A0A087XHB6_POEFO Loading...

rRNA adenine N(6)-methyltransferase

AlphaFold DB , UniProt , Accession A0A087XHB6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 354 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
1M42.4Very low53.5Low249 Ų249155.3 Ų155.3100%1.22786%0.856SS**  0107.70-71.5-149-115.100108.6
2A42.6Very low54Low106 Ų106154.7 Ų154.788%0.87685%0.85SS**  trans-82.7117.9179.700000109.6S4A2-S4 PolarHBondContact O-N 3.22Å
3A47.1Very low54.8Low99 Ų99151.1 Ų151.182%0.81884%0.838SS**  trans-70.4110.7175.500000109.7R5A3-R5 PolarHBondContact O-N 3.18Å
4S51.8Low55.8Low118 Ų118149.1 Ų149.183%0.82584%0.835SS**  trans-65.4100.5171.2176.60000109.7A2 K6A2-S4 PolarHBondContact O-N 3.22Å; S4-K6 PolarHBondContact O-N 3.04Å
5R52.8Low56.8Low236 Ų236149.7 Ų149.789%0.89184%0.835SS**  trans-64.5111.7169-86.6-179171.1178.4-2.5108.9A3 V7A3-R5 PolarHBondContact O-N 3.18Å; R5-V7 PolarHBondContact O-N 3.14Å; R5-V7 VanDerWaalsContact O-N 3.14Å
6K56.4Low57.7Low204 Ų204144.3 Ų144.389%0.88781%0.808SS**  trans-59.7113.5165.2-82-178.2175.3179.20108.3S4 G8S4-K6 PolarHBondContact O-N 3.04Å; K6-G8 PolarHBondContact O-N 3.46Å; K6-G8 VanDerWaalsContact O-N 3.15Å
7V57.3Low59.1Low134 Ų134140.6 Ų140.681%0.81279%0.79SS**  trans-64.1111.9167.7-179.40000106.7R5 S9R5-V7 PolarHBondContact O-N 3.14Å; R5-V7 VanDerWaalsContact O-N 3.14Å; V7-S9 PolarHBondContact O-N 3.15Å
8G55.8Low60Low58 Ų58133.4 Ų133.460%0.59875%0.75SS**  trans-59.5134.4175.500000109.8K6 L10K6-G8 PolarHBondContact O-N 3.46Å; K6-G8 VanDerWaalsContact O-N 3.15Å; G8-L10 PolarHBondContact O-N 2.98Å
9S61.1Low60.8Low110 Ų110127.7 Ų127.777%0.76972%0.724SS**  trans-57.9113.3176.264.40000109.1V7 R11V7-S9 PolarHBondContact O-N 3.15Å; S9-R11 PolarHBondContact O-N 3.02Å
10L58.6Low61.7Low157 Ų157126.3 Ų126.382%0.82271%0.711SS**  trans-58.9106172.1-87.6139.8000108.6G8 L12G8-L10 PolarHBondContact O-N 2.98Å; L10-L12 PolarHBondContact O-N 3.49Å
11R63.3Low62.3Low237 Ų237121.4 Ų121.489%0.89468%0.683SS**  trans-79.8102.6168.7-98-172.2173.3-175.6-1107.9S9S9-R11 PolarHBondContact O-N 3.02Å
12L58.4Low63.9Low148 Ų148110.8 Ų110.878%0.77563%0.631SS**PPolyproline II helixtrans-65.8149167.4-64.2176000109.9L10L10-L12 PolarHBondContact O-N 3.49Å
13P64.6Low65.5Low108 Ų108113.9 Ų113.970%0.70163%0.625SS**PPolyproline II helixtrans-61.1150.8172.426.8-33.8000110.4
14P69.6Low66.7Low123 Ų123114.8 Ų114.880%0.79962%0.615SS**PPolyproline II helixtrans-61145.4175.827.7-34.3000110.2
15L70.2Confident67.6Low159 Ų159113.4 Ų113.483%0.83259%0.593SS**PPolyproline II helixtrans-62139.9173.5-70.8173.6000109.8T17L15-T17 PolarHBondContact O-N 3.5Å
16P72.1Confident68.6Low63 Ų63107.5 Ų107.541%0.40958%0.579SS.*PPolyproline II helixtrans-56.6136.3177.4-22.631.7000111.6E20 L21P16-E20 WeakPolarHBondContact CA-OE2 3.33Å; P16-E20 HydrophobicContact CB-CB 4.12Å; P16-L21 HydrophobicContact CB-CD2 3.87Å; P16-L21 HydrophobicContact CB-CG 4.06Å; P16-L21 HydrophobicContact CG-CD2 4.3Å
