N 3.31Å; F395-M397 PolarHBondContact O-N 2.93Å; F395-Q398 PolarHBondContact O-N 2.71Å; F395-I399 HydrophobicContact CD1-CD1 3.75Å; F395-I399 HydrophobicContact CE1-CD1 3.33Å; F395-I399 HydrophobicContact CE1-CG1 4.24Å; F395-I399 HydrophobicContact CZ-CD1 3.76Å; F395-I399 HydrophobicContact CZ-CG1 4.29Å; F395-I399 WeakPolarHBondContact O-CG1 3.22Å; F395-I399 PolarHBondContact O-N 3.24Å
396K96Very high97.6Very high98 Ų9831.7 Ų31.743%0.42616%0.156SC..Hα-helixtrans-62.9-37175.368.8-178.5-177-1620112.6E203 E394 I399 A400E203-K396 WeakPolarHBondContact OE2-CD 3.39Å; E203-K396 WeakPolarHBondContact OE2-CE 3.46Å; E394-K396 HydrophobicContact CB-CG 4.35Å; E394-K396 PolarHBondContact O-N 3.17Å; E394-K396 VanDerWaalsContact O-N 3.11Å; E394-K396 WeakPolarHBondContact OE2-CE 3.31Å; E394-K396 IonicContact OE2-NZ 3.34Å; E394-K396 PolarHBondContact OE2-NZ 3.44Å; K396-I399 PolarHBondContact O-N 3.21Å; K396-A400 WeakPolarHBondContact O-CB 3.34Å; K396-A400 PolarHBondContact O-N 2.91Å
397M97.2Very high97.6Very high20 Ų2034.6 Ų34.610%0.09917%0.169CC..Hα-helixtrans-71.1-41.9179.6-58.4172.3178.300109.8I22 S199 A202 E394 F395 I399 A400 H401I22-M397 HydrophobicContact CD1-CE 3.96Å; I22-M397 HydrophobicContact CD1-SD 4.13Å; I22-M397 HydrophobicContact CG1-SD 4.39Å; S199-M397 WeakPolarHBondContact O-CB 3.4Å; A202-M397 WeakPolarHBondContact CB-O 3.37Å; E394-M397 HydrophobicContact CB-CE 4.38Å; E394-M397 HydrophobicContact CB-CG 4.24Å; E394-M397 HydrophobicContact CB-SD 4.07Å; E394-M397 HydrophobicContact CG-CE 4.22Å; E394-M397 HydrophobicContact CG-SD 4.3Å; E394-M397 PolarHBondContact N-SD 2.65Å; E394-M397 VanDerWaalsContact N-SD 3.45Å; E394-M397 WeakPolarHBondContact O-CA 3.2Å; E394-M397 VanDerWaalsContact O-CB 3.29Å; E394-M397 WeakPolarHBondContact O-CB 3.31Å; E394-M397 PolarHBondContact O-N 2.79Å; F395-M397 VanDerWaalsContact C-N 3.31Å; F395-M397 PolarHBondContact O-N 2.93Å; M397-I399 VanDerWaalsContact C-N 3.34Å; M397-I399 PolarHBondContact O-N 3.34Å; M397-A400 WeakPolarHBondContact O-CB 3.48Å; M397-A400 PolarHBondContact O-N 2.67Å; M397-H401 WeakPolarHBondContact O-CB 3.22Å; M397-H401 PolarHBondContact O-N 3.04Å
398Q98.3Very high97.6Very high1 Ų135.5 Ų35.51%0.00518%0.178CC..Hα-helixtrans-62.1-41.4174.2-64.3176.4-56.300111.7P390 E394 F395 H401 A402 L417P390-Q398 HydrophobicContact CB-CB 4.16Å; P390-Q398 HydrophobicContact CB-CG 4.43Å; P390-Q398 HydrophobicContact CG-CB 4.1Å; P390-Q398 PolarHBondContact O-NE2 3.14Å; E394-Q398 PolarHBondContact O-N 2.89Å; F395-Q398 PolarHBondContact O-N 2.71Å; Q398-H401 PolarHBondContact O-N 3.34Å; Q398-A402 WeakPolarHBondContact O-CB 3.45Å; Q398-A402 PolarHBondContact O-N 2.81Å; Q398-L417 HydrophobicContact CB-CD2 3.89Å
399I98.2Very high97.5Very high53 Ų5338.7 Ų38.727%0.27221%0.21SC..Hα-helixtrans-62.6-44.9172.9-74.1174.4000111.2F395 K396 M397 H401 A402 K403 L417F395-I399 HydrophobicContact CD1-CD1 3.75Å; F395-I399 HydrophobicContact CE1-CD1 3.33Å; F395-I399 HydrophobicContact CE1-CG1 4.24Å; F395-I399 HydrophobicContact CZ-CD1 3.76Å; F395-I399 HydrophobicContact CZ-CG1 4.29Å; F395-I399 WeakPolarHBondContact O-CG1 3.22Å; F395-I399 PolarHBondContact O-N 3.24Å; K396-I399 PolarHBondContact O-N 3.21Å; M397-I399 VanDerWaalsContact C-N 3.34Å; M397-I399 PolarHBondContact O-N 3.34Å; I399-H401 VanDerWaalsContact C-N 3.29Å; I399-H401 PolarHBondContact O-N 3.37Å; I399-A402 PolarHBondContact O-N 3.49Å; I399-K403 HydrophobicContact CG2-CD 4.45Å; I399-K403 WeakPolarHBondContact O-CG 3.39Å; I399-K403 PolarHBondContact O-N 3.35Å; I399-L417 HydrophobicContact CG1-CD1 3.97Å; I399-L417 HydrophobicContact CG1-CD2 4.48Å
400A98.4Very high97.5Very high15 Ų1539 Ų3912%0.12421%0.212CC..Hα-helixtrans-59.3-44.5177.400000110.6A202 E203 K396 M397 K403 L404A202-A400 HydrophobicContact CB-CB 4Å; E203-A400 HydrophobicContact CG-CB 3.76Å; K396-A400 WeakPolarHBondContact O-CB 3.34Å; K396-A400 PolarHBondContact O-N 2.91Å; M397-A400 WeakPolarHBondContact O-CB 3.48Å; M397-A400 PolarHBondContact O-N 2.67Å; A400-K403 WeakPolarHBondContact O-CB 3.49Å; A400-K403 PolarHBondContact O-N 3.14Å; A400-L404 WeakPolarHBondContact O-CG 3.3Å; A400-L404 PolarHBondContact O-N 3.07Å
401H98.7Very high97.4Very high0 Ų040.5 Ų40.50%023%0.225CC..Hα-helixtrans-67.5-38.5178.7-157.2174.5000112.8S197 D198 S199 A202 F388 P390 M397 Q398 I399 K403 L404 A405S197-H401 PolarHBondContact OG-CE1 3.42Å; D198-H401 PolarHBondContact O-CE1 3Å; D198-H401 PolarHBondContact O-ND1 3.14Å; D198-H401 VanDerWaalsContact O-ND1 3.16Å; S199-H401 WeakPolarHBondContact CA-ND1 3.22Å; S199-H401 PolarHBondContact OG-ND1 3.33Å; A202-H401 HydrophobicContact CB-CB 3.65Å; F388-H401 AromaticContact CZ-CD2 3.66Å; F388-H401 AromaticContact CZ-CE1 3.65Å; F388-H401 AromaticContact CZ-CG 3.91Å; F388-H401 AromaticContact CZ-ND1 3.88Å; F388-H401 AromaticContact CZ-NE2 3.49Å; F388-H401 WeakPolarHBondContact CZ-NE2 3.38Å; P390-H401 HydrophobicContact CB-CB 3.96Å; M397-H401 WeakPolarHBondContact O-CB 3.22Å; M397-H401 PolarHBondContact O-N 3.04Å; Q398-H401 PolarHBondContact O-N 3.34Å; I399-H401 VanDerWaalsContact C-N 3.29Å; I399-H401 PolarHBondContact O-N 3.37Å; H401-K403 VanDerWaalsContact C-N 3.27Å; H401-K403 PolarHBondContact O-N 3.05Å; H401-L404 WeakPolarHBondContact O-CB 3.15Å; H401-L404 PolarHBondContact O-N 3.38Å; H401-L404 VanDerWaalsContact O-N 3.16Å; H401-A405 PolarHBondContact O-N 3.17Å
402A98.7Very high97.4Very high13 Ų1344.9 Ų44.911%0.10725%0.254CS..Hα-helixtrans-58.3-39.6172.100000112Q398 I399 A405 A406 I415 L417Q398-A402 WeakPolarHBondContact O-CB 3.45Å; Q398-A402 PolarHBondContact O-N 2.81Å; I399-A402 PolarHBondContact O-N 3.49Å; A402-A405 PolarHBondContact O-N 2.77Å; A402-A406 PolarHBondContact O-N 2.96Å; A402-I415 HydrophobicContact CB-CG2 3.68Å; A402-I415 WeakPolarHBondContact O-CD1 3.27Å; A402-L417 HydrophobicContact CB-CD2 4.14Å
403K98.6Very high97.5Very high132 Ų13251.9 Ų51.957%0.57429%0.286SS*.Hα-helixtrans-64.7-44.2174.1-68171.1-176.8174.50111.7I399 A400 H401 A405 A406 E407I399-K403 HydrophobicContact CG2-CD 4.45Å; I399-K403 WeakPolarHBondContact O-CG 3.39Å; I399-K403 PolarHBondContact O-N 3.35Å; A400-K403 WeakPolarHBondContact O-CB 3.49Å; A400-K403 PolarHBondContact O-N 3.14Å; H401-K403 VanDerWaalsContact C-N 3.27Å; H401-K403 PolarHBondContact O-N 3.05Å; K403-A405 VanDerWaalsContact C-N 3.29Å; K403-A405 PolarHBondContact O-N 3.19Å; K403-A406 PolarHBondContact O-N 3.07Å; K403-E407 WeakPolarHBondContact O-CG 3.21Å; K403-E407 PolarHBondContact O-N 3.26Å
404L98.7Very high97.8Very high6 Ų654.4 Ų54.43%0.03130%0.297CS..Hα-helixtrans-60.3-39.1175.8-62.3173.8000112A202 M373 L376 K377 A400 H401 E407 A408A202-L404 HydrophobicContact CB-CD1 4.27Å; M373-L404 HydrophobicContact CB-CD1 4.17Å; M373-L404 HydrophobicContact CB-CD2 4.06Å; M373-L404 HydrophobicContact CG-CD1 3.89Å; M373-L404 HydrophobicContact CG-CD2 3.88Å; M373-L404 HydrophobicContact CG-CG 4.46Å; M373-L404 HydrophobicContact SD-CD2 4.34Å; L376-L404 HydrophobicContact CB-CD1 4.23Å; L376-L404 HydrophobicContact CD1-CD1 3.94Å; K377-L404 HydrophobicContact CD-CD2 4.18Å; K377-L404 HydrophobicContact CG-CB 4.14Å; K377-L404 HydrophobicContact CG-CD2 4.29Å; A400-L404 WeakPolarHBondContact O-CG 3.3Å; A400-L404 PolarHBondContact O-N 3.07Å; H401-L404 WeakPolarHBondContact O-CB 3.15Å; H401-L404 PolarHBondContact O-N 3.38Å; H401-L404 VanDerWaalsContact O-N 3.16Å; L404-E407 PolarHBondContact O-N 3.35Å; L404-A408 VanDerWaalsContact O-CB 3.28Å; L404-A408 WeakPolarHBondContact O-CB 3.24Å; L404-A408 PolarHBondContact O-N 3.42Å
405A98.8Very high98Very high0 Ų051.8 Ų51.80%029%0.286CS..Hα-helixtrans-65-42.3175.500000112.3I380 F388 H401 A402 K403 A408 G409 V410 I415I380-A405 HydrophobicContact CD1-CB 3.93Å; F388-A405 HydrophobicContact CB-CB 4.43Å; F388-A405 HydrophobicContact CD1-CB 3.46Å; F388-A405 VanDerWaalsContact CD1-CB 3.46Å; F388-A405 HydrophobicContact CD2-CB 4.32Å; F388-A405 HydrophobicContact CE1-CB 3.7Å; F388-A405 HydrophobicContact CG-CB 3.82Å; F388-A405 HydrophobicContact CZ-CB 4.23Å; H401-A405 PolarHBondContact O-N 3.17Å; A402-A405 PolarHBondContact O-N 2.77Å; K403-A405 VanDerWaalsContact C-N 3.29Å; K403-A405 PolarHBondContact O-N 3.19Å; A405-A408 CarbonylContact O-C 3.57Å; A405-A408 PolarHBondContact O-N 3.3Å; A405-G409 PolarHBondContact O-N 3.11Å; A405-G409 VanDerWaalsContact O-N 3.15Å; A405-V410 HydrophobicContact CB-CB 4.28Å; A405-V410 HydrophobicContact CB-CG2 4.19Å; A405-V410 WeakPolarHBondContact O-CB 3.41Å; A405-V410 PolarHBondContact O-N 2.81Å; A405-I415 HydrophobicContact CB-CD1 3.98Å
406A98.6Very high98.1Very high38 Ų3847.2 Ų47.231%0.31427%0.266SS..Hα-helixtrans-62.9-43.4173.900000112.3A402 K403 A408 G409 V410 P412 I415A402-A406 PolarHBondContact O-N 2.96Å; K403-A406 PolarHBondContact O-N 3.07Å; A406-A408 VanDerWaalsContact C-N 3.29Å; A406-A408 PolarHBondContact O-N 2.8Å; A406-G409 PolarHBondContact O-N 2.89Å; A406-G409 VanDerWaalsContact O-N 3.1Å; A406-V410 WeakPolarHBondContact CA-O 3.48Å; A406-P412 HydrophobicContact CB-CG 4.44Å; A406-I415 HydrophobicContact CB-CD1 4.03Å
407E97.8Very high98.2Very high139 Ų13945.8 Ų45.865%0.6526%0.262SS*.Hα-helixtrans-62.1-35.4174.5-72.9174.6-166.800112.6K403 L404 G409K403-E407 WeakPolarHBondContact O-CG 3.21Å; K403-E407 PolarHBondContact O-N 3.26Å; L404-E407 PolarHBondContact O-N 3.35Å; E407-G409 PolarHBondContact O-N 3.26Å
408A97.8Very high98.2Very high25 Ų2545.1 Ų45.121%0.20726%0.259CS..THydrogen-bonded Turntrans-79.3-1.5176.100000113.8I380 L404 A405 A406I380-A408 HydrophobicContact CB-CB 4.17Å; I380-A408 HydrophobicContact CG2-CB 3.65Å; L404-A408 VanDerWaalsContact O-CB 3.28Å; L404-A408 WeakPolarHBondContact O-CB 3.24Å; L404-A408 PolarHBondContact O-N 3.42Å; A405-A408 CarbonylContact O-C 3.57Å; A405-A408 PolarHBondContact O-N 3.3Å; A406-A408 VanDerWaalsContact C-N 3.29Å; A406-A408 PolarHBondContact O-N 2.8Å
409G97.3Very high98.1Very high66 Ų6650.8 Ų50.868%0.6829%0.286SS*.THydrogen-bonded Turntrans106.35.2170.700000116.3A405 A406 E407A405-G409 PolarHBondContact O-N 3.11Å; A405-G409 VanDerWaalsContact O-N 3.15Å; A406-G409 PolarHBondContact O-N 2.89Å; A406-G409 VanDerWaalsContact O-N 3.1Å; E407-G409 PolarHBondContact O-N 3.26Å
410V98.6Very high98.1Very high10 Ų1051.2 Ų51.26%0.06129%0.285CS..  trans-73.4128.8170.5-174.10000109I380 P385 F388 A405 A406 K414 I415I380-V410 HydrophobicContact CG2-CG2 4.02Å; P385-V410 HydrophobicContact CG-CG2 4.02Å; F388-V410 HydrophobicContact CB-CG1 3.98Å; F388-V410 HydrophobicContact CB-CG2 4.48Å; A405-V410 HydrophobicContact CB-CB 4.28Å; A405-V410 HydrophobicContact CB-CG2 4.19Å; A405-V410 WeakPolarHBondContact O-CB 3.41Å; A405-V410 PolarHBondContact O-N 2.81Å; A406-V410 WeakPolarHBondContact CA-O 3.48Å; V410-K414 HydrophobicContact CG1-CB 4.46Å; V410-I415 HydrophobicContact CB-CD1 4.33Å; V410-I415 HydrophobicContact CB-CG1 4.32Å; V410-I415 HydrophobicContact CG1-CD1 4.29Å; V410-I415 HydrophobicContact CG1-CG1 3.74Å
411A98.3Very high98Very high32 Ų3250.5 Ų50.526%0.26428%0.28SS..  trans-62.5132.1179.800000110.7E413 K414A411-E413 HydrophobicContact CB-CG 4.46Å; A411-E413 PolarHBondContact O-N 3.5Å; A411-E413 VanDerWaalsContact O-N 3.14Å; A411-K414 HydrophobicContact CB-CB 4.48Å; A411-K414 HydrophobicContact CB-CG 4.25Å; A411-K414 WeakPolarHBondContact O-CA 3.38Å; A411-K414 WeakPolarHBondContact O-CB 3.08Å; A411-K414 PolarHBondContact O-N 2.89Å
412P97.9Very high98Very high94 Ų9451.1 Ų51.161%0.6128%0.283SS*.G310 helixtrans-54.1-35.5-176.1-2936000114.6A406 K414 I415A406-P412 HydrophobicContact CB-CG 4.44Å; P412-K414 PolarHBondContact O-N 3.3Å; P412-I415 PolarHBondContact O-N 3.18Å
413E97.1Very high98Very high148 Ų14850.5 Ų50.569%0.69228%0.278SS*.G310 helixtrans-69.9-12176.466.4-87.3-159.200114.3A411A411-E413 HydrophobicContact CB-CG 4.46Å; A411-E413 PolarHBondContact O-N 3.5Å; A411-E413 VanDerWaalsContact O-N 3.14Å