17T80Confident69.3Low81 Ų8198.4 Ų98.450%0.49754%0.54SS..PPolyproline II helixtrans-65.3163.417163.90000111.1L15 G19 E20 L21L15-T17 PolarHBondContact O-N 3.5Å; T17-G19 PolarHBondContact O-N 3.35Å; T17-E20 WeakPolarHBondContact CB-OE2 3.45Å; T17-E20 WeakPolarHBondContact CG2-OE2 3.48Å; T17-E20 PolarHBondContact N-OE2 3.24Å; T17-E20 PolarHBondContact O-N 3.48Å; T17-E20 VanDerWaalsContact OG1-CD 3.31Å; T17-E20 VanDerWaalsContact OG1-CG 3.32Å; T17-E20 WeakPolarHBondContact OG1-CG 3.29Å; T17-E20 PolarHBondContact OG1-N 3.28Å; T17-E20 PolarHBondContact OG1-OE2 2.88Å; T17-L21 WeakPolarHBondContact O-CG 3.16Å; T17-L21 PolarHBondContact O-N 3.29Å
18V75.9Confident69.8Low11 Ų11101 Ų1017%0.06754%0.535CS..Hα-helixtrans-55.7-40.3175.2-1700000111.6L21 I22 L39 P66V18-L21 PolarHBondContact O-N 2.65Å; V18-I22 HydrophobicContact CG1-CD1 4.35Å; V18-I22 VanDerWaalsContact O-CG1 3.27Å; V18-I22 WeakPolarHBondContact O-CG1 3.31Å; V18-I22 PolarHBondContact O-N 2.82Å; V18-L39 HydrophobicContact CB-CD2 4.33Å; V18-L39 HydrophobicContact CG1-CD2 3.66Å; V18-P66 HydrophobicContact CG1-CB 3.57Å; V18-P66 HydrophobicContact CG1-CG 3.99Å
19G75.4Confident70.1Confident25 Ų2599.7 Ų99.726%0.25852%0.519SS..Hα-helixtrans-66.7-34.6177.500000113.6T17 K23T17-G19 PolarHBondContact O-N 3.35Å; G19-K23 WeakPolarHBondContact O-CG 3.38Å; G19-K23 PolarHBondContact O-N 3.32Å
20E78.6Confident70.4Confident100 Ų10098 Ų9847%0.46750%0.498SS..Hα-helixtrans-72.6-39.8176-73161.7151.100111.7P16 T17 I22 K23 L24P16-E20 WeakPolarHBondContact CA-OE2 3.33Å; P16-E20 HydrophobicContact CB-CB 4.12Å; T17-E20 WeakPolarHBondContact CB-OE2 3.45Å; T17-E20 WeakPolarHBondContact CG2-OE2 3.48Å; T17-E20 PolarHBondContact N-OE2 3.24Å; T17-E20 PolarHBondContact O-N 3.48Å; T17-E20 VanDerWaalsContact OG1-CD 3.31Å; T17-E20 VanDerWaalsContact OG1-CG 3.32Å; T17-E20 WeakPolarHBondContact OG1-CG 3.29Å; T17-E20 PolarHBondContact OG1-N 3.28Å; T17-E20 PolarHBondContact OG1-OE2 2.88Å; E20-I22 VanDerWaalsContact C-N 3.29Å; E20-I22 PolarHBondContact O-N 3.14Å; E20-K23 PolarHBondContact O-N 2.93Å; E20-K23 VanDerWaalsContact O-N 3.15Å; E20-L24 VanDerWaalsContact O-CB 3.31Å; E20-L24 WeakPolarHBondContact O-CB 3.35Å; E20-L24 PolarHBondContact O-N 3.4Å
21L73.5Confident70.5Confident24 Ų24100.1 Ų100.113%0.12650%0.501CS..Hα-helixtrans-60.4-41.3173.1-66.9174.2000111.4P16 T17 V18 K23 L24 Y25P16-L21 HydrophobicContact CB-CD2 3.87Å; P16-L21 HydrophobicContact CB-CG 4.06Å; P16-L21 HydrophobicContact CG-CD2 4.3Å; T17-L21 WeakPolarHBondContact O-CG 3.16Å; T17-L21 PolarHBondContact O-N 3.29Å; V18-L21 PolarHBondContact O-N 2.65Å; L21-K23 VanDerWaalsContact C-N 3.3Å; L21-K23 PolarHBondContact O-N 3.41Å; L21-L24 PolarHBondContact O-N 3.47Å; L21-Y25 HydrophobicContact CB-CD2 4.42Å; L21-Y25 HydrophobicContact CD2-CE2 4.09Å; L21-Y25 VanDerWaalsContact O-CD2 3.24Å; L21-Y25 WeakPolarHBondContact O-CD2 3.45Å; L21-Y25 PolarHBondContact O-N 3.09Å
22I76.4Confident70.5Confident25 Ų2597.4 Ų97.413%0.12850%0.499CS..Hα-helixtrans-57.6-44.3174.6-74.5170.9000111.2V18 E20 N26 L27 F37 L39 P66V18-I22 HydrophobicContact CG1-CD1 4.35Å; V18-I22 VanDerWaalsContact O-CG1 3.27Å; V18-I22 WeakPolarHBondContact O-CG1 3.31Å; V18-I22 PolarHBondContact O-N 2.82Å; E20-I22 VanDerWaalsContact C-N 3.29Å; E20-I22 PolarHBondContact O-N 3.14Å; I22-N26 PolarHBondContact O-N 2.98Å; I22-L27 HydrophobicContact CG2-CB 4.23Å; I22-L27 VanDerWaalsContact CG2-O 3.24Å; I22-L27 WeakPolarHBondContact CG2-O 3.49Å; I22-L27 PolarHBondContact O-N 3.39Å; I22-F37 HydrophobicContact CD1-CD2 4.38Å; I22-L39 HydrophobicContact CD1-CD1 3.96Å; I22-L39 HydrophobicContact CD1-CD2 3.53Å; I22-L39 HydrophobicContact CD1-CG 4.4Å; I22-P66 HydrophobicContact CD1-CB 3.78Å; I22-P66 HydrophobicContact CD1-CG 4.02Å; I22-P66 HydrophobicContact CG1-CB 3.9Å
23K77.4Confident70.8Confident172 Ų17293.2 Ų93.275%0.74848%0.477SS*.Hα-helixtrans-68.5-45177.4-69.5176.5-180177.90112G19 E20 L21 Y25 N26G19-K23 WeakPolarHBondContact O-CG 3.38Å; G19-K23 PolarHBondContact O-N 3.32Å; E20-K23 PolarHBondContact O-N 2.93Å; E20-K23 VanDerWaalsContact O-N 3.15Å; L21-K23 VanDerWaalsContact C-N 3.3Å; L21-K23 PolarHBondContact O-N 3.41Å; K23-Y25 VanDerWaalsContact C-N 3.34Å; K23-Y25 PolarHBondContact O-N 3.22Å; K23-N26 PolarHBondContact O-N 3.4Å
24L71.9Confident71.2Confident118 Ų11890.6 Ų90.662%0.61846%0.461SS*.Hα-helixtrans-62-41.4-176.9-174.2147.6000111.8E20 L21 N26E20-L24 VanDerWaalsContact O-CB 3.31Å; E20-L24 WeakPolarHBondContact O-CB 3.35Å; E20-L24 PolarHBondContact O-N 3.4Å; L21-L24 PolarHBondContact O-N 3.47Å; L24-N26 VanDerWaalsContact C-N 3.29Å
25Y70.7Confident71.7Confident88 Ų8885.6 Ų85.635%0.34543%0.427SS..THydrogen-bonded Turntrans-88.17.5176.1-68-66.5000113.5L21 K23 L27 L96L21-Y25 HydrophobicContact CB-CD2 4.42Å; L21-Y25 HydrophobicContact CD2-CE2 4.09Å; L21-Y25 VanDerWaalsContact O-CD2 3.24Å; L21-Y25 WeakPolarHBondContact O-CD2 3.45Å; L21-Y25 PolarHBondContact O-N 3.09Å; K23-Y25 VanDerWaalsContact C-N 3.34Å; K23-Y25 PolarHBondContact O-N 3.22Å; Y25-L27 HydrophobicContact CD2-CD1 4.35Å; Y25-L27 HydrophobicContact CG-CD1 4.36Å; Y25-L27 PolarHBondContact O-N 3.36Å; Y25-L27 VanDerWaalsContact O-N 3.14Å; Y25-L96 WeakPolarHBondContact OH-CD1 3.24Å
26N72.4Confident72.5Confident112 Ų11279.3 Ų79.360%0.59939%0.394SS*.THydrogen-bonded Turntrans47.839.3-175.6-166.631.5000112.9I22 K23 L24 R28I22-N26 PolarHBondContact O-N 2.98Å; K23-N26 PolarHBondContact O-N 3.4Å; L24-N26 VanDerWaalsContact C-N 3.29Å; N26-R28 PolarHBondContact O-N 3.33Å