414K98.2Very high98Very high54 Ų5444.3 Ų44.324%0.23525%0.251CS..G310 helixtrans-102.39.1175.4-62.3-161.8178.5-171.40112.9E386 Y387 F388 V410 A411 P412E386-K414 HydrophobicContact CG-CD 3.97Å; E386-K414 VanDerWaalsContact CG-NZ 3.29Å; E386-K414 WeakPolarHBondContact O-CB 3.17Å; E386-K414 WeakPolarHBondContact O-CD 3.25Å; E386-K414 IonicContact OE1-NZ 2.76Å; E386-K414 PolarHBondContact OE1-NZ 2.95Å; Y387-K414 WeakPolarHBondContact CA-O 3.44Å; Y387-K414 HydrophobicContact CD1-CB 3.54Å; Y387-K414 HydrophobicContact CD1-CD 4.08Å; Y387-K414 HydrophobicContact CD1-CG 3.87Å; Y387-K414 HydrophobicContact CE1-CB 3.89Å; Y387-K414 HydrophobicContact CE1-CD 3.84Å; Y387-K414 HydrophobicContact CE1-CG 3.66Å; Y387-K414 HydrophobicContact CG-CB 4.38Å; F388-K414 PolarHBondContact N-O 2.92Å; V410-K414 HydrophobicContact CG1-CB 4.46Å; A411-K414 HydrophobicContact CB-CB 4.48Å; A411-K414 HydrophobicContact CB-CG 4.25Å; A411-K414 WeakPolarHBondContact O-CA 3.38Å; A411-K414 WeakPolarHBondContact O-CB 3.08Å; A411-K414 PolarHBondContact O-N 2.89Å; P412-K414 PolarHBondContact O-N 3.3Å
415I98.7Very high97.9Very high25 Ų2545 Ų4513%0.12826%0.255CS..BIsolated β-bridgetrans-103.7119.7175.9-56.3174.5000108.9F388 A402 A405 A406 V410 P412F388-I415 HydrophobicContact CB-CG1 4.3Å; F388-I415 HydrophobicContact CD1-CG2 4.09Å; F388-I415 WeakPolarHBondContact O-CA 3.5Å; A402-I415 HydrophobicContact CB-CG2 3.68Å; A402-I415 WeakPolarHBondContact O-CD1 3.27Å; A405-I415 HydrophobicContact CB-CD1 3.98Å; A406-I415 HydrophobicContact CB-CD1 4.03Å; V410-I415 HydrophobicContact CB-CD1 4.33Å; V410-I415 HydrophobicContact CB-CG1 4.32Å; V410-I415 HydrophobicContact CG1-CD1 4.29Å; V410-I415 HydrophobicContact CG1-CG1 3.74Å; P412-I415 PolarHBondContact O-N 3.18Å
416F98.4Very high97.8Very high23 Ų2346.2 Ų46.210%0.10126%0.26CS..  trans-103.6108.9-179.2-64.9-80.9000111.2Y387 F388 I389 P390 V418 I424 M431 L433Y387-F416 HydrophobicContact CD1-CD2 4.42Å; Y387-F416 AromaticContact CD1-CE2 3.5Å; Y387-F416 HydrophobicContact CD1-CE2 3.5Å; Y387-F416 VanDerWaalsContact CD1-CE2 3.5Å; Y387-F416 HydrophobicContact CD1-CZ 4.22Å; Y387-F416 HydrophobicContact CE1-CE2 4.06Å; Y387-F416 HydrophobicContact CE1-CZ 4.35Å; Y387-F416 HydrophobicContact CG-CE2 4.25Å; F388-F416 PolarHBondContact O-N 2.99Å; I389-F416 HydrophobicContact CG1-CB 4.34Å; P390-F416 WeakPolarHBondContact CD-O 3.28Å; F416-V418 HydrophobicContact CB-CG1 4.12Å; F416-I424 HydrophobicContact CB-CD1 3.75Å; F416-I424 HydrophobicContact CB-CG1 4.49Å; F416-I424 HydrophobicContact CD1-CG2 4.26Å; F416-I424 HydrophobicContact CD2-CD1 4.24Å; F416-I424 HydrophobicContact CD2-CG2 4.17Å; F416-I424 HydrophobicContact CE1-CG2 4.17Å; F416-I424 HydrophobicContact CE2-CG2 4.05Å; F416-I424 HydrophobicContact CG-CD1 3.95Å; F416-I424 HydrophobicContact CG-CG1 4.42Å; F416-I424 HydrophobicContact CG-CG2 4.28Å; F416-I424 HydrophobicContact CZ-CG2 4.08Å; F416-M431 HydrophobicContact CE2-CB 3.58Å; F416-M431 HydrophobicContact CE2-CG 4.47Å; F416-M431 HydrophobicContact CZ-CB 3.54Å; F416-M431 WeakPolarHBondContact CZ-O 3.45Å; F416-L433 HydrophobicContact CD1-CB 4.32Å; F416-L433 HydrophobicContact CE1-CB 4.45Å
417L97.8Very high97.3Very high68 Ų6848.5 Ų48.536%0.35627%0.267SS..  trans-83.4118.7162.3-66.3170.3000107.9P390 Q398 I399 A402P390-L417 HydrophobicContact CG-CD2 3.73Å; Q398-L417 HydrophobicContact CB-CD2 3.89Å; I399-L417 HydrophobicContact CG1-CD1 3.97Å; I399-L417 HydrophobicContact CG1-CD2 4.48Å; A402-L417 HydrophobicContact CB-CD2 4.14Å
418V97.1Very high96.8Very high5 Ų544.2 Ų44.23%0.0326%0.26CS..  trans-125.4151.4-172.1-700000112P15 V19 I389 F416 D422 I424 L433P15-V418 HydrophobicContact CG-CB 4.27Å; P15-V418 HydrophobicContact CG-CG2 3.83Å; V19-V418 HydrophobicContact CG1-CG2 4.21Å; I389-V418 HydrophobicContact CG2-CG2 3.99Å; F416-V418 HydrophobicContact CB-CG1 4.12Å; V418-D422 HydrophobicContact CB-CB 4.15Å; V418-D422 HydrophobicContact CG1-CB 4.34Å; V418-I424 HydrophobicContact CG1-CD1 3.74Å; V418-I424 HydrophobicContact CG1-CG1 3.86Å; V418-L433 HydrophobicContact CG1-CD1 4.3Å
419E96.8Very high96.4Very high121 Ų12150.4 Ų50.457%0.56528%0.282SS*.  trans-101.3169.2170-61.1-178.9154.400111.4P15 G421 D422 K436P15-E419 WeakPolarHBondContact CG-O 3.47Å; E419-G421 PolarHBondContact O-N 3.36Å; E419-D422 PolarHBondContact N-OD2 3.41Å; E419-D422 VanDerWaalsContact O-CB 3.31Å; E419-D422 WeakPolarHBondContact O-CB 3.4Å; E419-D422 PolarHBondContact O-N 2.92Å; E419-K436 IonicContact OE2-NZ 2.65Å; E419-K436 PolarHBondContact OE2-NZ 3.45Å; E419-K436 VanDerWaalsContact OE2-NZ 3.12Å
420K97Very high96.3Very high61 Ų6150 Ų5027%0.26527%0.265SS..THydrogen-bonded Turntrans-57.7131.5173.3-71.3171.6-80.2-164.80110.1V19 E21 D422 S439V19-K420 HydrophobicContact CG2-CB 4.43Å; V19-K420 HydrophobicContact CG2-CG 3.71Å; E21-K420 IonicContact OE1-NZ 3.5Å; E21-K420 IonicContact OE2-NZ 3.55Å; E21-K420 PolarHBondContact OE2-NZ 3.35Å; K420-D422 VanDerWaalsContact C-N 3.27Å; K420-D422 PolarHBondContact O-N 3.47Å; K420-S439 PolarHBondContact O-OG 3.18Å; K420-S439 VanDerWaalsContact O-OG 3.1Å
421G97.7Very high96.3Very high1 Ų150 Ų501%0.0126%0.264CS..THydrogen-bonded Turntrans80.7-5.3179.600000115.4P15 E419 K436 V437 S439P15-G421 PolarHBondContact O-N 2.98Å; E419-G421 PolarHBondContact O-N 3.36Å; G421-K436 CarbonylContact O-C 3.56Å; G421-K436 VanDerWaalsContact O-CA 3.27Å; G421-K436 WeakPolarHBondContact O-CA 3.27Å; G421-V437 WeakPolarHBondContact O-CG2 3.37Å; G421-V437 PolarHBondContact O-N 3.02Å; G421-S439 VanDerWaalsContact CA-OG 3.28Å; G421-S439 WeakPolarHBondContact CA-OG 3.48Å; G421-S439 PolarHBondContact N-OG 2.92Å
422D98.3Very high96.2Very high13 Ų1351.2 Ų51.27%0.0727%0.265CS..EExtended strand (participates in β ladder)trans-61.7144.2170.9-82.6-7.9000111.2P15 V418 E419 K420 L433 K436P15-D422 WeakPolarHBondContact CD-O 3.42Å; V418-D422 HydrophobicContact CB-CB 4.15Å; V418-D422 HydrophobicContact CG1-CB 4.34Å; E419-D422 PolarHBondContact N-OD2 3.41Å; E419-D422 VanDerWaalsContact O-CB 3.31Å; E419-D422 WeakPolarHBondContact O-CB 3.4Å; E419-D422 PolarHBondContact O-N 2.92Å; K420-D422 VanDerWaalsContact C-N 3.27Å; K420-D422 PolarHBondContact O-N 3.47Å; D422-L433 HydrophobicContact CB-CD1 3.68Å; D422-K436 WeakPolarHBondContact OD1-CE 3.32Å; D422-K436 WeakPolarHBondContact OD1-CG 3.3Å; D422-K436 IonicContact OD1-NZ 3.04Å; D422-K436 PolarHBondContact OD1-NZ 3.01Å
423V98.5Very high96.1Very high0 Ų050.5 Ų50.50%026%0.256CS..EExtended strand (participates in β ladder)trans-118.5116.6178.9-1740000110.2R12 I14 N425 N434 E435 V437R12-V423 HydrophobicContact CB-CG1 4.31Å; I14-V423 HydrophobicContact CD1-CG1 4.24Å; I14-V423 HydrophobicContact CD1-CG2 4.1Å; I14-V423 HydrophobicContact CG1-CB 4.34Å; I14-V423 HydrophobicContact CG1-CG1 3.97Å; I14-V423 HydrophobicContact CG1-CG2 4.02Å; I14-V423 HydrophobicContact CG2-CG2 4.35Å; V423-N425 WeakPolarHBondContact CG1-ND2 3.41Å; V423-N425 VanDerWaalsContact CG1-OD1 3.32Å; V423-N425 WeakPolarHBondContact CG1-OD1 3.49Å; V423-N434 PolarHBondContact O-N 3.19Å; V423-E435 HydrophobicContact CB-CB 3.9Å; V423-E435 HydrophobicContact CB-CG 4.22Å; V423-E435 WeakPolarHBondContact CB-O 3.19Å; V423-E435 HydrophobicContact CG1-CB 4.49Å; V423-E435 HydrophobicContact CG2-CB 4.16Å; V423-E435 HydrophobicContact CG2-CG 3.95Å; V423-E435 PolarHBondContact N-O 3.28Å; V423-V437 HydrophobicContact CG2-CG1 3.7Å
424I98.5Very high96Very high1 Ų148.2 Ų48.21%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-91.1112169.2-46167.5000107.8R12 I13 I389 F416 V418 M431 I432 L433R12-I424 WeakPolarHBondContact CA-O 3.26Å; I13-I424 HydrophobicContact CB-CB 4.48Å; I13-I424 PolarHBondContact N-O 2.76Å; I13-I424 PolarHBondContact O-N 2.99Å; I389-I424 HydrophobicContact CD1-CD1 3.36Å; I389-I424 HydrophobicContact CG1-CD1 3.9Å; I389-I424 HydrophobicContact CG2-CD1 4.49Å; F416-I424 HydrophobicContact CB-CD1 3.75Å; F416-I424 HydrophobicContact CB-CG1 4.49Å; F416-I424 HydrophobicContact CD1-CG2 4.26Å; F416-I424 HydrophobicContact CD2-CD1 4.24Å; F416-I424 HydrophobicContact CD2-CG2 4.17Å; F416-I424 HydrophobicContact CE1-CG2 4.17Å; F416-I424 HydrophobicContact CE2-CG2 4.05Å; F416-I424 HydrophobicContact CG-CD1 3.95Å; F416-I424 HydrophobicContact CG-CG1 4.42Å; F416-I424 HydrophobicContact CG-CG2 4.28Å; F416-I424 HydrophobicContact CZ-CG2 4.08Å; V418-I424 HydrophobicContact CG1-CD1 3.74Å; V418-I424 HydrophobicContact CG1-CG1 3.86Å; I424-M431 HydrophobicContact CB-CE 4.13Å; I424-M431 HydrophobicContact CG2-CB 3.98Å; I424-M431 HydrophobicContact CG2-CE 3.45Å; I424-M431 VanDerWaalsContact CG2-CE 3.45Å; I424-I432 CarbonylContact C-O 3.56Å; I424-I432 WeakPolarHBondContact CA-O 3.34Å; I424-L433 HydrophobicContact CG1-CD1 4.33Å
425N97.8Very high95.9Very high21 Ų2149.4 Ų49.411%0.11226%0.255CS..EExtended strand (participates in β ladder)trans-106139.1-177.8-72.6-56.4000110.9R12 V423 M431 I432 N434 E435R12-N425 WeakPolarHBondContact CD-OD1 3.44Å; R12-N425 WeakPolarHBondContact CG-OD1 2.92Å; R12-N425 PolarHBondContact NE-OD1 3.49Å; V423-N425 WeakPolarHBondContact CG1-ND2 3.41Å; V423-N425 VanDerWaalsContact CG1-OD1 3.32Å; V423-N425 WeakPolarHBondContact CG1-OD1 3.49Å; N425-M431 CarbonylContact O-C 3.59Å; N425-M431 WeakPolarHBondContact O-CA 3.21Å; N425-I432 HydrophobicContact CB-CG1 4.4Å; N425-I432 PolarHBondContact N-O 3.5Å; N425-I432 WeakPolarHBondContact O-CG1 3.08Å; N425-I432 PolarHBondContact O-N 3.01Å; N425-N434 PolarHBondContact ND2-OD1 3.39Å; N425-E435 PolarHBondContact ND2-OE2 3.3Å
426Y96Very high95.9Very high25 Ų2554.2 Ų54.210%0.09828%0.275CS..EExtended strand (participates in β ladder)trans-85.3122.6166.4-173.2-117.1000110.7I11 Y158 F193 G428 K429 M431I11-Y426 PolarHBondContact O-N 2.89Å; Y158-Y426 HydrophobicContact CD1-CE1 4.37Å; Y158-Y426 HydrophobicContact CD2-CE1 4.29Å; Y158-Y426 AromaticContact CE1-CE1 3.75Å; Y158-Y426 HydrophobicContact CE1-CE1 3.75Å; Y158-Y426 AromaticContact CE1-CZ 3.82Å; Y158-Y426 WeakPolarHBondContact CE1-OH 3.38Å; Y158-Y426 HydrophobicContact CE2-CD1 4.1Å; Y158-Y426 AromaticContact CE2-CE1 3.66Å; Y158-Y426 HydrophobicContact CE2-CE1 3.66Å; Y158-Y426 AromaticContact CZ-CE1 3.36Å; Y158-Y426 AromaticContact CZ-CZ 3.94Å; F193-Y426 HydrophobicContact CE1-CD2 4.37Å; F193-Y426 HydrophobicContact CE2-CE2 4.45Å; F193-Y426 AromaticContact CZ-CD2 3.72Å; F193-Y426 HydrophobicContact CZ-CD2 3.72Å; F193-Y426 AromaticContact CZ-CE2 3.78Å; F193-Y426 HydrophobicContact CZ-CE2 3.78Å; F193-Y426 HydrophobicContact CZ-CG 4.44Å; Y426-G428 VanDerWaalsContact CZ-C 3.44Å; Y426-G428 PolarHBondContact OH-O 3.44Å; Y426-K429 WeakPolarHBondContact CE2-O 3.35Å; Y426-M431 VanDerWaalsContact CB-SD 3.58Å; Y426-M431 HydrophobicContact CD2-CG 4.35Å; Y426-M431 HydrophobicContact CD2-SD 3.82Å; Y426-M431 HydrophobicContact CG-SD 4.15Å
427N88.1Confident95.8Very high86 Ų8654.2 Ų54.246%0.4628%0.277SS..  trans-9413.3-17871.215000114.4K429 D430 I432N427-K429 VanDerWaalsContact C-N 3.32Å; N427-K429 WeakPolarHBondContact OD1-CA 3.49Å; N427-K429 WeakPolarHBondContact OD1-CB 3.39Å; N427-K429 PolarHBondContact OD1-N 3.44Å; N427-D430 VanDerWaalsContact CG-O 3.29Å; N427-D430 PolarHBondContact N-O 3.41Å; N427-D430 VanDerWaalsContact N-O 3.08Å; N427-D430 PolarHBondContact OD1-N 3.2Å; N427-D430 PolarHBondContact OD1-O 3.16Å; N427-D430 VanDerWaalsContact OD1-O 3.09Å; N427-I432 HydrophobicContact CB-CD1 4.07Å; N427-I432 HydrophobicContact CB-CG1 4.45Å
428G86.9Confident95.7Very high49 Ų4955.3 Ų55.351%0.50528%0.283SS..SBendtrans88.9-6-173.400000114.5Y426Y426-G428 VanDerWaalsContact CZ-C 3.44Å; Y426-G428 PolarHBondContact OH-O 3.44Å
429K90.5Very high95.6Very high155 Ų15556.6 Ų56.667%0.67429%0.292SS*.SBendtrans-133.4-57.8175.5-174.6-169.5167.9-160.40111.5Y426 N427Y426-K429 WeakPolarHBondContact CE2-O 3.35Å; N427-K429 VanDerWaalsContact C-N 3.32Å; N427-K429 WeakPolarHBondContact OD1-CA 3.49Å; N427-K429 WeakPolarHBondContact OD1-CB 3.39Å; N427-K429 PolarHBondContact OD1-N 3.44Å
430D94.7Very high95.5Very high59 Ų5952 Ų5232%0.31628%0.277SS..SBendtrans-126.8153.6-175.1-60.6-65.2000110.4Y387 N427Y387-D430 WeakPolarHBondContact OH-CA 3.37Å; N427-D430 VanDerWaalsContact CG-O 3.29Å; N427-D430 PolarHBondContact N-O 3.41Å; N427-D430 VanDerWaalsContact N-O 3.08Å; N427-D430 PolarHBondContact OD1-N 3.2Å; N427-D430 PolarHBondContact OD1-O 3.16Å; N427-D430 VanDerWaalsContact OD1-O 3.09Å