27L72.1Confident73.3Confident14 Ų1476.9 Ų76.97%0.07338%0.377CS..  trans-7883.8-177.5-64.9166.9000109.2I22 Y25 R89 F90I22-L27 HydrophobicContact CG2-CB 4.23Å; I22-L27 VanDerWaalsContact CG2-O 3.24Å; I22-L27 WeakPolarHBondContact CG2-O 3.49Å; I22-L27 PolarHBondContact O-N 3.39Å; Y25-L27 HydrophobicContact CD2-CD1 4.35Å; Y25-L27 HydrophobicContact CG-CD1 4.36Å; Y25-L27 PolarHBondContact O-N 3.36Å; Y25-L27 VanDerWaalsContact O-N 3.14Å; L27-R89 HydrophobicContact CD2-CB 3.34Å; L27-R89 HydrophobicContact CD2-CG 4.49Å; L27-R89 WeakPolarHBondContact CD2-O 3.49Å; L27-F90 HydrophobicContact CB-CE1 4.05Å; L27-F90 HydrophobicContact CB-CZ 4.47Å; L27-F90 HydrophobicContact CD1-CD1 3.77Å; L27-F90 HydrophobicContact CD1-CE1 3.73Å; L27-F90 HydrophobicContact CD2-CD1 4.34Å; L27-F90 HydrophobicContact CD2-CE1 4.17Å; L27-F90 HydrophobicContact CG-CE1 4.19Å
28R67.6Low73.9Confident187 Ų18773.4 Ų73.471%0.70636%0.356SS*.PPolyproline II helixtrans-80.9137.3170.9-63.2-175.5-175.2-170.6-1.6109N26 E30N26-R28 PolarHBondContact O-N 3.33Å; R28-E30 PolarHBondContact O-N 3.4Å
29A63.1Low74.4Confident31 Ų3175.1 Ų75.126%0.25636%0.364SS..PPolyproline II helixtrans-57126.3171.200000109.1K31 Q35 F37 P221A29-K31 PolarHBondContact O-N 3.1Å; A29-Q35 HydrophobicContact CB-CB 4.37Å; A29-F37 HydrophobicContact CB-CE2 3.7Å; A29-F37 HydrophobicContact CB-CZ 4.11Å; A29-P221 HydrophobicContact CB-CG 3.84Å
30E66.5Low75.2Confident74 Ų7477.4 Ų77.435%0.34637%0.37SS..PPolyproline II helixtrans-82.3120.8175.7-83.9-178.5-164.600109.7R28 Q32 L33 S34 R89R28-E30 PolarHBondContact O-N 3.4Å; E30-Q32 PolarHBondContact O-N 2.83Å; E30-L33 HydrophobicContact CB-CB 4.06Å; E30-L33 HydrophobicContact CB-CD1 4.1Å; E30-L33 HydrophobicContact CB-CG 3.94Å; E30-L33 CarbonylContact O-C 3.19Å; E30-L33 PolarHBondContact O-N 3.46Å; E30-L33 WeakPolarHBondContact OE2-CD1 3.25Å; E30-S34 PolarHBondContact O-N 3.42Å; E30-S34 VanDerWaalsContact O-N 3.12Å; E30-R89 VanDerWaalsContact CD-NH2 3.28Å; E30-R89 VanDerWaalsContact CG-NH2 3.34Å; E30-R89 IonicContact OE1-CZ 3.41Å; E30-R89 IonicContact OE1-NE 2.97Å; E30-R89 IonicContact OE1-NH1 3.29Å; E30-R89 PolarHBondContact OE1-NH1 3.43Å; E30-R89 IonicContact OE1-NH2 3.62Å; E30-R89 PolarHBondContact OE1-NH2 2.86Å; E30-R89 IonicContact OE2-NH2 2.92Å
31K61.7Low75.8Confident203 Ų20376 Ų7688%0.88337%0.365SS*.G310 helixtrans-54.1-37.9173.4-72.1-173.2178-177.70111.2A29 L33 S34A29-K31 PolarHBondContact O-N 3.1Å; K31-L33 VanDerWaalsContact C-N 3.29Å; K31-L33 PolarHBondContact O-N 3.11Å; K31-S34 PolarHBondContact O-N 2.94Å
32Q61.5Low76.9Confident180 Ų18082.7 Ų82.784%0.84139%0.394SS*.G310 helixtrans-62.8-33.7177.4-66.8-174-5.600112.8E30E30-Q32 PolarHBondContact O-N 2.83Å
33L65.7Low77.9Confident60 Ų6083 Ų8331%0.31440%0.396SS..G310 helixtrans-89.6-2.7178.7-59.8-178.8000113.4E30 K31 Q35 D87 P145E30-L33 HydrophobicContact CB-CB 4.06Å; E30-L33 HydrophobicContact CB-CD1 4.1Å; E30-L33 HydrophobicContact CB-CG 3.94Å; E30-L33 CarbonylContact O-C 3.19Å; E30-L33 PolarHBondContact O-N 3.46Å; E30-L33 WeakPolarHBondContact OE2-CD1 3.25Å; K31-L33 VanDerWaalsContact C-N 3.29Å; K31-L33 PolarHBondContact O-N 3.11Å; L33-Q35 HydrophobicContact CB-CG 3.84Å; L33-Q35 PolarHBondContact O-N 3.15Å; L33-Q35 VanDerWaalsContact O-N 3.11Å; L33-D87 HydrophobicContact CD1-CB 4.27Å; L33-P145 WeakPolarHBondContact O-CB 3.24Å
34S72.3Confident78.8Confident53 Ų5374.9 Ų74.937%0.37136%0.36SS..THydrogen-bonded Turntrans50.336.1178.6-61.70000113.6E30 K31 N36E30-S34 PolarHBondContact O-N 3.42Å; E30-S34 VanDerWaalsContact O-N 3.12Å; K31-S34 PolarHBondContact O-N 2.94Å; S34-N36 PolarHBondContact O-ND2 2.95Å
35Q80.5Confident80Confident17 Ų1771.7 Ų71.78%0.07934%0.344CS..  trans-75.5131-175.9-73.1168.6-24.900111.2A29 L33 F37 D87 P221A29-Q35 HydrophobicContact CB-CB 4.37Å; L33-Q35 HydrophobicContact CB-CG 3.84Å; L33-Q35 PolarHBondContact O-N 3.15Å; L33-Q35 VanDerWaalsContact O-N 3.11Å; Q35-F37 HydrophobicContact CB-CE1 3.68Å; Q35-F37 HydrophobicContact CB-CZ 3.72Å; Q35-F37 HydrophobicContact CG-CE1 4.12Å; Q35-F37 HydrophobicContact CG-CZ 4.31Å; Q35-D87 PolarHBondContact NE2-OD2 3.39Å; Q35-P221 WeakPolarHBondContact O-CD 3.47Å
36N87.5Confident81.3Confident27 Ų2771.3 Ų71.314%0.14434%0.344CS..  trans-128.2106.8171.4-61.2-75.5000108.1S34 N143 F219 P221S34-N36 PolarHBondContact O-ND2 2.95Å; N36-N143 PolarHBondContact O-ND2 2.78Å; N36-F219 HydrophobicContact CB-CB 4.11Å; N36-F219 HydrophobicContact CB-CD1 4.08Å; N36-F219 HydrophobicContact CB-CG 4.34Å; N36-P221 PolarHBondContact OD1-O 3.4Å; N36-P221 VanDerWaalsContact OD1-O 3.13Å
37F89.4Confident82.6Confident13 Ų1366 Ų666%0.05732%0.316CS..EExtended strand (participates in β ladder)trans-84.8134.1-174.4-50.7-52.6000111.3I22 A29 Q35 L39 P66 F90 F219 V220I22-F37 HydrophobicContact CD1-CD2 4.38Å; A29-F37 HydrophobicContact CB-CE2 3.7Å; A29-F37 HydrophobicContact CB-CZ 4.11Å; Q35-F37 HydrophobicContact CB-CE1 3.68Å; Q35-F37 HydrophobicContact CB-CZ 3.72Å; Q35-F37 HydrophobicContact CG-CE1 4.12Å; Q35-F37 HydrophobicContact CG-CZ 4.31Å; F37-L39 HydrophobicContact CB-CD2 3.82Å; F37-L39 HydrophobicContact CB-CG 4.29Å; F37-P66 HydrophobicContact CB-CG 4.1Å; F37-P66 VanDerWaalsContact CD1-CD 3.45Å; F37-P66 HydrophobicContact CD1-CG 3.95Å; F37-P66 HydrophobicContact CG-CG 4.05Å; F37-F90 HydrophobicContact CE1-CE1 4.35Å; F37-F90 HydrophobicContact CE1-CE2 4.09Å; F37-F90 AromaticContact CE1-CZ 3.6Å; F37-F90 HydrophobicContact CE1-CZ 3.6Å; F37-F90 HydrophobicContact CE2-CZ 4.26Å; F37-F90 HydrophobicContact CZ-CE1 4.26Å; F37-F90 HydrophobicContact CZ-CE2 4.12Å; F37-F90 AromaticContact CZ-CZ 3.4Å; F37-F90 HydrophobicContact CZ-CZ 3.4Å; F37-F219 CarbonylContact O-C 3.55Å; F37-F219 VanDerWaalsContact O-CA 3.27Å; F37-F219 WeakPolarHBondContact O-CA 3.38Å; F37-V220 WeakPolarHBondContact CB-O 3.39Å; F37-V220 WeakPolarHBondContact CD2-O 3.47Å; F37-V220 WeakPolarHBondContact CG-O 3.11Å; F37-V220 PolarHBondContact N-O 3.39Å; F37-V220 PolarHBondContact O-N 2.55Å