431M97.3Very high95.2Very high10 Ų1052.1 Ų52.15%0.04928%0.28CS..EExtended strand (participates in β ladder)trans-73.9135.5164.5-65.3-65.6-75.500109.3I13 F193 Y387 F416 I424 N425 Y426I13-M431 HydrophobicContact CD1-CE 4.15Å; F193-M431 HydrophobicContact CE1-CG 4.36Å; F193-M431 HydrophobicContact CE1-SD 3.85Å; F193-M431 HydrophobicContact CZ-CG 4.03Å; F193-M431 HydrophobicContact CZ-SD 3.96Å; Y387-M431 HydrophobicContact CD1-CB 4.04Å; Y387-M431 HydrophobicContact CD1-CG 4.13Å; Y387-M431 HydrophobicContact CD2-CB 4.46Å; Y387-M431 HydrophobicContact CD2-CG 3.69Å; Y387-M431 HydrophobicContact CE1-CB 3.78Å; Y387-M431 HydrophobicContact CE1-CG 4.05Å; Y387-M431 HydrophobicContact CE2-CB 4.24Å; Y387-M431 HydrophobicContact CE2-CG 3.62Å; Y387-M431 HydrophobicContact CG-CB 4.36Å; Y387-M431 HydrophobicContact CG-CG 3.95Å; Y387-M431 PolarHBondContact OH-N 2.95Å; F416-M431 HydrophobicContact CE2-CB 3.58Å; F416-M431 HydrophobicContact CE2-CG 4.47Å; F416-M431 HydrophobicContact CZ-CB 3.54Å; F416-M431 WeakPolarHBondContact CZ-O 3.45Å; I424-M431 HydrophobicContact CB-CE 4.13Å; I424-M431 HydrophobicContact CG2-CB 3.98Å; I424-M431 HydrophobicContact CG2-CE 3.45Å; I424-M431 VanDerWaalsContact CG2-CE 3.45Å; N425-M431 CarbonylContact O-C 3.59Å; N425-M431 WeakPolarHBondContact O-CA 3.21Å; Y426-M431 VanDerWaalsContact CB-SD 3.58Å; Y426-M431 HydrophobicContact CD2-CG 4.35Å; Y426-M431 HydrophobicContact CD2-SD 3.82Å; Y426-M431 HydrophobicContact CG-SD 4.15Å
432I96.8Very high95Very high57 Ų5754.2 Ų54.229%0.29229%0.291SS..EExtended strand (participates in β ladder)trans-134.9140.4179.358.5172.5000110.8I424 N425 N427 N434I424-I432 CarbonylContact C-O 3.56Å; I424-I432 WeakPolarHBondContact CA-O 3.34Å; N425-I432 HydrophobicContact CB-CG1 4.4Å; N425-I432 PolarHBondContact N-O 3.5Å; N425-I432 WeakPolarHBondContact O-CG1 3.08Å; N425-I432 PolarHBondContact O-N 3.01Å; N427-I432 HydrophobicContact CB-CD1 4.07Å; N427-I432 HydrophobicContact CB-CG1 4.45Å; I432-N434 HydrophobicContact CD1-CB 4.25Å; I432-N434 VanDerWaalsContact CD1-ND2 3.32Å; I432-N434 WeakPolarHBondContact CD1-ND2 3.45Å; I432-N434 HydrophobicContact CG1-CB 4.46Å
433L96.4Very high94.8Very high79 Ų7954.1 Ų54.141%0.41429%0.29SS..EExtended strand (participates in β ladder)trans-94.5103.8172.1177.565.2000108.4F416 V418 D422 I424F416-L433 HydrophobicContact CD1-CB 4.32Å; F416-L433 HydrophobicContact CE1-CB 4.45Å; V418-L433 HydrophobicContact CG1-CD1 4.3Å; D422-L433 HydrophobicContact CB-CD1 3.68Å; I424-L433 HydrophobicContact CG1-CD1 4.33Å
434N94.3Very high94.4Very high100 Ų10054.3 Ų54.354%0.53529%0.291SS..EExtended strand (participates in β ladder)trans-146.65.8-168.871.7-26.8000116.1V423 N425 I432V423-N434 PolarHBondContact O-N 3.19Å; N425-N434 PolarHBondContact ND2-OD1 3.39Å; I432-N434 HydrophobicContact CD1-CB 4.25Å; I432-N434 VanDerWaalsContact CD1-ND2 3.32Å; I432-N434 WeakPolarHBondContact CD1-ND2 3.45Å; I432-N434 HydrophobicContact CG1-CB 4.46Å
435E96.9Very high93.9Very high79 Ų7956.5 Ų56.537%0.36930%0.303SS..EExtended strand (participates in β ladder)trans-144.3155.5-178.9174.6-172.7-179.800109.7R12 V423 N425R12-E435 IonicContact CZ-OE1 2.85Å; R12-E435 IonicContact CZ-OE2 3.56Å; R12-E435 IonicContact NE-OE2 3.56Å; R12-E435 IonicContact NH2-OE1 3.98Å; R12-E435 PolarHBondContact NH2-OE1 2.69Å; R12-E435 IonicContact NH2-OE2 2.79Å; R12-E435 PolarHBondContact NH2-OE2 3.14Å; V423-E435 HydrophobicContact CB-CB 3.9Å; V423-E435 HydrophobicContact CB-CG 4.22Å; V423-E435 WeakPolarHBondContact CB-O 3.19Å; V423-E435 HydrophobicContact CG1-CB 4.49Å; V423-E435 HydrophobicContact CG2-CB 4.16Å; V423-E435 HydrophobicContact CG2-CG 3.95Å; V423-E435 PolarHBondContact N-O 3.28Å; N425-E435 PolarHBondContact ND2-OE2 3.3Å
436K97.5Very high93.2Very high126 Ų12658 Ų5855%0.54832%0.323SS..EExtended strand (participates in β ladder)trans-128.3144.5169.7-76.9-171.1-177.9-90.40109.7E419 G421 D422E419-K436 IonicContact OE2-NZ 2.65Å; E419-K436 PolarHBondContact OE2-NZ 3.45Å; E419-K436 VanDerWaalsContact OE2-NZ 3.12Å; G421-K436 CarbonylContact O-C 3.56Å; G421-K436 VanDerWaalsContact O-CA 3.27Å; G421-K436 WeakPolarHBondContact O-CA 3.27Å; D422-K436 WeakPolarHBondContact OD1-CE 3.32Å; D422-K436 WeakPolarHBondContact OD1-CG 3.3Å; D422-K436 IonicContact OD1-NZ 3.04Å; D422-K436 PolarHBondContact OD1-NZ 3.01Å
437V97.7Very high92.3Very high22 Ų2265.1 Ų65.113%0.13336%0.361CS..  trans-112.1166.1171.6-60.20000110.7I14 L16 Y61 G421 V423 S439I14-V437 HydrophobicContact CD1-CG1 4.42Å; I14-V437 HydrophobicContact CG2-CG2 3.53Å; L16-V437 HydrophobicContact CD2-CG2 4.23Å; Y61-V437 HydrophobicContact CD2-CB 3.71Å; Y61-V437 HydrophobicContact CD2-CG1 3.48Å; Y61-V437 VanDerWaalsContact CD2-CG1 3.48Å; Y61-V437 HydrophobicContact CD2-CG2 4.22Å; Y61-V437 HydrophobicContact CE2-CB 4.26Å; Y61-V437 HydrophobicContact CE2-CG1 3.51Å; Y61-V437 HydrophobicContact CG-CB 4.11Å; Y61-V437 HydrophobicContact CG-CG1 4.23Å; Y61-V437 HydrophobicContact CG-CG2 4.15Å; G421-V437 WeakPolarHBondContact O-CG2 3.37Å; G421-V437 PolarHBondContact O-N 3.02Å; V423-V437 HydrophobicContact CG2-CG1 3.7Å; V437-S439 PolarHBondContact O-N 3.19Å
438N95.8Very high91.8Very high91 Ų9161.4 Ų61.449%0.48734%0.343SS..  trans-62.4129.8172.8-169.237.1000110.2D58 S60D58-N438 PolarHBondContact OD2-ND2 2.85Å; S60-N438 PolarHBondContact OG-ND2 2.98Å
439S95.1Very high91.6Very high33 Ų3362.3 Ų62.323%0.23134%0.336CS..  trans-155.8161.4179.866.70000109.6K420 G421 V437K420-S439 PolarHBondContact O-OG 3.18Å; K420-S439 VanDerWaalsContact O-OG 3.1Å; G421-S439 VanDerWaalsContact CA-OG 3.28Å; G421-S439 WeakPolarHBondContact CA-OG 3.48Å; G421-S439 PolarHBondContact N-OG 2.92Å; V437-S439 PolarHBondContact O-N 3.19Å
440G93Very high90.9Very high23 Ų2357 Ų5724%0.23733%0.325CS..  trans162-166.1-178.200000112.5D58D58-G440 PolarHBondContact N-O 2.85Å
441N92Very high90.1Very high64 Ų6459.2 Ų59.234%0.34234%0.337SS..EExtended strand (participates in β ladder)trans-102.5130.8177.4-67.8-10000109.4K24 V55 L443K24-N441 PolarHBondContact NZ-OD1 2.8Å; V55-N441 HydrophobicContact CG1-CB 3.75Å; N441-L443 HydrophobicContact CB-CD2 4.36Å
442I93.7Very high89.1Confident46 Ų4659.2 Ų59.224%0.23634%0.337CS..EExtended strand (participates in β ladder)trans-101.9123.4162.7-57.7-61.1000107.3I56 D58 I449I56-I442 HydrophobicContact CD1-CB 4.49Å; I56-I442 HydrophobicContact CD1-CG2 4.46Å; I56-I442 HydrophobicContact CG1-CB 3.85Å; I56-I442 HydrophobicContact CG1-CG2 4.23Å; I56-I442 PolarHBondContact N-O 3Å; I56-I442 PolarHBondContact O-N 2.81Å; D58-I442 HydrophobicContact CB-CD1 4.33Å; D58-I442 HydrophobicContact CB-CG1 4.18Å; I442-I449 HydrophobicContact CG2-CG2 4.07Å
443L93Very high88.2Confident11 Ų1158.1 Ų58.16%0.05834%0.34CS..EExtended strand (participates in β ladder)trans-92.8138.8-178.6-52.2-179.4000109.8M49 I52 V55 N441 G450 V452 L457M49-L443 HydrophobicContact SD-CD2 4.4Å; I52-L443 HydrophobicContact CD1-CB 3.79Å; I52-L443 HydrophobicContact CD1-CD1 4.07Å; I52-L443 HydrophobicContact CD1-CG 4.45Å; I52-L443 HydrophobicContact CG1-CB 4.37Å; I52-L443 HydrophobicContact CG1-CD1 4.3Å; I52-L443 HydrophobicContact CG2-CB 4.41Å; I52-L443 HydrophobicContact CG2-CD2 4.48Å; V55-L443 HydrophobicContact CG1-CD2 4.11Å; V55-L443 HydrophobicContact CG2-CD2 3.88Å; N441-L443 HydrophobicContact CB-CD2 4.36Å; L443-G450 WeakPolarHBondContact O-CA 3.27Å; L443-G450 PolarHBondContact O-N 2.87Å; L443-V452 HydrophobicContact CB-CB 4.38Å; L443-V452 HydrophobicContact CD1-CG1 4.35Å; L443-V452 WeakPolarHBondContact CD1-O 3.5Å; L443-L457 HydrophobicContact CD1-CD1 3.47Å; L443-L457 VanDerWaalsContact CD1-CD1 3.47Å; L443-L457 HydrophobicContact CD1-CD2 4.48Å; L443-L457 HydrophobicContact CD1-CG 3.99Å
444I89.9Confident87.3Confident3 Ų360.8 Ų60.82%0.01536%0.355CS..EExtended strand (participates in β ladder)trans-118.9127.8178-63.5155.1000108.9D53 I54 I56 Y87 G448 I449D53-I444 PolarHBondContact N-O 2.93Å; I54-I444 HydrophobicContact CB-CB 4.26Å; I54-I444 HydrophobicContact CB-CD1 4.19Å; I54-I444 HydrophobicContact CG2-CD1 4.07Å; I54-I444 PolarHBondContact N-O 3.35Å; I54-I444 PolarHBondContact O-N 3.05Å; I56-I444 HydrophobicContact CD1-CD1 3.93Å; I56-I444 HydrophobicContact CG1-CD1 4.01Å; I56-I444 HydrophobicContact CG2-CD1 3.83Å; Y87-I444 HydrophobicContact CD1-CD1 3.66Å; Y87-I444 HydrophobicContact CD1-CG1 4.46Å; Y87-I444 HydrophobicContact CD2-CD1 4.35Å; Y87-I444 HydrophobicContact CE1-CD1 3.31Å; Y87-I444 HydrophobicContact CE1-CG1 4.05Å; Y87-I444 HydrophobicContact CE1-CG2 4.23Å; Y87-I444 HydrophobicContact CE2-CD1 4.05Å; Y87-I444 HydrophobicContact CG-CD1 4.18Å; I444-G448 WeakPolarHBondContact CA-O 3.44Å; I444-I449 HydrophobicContact CG1-CG1 4.44Å; I444-I449 HydrophobicContact CG1-CG2 4.39Å
445D87.7Confident86.7Confident48 Ų4861.5 Ų61.526%0.25736%0.358SS..EExtended strand (participates in β ladder)trans-131103.3177.8-176.9-15.2000108.7I52 I447 G448 V452 R460I52-D445 HydrophobicContact CD1-CB 4.46Å; D445-I447 PolarHBondContact O-N 3.19Å; D445-G448 PolarHBondContact N-O 3.44Å; D445-G448 VanDerWaalsContact N-O 3.09Å; D445-G448 PolarHBondContact O-N 3.23Å; D445-V452 HydrophobicContact CB-CG2 3.67Å; D445-R460 IonicContact OD2-CZ 3.29Å; D445-R460 IonicContact OD2-NH1 3.14Å; D445-R460 PolarHBondContact OD2-NH1 2.98Å; D445-R460 IonicContact OD2-NH2 3.66Å; D445-R460 PolarHBondContact OD2-NH2 3.25Å
446G83.8Confident86.2Confident51 Ų5160.4 Ų60.453%0.52636%0.356SS..THydrogen-bonded Turntrans59.7-107.2-174.300000112.9D53D53-G446 WeakPolarHBondContact OD2-CA 3.33Å; D53-G446 PolarHBondContact OD2-N 3.07Å
447I78.2Confident85.6Confident175 Ų17555.4 Ų55.490%0.89734%0.335SS*.THydrogen-bonded Turntrans-95.5-12.117760.3170.5000112.8D445D445-I447 PolarHBondContact O-N 3.19Å
448G77Confident85Confident9 Ų961.4 Ų61.49%0.09336%0.355CS..EExtended strand (participates in β ladder)trans-75.3125179.300000111.1I444 D445 D451I444-G448 WeakPolarHBondContact CA-O 3.44Å; D445-G448 PolarHBondContact N-O 3.44Å; D445-G448 VanDerWaalsContact N-O 3.09Å; D445-G448 PolarHBondContact O-N 3.23Å; G448-D451 VanDerWaalsContact CA-CG 3.44Å; G448-D451 WeakPolarHBondContact CA-OD1 3.45Å; G448-D451 VanDerWaalsContact CA-OD2 3.31Å; G448-D451 WeakPolarHBondContact CA-OD2 3.4Å
449I81.7Confident84.7Confident67 Ų6759.8 Ų59.834%0.34435%0.347SS..EExtended strand (participates in β ladder)trans-114.4110173.9-58.3168.3000107.2Y87 I442 I444 D451Y87-I449 HydrophobicContact CD1-CD1 3.85Å; Y87-I449 HydrophobicContact CD1-CG1 4.2Å; Y87-I449 HydrophobicContact CE1-CD1 4.15Å; Y87-I449 HydrophobicContact CE1-CG1 4.23Å; I442-I449 HydrophobicContact CG2-CG2 4.07Å; I444-I449 HydrophobicContact CG1-CG1 4.44Å; I444-I449 HydrophobicContact CG1-CG2 4.39Å; I449-D451 PolarHBondContact O-N 3.26Å
450G77.3Confident84.4Confident43 Ų4361.6 Ų61.644%0.44335%0.348SS..SBendtrans70.110.317800000115.1L443 V452L443-G450 WeakPolarHBondContact O-CA 3.27Å; L443-G450 PolarHBondContact O-N 2.87Å; G450-V452 VanDerWaalsContact C-N 3.33Å
451D77.1Confident84.1Confident106 Ų10663.1 Ų63.157%0.56735%0.35SS*.  trans-76.7-22.6172.460.4-26.5000112.4G448 I449G448-D451 VanDerWaalsContact CA-CG 3.44Å; G448-D451 WeakPolarHBondContact CA-OD1 3.45Å; G448-D451 VanDerWaalsContact CA-OD2 3.31Å; G448-D451 WeakPolarHBondContact CA-OD2 3.4Å; I449-D451 PolarHBondContact O-N 3.26Å
452V76.3Confident83.9Confident10 Ų1063.2 Ų63.26%0.06135%0.349CS..  trans-90103.7172.3-170.60000110I52 L443 D445 G450 V456 L457I52-V452 HydrophobicContact CD1-CB 3.94Å; I52-V452 HydrophobicContact CD1-CG1 3.66Å; I52-V452 HydrophobicContact CD1-CG2 4.23Å; L443-V452 HydrophobicContact CB-CB 4.38Å; L443-V452 HydrophobicContact CD1-CG1 4.35Å; L443-V452 WeakPolarHBondContact CD1-O 3.5Å; D445-V452 HydrophobicContact CB-CG2 3.67Å; G450-V452 VanDerWaalsContact C-N 3.33Å; V452-V456 HydrophobicContact CG1-CB 3.9Å; V452-V456 HydrophobicContact CG1-CG1 3.85Å; V452-L457 HydrophobicContact CG1-CD2 4.26Å; V452-L457 HydrophobicContact CG1-CG 4.3Å
453G77.8Confident83.8Confident34 Ų3464.4 Ų64.435%0.35136%0.356SS..  trans-92.5173.1170.900000113.3I455 V456 L457G453-I455 PolarHBondContact O-N 3.27Å; G453-V456 WeakPolarHBondContact O-CB 3.37Å; G453-V456 PolarHBondContact O-N 3.36Å; G453-L457 PolarHBondContact O-N 3.37Å
454N78.2Confident83.6Confident136 Ų13667.4 Ų67.473%0.72738%0.382SS*.Hα-helixtrans-55.8-27.8177-70.2-20.7000113.7R458N454-R458 WeakPolarHBondContact O-CB 3.36Å; N454-R458 PolarHBondContact O-N 2.93Å