38L90.8Very high83.8Confident8 Ų865.7 Ų65.74%0.04231%0.314CS..EExtended strand (participates in β ladder)trans-99.3102171.7-168.962.6000108.6L43 T44 I47 I214 A218 F219L38-L43 HydrophobicContact CD1-CB 4.18Å; L38-L43 HydrophobicContact CD1-CD1 3.89Å; L38-L43 HydrophobicContact CD2-CB 4.06Å; L38-L43 HydrophobicContact CG-CB 4.32Å; L38-T44 HydrophobicContact CB-CG2 4.3Å; L38-T44 HydrophobicContact CD2-CG2 3.78Å; L38-T44 HydrophobicContact CG-CG2 3.95Å; L38-I47 HydrophobicContact CD2-CD1 3.61Å; L38-I214 HydrophobicContact CD1-CG2 4.45Å; L38-I214 HydrophobicContact CD2-CD1 4.12Å; L38-A218 HydrophobicContact CD1-CB 4.26Å; L38-F219 HydrophobicContact CB-CD1 4.05Å; L38-F219 HydrophobicContact CB-CE1 3.9Å; L38-F219 HydrophobicContact CD1-CD1 4.11Å; L38-F219 HydrophobicContact CD1-CE1 3.93Å; L38-F219 HydrophobicContact CD1-CE2 4.47Å; L38-F219 HydrophobicContact CD1-CG 4.47Å; L38-F219 HydrophobicContact CD1-CZ 4.11Å; L38-F219 HydrophobicContact CD2-CE1 4.38Å; L38-F219 HydrophobicContact CG-CE1 4.3Å
39L88.1Confident85.2Confident47 Ų4764 Ų6425%0.24631%0.308CS..  trans-96.1-13-174.4-53.2-176.2000113.3V18 I22 F37 L41 P66 V220V18-L39 HydrophobicContact CB-CD2 4.33Å; V18-L39 HydrophobicContact CG1-CD2 3.66Å; I22-L39 HydrophobicContact CD1-CD1 3.96Å; I22-L39 HydrophobicContact CD1-CD2 3.53Å; I22-L39 HydrophobicContact CD1-CG 4.4Å; F37-L39 HydrophobicContact CB-CD2 3.82Å; F37-L39 HydrophobicContact CB-CG 4.29Å; L39-L41 PolarHBondContact O-N 2.93Å; L39-P66 HydrophobicContact CD2-CG 3.95Å; L39-V220 HydrophobicContact CD1-CB 4.31Å; L39-V220 HydrophobicContact CD1-CG2 4.21Å
40D91.9Very high86.8Confident72 Ų7264.4 Ų64.439%0.38531%0.305SS..  trans-79.9108.2177.3-178.4-6.7000110.7K42 L43 T44D40-K42 PolarHBondContact O-N 3.12Å; D40-K42 WeakPolarHBondContact OD1-CB 3.27Å; D40-K42 PolarHBondContact OD1-N 3.12Å; D40-L43 HydrophobicContact CB-CB 4.33Å; D40-L43 HydrophobicContact CB-CD1 4.08Å; D40-L43 HydrophobicContact CB-CG 4.28Å; D40-L43 PolarHBondContact O-N 3.2Å; D40-L43 VanDerWaalsContact O-N 3.07Å; D40-T44 PolarHBondContact O-N 2.73Å; D40-T44 VanDerWaalsContact O-N 3.15Å
41L91.8Very high88.1Confident70 Ų7061 Ų6137%0.36629%0.289SS..Hα-helixtrans-60.9-29.6-179.9-69.1178.5000113.1L39 L43 T44 D45 R71L39-L41 PolarHBondContact O-N 2.93Å; L41-L43 VanDerWaalsContact C-N 3.25Å; L41-L43 PolarHBondContact O-N 3.02Å; L41-T44 VanDerWaalsContact CA-OG1 3.26Å; L41-T44 WeakPolarHBondContact CA-OG1 3.32Å; L41-T44 PolarHBondContact O-N 3.16Å; L41-T44 PolarHBondContact O-OG1 3.42Å; L41-D45 VanDerWaalsContact O-CB 3.27Å; L41-D45 WeakPolarHBondContact O-CB 3.38Å; L41-D45 PolarHBondContact O-N 3.3Å; L41-R71 HydrophobicContact CD2-CB 4.26Å
42K95.8Very high89.6Confident166 Ų16652.9 Ų52.972%0.72226%0.263SS*.Hα-helixtrans-65.4-34.3177.4-63.3179.5179.1176.90111.2D40 K46D40-K42 PolarHBondContact O-N 3.12Å; D40-K42 WeakPolarHBondContact OD1-CB 3.27Å; D40-K42 PolarHBondContact OD1-N 3.12Å; K42-K46 WeakPolarHBondContact O-CB 3.38Å; K42-K46 PolarHBondContact O-N 2.87Å; K42-K46 VanDerWaalsContact O-N 3.1Å
43L96.4Very high91.2Very high32 Ų3248.2 Ų48.217%0.16825%0.25CC..Hα-helixtrans-76.5-41.6176.9-71.2175.2000111.7L38 D40 L41 K46 I47 I214 A218L38-L43 HydrophobicContact CD1-CB 4.18Å; L38-L43 HydrophobicContact CD1-CD1 3.89Å; L38-L43 HydrophobicContact CD2-CB 4.06Å; L38-L43 HydrophobicContact CG-CB 4.32Å; D40-L43 HydrophobicContact CB-CB 4.33Å; D40-L43 HydrophobicContact CB-CD1 4.08Å; D40-L43 HydrophobicContact CB-CG 4.28Å; D40-L43 PolarHBondContact O-N 3.2Å; D40-L43 VanDerWaalsContact O-N 3.07Å; L41-L43 VanDerWaalsContact C-N 3.25Å; L41-L43 PolarHBondContact O-N 3.02Å; L43-K46 WeakPolarHBondContact O-CB 3.3Å; L43-K46 PolarHBondContact O-N 2.97Å; L43-I47 WeakPolarHBondContact O-CG1 3.31Å; L43-I47 PolarHBondContact O-N 3.02Å; L43-I214 HydrophobicContact CD1-CG2 4.02Å; L43-A218 HydrophobicContact CD1-CB 3.54Å
44T97.1Very high92.7Very high1 Ų145.5 Ų45.51%0.00624%0.236CC..Hα-helixtrans-65.9-39.9175.153.80000111.6L38 D40 L41 K46 I47 V48 L69 S72L38-T44 HydrophobicContact CB-CG2 4.3Å; L38-T44 HydrophobicContact CD2-CG2 3.78Å; L38-T44 HydrophobicContact CG-CG2 3.95Å; D40-T44 PolarHBondContact O-N 2.73Å; D40-T44 VanDerWaalsContact O-N 3.15Å; L41-T44 VanDerWaalsContact CA-OG1 3.26Å; L41-T44 WeakPolarHBondContact CA-OG1 3.32Å; L41-T44 PolarHBondContact O-N 3.16Å; L41-T44 PolarHBondContact O-OG1 3.42Å; T44-K46 PolarHBondContact O-N 3.25Å; T44-I47 WeakPolarHBondContact O-CB 3.25Å; T44-I47 PolarHBondContact O-N 2.91Å; T44-I47 VanDerWaalsContact O-N 3.1Å; T44-V48 PolarHBondContact O-N 3.27Å; T44-L69 HydrophobicContact CG2-CB 4.16Å; T44-S72 VanDerWaalsContact CB-OG 3.27Å; T44-S72 WeakPolarHBondContact CB-OG 3.37Å; T44-S72 PolarHBondContact OG1-OG 3.14Å
45D97.7Very high93.9Very high51 Ų5146.6 Ų46.627%0.27324%0.24SC..Hα-helixtrans-61.2-37.4172.3-66.3-18.5000110.9L41 V48 R49 S72L41-D45 VanDerWaalsContact O-CB 3.27Å; L41-D45 WeakPolarHBondContact O-CB 3.38Å; L41-D45 PolarHBondContact O-N 3.3Å; D45-V48 PolarHBondContact O-N 3.25Å; D45-R49 WeakPolarHBondContact O-CG 3.22Å; D45-R49 PolarHBondContact O-N 2.84Å; D45-R49 PolarHBondContact O-NH1 3.39Å; D45-S72 PolarHBondContact N-OG 3.48Å; D45-S72 WeakPolarHBondContact OD1-CB 3.45Å; D45-S72 PolarHBondContact OD1-OG 3.24Å
46K98Very high94.6Very high80 Ų8047.8 Ų47.835%0.34826%0.257SS..Hα-helixtrans-64.4-40.7174.8-169.2178.6176177.30111.6K42 L43 T44 R49 Q50 F212K42-K46 WeakPolarHBondContact O-CB 3.38Å; K42-K46 PolarHBondContact O-N 2.87Å; K42-K46 VanDerWaalsContact O-N 3.1Å; L43-K46 WeakPolarHBondContact O-CB 3.3Å; L43-K46 PolarHBondContact O-N 2.97Å; T44-K46 PolarHBondContact O-N 3.25Å; K46-R49 VanDerWaalsContact CA-NH2 3.34Å; K46-Q50 WeakPolarHBondContact O-CG 3.3Å; K46-Q50 PolarHBondContact O-N 2.79Å; K46-F212 HydrophobicContact CB-CZ 4.03Å; K46-F212 HydrophobicContact CD-CD1 4.5Å; K46-F212 HydrophobicContact CD-CD2 4.12Å; K46-F212 HydrophobicContact CD-CE1 4.16Å; K46-F212 HydrophobicContact CD-CE2 3.7Å; K46-F212 HydrophobicContact CD-CG 4.49Å; K46-F212 HydrophobicContact CD-CZ 3.74Å; K46-F212 HydrophobicContact CG-CD1 4.48Å; K46-F212 HydrophobicContact CG-CE1 3.84Å; K46-F212 HydrophobicContact CG-CE2 4.14Å; K46-F212 HydrophobicContact CG-CZ 3.62Å