455I82.1Confident83.5Confident115 Ų11573.4 Ų73.459%0.5941%0.41SS*.Hα-helixtrans-66.5-43.9176.2-60.2171.4000110.4G453 R458 D459G453-I455 PolarHBondContact O-N 3.27Å; I455-R458 PolarHBondContact O-N 3.38Å; I455-D459 VanDerWaalsContact O-CG 3.3Å; I455-D459 PolarHBondContact O-N 3.48Å
456V86Confident83.5Confident56 Ų5672.9 Ų72.934%0.33941%0.407SS..Hα-helixtrans-65.8-42.3179179.50000110.1V452 G453 D459 R460V452-V456 HydrophobicContact CG1-CB 3.9Å; V452-V456 HydrophobicContact CG1-CG1 3.85Å; G453-V456 WeakPolarHBondContact O-CB 3.37Å; G453-V456 PolarHBondContact O-N 3.36Å; V456-D459 PolarHBondContact O-N 2.92Å; V456-R460 WeakPolarHBondContact O-CG 3.48Å; V456-R460 PolarHBondContact O-N 3.29Å
457L84.7Confident83.9Confident20 Ų2070.5 Ų70.511%0.10538%0.383CS..Hα-helixtrans-60.3-45173.8-72.6-176.2000112.2I52 L443 V452 G453 D459 R460 H461I52-L457 HydrophobicContact CD1-CD2 4.13Å; I52-L457 HydrophobicContact CG1-CD2 3.89Å; L443-L457 HydrophobicContact CD1-CD1 3.47Å; L443-L457 VanDerWaalsContact CD1-CD1 3.47Å; L443-L457 HydrophobicContact CD1-CD2 4.48Å; L443-L457 HydrophobicContact CD1-CG 3.99Å; V452-L457 HydrophobicContact CG1-CD2 4.26Å; V452-L457 HydrophobicContact CG1-CG 4.3Å; G453-L457 PolarHBondContact O-N 3.37Å; L457-D459 VanDerWaalsContact C-N 3.31Å; L457-D459 PolarHBondContact O-N 2.98Å; L457-R460 WeakPolarHBondContact O-CB 3.38Å; L457-R460 PolarHBondContact O-N 3.39Å; L457-H461 PolarHBondContact O-CD2 3.3Å; L457-H461 PolarHBondContact O-N 2.78Å
458R85.8Confident84.6Confident148 Ų14863.7 Ų63.756%0.55835%0.348SS*.Hα-helixtrans-59.6-43.4176.4-172.2-170.769.9-171.5-0.2111.5N454 I455 R460 H461 L462N454-R458 WeakPolarHBondContact O-CB 3.36Å; N454-R458 PolarHBondContact O-N 2.93Å; I455-R458 PolarHBondContact O-N 3.38Å; R458-R460 VanDerWaalsContact C-N 3.33Å; R458-H461 PolarHBondContact O-N 2.93Å; R458-L462 HydrophobicContact CG-CD1 4.39Å; R458-L462 WeakPolarHBondContact O-CG 3.39Å; R458-L462 PolarHBondContact O-N 3.01Å
459D87.8Confident85.4Confident57 Ų5763.3 Ų63.331%0.30534%0.344SS..Hα-helixtrans-65.2-39.1178.1-69.3-7.5000110.9I455 V456 L457 L462 L463 M549I455-D459 VanDerWaalsContact O-CG 3.3Å; I455-D459 PolarHBondContact O-N 3.48Å; V456-D459 PolarHBondContact O-N 2.92Å; L457-D459 VanDerWaalsContact C-N 3.31Å; L457-D459 PolarHBondContact O-N 2.98Å; D459-L462 PolarHBondContact O-N 3.03Å; D459-L463 WeakPolarHBondContact O-CB 3.18Å; D459-L463 WeakPolarHBondContact O-CG 3.47Å; D459-L463 PolarHBondContact O-N 3.42Å; D459-M549 HydrophobicContact CB-CE 3.98Å
460R89.8Confident86Confident71 Ų7162.3 Ų62.327%0.26834%0.339SS..Hα-helixtrans-60.6-43.5172.6-72.2179.3-179.7-179.7-1.7112.2L50 G51 D445 V456 L457 R458 L463 A464L50-R460 HydrophobicContact CB-CB 4.04Å; L50-R460 HydrophobicContact CD1-CB 4.09Å; L50-R460 WeakPolarHBondContact O-CD 3.44Å; L50-R460 PolarHBondContact O-NH1 3.37Å; G51-R460 PolarHBondContact O-NH1 3.48Å; D445-R460 IonicContact OD2-CZ 3.29Å; D445-R460 IonicContact OD2-NH1 3.14Å; D445-R460 PolarHBondContact OD2-NH1 2.98Å; D445-R460 IonicContact OD2-NH2 3.66Å; D445-R460 PolarHBondContact OD2-NH2 3.25Å; V456-R460 WeakPolarHBondContact O-CG 3.48Å; V456-R460 PolarHBondContact O-N 3.29Å; L457-R460 WeakPolarHBondContact O-CB 3.38Å; L457-R460 PolarHBondContact O-N 3.39Å; R458-R460 VanDerWaalsContact C-N 3.33Å; R460-L463 PolarHBondContact O-N 3.41Å; R460-A464 WeakPolarHBondContact O-CB 3.31Å; R460-A464 PolarHBondContact O-N 3.04Å
461H87.3Confident86.7Confident56 Ų5660.3 Ų60.326%0.25932%0.318SS..Hα-helixtrans-60.9-50176-84.9-66.1000112.3E48 L457 R458 L463 A464 E465E48-H461 PolarHBondContact O-CE1 3.05Å; E48-H461 PolarHBondContact O-NE2 3.29Å; L457-H461 PolarHBondContact O-CD2 3.3Å; L457-H461 PolarHBondContact O-N 2.78Å; R458-H461 PolarHBondContact O-N 2.93Å; H461-L463 PolarHBondContact O-N 3.2Å; H461-A464 PolarHBondContact O-N 3.02Å; H461-E465 PolarHBondContact O-N 2.9Å
462L86.4Confident87.6Confident65 Ų6557.1 Ų57.134%0.3430%0.302SS..Hα-helixtrans-58.5-40179-70.7171.6000111.6R458 D459 D466 G467 M549R458-L462 HydrophobicContact CG-CD1 4.39Å; R458-L462 WeakPolarHBondContact O-CG 3.39Å; R458-L462 PolarHBondContact O-N 3.01Å; D459-L462 PolarHBondContact O-N 3.03Å; L462-D466 PolarHBondContact O-N 2.74Å; L462-G467 PolarHBondContact O-N 3.05Å; L462-M549 HydrophobicContact CB-CE 3.92Å; L462-M549 HydrophobicContact CD1-CE 3.99Å
463L92.1Very high88.5Confident72 Ų7256.6 Ų56.638%0.37730%0.299SS..Hα-helixtrans-66.6-38.9175.3-69.4171.1000112.7D459 R460 H461 G467 I468 M549D459-L463 WeakPolarHBondContact O-CB 3.18Å; D459-L463 WeakPolarHBondContact O-CG 3.47Å; D459-L463 PolarHBondContact O-N 3.42Å; R460-L463 PolarHBondContact O-N 3.41Å; H461-L463 PolarHBondContact O-N 3.2Å; L463-G467 VanDerWaalsContact O-CA 3.29Å; L463-G467 WeakPolarHBondContact O-CA 3.29Å; L463-G467 PolarHBondContact O-N 3.19Å; L463-I468 HydrophobicContact CD2-CB 3.61Å; L463-I468 HydrophobicContact CD2-CD1 3.99Å; L463-I468 HydrophobicContact CD2-CG1 4.2Å; L463-I468 HydrophobicContact CD2-CG2 4.27Å; L463-M549 HydrophobicContact CD2-CB 4.46Å; L463-M549 HydrophobicContact CD2-SD 4.15Å; L463-M549 HydrophobicContact CG-CE 4.41Å; L463-M549 HydrophobicContact CG-SD 4.48Å
464A89.1Confident89.2Confident73 Ų7356.5 Ų56.560%0.60329%0.292SS*.Hα-helixtrans-71-39.618000000112.6L50 R460 H461L50-A464 HydrophobicContact CD1-CB 3.85Å; R460-A464 WeakPolarHBondContact O-CB 3.31Å; R460-A464 PolarHBondContact O-N 3.04Å; H461-A464 PolarHBondContact O-N 3.02Å
465E87.9Confident89.7Confident130 Ų13050 Ų5061%0.60726%0.257SS*.Hα-helixtrans-82.7-47.8-176.1-68.4-173.215300113H461 R546H461-E465 PolarHBondContact O-N 2.9Å; E465-R546 PolarHBondContact O-NH2 3.44Å
466D87.8Confident90.1Very high36 Ų3645.2 Ų45.219%0.19323%0.233CC..Hα-helixtrans-116.2-9.1-169-85.3-39.9000114L462 F493 R546 R547L462-D466 PolarHBondContact O-N 2.74Å; D466-F493 WeakPolarHBondContact O-CB 3.42Å; D466-F493 WeakPolarHBondContact O-CD2 3.48Å; D466-R546 IonicContact OD1-NE 2.73Å; D466-R547 VanDerWaalsContact CB-O 3.28Å; D466-R547 WeakPolarHBondContact CB-O 3.28Å
467G91.6Very high89.8Confident2 Ų244.4 Ų44.42%0.02123%0.229CC..  trans72.5-168.1-177.700000113.2L462 L463 R491 M549L462-G467 PolarHBondContact O-N 3.05Å; L463-G467 VanDerWaalsContact O-CA 3.29Å; L463-G467 WeakPolarHBondContact O-CA 3.29Å; L463-G467 PolarHBondContact O-N 3.19Å; G467-R491 WeakPolarHBondContact CA-O 3.45Å; G467-M549 PolarHBondContact O-N 3.39Å
468I93.3Very high89.8Confident32 Ų3252.7 Ų52.716%0.16426%0.264CS..EExtended strand (participates in β ladder)trans-129.5144.6-174.8-172.8168.4000111.6L463 I470 S490 R491 M549 I551L463-I468 HydrophobicContact CD2-CB 3.61Å; L463-I468 HydrophobicContact CD2-CD1 3.99Å; L463-I468 HydrophobicContact CD2-CG1 4.2Å; L463-I468 HydrophobicContact CD2-CG2 4.27Å; I468-I470 HydrophobicContact CD1-CD1 4.05Å; I468-I470 HydrophobicContact CD1-CG1 3.96Å; I468-I470 HydrophobicContact CG1-CD1 4.42Å; I468-I470 HydrophobicContact CG1-CG1 3.88Å; I468-S490 WeakPolarHBondContact O-CA 3.01Å; I468-R491 HydrophobicContact CG2-CB 3.73Å; I468-R491 PolarHBondContact N-O 3.05Å; I468-R491 PolarHBondContact O-N 2.78Å; I468-M549 WeakPolarHBondContact CA-O 3.44Å; I468-M549 WeakPolarHBondContact CG1-O 3.35Å; I468-I551 HydrophobicContact CD1-CD1 3.62Å; I468-I551 HydrophobicContact CD1-CG1 4.16Å; I468-I551 HydrophobicContact CG1-CD1 4.43Å; I468-I551 HydrophobicContact CG1-CG1 4.46Å
469F92.6Very high89.8Confident0 Ų050.5 Ų50.50%026%0.263CS..EExtended strand (participates in β ladder)trans-131.7112.3178.2-166.2-84.8000109.6I488 F493 L503 A506 I536 L540 P548 M549 I550 I551F469-I488 HydrophobicContact CD1-CG2 4.25Å; F469-I488 HydrophobicContact CD2-CG2 4.23Å; F469-I488 HydrophobicContact CE1-CD1 3.84Å; F469-I488 HydrophobicContact CE1-CG1 4.27Å; F469-I488 HydrophobicContact CE1-CG2 3.55Å; F469-I488 HydrophobicContact CE2-CG2 3.54Å; F469-I488 HydrophobicContact CZ-CB 4.34Å; F469-I488 HydrophobicContact CZ-CD1 3.67Å; F469-I488 HydrophobicContact CZ-CG1 4.31Å; F469-I488 HydrophobicContact CZ-CG2 3.19Å; F469-F493 AromaticContact CD2-CD1 3.94Å; F469-F493 HydrophobicContact CD2-CD1 3.94Å; F469-F493 HydrophobicContact CD2-CE1 4.15Å; F469-F493 HydrophobicContact CE2-CE1 4.48Å; F469-L503 HydrophobicContact CE2-CD2 3.82Å; F469-L503 HydrophobicContact CZ-CD2 4.37Å; F469-A506 HydrophobicContact CE1-CB 4.48Å; F469-A506 HydrophobicContact CZ-CB 3.77Å; F469-I536 HydrophobicContact CD1-CG2 4.09Å; F469-I536 HydrophobicContact CE1-CG2 3.7Å; F469-I536 HydrophobicContact CZ-CG2 4.28Å; F469-L540 HydrophobicContact CB-CD1 4.29Å; F469-L540 HydrophobicContact CD1-CD1 4.11Å; F469-L540 HydrophobicContact CD2-CD1 3.67Å; F469-L540 HydrophobicContact CE1-CD1 4.28Å; F469-L540 HydrophobicContact CE2-CD1 3.85Å; F469-L540 HydrophobicContact CE2-CD2 3.99Å; F469-L540 HydrophobicContact CG-CD1 3.77Å; F469-L540 HydrophobicContact CZ-CD1 4.12Å; F469-L540 HydrophobicContact CZ-CD2 4.28Å; F469-P548 HydrophobicContact CB-CB 4.14Å; F469-P548 HydrophobicContact CB-CG 4.1Å; F469-M549 PolarHBondContact N-O 2.9Å; F469-I550 HydrophobicContact CB-CG1 4.17Å; F469-I550 HydrophobicContact CD1-CG1 4.48Å; F469-I550 CarbonylContact O-C 3.51Å; F469-I550 VanDerWaalsContact O-CA 3.27Å; F469-I550 WeakPolarHBondContact O-CA 3.49Å; F469-I551 PolarHBondContact O-N 2.93Å
470I94.4Very high89.8Confident46 Ų4652.9 Ų52.924%0.23627%0.268CS..EExtended strand (participates in β ladder)trans-109.1124.4-175.8-51178.8000108I468 V472 I488 Q489 I551 V553I468-I470 HydrophobicContact CD1-CD1 4.05Å; I468-I470 HydrophobicContact CD1-CG1 3.96Å; I468-I470 HydrophobicContact CG1-CD1 4.42Å; I468-I470 HydrophobicContact CG1-CG1 3.88Å; I470-V472 HydrophobicContact CG2-CG2 3.94Å; I470-I488 CarbonylContact O-C 3.5Å; I470-I488 WeakPolarHBondContact O-CA 3.5Å; I470-Q489 HydrophobicContact CB-CB 4.39Å; I470-Q489 PolarHBondContact N-O 2.87Å; I470-Q489 PolarHBondContact O-N 2.75Å; I470-I551 WeakPolarHBondContact CA-O 3.43Å; I470-I551 HydrophobicContact CG1-CB 4.49Å; I470-V553 HydrophobicContact CG2-CG2 4.07Å
471A93.5Very high89.8Confident1 Ų156.3 Ų56.31%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-114.9114.3176.200000109.1I488 V510 M532 I551 P552 V553A471-I488 HydrophobicContact CB-CG1 4.48Å; A471-V510 HydrophobicContact CB-CG2 4.11Å; A471-M532 HydrophobicContact CB-CE 3.73Å; A471-I551 PolarHBondContact N-O 2.9Å; A471-P552 WeakPolarHBondContact O-CA 3.41Å; A471-V553 PolarHBondContact O-N 2.72Å
472V95.1Very high89.9Confident39 Ų3954.9 Ų54.924%0.23628%0.275CS..EExtended strand (participates in β ladder)trans-107.7128.8-176.6-172.80000109.7I470 P486 E487 V553I470-V472 HydrophobicContact CG2-CG2 3.94Å; V472-P486 CarbonylContact O-C 3.55Å; V472-P486 WeakPolarHBondContact O-CA 3.44Å; V472-E487 PolarHBondContact N-O 2.8Å; V472-E487 PolarHBondContact O-N 3.04Å; V472-V553 CarbonylContact C-O 3.53Å; V472-V553 WeakPolarHBondContact CA-O 3.45Å; V472-V553 HydrophobicContact CG1-CB 4.36Å; V472-V553 HydrophobicContact CG1-CG1 4.47Å; V472-V553 HydrophobicContact CG2-CB 4.16Å; V472-V553 HydrophobicContact CG2-CG2 4.43Å
473V94.3Very high90.1Very high0 Ų053.9 Ų53.90%028%0.276CS..EExtended strand (participates in β ladder)trans-134.4134.6175.8-1650000109.7L475 I482 P486 V510 V514 M532 V553 I554 S555V473-L475 HydrophobicContact CG1-CD2 3.68Å; V473-I482 HydrophobicContact CG1-CD1 4.32Å; V473-I482 HydrophobicContact CG1-CG1 4.11Å; V473-I482 HydrophobicContact CG1-CG2 3.77Å; V473-P486 HydrophobicContact CG2-CB 3.91Å; V473-P486 HydrophobicContact CG2-CG 4.1Å; V473-V510 HydrophobicContact CG2-CG1 3.61Å; V473-V514 HydrophobicContact CG1-CG1 4.26Å; V473-V514 HydrophobicContact CG1-CG2 4.49Å; V473-V514 HydrophobicContact CG2-CG2 4.25Å; V473-M532 HydrophobicContact CG2-CE 4.26Å; V473-V553 PolarHBondContact N-O 2.94Å; V473-I554 WeakPolarHBondContact O-CA 3.46Å; V473-S555 PolarHBondContact O-N 2.98Å
474T92.7Very high90Very high32 Ų3252.9 Ų52.920%0.19628%0.278CS..EExtended strand (participates in β ladder)trans-109.2127.6175.7-53.70000109.3I482 A483 A484 S555 I557T474-I482 CarbonylContact O-C 3.55Å; T474-A483 HydrophobicContact CG2-CB 4.26Å; T474-A483 PolarHBondContact O-N 3.35Å; T474-A484 PolarHBondContact N-O 2.87Å; T474-A484 PolarHBondContact O-N 3.18Å; T474-A484 VanDerWaalsContact O-N 3.13Å; T474-S555 CarbonylContact C-O 3.48Å; T474-S555 WeakPolarHBondContact CA-O 3.45Å; T474-I557 HydrophobicContact CG2-CG2 3.3Å
475L90.3Very high89.9Confident0 Ų050.8 Ų50.80%026%0.264CS..EExtended strand (participates in β ladder)trans-115149.7-172-54.1-177.3000111.3V473 P477 I482 V514 L518 W525 I554 S555 E556 I557V473-L475 HydrophobicContact CG1-CD2 3.68Å; L475-P477 WeakPolarHBondContact O-CD 3.49Å; L475-I482 HydrophobicContact CD2-CB 4.43Å; L475-I482 HydrophobicContact CD2-CG1 3.86Å; L475-V514 HydrophobicContact CD2-CG1 3.6Å; L475-L518 HydrophobicContact CD1-CD2 4.41Å; L475-L518 HydrophobicContact CD2-CD1 4.28Å; L475-W525 HydrophobicContact CD1-CE3 4.04Å; L475-W525 HydrophobicContact CD1-CH2 3.69Å; L475-W525 HydrophobicContact CD1-CZ3 3.2Å; L475-I554 HydrophobicContact CD1-CG2 3.36Å; L475-I554 HydrophobicContact CG-CG2 3.87Å; L475-S555 PolarHBondContact N-O 3.38Å; L475-E556 CarbonylContact O-C 3.55Å; L475-E556 WeakPolarHBondContact O-CA 3.34Å; L475-I557 PolarHBondContact O-N 2.72Å
476D89Confident90.1Very high14 Ų1445 Ų458%0.07524%0.238CC..EExtended strand (participates in β ladder)trans-109.696.2166.3172.8-10.8000107K478 N479 R480 R481 A483D476-K478 PolarHBondContact O-N 3.07Å; D476-K478 PolarHBondContact OD1-N 3.07Å; D476-N479 PolarHBondContact O-N 3.49Å; D476-N479 PolarHBondContact OD1-N 3.27Å; D476-N479 PolarHBondContact OD1-ND2 3.39Å; D476-N479 WeakPolarHBondContact OD2-CB 3.49Å; D476-N479 PolarHBondContact OD2-ND2 2.98Å; D476-R480 WeakPolarHBondContact O-CA 3.34Å; D476-R480 PolarHBondContact O-N 2.88Å; D476-R481 HydrophobicContact CB-CG 3.94Å; D476-R481 PolarHBondContact N-O 2.85Å; D476-R481 PolarHBondContact O-N 2.93Å; D476-R481 IonicContact OD2-CZ 3.62Å; D476-R481 IonicContact OD2-NE 3.35Å; D476-R481 PolarHBondContact OD2-NE 2.98Å; D476-R481 VanDerWaalsContact OD2-NE 3.15Å; D476-R481 IonicContact OD2-NH2 3.51Å; D476-R481 PolarHBondContact OD2-NH2 2.98Å; D476-A483 HydrophobicContact CB-CB 4.17Å
477P81.3Confident90.3Very high38 Ų3848.4 Ų48.425%0.24725%0.252CS..THydrogen-bonded Turntrans-63.6-30.7-174.5-19.930.5000112.5L475 R480 W525 E556L475-P477 WeakPolarHBondContact O-CD 3.49Å; P477-R480 PolarHBondContact O-N 3.21Å; P477-W525 HydrophobicContact CG-CZ2 4.47Å; P477-E556 HydrophobicContact CG-CB 4.02Å; P477-E556 HydrophobicContact CG-CG 3.79Å; P477-E556 WeakPolarHBondContact CG-OE2 3.43Å
478K84.3Confident90.3Very high194 Ų19449.2 Ų49.284%0.84326%0.256SS*.THydrogen-bonded Turntrans-67.4-45-178.4-69.7178.2-1791690111.1D476D476-K478 PolarHBondContact O-N 3.07Å; D476-K478 PolarHBondContact OD1-N 3.07Å
479N86.1Confident90.1Very high102 Ų10251.8 Ų51.855%0.54527%0.267SS..THydrogen-bonded Turntrans-93.22.4179.5-62.8-54.6000113.1D476 R481D476-N479 PolarHBondContact O-N 3.49Å; D476-N479 PolarHBondContact OD1-N 3.27Å; D476-N479 PolarHBondContact OD1-ND2 3.39Å; D476-N479 WeakPolarHBondContact OD2-CB 3.49Å; D476-N479 PolarHBondContact OD2-ND2 2.98Å; N479-R481 VanDerWaalsContact C-N 3.28Å; N479-R481 HydrophobicContact CB-CG 3.97Å; N479-R481 PolarHBondContact O-N 2.86Å
480R86.5Confident89.9Confident108 Ų10852 Ų5241%0.40827%0.269SS..THydrogen-bonded Turntrans51.345.2178.9-47-171.676.6167.912.4112.5D476 P477 L518 E520D476-R480 WeakPolarHBondContact O-CA 3.34Å; D476-R480 PolarHBondContact O-N 2.88Å; P477-R480 PolarHBondContact O-N 3.21Å; R480-L518 PolarHBondContact NE-O 3.16Å; R480-L518 PolarHBondContact NH2-O 3.48Å; R480-E520 PolarHBondContact NH1-O 3.5Å; R480-E520 PolarHBondContact NH2-O 2.95Å
481R89.4Confident89.7Confident142 Ų14258.1 Ų58.154%0.53629%0.289SS..EExtended strand (participates in β ladder)trans-135.5160.3-176.467.4-179.5177.5164.41.6112D476 N479 A483D476-R481 HydrophobicContact CB-CG 3.94Å; D476-R481 PolarHBondContact N-O 2.85Å; D476-R481 PolarHBondContact O-N 2.93Å; D476-R481 IonicContact OD2-CZ 3.62Å; D476-R481 IonicContact OD2-NE 3.35Å; D476-R481 PolarHBondContact OD2-NE 2.98Å; D476-R481 VanDerWaalsContact OD2-NE 3.15Å; D476-R481 IonicContact OD2-NH2 3.51Å; D476-R481 PolarHBondContact OD2-NH2 2.98Å; N479-R481 VanDerWaalsContact C-N 3.28Å; N479-R481 HydrophobicContact CB-CG 3.97Å; N479-R481 PolarHBondContact O-N 2.86Å; R481-A483 PolarHBondContact O-N 3.04Å
482I91.2Very high89.3Confident27 Ų2761.1 Ų61.114%0.13832%0.32CS..EExtended strand (participates in β ladder)trans-74.9118.5168-60.5170.8000107.8V473 T474 L475 A484 R511 V514 E515 L518V473-I482 HydrophobicContact CG1-CD1 4.32Å; V473-I482 HydrophobicContact CG1-CG1 4.11Å; V473-I482 HydrophobicContact CG1-CG2 3.77Å; T474-I482 CarbonylContact O-C 3.55Å; L475-I482 HydrophobicContact CD2-CB 4.43Å; L475-I482 HydrophobicContact CD2-CG1 3.86Å; I482-A484 WeakPolarHBondContact CG2-O 3.49Å; I482-R511 HydrophobicContact CD1-CG 3.99Å; I482-V514 HydrophobicContact CD1-CB 4.14Å; I482-V514 HydrophobicContact CD1-CG1 3.83Å; I482-V514 HydrophobicContact CG1-CG1 3.74Å; I482-E515 HydrophobicContact CD1-CG 4.01Å; I482-L518 HydrophobicContact CG1-CD1 4.32Å
483A90.3Very high88.9Confident43 Ų4359.5 Ų59.536%0.35531%0.31SS..EExtended strand (participates in β ladder)trans-81-37.3176.400000112T474 D476 R481 I557T474-A483 HydrophobicContact CG2-CB 4.26Å; T474-A483 PolarHBondContact O-N 3.35Å; D476-A483 HydrophobicContact CB-CB 4.17Å; R481-A483 PolarHBondContact O-N 3.04Å; A483-I557 HydrophobicContact CB-CD1 3.74Å; A483-I557 HydrophobicContact CB-CG1 4.02Å
484A89.6Confident88.2Confident51 Ų5160.8 Ų60.842%0.42132%0.318SS..EExtended strand (participates in β ladder)trans-153.3152.4174.200000111.5T474 I482T474-A484 PolarHBondContact N-O 2.87Å; T474-A484 PolarHBondContact O-N 3.18Å; T474-A484 VanDerWaalsContact O-N 3.13Å; I482-A484 WeakPolarHBondContact CG2-O 3.49Å
485G87.3Confident87.4Confident30 Ų3065.6 Ų65.631%0.30933%0.333SS..EExtended strand (participates in β ladder)trans86.1-163.8-17500000114.1R511G485-R511 PolarHBondContact O-NH2 2.85Å
486P91.5Very high86.3Confident9 Ų968.7 Ų68.76%0.05835%0.352CS..EExtended strand (participates in β ladder)cis-63.4142-1.4-19.933.7000113.1V472 V473 V510 R511V472-P486 CarbonylContact O-C 3.55Å; V472-P486 WeakPolarHBondContact O-CA 3.44Å; V473-P486 HydrophobicContact CG2-CB 3.91Å; V473-P486 HydrophobicContact CG2-CG 4.1Å; P486-V510 HydrophobicContact CB-CB 4.02Å; P486-V510 HydrophobicContact CB-CG1 3.64Å; P486-V510 HydrophobicContact CG-CB 3.97Å; P486-V510 HydrophobicContact CG-CG1 3.6Å; P486-R511 HydrophobicContact CG-CB 4Å
487E91.9Very high85.2Confident107 Ų10777.3 Ų77.350%0.538%0.383SS..EExtended strand (participates in β ladder)trans-116.2131169.2-171.7-173148.700108.9V472 Q489V472-E487 PolarHBondContact N-O 2.8Å; V472-E487 PolarHBondContact O-N 3.04Å; E487-Q489 PolarHBondContact OE1-NE2 3.06Å
488I91.2Very high84.8Confident18 Ų1883.3 Ų83.39%0.09241%0.408CS..EExtended strand (participates in β ladder)trans-110128.4-179.5-64.9-175.8000110.6F469 I470 A471 L503 A506 E507F469-I488 HydrophobicContact CD1-CG2 4.25Å; F469-I488 HydrophobicContact CD2-CG2 4.23Å; F469-I488 HydrophobicContact CE1-CD1 3.84Å; F469-I488 HydrophobicContact CE1-CG1 4.27Å; F469-I488 HydrophobicContact CE1-CG2 3.55Å; F469-I488 HydrophobicContact CE2-CG2 3.54Å; F469-I488 HydrophobicContact CZ-CB 4.34Å; F469-I488 HydrophobicContact CZ-CD1 3.67Å; F469-I488 HydrophobicContact CZ-CG1 4.31Å; F469-I488 HydrophobicContact CZ-CG2 3.19Å; I470-I488 CarbonylContact O-C 3.5Å; I470-I488 WeakPolarHBondContact O-CA 3.5Å; A471-I488 HydrophobicContact CB-CG1 4.48Å; I488-L503 HydrophobicContact CG2-CD2 3.69Å; I488-A506 HydrophobicContact CD1-CB 3.51Å; I488-E507 HydrophobicContact CB-CG 4.27Å; I488-E507 HydrophobicContact CD1-CB 4.26Å; I488-E507 HydrophobicContact CD1-CG 3.58Å; I488-E507 HydrophobicContact CG1-CG 3.7Å
489Q89.8Confident84.6Confident87 Ų8775.3 Ų75.341%0.40738%0.376SS..EExtended strand (participates in β ladder)trans-119.3130.4172.4-61-172.25.600110.2I470 E487I470-Q489 HydrophobicContact CB-CB 4.39Å; I470-Q489 PolarHBondContact N-O 2.87Å; I470-Q489 PolarHBondContact O-N 2.75Å; E487-Q489 PolarHBondContact OE1-NE2 3.06Å
490S89Confident84.3Confident5 Ų575.4 Ų75.44%0.03537%0.374CS..EExtended strand (participates in β ladder)trans-124.6140179.7176.30000110.9I468I468-S490 WeakPolarHBondContact O-CA 3.01Å
491R89.4Confident84.3Confident173 Ų17376.1 Ų76.165%0.65339%0.385SS*.EExtended strand (participates in β ladder)trans-140.5131.3173.7-66.4-69.1-176.9-96.21.4109.4G467 I468 F493G467-R491 WeakPolarHBondContact CA-O 3.45Å; I468-R491 HydrophobicContact CG2-CB 3.73Å; I468-R491 PolarHBondContact N-O 3.05Å; I468-R491 PolarHBondContact O-N 2.78Å; R491-F493 PolarHBondContact O-N 2.86Å
492G85.9Confident84.2Confident64 Ų6470.4 Ų70.466%0.6637%0.365SS*.SBendtrans71.2-8.9178.100000116.3
493F85Confident84.1Confident6 Ų670 Ų703%0.02636%0.364CS..SBendtrans-93.3-58.8-176.6170.1-120.7000113.3D466 F469 R491 L540 T544 R546 P548D466-F493 WeakPolarHBondContact O-CB 3.42Å; D466-F493 WeakPolarHBondContact O-CD2 3.48Å; F469-F493 AromaticContact CD2-CD1 3.94Å; F469-F493 HydrophobicContact CD2-CD1 3.94Å; F469-F493 HydrophobicContact CD2-CE1 4.15Å; F469-F493 HydrophobicContact CE2-CE1 4.48Å; R491-F493 PolarHBondContact O-N 2.86Å; F493-L540 HydrophobicContact CE1-CB 4.41Å; F493-L540 HydrophobicContact CE1-CD1 3.9Å; F493-L540 HydrophobicContact CE1-CD2 3.78Å; F493-L540 HydrophobicContact CE1-CG 4.23Å; F493-L540 HydrophobicContact CZ-CB 3.9Å; F493-L540 HydrophobicContact CZ-CD1 4.13Å; F493-L540 HydrophobicContact CZ-CD2 4.06Å; F493-L540 HydrophobicContact CZ-CG 4.24Å; F493-T544 HydrophobicContact CE2-CG2 4.31Å; F493-T544 WeakPolarHBondContact CE2-OG1 3.42Å; F493-T544 HydrophobicContact CZ-CG2 3.73Å; F493-T544 WeakPolarHBondContact CZ-OG1 3.45Å; F493-R546 HydrophobicContact CD2-CB 4.33Å; F493-R546 HydrophobicContact CE2-CB 3.82Å; F493-R546 PolarHBondContact O-NH1 3Å; F493-P548 HydrophobicContact CB-CB 4.01Å; F493-P548 HydrophobicContact CD1-CB 4.26Å; F493-P548 HydrophobicContact CD1-CG 3.96Å; F493-P548 HydrophobicContact CD2-CB 3.61Å; F493-P548 HydrophobicContact CD2-CG 3.58Å; F493-P548 HydrophobicContact CE1-CG 4Å; F493-P548 HydrophobicContact CE2-CB 4.15Å; F493-P548 VanDerWaalsContact CE2-CD 3.45Å; F493-P548 HydrophobicContact CE2-CG 3.59Å; F493-P548 HydrophobicContact CG-CB 3.68Å; F493-P548 HydrophobicContact CG-CG 3.78Å; F493-P548 HydrophobicContact CZ-CG 3.82Å
494V81.2Confident84.1Confident27 Ų2774.6 Ų74.616%0.16437%0.372CS..SBendtrans-133.4149.8179.2-70.60000111.1V496 L502 T544V494-V496 PolarHBondContact O-N 3.46Å; V494-V496 VanDerWaalsContact O-N 3.1Å; V494-L502 HydrophobicContact CG1-CD2 4.31Å; V494-T544 HydrophobicContact CG1-CG2 4.05Å
495Y74Confident84.1Confident133 Ų13376.7 Ų76.752%0.52237%0.372SS..  trans-74.8100.8172.5-169.8-113.8000109R497 E498 S499Y495-R497 HydrophobicContact CD1-CB 4.07Å; Y495-R497 HydrophobicContact CE1-CB 3.68Å; Y495-R497 HydrophobicContact CE1-CG 4.22Å; Y495-R497 PolarHBondContact O-N 3.15Å; Y495-E498 HydrophobicContact CD1-CB 4.15Å; Y495-E498 HydrophobicContact CD1-CG 3.81Å; Y495-E498 HydrophobicContact CE1-CG 4.35Å; Y495-E498 PolarHBondContact O-N 2.89Å; Y495-S499 PolarHBondContact O-N 3.36Å
496V68.6Low84.4Confident64 Ų6475.2 Ų75.239%0.38836%0.358SS..G310 helixtrans-46.8-39.3-170.3175.20000113.5V494 E498 S499 E500 L503V494-V496 PolarHBondContact O-N 3.46Å; V494-V496 VanDerWaalsContact O-N 3.1Å; V496-E498 VanDerWaalsContact C-N 3.29Å; V496-E498 PolarHBondContact O-N 3.43Å; V496-S499 PolarHBondContact O-N 3.1Å; V496-E500 PolarHBondContact O-N 2.85Å; V496-L503 HydrophobicContact CB-CD1 4.42Å; V496-L503 HydrophobicContact CG1-CD1 3.81Å; V496-L503 HydrophobicContact CG2-CD1 4.48Å
497R64.7Low84.5Confident196 Ų19678 Ų7874%0.7437%0.37SS*.G310 helixtrans-67.7-25.7-178-65.8-176.9176.2173.8-3.3114.3Y495Y495-R497 HydrophobicContact CD1-CB 4.07Å; Y495-R497 HydrophobicContact CE1-CB 3.68Å; Y495-R497 HydrophobicContact CE1-CG 4.22Å; Y495-R497 PolarHBondContact O-N 3.15Å
498E73.5Confident84.6Confident164 Ų16479.6 Ų79.677%0.76638%0.377SS*.G310 helixtrans-101.7-2.5-179.9-71.8173.9-172.500111.9Y495 V496Y495-E498 HydrophobicContact CD1-CB 4.15Å; Y495-E498 HydrophobicContact CD1-CG 3.81Å; Y495-E498 HydrophobicContact CE1-CG 4.35Å; Y495-E498 PolarHBondContact O-N 2.89Å; V496-E498 VanDerWaalsContact C-N 3.29Å; V496-E498 PolarHBondContact O-N 3.43Å
499S79.5Confident84.7Confident25 Ų2581.3 Ų81.318%0.17538%0.384CS..  trans-124.625.1-175-57.40000112.6Y495 V496 D501 L502 L503Y495-S499 PolarHBondContact O-N 3.36Å; V496-S499 PolarHBondContact O-N 3.1Å; S499-D501 VanDerWaalsContact C-N 3.27Å; S499-D501 PolarHBondContact O-N 2.79Å; S499-L502 PolarHBondContact O-N 3.06Å; S499-L503 WeakPolarHBondContact O-CG 3.37Å; S499-L503 PolarHBondContact O-N 3.02Å
500E81.6Confident84.9Confident105 Ų10577.2 Ų77.249%0.49137%0.365SS..Hα-helixtrans-56.5-41.2178-72.6-166.417800112.3V496 L503 R504V496-E500 PolarHBondContact O-N 2.85Å; E500-L503 PolarHBondContact O-N 2.62Å; E500-R504 WeakPolarHBondContact O-CG 3.2Å; E500-R504 PolarHBondContact O-N 3.39Å; E500-R504 IonicContact OE2-NH2 2.76Å
501D85.8Confident85.2Confident123 Ų12381.7 Ų81.766%0.65838%0.381SS*.Hα-helixtrans-65.2-42.7179.9-66.4-30.6000111.7S499 L503 R504 E505S499-D501 VanDerWaalsContact C-N 3.27Å; S499-D501 PolarHBondContact O-N 2.79Å; D501-L503 VanDerWaalsContact C-N 3.32Å; D501-L503 PolarHBondContact O-N 3.21Å; D501-R504 PolarHBondContact O-N 3.32Å; D501-E505 WeakPolarHBondContact O-CB 3.14Å; D501-E505 PolarHBondContact O-N 2.88Å
502L87.3Confident85.5Confident21 Ų2178.7 Ų78.711%0.1137%0.374CS..Hα-helixtrans-63.3-39.5175.5179.965.7000111.6V494 S499 A506 L540 T544V494-L502 HydrophobicContact CG1-CD2 4.31Å; S499-L502 PolarHBondContact O-N 3.06Å; L502-A506 WeakPolarHBondContact O-CB 3.47Å; L502-A506 PolarHBondContact O-N 3.38Å; L502-L540 HydrophobicContact CD1-CD2 4.15Å; L502-L540 HydrophobicContact CD2-CD2 4.09Å; L502-L540 HydrophobicContact CG-CD2 4.11Å; L502-T544 HydrophobicContact CD2-CG2 3.64Å
503L88.5Confident85.8Confident20 Ų2076 Ų7611%0.10535%0.345CS..Hα-helixtrans-67.2-42177.7-68.6173000111.2F469 I488 V496 S499 E500 D501 A506 E507F469-L503 HydrophobicContact CE2-CD2 3.82Å; F469-L503 HydrophobicContact CZ-CD2 4.37Å; I488-L503 HydrophobicContact CG2-CD2 3.69Å; V496-L503 HydrophobicContact CB-CD1 4.42Å; V496-L503 HydrophobicContact CG1-CD1 3.81Å; V496-L503 HydrophobicContact CG2-CD1 4.48Å; S499-L503 WeakPolarHBondContact O-CG 3.37Å; S499-L503 PolarHBondContact O-N 3.02Å; E500-L503 PolarHBondContact O-N 2.62Å; D501-L503 VanDerWaalsContact C-N 3.32Å; D501-L503 PolarHBondContact O-N 3.21Å; L503-A506 PolarHBondContact O-N 2.88Å; L503-E507 WeakPolarHBondContact O-CG 3.36Å; L503-E507 PolarHBondContact O-N 2.97Å
504R89.9Confident86.1Confident139 Ų13975.7 Ų75.753%0.52534%0.344SS..Hα-helixtrans-62.9-45174.2-76-178.6-173.2155.210.9112E500 D501 A506 E507 E508E500-R504 WeakPolarHBondContact O-CG 3.2Å; E500-R504 PolarHBondContact O-N 3.39Å; E500-R504 IonicContact OE2-NH2 2.76Å; D501-R504 PolarHBondContact O-N 3.32Å; R504-A506 VanDerWaalsContact C-N 3.27Å; R504-A506 PolarHBondContact O-N 3.49Å; R504-E507 WeakPolarHBondContact O-CB 3.46Å; R504-E507 PolarHBondContact O-N 3.35Å; R504-E507 VanDerWaalsContact O-N 3.12Å; R504-E508 WeakPolarHBondContact O-CG 3.39Å; R504-E508 PolarHBondContact O-N 3.38Å
505E91.4Very high86.6Confident94 Ų9478.6 Ų78.644%0.43936%0.355SS..Hα-helixtrans-60.2-41176.4-171.9178.7-171.300111D501 E508 K509 L539D501-E505 WeakPolarHBondContact O-CB 3.14Å; D501-E505 PolarHBondContact O-N 2.88Å; E505-E508 PolarHBondContact O-N 3.04Å; E505-K509 WeakPolarHBondContact O-CB 3.27Å; E505-K509 PolarHBondContact O-N 3.12Å; E505-L539 HydrophobicContact CG-CD1 4.1Å; E505-L539 HydrophobicContact CG-CD2 4.17Å; E505-L539 WeakPolarHBondContact OE1-CD1 3.32Å
506A92.8Very high87.3Confident0 Ų074.9 Ų74.90%035%0.352CS..Hα-helixtrans-66.2-38.9174.400000112.4F469 I488 L502 L503 R504 K509 V510 I536 L539F469-A506 HydrophobicContact CE1-CB 4.48Å; F469-A506 HydrophobicContact CZ-CB 3.77Å; I488-A506 HydrophobicContact CD1-CB 3.51Å; L502-A506 WeakPolarHBondContact O-CB 3.47Å; L502-A506 PolarHBondContact O-N 3.38Å; L503-A506 PolarHBondContact O-N 2.88Å; R504-A506 VanDerWaalsContact C-N 3.27Å; R504-A506 PolarHBondContact O-N 3.49Å; A506-K509 PolarHBondContact O-N 3.28Å; A506-V510 WeakPolarHBondContact O-CG2 3.43Å; A506-V510 PolarHBondContact O-N 2.99Å; A506-I536 HydrophobicContact CB-CD1 4.35Å; A506-L539 HydrophobicContact CB-CD2 4.01Å
507E93.4Very high88.3Confident68 Ų6872.3 Ų72.332%0.31834%0.339SS..Hα-helixtrans-62-45.6174.9-78.1177.1178.900111.6I488 L503 R504 K509 V510 R511I488-E507 HydrophobicContact CB-CG 4.27Å; I488-E507 HydrophobicContact CD1-CB 4.26Å; I488-E507 HydrophobicContact CD1-CG 3.58Å; I488-E507 HydrophobicContact CG1-CG 3.7Å; L503-E507 WeakPolarHBondContact O-CG 3.36Å; L503-E507 PolarHBondContact O-N 2.97Å; R504-E507 WeakPolarHBondContact O-CB 3.46Å; R504-E507 PolarHBondContact O-N 3.35Å; R504-E507 VanDerWaalsContact O-N 3.12Å; E507-K509 VanDerWaalsContact C-N 3.33Å; E507-V510 PolarHBondContact O-N 2.98Å; E507-R511 WeakPolarHBondContact O-CB 3.46Å; E507-R511 PolarHBondContact O-N 2.85Å
508E94.1Very high89.4Confident139 Ų13963.2 Ų63.265%0.6531%0.305SS*.Hα-helixtrans-61-43.8174.9-72.1-176.4167.600111R504 E505 R511 E512R504-E508 WeakPolarHBondContact O-CG 3.39Å; R504-E508 PolarHBondContact O-N 3.38Å; E505-E508 PolarHBondContact O-N 3.04Å; E508-R511 WeakPolarHBondContact O-CB 3.13Å; E508-R511 PolarHBondContact O-N 2.87Å; E508-E512 PolarHBondContact O-N 2.88Å
509K93.8Very high90Very high55 Ų5563.2 Ų63.224%0.23931%0.305CS..Hα-helixtrans-64.6-41.5177.7-164.173.4-160.4160.10112.4E505 A506 E507 R511 E512 I513 I536 L539E505-K509 WeakPolarHBondContact O-CB 3.27Å; E505-K509 PolarHBondContact O-N 3.12Å; A506-K509 PolarHBondContact O-N 3.28Å; E507-K509 VanDerWaalsContact C-N 3.33Å; K509-R511 VanDerWaalsContact C-N 3.34Å; K509-E512 VanDerWaalsContact NZ-CD 3.29Å; K509-E512 IonicContact NZ-OE1 3.58Å; K509-E512 PolarHBondContact NZ-OE1 2.9Å; K509-E512 IonicContact NZ-OE2 3.12Å; K509-E512 PolarHBondContact NZ-OE2 3.33Å; K509-E512 PolarHBondContact O-N 3.49Å; K509-I513 HydrophobicContact CG-CD1 4.18Å; K509-I513 VanDerWaalsContact O-CD1 3.31Å; K509-I513 WeakPolarHBondContact O-CD1 3.39Å; K509-I513 WeakPolarHBondContact O-CG1 3.26Å; K509-I513 PolarHBondContact O-N 3.25Å; K509-I513 VanDerWaalsContact O-N 3.1Å; K509-I536 HydrophobicContact CB-CD1 3.83Å; K509-I536 HydrophobicContact CG-CD1 3.98Å; K509-L539 HydrophobicContact CB-CD2 4.24Å
510V94.3Very high90.2Very high0 Ų066.5 Ų66.50%032%0.317CS..Hα-helixtrans-61.7-44.3173.91710000110.5A471 V473 P486 A506 E507 E512 I513 V514 M532 I536A471-V510 HydrophobicContact CB-CG2 4.11Å; V473-V510 HydrophobicContact CG2-CG1 3.61Å; P486-V510 HydrophobicContact CB-CB 4.02Å; P486-V510 HydrophobicContact CB-CG1 3.64Å; P486-V510 HydrophobicContact CG-CB 3.97Å; P486-V510 HydrophobicContact CG-CG1 3.6Å; A506-V510 WeakPolarHBondContact O-CG2 3.43Å; A506-V510 PolarHBondContact O-N 2.99Å; E507-V510 PolarHBondContact O-N 2.98Å; V510-E512 PolarHBondContact O-N 2.94Å; V510-I513 PolarHBondContact O-N 2.77Å; V510-V514 HydrophobicContact CG1-CG2 4.16Å; V510-V514 WeakPolarHBondContact O-CB 3.32Å; V510-V514 VanDerWaalsContact O-CG2 3.29Å; V510-V514 WeakPolarHBondContact O-CG2 3.48Å; V510-V514 PolarHBondContact O-N 3.01Å; V510-M532 HydrophobicContact CG1-CE 3.59Å; V510-M532 HydrophobicContact CG1-SD 4.38Å; V510-M532 HydrophobicContact CG2-CE 4.21Å; V510-I536 HydrophobicContact CG2-CD1 3.63Å; V510-I536 HydrophobicContact CG2-CG1 3.85Å
511R94.8Very high89.9Confident100 Ų10071.9 Ų71.938%0.37734%0.339SS..Hα-helixtrans-58.6-47.9178.6-175.1-178.9-60.8-78.9-5111I482 G485 P486 E507 E508 K509 I513 V514 E515I482-R511 HydrophobicContact CD1-CG 3.99Å; G485-R511 PolarHBondContact O-NH2 2.85Å; P486-R511 HydrophobicContact CG-CB 4Å; E507-R511 WeakPolarHBondContact O-CB 3.46Å; E507-R511 PolarHBondContact O-N 2.85Å; E508-R511 WeakPolarHBondContact O-CB 3.13Å; E508-R511 PolarHBondContact O-N 2.87Å; K509-R511 VanDerWaalsContact C-N 3.34Å; R511-I513 PolarHBondContact O-N 2.86Å; R511-V514 PolarHBondContact O-N 2.99Å; R511-E515 HydrophobicContact CG-CG 4.36Å; R511-E515 WeakPolarHBondContact CG-OE1 3.11Å; R511-E515 WeakPolarHBondContact O-CB 3.47Å; R511-E515 WeakPolarHBondContact O-CG 3.38Å; R511-E515 PolarHBondContact O-N 3.34Å
512E94.4Very high89.8Confident109 Ų10974.7 Ų74.751%0.50934%0.341SS..Hα-helixtrans-55.9-48.9177-174-165155.900111.8E508 K509 V510 V514 E515 A516E508-E512 PolarHBondContact O-N 2.88Å; K509-E512 VanDerWaalsContact NZ-CD 3.29Å; K509-E512 IonicContact NZ-OE1 3.58Å; K509-E512 PolarHBondContact NZ-OE1 2.9Å; K509-E512 IonicContact NZ-OE2 3.12Å; K509-E512 PolarHBondContact NZ-OE2 3.33Å; K509-E512 PolarHBondContact O-N 3.49Å; V510-E512 PolarHBondContact O-N 2.94Å; E512-V514 PolarHBondContact O-N 3.33Å; E512-E515 PolarHBondContact O-N 3.35Å; E512-A516 WeakPolarHBondContact O-CB 3.44Å; E512-A516 PolarHBondContact O-N 3.47Å
513I92.7Very high89.6Confident8 Ų875.6 Ų75.64%0.04135%0.345CS..Hα-helixtrans-62.8-44.6-178.7-66.2161.5000111.2K509 V510 R511 G517 N531 M532 Q535K509-I513 HydrophobicContact CG-CD1 4.18Å; K509-I513 VanDerWaalsContact O-CD1 3.31Å; K509-I513 WeakPolarHBondContact O-CD1 3.39Å; K509-I513 WeakPolarHBondContact O-CG1 3.26Å; K509-I513 PolarHBondContact O-N 3.25Å; K509-I513 VanDerWaalsContact O-N 3.1Å; V510-I513 PolarHBondContact O-N 2.77Å; R511-I513 PolarHBondContact O-N 2.86Å; I513-G517 PolarHBondContact O-N 3.31Å; I513-N531 HydrophobicContact CG2-CB 3.7Å; I513-M532 HydrophobicContact CG2-CG 3.94Å; I513-Q535 HydrophobicContact CD1-CB 3.59Å; I513-Q535 HydrophobicContact CD1-CG 4.13Å
514V92.2Very high89.5Confident0 Ų077.7 Ų77.70%035%0.354CS..Hα-helixtrans-69.1-44.5-178.3171.90000110.9V473 L475 I482 V510 R511 E512 A516 G517 L518 I528 M532V473-V514 HydrophobicContact CG1-CG1 4.26Å; V473-V514 HydrophobicContact CG1-CG2 4.49Å; V473-V514 HydrophobicContact CG2-CG2 4.25Å; L475-V514 HydrophobicContact CD2-CG1 3.6Å; I482-V514 HydrophobicContact CD1-CB 4.14Å; I482-V514 HydrophobicContact CD1-CG1 3.83Å; I482-V514 HydrophobicContact CG1-CG1 3.74Å; V510-V514 HydrophobicContact CG1-CG2 4.16Å; V510-V514 WeakPolarHBondContact O-CB 3.32Å; V510-V514 VanDerWaalsContact O-CG2 3.29Å; V510-V514 WeakPolarHBondContact O-CG2 3.48Å; V510-V514 PolarHBondContact O-N 3.01Å; R511-V514 PolarHBondContact O-N 2.99Å; E512-V514 PolarHBondContact O-N 3.33Å; V514-A516 VanDerWaalsContact C-N 3.33Å; V514-A516 PolarHBondContact O-N 3.47Å; V514-G517 PolarHBondContact O-N 2.91Å; V514-L518 HydrophobicContact CG1-CD1 3.98Å; V514-L518 HydrophobicContact CG1-CG 4.35Å; V514-L518 WeakPolarHBondContact O-CB 3.41Å; V514-L518 VanDerWaalsContact O-CG 3.26Å; V514-L518 WeakPolarHBondContact O-CG 3.36Å; V514-L518 PolarHBondContact O-N 3.28Å; V514-I528 HydrophobicContact CG2-CG2 3.95Å; V514-M532 HydrophobicContact CG2-SD 4.01Å
515E91.2Very high89.4Confident87 Ų8774.4 Ų74.441%0.40734%0.342SS..Hα-helixtrans-62.7-39.9177.5-73.9177.9-17800111.7I482 R511 E512 L518 Q519I482-E515 HydrophobicContact CD1-CG 4.01Å; R511-E515 HydrophobicContact CG-CG 4.36Å; R511-E515 WeakPolarHBondContact CG-OE1 3.11Å; R511-E515 WeakPolarHBondContact O-CB 3.47Å; R511-E515 WeakPolarHBondContact O-CG 3.38Å; R511-E515 PolarHBondContact O-N 3.34Å; E512-E515 PolarHBondContact O-N 3.35Å; E515-L518 PolarHBondContact O-N 3.3Å; E515-Q519 WeakPolarHBondContact O-CG 3.48Å; E515-Q519 PolarHBondContact O-N 3.48Å
516A89.7Confident89.3Confident55 Ų5573.8 Ų73.846%0.45535%0.348SS..Hα-helixtrans-61.1-48173.400000111.9E512 V514 L518 Q519E512-A516 WeakPolarHBondContact O-CB 3.44Å; E512-A516 PolarHBondContact O-N 3.47Å; V514-A516 VanDerWaalsContact C-N 3.33Å; V514-A516 PolarHBondContact O-N 3.47Å; A516-L518 VanDerWaalsContact C-N 3.29Å; A516-L518 PolarHBondContact O-N 2.99Å; A516-Q519 PolarHBondContact O-N 2.91Å; A516-Q519 VanDerWaalsContact O-N 3.12Å
517G88.8Confident89.2Confident11 Ų1178.1 Ų78.111%0.11337%0.368CS..Hα-helixtrans-63.5-31.8177.300000113.6I513 V514 Q519I513-G517 PolarHBondContact O-N 3.31Å; V514-G517 PolarHBondContact O-N 2.91Å; G517-Q519 VanDerWaalsContact C-N 3.31Å; G517-Q519 PolarHBondContact O-N 3.46Å
518L87.1Confident89.1Confident4 Ų475.1 Ų75.12%0.02135%0.354CS..Hα-helixtrans-70.4-24.7175.3-73.7171.5000113.1L475 R480 I482 V514 E515 A516 I523 W525L475-L518 HydrophobicContact CD1-CD2 4.41Å; L475-L518 HydrophobicContact CD2-CD1 4.28Å; R480-L518 PolarHBondContact NE-O 3.16Å; R480-L518 PolarHBondContact NH2-O 3.48Å; I482-L518 HydrophobicContact CG1-CD1 4.32Å; V514-L518 HydrophobicContact CG1-CD1 3.98Å; V514-L518 HydrophobicContact CG1-CG 4.35Å; V514-L518 WeakPolarHBondContact O-CB 3.41Å; V514-L518 VanDerWaalsContact O-CG 3.26Å; V514-L518 WeakPolarHBondContact O-CG 3.36Å; V514-L518 PolarHBondContact O-N 3.28Å; E515-L518 PolarHBondContact O-N 3.3Å; A516-L518 VanDerWaalsContact C-N 3.29Å; A516-L518 PolarHBondContact O-N 2.99Å; L518-I523 HydrophobicContact CD2-CD1 3.95Å; L518-W525 HydrophobicContact CD2-CZ3 4.44Å
519Q86.3Confident89.1Confident164 Ų16472 Ų7277%0.76634%0.338SS*.Hα-helixtrans-81.5-15.6178.9-72-176.411.200113.9E515 A516 G517E515-Q519 WeakPolarHBondContact O-CG 3.48Å; E515-Q519 PolarHBondContact O-N 3.48Å; A516-Q519 PolarHBondContact O-N 2.91Å; A516-Q519 VanDerWaalsContact O-N 3.12Å; G517-Q519 VanDerWaalsContact C-N 3.31Å; G517-Q519 PolarHBondContact O-N 3.46Å
520E84Confident89.1Confident94 Ų9473.5 Ų73.544%0.43935%0.346SS..SBendtrans-63.7161.9-179.2-64.3-155.8169.400113.1R480 R522R480-E520 PolarHBondContact NH1-O 3.5Å; R480-E520 PolarHBondContact NH2-O 2.95Å; E520-R522 PolarHBondContact O-N 3.28Å
521K75.8Confident89Confident219 Ų21976.3 Ų76.395%0.95236%0.361SS*.SBendtrans-65.6-29.5-180-80.7-176.1178.7177.20113.3
522R83.2Confident88.9Confident182 Ų18271.6 Ų71.669%0.68734%0.344SS*.SBendtrans-132.8124.2180-178.8176171.3-178-5.5107.9E520 E524E520-R522 PolarHBondContact O-N 3.28Å; R522-E524 HydrophobicContact CG-CG 4.43Å; R522-E524 IonicContact CZ-OE1 3.73Å; R522-E524 IonicContact NE-OE1 3.19Å; R522-E524 PolarHBondContact NE-OE1 3.32Å; R522-E524 IonicContact NH1-OE1 3.15Å; R522-E524 IonicContact NH2-OE1 3.38Å; R522-E524 PolarHBondContact NH2-OE1 2.85Å; R522-E524 PolarHBondContact O-N 2.96Å
523I82.5Confident88.9Confident40 Ų4071.9 Ų71.921%0.20534%0.34CS..  trans-84113.1-179.9-56.2170.4000108.1L518 W525 I528L518-I523 HydrophobicContact CD2-CD1 3.95Å; I523-W525 HydrophobicContact CB-CH2 4.48Å; I523-W525 HydrophobicContact CG2-CD2 4.09Å; I523-W525 HydrophobicContact CG2-CE3 3.57Å; I523-W525 HydrophobicContact CG2-CH2 3.45Å; I523-W525 VanDerWaalsContact CG2-CH2 3.45Å; I523-W525 HydrophobicContact CG2-CZ2 3.99Å; I523-W525 HydrophobicContact CG2-CZ3 3.19Å; I523-I528 HydrophobicContact CG2-CD1 3.96Å
524E86.7Confident89Confident64 Ų6475.7 Ų75.730%0.29936%0.36SS..  trans-108.4103.3177-75.5-75.5153.800109.7R522 S526 E527 I528R522-E524 HydrophobicContact CG-CG 4.43Å; R522-E524 IonicContact CZ-OE1 3.73Å; R522-E524 IonicContact NE-OE1 3.19Å; R522-E524 PolarHBondContact NE-OE1 3.32Å; R522-E524 IonicContact NH1-OE1 3.15Å; R522-E524 IonicContact NH2-OE1 3.38Å; R522-E524 PolarHBondContact NH2-OE1 2.85Å; R522-E524 PolarHBondContact O-N 2.96Å; E524-S526 VanDerWaalsContact C-N 3.28Å; E524-S526 PolarHBondContact O-N 3.37Å; E524-E527 HydrophobicContact CB-CB 3.95Å; E524-E527 WeakPolarHBondContact O-CB 3.24Å; E524-E527 PolarHBondContact O-N 3.43Å; E524-I528 PolarHBondContact O-N 3.04Å; E524-I528 VanDerWaalsContact O-N 3.15Å
525W88Confident89.1Confident70 Ų7079 Ų7927%0.26538%0.376SS..Hα-helixtrans-60.8-35.4-175.1-56.8134.4000114L475 P477 L518 I523 E527 I528 K529 I554 E556L475-W525 HydrophobicContact CD1-CE3 4.04Å; L475-W525 HydrophobicContact CD1-CH2 3.69Å; L475-W525 HydrophobicContact CD1-CZ3 3.2Å; P477-W525 HydrophobicContact CG-CZ2 4.47Å; L518-W525 HydrophobicContact CD2-CZ3 4.44Å; I523-W525 HydrophobicContact CB-CH2 4.48Å; I523-W525 HydrophobicContact CG2-CD2 4.09Å; I523-W525 HydrophobicContact CG2-CE3 3.57Å; I523-W525 HydrophobicContact CG2-CH2 3.45Å; I523-W525 VanDerWaalsContact CG2-CH2 3.45Å; I523-W525 HydrophobicContact CG2-CZ2 3.99Å; I523-W525 HydrophobicContact CG2-CZ3 3.19Å; W525-E527 VanDerWaalsContact C-N 3.29Å; W525-E527 PolarHBondContact O-N 3.1Å; W525-I528 HydrophobicContact CE3-CD1 4.01Å; W525-I528 HydrophobicContact CZ3-CD1 4.1Å; W525-K529 WeakPolarHBondContact O-CB 3.45Å; W525-K529 WeakPolarHBondContact O-CG 3.36Å; W525-K529 PolarHBondContact O-N 3.13Å; W525-I554 HydrophobicContact CE3-CG2 4.33Å; W525-E556 HydrophobicContact CZ2-CG 4.26Å; W525-E556 WeakPolarHBondContact CZ2-OE1 3.42Å; W525-E556 PolarHBondContact NE1-OE1 3.15Å
526S90Very high89.2Confident80 Ų8075 Ų7556%0.55936%0.357SS*.Hα-helixtrans-62.7-37.917642.60000111.8E524 Q530E524-S526 VanDerWaalsContact C-N 3.28Å; E524-S526 PolarHBondContact O-N 3.37Å; S526-Q530 WeakPolarHBondContact O-CB 3.23Å; S526-Q530 PolarHBondContact O-N 2.86Å
527E90.8Very high89.4Confident91 Ų9173.8 Ų73.843%0.42535%0.345SS..Hα-helixtrans-71.5-43.4-180-172.9165.3-166.700111.2E524 W525 K529 Q530 N531E524-E527 HydrophobicContact CB-CB 3.95Å; E524-E527 WeakPolarHBondContact O-CB 3.24Å; E524-E527 PolarHBondContact O-N 3.43Å; W525-E527 VanDerWaalsContact C-N 3.29Å; W525-E527 PolarHBondContact O-N 3.1Å; E527-K529 PolarHBondContact O-N 3.43Å; E527-Q530 PolarHBondContact O-N 3.03Å; E527-N531 WeakPolarHBondContact O-CB 3.46Å; E527-N531 PolarHBondContact O-N 2.93Å; E527-N531 PolarHBondContact O-ND2 3.06Å
528I91.3Very high89.6Confident5 Ų579.4 Ų79.43%0.02637%0.367CS..Hα-helixtrans-59.7-47.6173.6-61.2177.6000110.5V514 I523 E524 W525 Q530 N531 M532 I554V514-I528 HydrophobicContact CG2-CG2 3.95Å; I523-I528 HydrophobicContact CG2-CD1 3.96Å; E524-I528 PolarHBondContact O-N 3.04Å; E524-I528 VanDerWaalsContact O-N 3.15Å; W525-I528 HydrophobicContact CE3-CD1 4.01Å; W525-I528 HydrophobicContact CZ3-CD1 4.1Å; I528-Q530 VanDerWaalsContact C-N 3.31Å; I528-Q530 PolarHBondContact O-N 3.39Å; I528-N531 PolarHBondContact O-N 2.73Å; I528-M532 HydrophobicContact CG2-CG 4.47Å; I528-M532 HydrophobicContact CG2-SD 4.17Å; I528-M532 WeakPolarHBondContact O-CB 3.48Å; I528-M532 VanDerWaalsContact O-CG 3.26Å; I528-M532 WeakPolarHBondContact O-CG 3.42Å; I528-M532 PolarHBondContact O-N 3.19Å; I528-I554 HydrophobicContact CB-CD1 4.14Å; I528-I554 HydrophobicContact CG2-CD1 3.74Å
529K93.2Very high89.8Confident74 Ų7480.1 Ų80.132%0.32237%0.37SS..Hα-helixtrans-60.5-39.7177.2-74.7179.2-177.6179.10112.1W525 E527 R533 P552 I554W525-K529 WeakPolarHBondContact O-CB 3.45Å; W525-K529 WeakPolarHBondContact O-CG 3.36Å; W525-K529 PolarHBondContact O-N 3.13Å; E527-K529 PolarHBondContact O-N 3.43Å; K529-R533 WeakPolarHBondContact O-CG 2.91Å; K529-R533 PolarHBondContact O-N 2.76Å; K529-R533 VanDerWaalsContact O-N 3.07Å; K529-P552 HydrophobicContact CB-CB 4.36Å; K529-P552 HydrophobicContact CB-CG 3.82Å; K529-P552 HydrophobicContact CG-CB 4.19Å; K529-P552 HydrophobicContact CG-CG 4.02Å; K529-I554 HydrophobicContact CG-CD1 3.71Å; K529-I554 HydrophobicContact CG-CG1 4.13Å
530Q93.3Very high90.1Very high87 Ų8772.3 Ų72.341%0.40733%0.334SS..Hα-helixtrans-68.2-46.2178.6-172.556.443.700111.4S526 E527 I528 M532 R533 D534S526-Q530 WeakPolarHBondContact O-CB 3.23Å; S526-Q530 PolarHBondContact O-N 2.86Å; E527-Q530 PolarHBondContact O-N 3.03Å; I528-Q530 VanDerWaalsContact C-N 3.31Å; I528-Q530 PolarHBondContact O-N 3.39Å; Q530-M532 VanDerWaalsContact C-N 3.29Å; Q530-M532 PolarHBondContact O-N 3.27Å; Q530-R533 WeakPolarHBondContact O-CB 3.48Å; Q530-R533 PolarHBondContact O-N 3.3Å; Q530-D534 VanDerWaalsContact NE2-CG 3.29Å; Q530-D534 PolarHBondContact NE2-OD1 3.39Å; Q530-D534 PolarHBondContact O-N 2.6Å; Q530-D534 PolarHBondContact NE2-OD2 3.25Å
531N93Very high90.5Very high59 Ų5971.2 Ų71.232%0.31633%0.328SS..Hα-helixtrans-59.9-39.3175.3-75.6-29.4000112.1I513 E527 I528 D534 Q535I513-N531 HydrophobicContact CG2-CB 3.7Å; E527-N531 WeakPolarHBondContact O-CB 3.46Å; E527-N531 PolarHBondContact O-N 2.93Å; E527-N531 PolarHBondContact O-ND2 3.06Å; I528-N531 PolarHBondContact O-N 2.73Å; N531-D534 PolarHBondContact O-N 3.44Å; N531-Q535 WeakPolarHBondContact O-CB 3.33Å; N531-Q535 PolarHBondContact O-N 3.44Å; N531-Q535 WeakPolarHBondContact O-CG 3.39Å
532M93.2Very high91.2Very high1 Ų165.9 Ų65.91%0.00531%0.306CS..Hα-helixtrans-58.8-48.1171.7-73.6174.167.300111.1A471 V473 V510 I513 V514 I528 Q530 D534 I536 P552 I554A471-M532 HydrophobicContact CB-CE 3.73Å; V473-M532 HydrophobicContact CG2-CE 4.26Å; V510-M532 HydrophobicContact CG1-CE 3.59Å; V510-M532 HydrophobicContact CG1-SD 4.38Å; V510-M532 HydrophobicContact CG2-CE 4.21Å; I513-M532 HydrophobicContact CG2-CG 3.94Å; V514-M532 HydrophobicContact CG2-SD 4.01Å; I528-M532 HydrophobicContact CG2-CG 4.47Å; I528-M532 HydrophobicContact CG2-SD 4.17Å; I528-M532 WeakPolarHBondContact O-CB 3.48Å; I528-M532 VanDerWaalsContact O-CG 3.26Å; I528-M532 WeakPolarHBondContact O-CG 3.42Å; I528-M532 PolarHBondContact O-N 3.19Å; Q530-M532 VanDerWaalsContact C-N 3.29Å; Q530-M532 PolarHBondContact O-N 3.27Å; M532-D534 PolarHBondContact O-N 2.95Å; M532-I536 WeakPolarHBondContact O-CB 3.48Å; M532-I536 WeakPolarHBondContact O-CG1 3.34Å; M532-I536 PolarHBondContact O-N 3.3Å; M532-P552 HydrophobicContact CB-CB 4.1Å; M532-P552 HydrophobicContact CE-CB 3.6Å; M532-P552 HydrophobicContact SD-CB 3.9Å; M532-I554 HydrophobicContact SD-CD1 4.37Å
533R94.4Very high91.4Very high115 Ų11560.6 Ų60.643%0.43430%0.297SS..Hα-helixtrans-59.7-49.3178.3-71.5177.5-167-155.10.6111.7K529 Q530 S537 I550 P552K529-R533 WeakPolarHBondContact O-CG 2.91Å; K529-R533 PolarHBondContact O-N 2.76Å; K529-R533 VanDerWaalsContact O-N 3.07Å; Q530-R533 WeakPolarHBondContact O-CB 3.48Å; Q530-R533 PolarHBondContact O-N 3.3Å; R533-S537 WeakPolarHBondContact O-CA 3.32Å; R533-S537 WeakPolarHBondContact O-CB 3.29Å; R533-S537 PolarHBondContact O-N 2.83Å; R533-I550 HydrophobicContact CG-CG2 4.31Å; R533-P552 HydrophobicContact CG-CG 3.96Å
534D94Very high91.6Very high87 Ų8760.5 Ų60.547%0.46530%0.298SS..Hα-helixtrans-69.7-46.4-171.6-66-26.8000112.2Q530 N531 M532 K538Q530-D534 VanDerWaalsContact NE2-CG 3.29Å; Q530-D534 PolarHBondContact NE2-OD1 3.39Å; Q530-D534 PolarHBondContact O-N 2.6Å; Q530-D534 PolarHBondContact NE2-OD2 3.25Å; N531-D534 PolarHBondContact O-N 3.44Å; M532-D534 PolarHBondContact O-N 2.95Å; D534-K538 WeakPolarHBondContact O-CB 3.48Å; D534-K538 PolarHBondContact O-N 2.89Å
535Q94.4Very high91.8Very high71 Ų7164.1 Ų64.133%0.33231%0.313SS..Hα-helixtrans-74.1-39.6-177.9-65.2-168.644.600112.3I513 N531 K538 L539I513-Q535 HydrophobicContact CD1-CB 3.59Å; I513-Q535 HydrophobicContact CD1-CG 4.13Å; N531-Q535 WeakPolarHBondContact O-CB 3.33Å; N531-Q535 PolarHBondContact O-N 3.44Å; N531-Q535 WeakPolarHBondContact O-CG 3.39Å; Q535-K538 PolarHBondContact O-N 3.49Å; Q535-L539 WeakPolarHBondContact O-CB 3.26Å; Q535-L539 PolarHBondContact O-N 3.24Å
536I93.5Very high91.8Very high1 Ų164.9 Ų64.91%0.00532%0.316CS..Hα-helixtrans-69.2-39175.3-59.6-62000110.3F469 A506 K509 V510 M532 K538 L539 L540 I550F469-I536 HydrophobicContact CD1-CG2 4.09Å; F469-I536 HydrophobicContact CE1-CG2 3.7Å; F469-I536 HydrophobicContact CZ-CG2 4.28Å; A506-I536 HydrophobicContact CB-CD1 4.35Å; K509-I536 HydrophobicContact CB-CD1 3.83Å; K509-I536 HydrophobicContact CG-CD1 3.98Å; V510-I536 HydrophobicContact CG2-CD1 3.63Å; V510-I536 HydrophobicContact CG2-CG1 3.85Å; M532-I536 WeakPolarHBondContact O-CB 3.48Å; M532-I536 WeakPolarHBondContact O-CG1 3.34Å; M532-I536 PolarHBondContact O-N 3.3Å; I536-K538 VanDerWaalsContact C-N 3.28Å; I536-K538 PolarHBondContact O-N 3.44Å; I536-L539 PolarHBondContact O-N 3.12Å; I536-L540 HydrophobicContact CG2-CG 3.93Å; I536-L540 PolarHBondContact O-N 3.45Å; I536-L540 WeakPolarHBondContact O-CG 3.2Å; I536-L540 VanDerWaalsContact O-CG 3.23Å; I536-L540 WeakPolarHBondContact O-CB 3.31Å; I536-L540 HydrophobicContact CG2-CD1 3.72Å; I536-I550 HydrophobicContact CB-CD1 4.12Å; I536-I550 HydrophobicContact CG2-CD1 3.89Å; I536-I550 HydrophobicContact CG2-CG1 4.46Å
537S92.9Very high91.8Very high30 Ų3068.2 Ų68.221%0.2132%0.316CS..Hα-helixtrans-58.4-43.3174.4179.60000111.5R533 F541 I550R533-S537 WeakPolarHBondContact O-CA 3.32Å; R533-S537 WeakPolarHBondContact O-CB 3.29Å; R533-S537 PolarHBondContact O-N 2.83Å; S537-F541 PolarHBondContact O-N 2.99Å; S537-F541 VanDerWaalsContact O-CB 3.24Å; S537-F541 WeakPolarHBondContact O-CB 3.35Å; S537-I550 VanDerWaalsContact N-CD1 3.26Å; S537-I550 VanDerWaalsContact CA-CD1 3.41Å
538K93.8Very high91.8Very high130 Ų13064.3 Ų64.357%0.56530%0.299SS*.Hα-helixtrans-63-49.5177.1-174.7178.1174.5-1760111.7D534 Q535 I536 L540 F541 E542D534-K538 WeakPolarHBondContact O-CB 3.48Å; D534-K538 PolarHBondContact O-N 2.89Å; Q535-K538 PolarHBondContact O-N 3.49Å; I536-K538 VanDerWaalsContact C-N 3.28Å; I536-K538 PolarHBondContact O-N 3.44Å; K538-L540 PolarHBondContact O-N 3.34Å; K538-F541 PolarHBondContact O-N 3.28Å; K538-E542 WeakPolarHBondContact CE-OE1 3.49Å; K538-E542 IonicContact NZ-OE1 3.63Å; K538-E542 WeakPolarHBondContact O-CB 3.49Å; K538-E542 WeakPolarHBondContact O-CG 3.33Å; K538-E542 PolarHBondContact O-N 3.33Å
539L92.4Very high91.9Very high18 Ų1866 Ų669%0.09431%0.307CS..Hα-helixtrans-56.3-52.4178176.566.4000111.5E505 A506 K509 Q535 I536 F541 E542 S543E505-L539 HydrophobicContact CG-CD1 4.1Å; E505-L539 HydrophobicContact CG-CD2 4.17Å; E505-L539 WeakPolarHBondContact OE1-CD1 3.32Å; A506-L539 HydrophobicContact CB-CD2 4.01Å; K509-L539 HydrophobicContact CB-CD2 4.24Å; Q535-L539 WeakPolarHBondContact O-CB 3.26Å; Q535-L539 PolarHBondContact O-N 3.24Å; I536-L539 PolarHBondContact O-N 3.12Å; L539-F541 VanDerWaalsContact C-N 3.33Å; L539-F541 PolarHBondContact O-N 2.9Å; L539-E542 PolarHBondContact O-N 2.87Å; L539-S543 PolarHBondContact O-N 3.29Å; L539-S543 VanDerWaalsContact O-N 3.12Å; L539-S543 PolarHBondContact O-OG 3.34Å
540L91.5Very high91.9Very high0 Ų063.4 Ų63.40%030%0.296CS..Hα-helixtrans-62.8-40-178.6-66.4-176.3000111.6F469 F493 L502 I536 K538 T544 P548 I550F469-L540 HydrophobicContact CB-CD1 4.29Å; F469-L540 HydrophobicContact CD1-CD1 4.11Å; F469-L540 HydrophobicContact CD2-CD1 3.67Å; F469-L540 HydrophobicContact CE1-CD1 4.28Å; F469-L540 HydrophobicContact CE2-CD1 3.85Å; F469-L540 HydrophobicContact CE2-CD2 3.99Å; F469-L540 HydrophobicContact CG-CD1 3.77Å; F469-L540 HydrophobicContact CZ-CD1 4.12Å; F469-L540 HydrophobicContact CZ-CD2 4.28Å; F493-L540 HydrophobicContact CE1-CB 4.41Å; F493-L540 HydrophobicContact CE1-CD1 3.9Å; F493-L540 HydrophobicContact CE1-CD2 3.78Å; F493-L540 HydrophobicContact CE1-CG 4.23Å; F493-L540 HydrophobicContact CZ-CB 3.9Å; F493-L540 HydrophobicContact CZ-CD1 4.13Å; F493-L540 HydrophobicContact CZ-CD2 4.06Å; F493-L540 HydrophobicContact CZ-CG 4.24Å; L502-L540 HydrophobicContact CD1-CD2 4.15Å; L502-L540 HydrophobicContact CD2-CD2 4.09Å; L502-L540 HydrophobicContact CG-CD2 4.11Å; I536-L540 HydrophobicContact CG2-CG 3.93Å; I536-L540 PolarHBondContact O-N 3.45Å; I536-L540 WeakPolarHBondContact O-CG 3.2Å; I536-L540 VanDerWaalsContact O-CG 3.23Å; I536-L540 WeakPolarHBondContact O-CB 3.31Å; I536-L540 HydrophobicContact CG2-CD1 3.72Å; K538-L540 PolarHBondContact O-N 3.34Å; L540-T544 WeakPolarHBondContact O-CB 3.35Å; L540-T544 PolarHBondContact O-N 3.25Å; L540-T544 PolarHBondContact O-OG1 3.45Å; L540-P548 HydrophobicContact CD1-CG 3.58Å; L540-I550 HydrophobicContact CD1-CG1 4.42Å; L540-I550 HydrophobicContact CD1-CD1 4.25Å
541F91.6Very high91.9Very high72 Ų7262.3 Ų62.332%0.31629%0.293SS..Hα-helixtrans-69.3-36.5177.4-175.7-102.1000112.7S537 K538 L539 S543 K545 R547S537-F541 PolarHBondContact O-N 2.99Å; S537-F541 VanDerWaalsContact O-CB 3.24Å; S537-F541 WeakPolarHBondContact O-CB 3.35Å; K538-F541 PolarHBondContact O-N 3.28Å; L539-F541 VanDerWaalsContact C-N 3.33Å; L539-F541 PolarHBondContact O-N 2.9Å; F541-S543 VanDerWaalsContact C-N 3.35Å; F541-K545 WeakPolarHBondContact CE2-O 3.44Å; F541-K545 HydrophobicContact CZ-CD 4.47Å; F541-K545 WeakPolarHBondContact O-CA 3.35Å; F541-K545 PolarHBondContact O-N 3.46Å; F541-R547 HydrophobicContact CG-CG 4.38Å; F541-R547 HydrophobicContact CE2-CG 4.24Å; F541-R547 HydrophobicContact CD2-CG 3.62Å
542E91.8Very high92Very high107 Ų10759.8 Ų59.850%0.528%0.28SS..Hα-helixtrans-63.2-43.8176.8-77.8174.5179.800111.2K538 L539 K545K538-E542 WeakPolarHBondContact CE-OE1 3.49Å; K538-E542 IonicContact NZ-OE1 3.63Å; K538-E542 WeakPolarHBondContact O-CB 3.49Å; K538-E542 WeakPolarHBondContact O-CG 3.33Å; K538-E542 PolarHBondContact O-N 3.33Å; L539-E542 PolarHBondContact O-N 2.87Å; E542-K545 PolarHBondContact O-NZ 3.31Å
543S87Confident92Very high70 Ų7062.3 Ų62.349%0.4930%0.295SS..Hα-helixtrans-80.6-33.1-177.8-57.60000114.3L539 F541L539-S543 PolarHBondContact O-N 3.29Å; L539-S543 VanDerWaalsContact O-N 3.12Å; L539-S543 PolarHBondContact O-OG 3.34Å; F541-S543 VanDerWaalsContact C-N 3.35Å
544T87.9Confident91.8Very high38 Ų3858 Ų5823%0.23328%0.28CS..Hα-helixtrans-118.9-14.2-171.271.50000115F493 V494 L502 L540 R546F493-T544 HydrophobicContact CE2-CG2 4.31Å; F493-T544 WeakPolarHBondContact CE2-OG1 3.42Å; F493-T544 HydrophobicContact CZ-CG2 3.73Å; F493-T544 WeakPolarHBondContact CZ-OG1 3.45Å; V494-T544 HydrophobicContact CG1-CG2 4.05Å; L502-T544 HydrophobicContact CD2-CG2 3.64Å; L540-T544 WeakPolarHBondContact O-CB 3.35Å; L540-T544 PolarHBondContact O-N 3.25Å; L540-T544 PolarHBondContact O-OG1 3.45Å; T544-R546 PolarHBondContact O-N 3.12Å; T544-R546 PolarHBondContact OG1-N 2.9Å
545K90.1Very high91.6Very high140 Ų14056.4 Ų56.461%0.60928%0.276SS*.SBendtrans57.318-169.2-55.2-63.5170.6-152.50114.9F541 E542F541-K545 WeakPolarHBondContact CE2-O 3.44Å; F541-K545 HydrophobicContact CZ-CD 4.47Å; F541-K545 WeakPolarHBondContact O-CA 3.35Å; F541-K545 PolarHBondContact O-N 3.46Å; E542-K545 PolarHBondContact O-NZ 3.31Å
546R87Confident91.3Very high87 Ų8758.2 Ų58.233%0.32828%0.284SS..  trans-116.6159.1176.5-67.8-179.274.3-172.17.9111.2E465 D466 F493 T544E465-R546 PolarHBondContact O-NH2 3.44Å; D466-R546 IonicContact OD1-NE 2.73Å; F493-R546 HydrophobicContact CD2-CB 4.33Å; F493-R546 HydrophobicContact CE2-CB 3.82Å; F493-R546 PolarHBondContact O-NH1 3Å; T544-R546 PolarHBondContact O-N 3.12Å; T544-R546 PolarHBondContact OG1-N 2.9Å
547R90Very high90.8Very high150 Ų15065.9 Ų65.957%0.56632%0.324SS*.  trans-126.977.7-175.8-68.2-169.4176.7-152-0.6111.5D466 F541D466-R547 VanDerWaalsContact CB-O 3.28Å; D466-R547 WeakPolarHBondContact CB-O 3.28Å; F541-R547 HydrophobicContact CG-CG 4.38Å; F541-R547 HydrophobicContact CE2-CG 4.24Å; F541-R547 HydrophobicContact CD2-CG 3.62Å
548P92.2Very high90.7Very high8 Ų867.7 Ų67.75%0.05233%0.33CS..  trans-63.5156-18029.4-34.3000111.3F469 F493 L540 I550F469-P548 HydrophobicContact CB-CB 4.14Å; F469-P548 HydrophobicContact CB-CG 4.1Å; F493-P548 HydrophobicContact CB-CB 4.01Å; F493-P548 HydrophobicContact CD1-CB 4.26Å; F493-P548 HydrophobicContact CD1-CG 3.96Å; F493-P548 HydrophobicContact CD2-CB 3.61Å; F493-P548 HydrophobicContact CD2-CG 3.58Å; F493-P548 HydrophobicContact CE1-CG 4Å; F493-P548 HydrophobicContact CE2-CB 4.15Å; F493-P548 VanDerWaalsContact CE2-CD 3.45Å; F493-P548 HydrophobicContact CE2-CG 3.59Å; F493-P548 HydrophobicContact CG-CB 3.68Å; F493-P548 HydrophobicContact CG-CG 3.78Å; F493-P548 HydrophobicContact CZ-CG 3.82Å; L540-P548 HydrophobicContact CD1-CG 3.58Å; P548-I550 PolarHBondContact O-N 3.23Å; P548-I550 VanDerWaalsContact O-N 3.16Å
549M92.1Very high90.6Very high42 Ų4264.4 Ų64.421%0.20732%0.317CS..EExtended strand (participates in β ladder)trans-67113.6168.6-175.6-178.4-7500109.3D459 L462 L463 G467 I468 F469 I551D459-M549 HydrophobicContact CB-CE 3.98Å; L462-M549 HydrophobicContact CB-CE 3.92Å; L462-M549 HydrophobicContact CD1-CE 3.99Å; L463-M549 HydrophobicContact CD2-CB 4.46Å; L463-M549 HydrophobicContact CD2-SD 4.15Å; L463-M549 HydrophobicContact CG-CE 4.41Å; L463-M549 HydrophobicContact CG-SD 4.48Å; G467-M549 PolarHBondContact O-N 3.39Å; I468-M549 WeakPolarHBondContact CA-O 3.44Å; I468-M549 WeakPolarHBondContact CG1-O 3.35Å; F469-M549 PolarHBondContact N-O 2.9Å; M549-I551 HydrophobicContact CG-CG1 4.29Å; M549-I551 HydrophobicContact SD-CD1 4.27Å
550I93.4Very high90.4Very high18 Ų1867 Ų679%0.09233%0.33CS..EExtended strand (participates in β ladder)trans-95.2119.8-179.7-63.3162000110.5F469 R533 I536 S537 L540 P548 P552F469-I550 HydrophobicContact CB-CG1 4.17Å; F469-I550 HydrophobicContact CD1-CG1 4.48Å; F469-I550 CarbonylContact O-C 3.51Å; F469-I550 VanDerWaalsContact O-CA 3.27Å; F469-I550 WeakPolarHBondContact O-CA 3.49Å; R533-I550 HydrophobicContact CG-CG2 4.31Å; I536-I550 HydrophobicContact CB-CD1 4.12Å; I536-I550 HydrophobicContact CG2-CD1 3.89Å; I536-I550 HydrophobicContact CG2-CG1 4.46Å; S537-I550 VanDerWaalsContact N-CD1 3.26Å; S537-I550 VanDerWaalsContact CA-CD1 3.41Å; L540-I550 HydrophobicContact CD1-CG1 4.42Å; L540-I550 HydrophobicContact CD1-CD1 4.25Å; P548-I550 PolarHBondContact O-N 3.23Å; P548-I550 VanDerWaalsContact O-N 3.16Å; I550-P552 WeakPolarHBondContact O-CD 3.38Å
551I94.2Very high90.4Very high64 Ų6470.9 Ų70.933%0.32835%0.349SS..EExtended strand (participates in β ladder)trans-114.1100.2177.3-53.8-167.1000109.9I468 F469 I470 A471 M549 V553I468-I551 HydrophobicContact CD1-CD1 3.62Å; I468-I551 HydrophobicContact CD1-CG1 4.16Å; I468-I551 HydrophobicContact CG1-CD1 4.43Å; I468-I551 HydrophobicContact CG1-CG1 4.46Å; F469-I551 PolarHBondContact O-N 2.93Å; I470-I551 WeakPolarHBondContact CA-O 3.43Å; I470-I551 HydrophobicContact CG1-CB 4.49Å; A471-I551 PolarHBondContact N-O 2.9Å; M549-I551 HydrophobicContact CG-CG1 4.29Å; M549-I551 HydrophobicContact SD-CD1 4.27Å; I551-V553 HydrophobicContact CG2-CG2 4.13Å
552P93.9Very high90.3Very high6 Ų670.9 Ų70.94%0.03935%0.351CS..EExtended strand (participates in β ladder)trans-81.1121172.932.7-34.5000110.7A471 K529 M532 R533 I550A471-P552 WeakPolarHBondContact O-CA 3.41Å; K529-P552 HydrophobicContact CB-CB 4.36Å; K529-P552 HydrophobicContact CB-CG 3.82Å; K529-P552 HydrophobicContact CG-CB 4.19Å; K529-P552 HydrophobicContact CG-CG 4.02Å; M532-P552 HydrophobicContact CB-CB 4.1Å; M532-P552 HydrophobicContact CE-CB 3.6Å; M532-P552 HydrophobicContact SD-CB 3.9Å; R533-P552 HydrophobicContact CG-CG 3.96Å; I550-P552 WeakPolarHBondContact O-CD 3.38Å
553V93.8Very high90.2Very high54 Ų5468.5 Ų68.533%0.32734%0.341SS..EExtended strand (participates in β ladder)trans-110.9117.6177.2-173.60000108.6I470 A471 V472 V473 I551I470-V553 HydrophobicContact CG2-CG2 4.07Å; A471-V553 PolarHBondContact O-N 2.72Å; V472-V553 CarbonylContact C-O 3.53Å; V472-V553 WeakPolarHBondContact CA-O 3.45Å; V472-V553 HydrophobicContact CG1-CB 4.36Å; V472-V553 HydrophobicContact CG1-CG1 4.47Å; V472-V553 HydrophobicContact CG2-CB 4.16Å; V472-V553 HydrophobicContact CG2-CG2 4.43Å; V473-V553 PolarHBondContact N-O 2.94Å; I551-V553 HydrophobicContact CG2-CG2 4.13Å
554I91.2Very high90.4Very high24 Ų2468.4 Ų68.412%0.12333%0.331CS..EExtended strand (participates in β ladder)trans-113.9124.8176.2-59.6-178.9000107.5V473 L475 W525 I528 K529 M532V473-I554 WeakPolarHBondContact O-CA 3.46Å; L475-I554 HydrophobicContact CD1-CG2 3.36Å; L475-I554 HydrophobicContact CG-CG2 3.87Å; W525-I554 HydrophobicContact CE3-CG2 4.33Å; I528-I554 HydrophobicContact CB-CD1 4.14Å; I528-I554 HydrophobicContact CG2-CD1 3.74Å; K529-I554 HydrophobicContact CG-CD1 3.71Å; K529-I554 HydrophobicContact CG-CG1 4.13Å; M532-I554 HydrophobicContact SD-CD1 4.37Å
555S90.1Very high90.6Very high54 Ų5470.7 Ų70.738%0.37834%0.338SS..EExtended strand (participates in β ladder)trans-118.2149.8174.8-56.50000110.3V473 T474 L475V473-S555 PolarHBondContact O-N 2.98Å; T474-S555 CarbonylContact C-O 3.48Å; T474-S555 WeakPolarHBondContact CA-O 3.45Å; L475-S555 PolarHBondContact N-O 3.38Å
556E87.3Confident90.7Very high109 Ų10964.9 Ų64.951%0.50932%0.315SS..EExtended strand (participates in β ladder)trans-112.1148.9177.7-62.8178-156.600110.5L475 P477 W525L475-E556 CarbonylContact O-C 3.55Å; L475-E556 WeakPolarHBondContact O-CA 3.34Å; P477-E556 HydrophobicContact CG-CB 4.02Å; P477-E556 HydrophobicContact CG-CG 3.79Å; P477-E556 WeakPolarHBondContact CG-OE2 3.43Å; W525-E556 HydrophobicContact CZ2-CG 4.26Å; W525-E556 WeakPolarHBondContact CZ2-OE1 3.42Å; W525-E556 PolarHBondContact NE1-OE1 3.15Å
557I83.2Confident91Very high163 Ų16362.9 Ų62.984%0.83631%0.314SS*.  trans-122.4017379.3165.2000113.3T474 L475 A483T474-I557 HydrophobicContact CG2-CG2 3.3Å; L475-I557 PolarHBondContact O-N 2.72Å; A483-I557 HydrophobicContact CB-CD1 3.74Å; A483-I557 HydrophobicContact CB-CG1 4.02Å

Retrieved 557 of 557 residues in 1773.6 ms (Link to these results)

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