47I97.9Very high95Very high1 Ų146.5 Ų46.51%0.00525%0.25CC..Hα-helixtrans-60.4-49.6174.1-66170.1000110L38 L43 T44 R49 Q50 A51 L69 I141 T175 T177 F212 I214 V229L38-I47 HydrophobicContact CD2-CD1 3.61Å; L43-I47 WeakPolarHBondContact O-CG1 3.31Å; L43-I47 PolarHBondContact O-N 3.02Å; T44-I47 WeakPolarHBondContact O-CB 3.25Å; T44-I47 PolarHBondContact O-N 2.91Å; T44-I47 VanDerWaalsContact O-N 3.1Å; I47-R49 PolarHBondContact O-N 2.84Å; I47-Q50 WeakPolarHBondContact O-CA 3.46Å; I47-Q50 WeakPolarHBondContact O-CB 3.45Å; I47-Q50 PolarHBondContact O-N 3.12Å; I47-A51 PolarHBondContact O-N 3.42Å; I47-L69 HydrophobicContact CB-CD1 4.26Å; I47-L69 HydrophobicContact CG2-CD1 4.08Å; I47-I141 HydrophobicContact CG2-CG2 4.11Å; I47-T175 HydrophobicContact CG2-CG2 4.13Å; I47-T177 HydrophobicContact CD1-CG2 4.26Å; I47-F212 HydrophobicContact CG1-CZ 3.91Å; I47-I214 HydrophobicContact CD1-CD1 3.97Å; I47-I214 HydrophobicContact CG1-CD1 4.3Å; I47-V229 HydrophobicContact CG1-CG2 4.11Å
48V98Very high95.4Very high7 Ų747.5 Ų47.54%0.04226%0.255CS..Hα-helixtrans-57.3-46.3179.6166.30000111.6T44 D45 Q50 A51 L54 L69 I73 A76T44-V48 PolarHBondContact O-N 3.27Å; D45-V48 PolarHBondContact O-N 3.25Å; V48-Q50 PolarHBondContact O-N 2.79Å; V48-Q50 VanDerWaalsContact O-N 3.13Å; V48-A51 VanDerWaalsContact O-CB 3.31Å; V48-A51 WeakPolarHBondContact O-CB 3.39Å; V48-A51 PolarHBondContact O-N 3.22Å; V48-L54 HydrophobicContact CG1-CD1 3.55Å; V48-L54 HydrophobicContact CG1-CG 4.23Å; V48-L69 HydrophobicContact CG2-CD1 3.85Å; V48-I73 HydrophobicContact CG2-CG1 3.73Å; V48-A76 HydrophobicContact CG1-CB 3.57Å
49R97.2Very high95.8Very high150 Ų15047.1 Ų47.157%0.56625%0.253SS*.Hα-helixtrans-57.7-29.1174.8-73.6-171-61.4-85.43.4113.6D45 K46 I47 A51D45-R49 WeakPolarHBondContact O-CG 3.22Å; D45-R49 PolarHBondContact O-N 2.84Å; D45-R49 PolarHBondContact O-NH1 3.39Å; K46-R49 VanDerWaalsContact CA-NH2 3.34Å; I47-R49 PolarHBondContact O-N 2.84Å; R49-A51 VanDerWaalsContact C-N 3.34Å
50Q96.8Very high96.3Very high41 Ų4144.9 Ų44.919%0.19224%0.241CC..Hα-helixtrans-76.9-20.8177.3-63.2-47.2-6200113.6K46 I47 V48 G52 R211 F212K46-Q50 WeakPolarHBondContact O-CG 3.3Å; K46-Q50 PolarHBondContact O-N 2.79Å; I47-Q50 WeakPolarHBondContact O-CA 3.46Å; I47-Q50 WeakPolarHBondContact O-CB 3.45Å; I47-Q50 PolarHBondContact O-N 3.12Å; V48-Q50 PolarHBondContact O-N 2.79Å; V48-Q50 VanDerWaalsContact O-N 3.13Å; Q50-G52 VanDerWaalsContact C-N 3.28Å; Q50-R211 HydrophobicContact CB-CB 4.14Å; Q50-R211 HydrophobicContact CB-CG 3.98Å; Q50-R211 HydrophobicContact CG-CB 3.78Å; Q50-R211 HydrophobicContact CG-CG 4.17Å; Q50-R211 PolarHBondContact O-NE 3.34Å; Q50-R211 PolarHBondContact O-NH2 3.4Å; Q50-R211 VanDerWaalsContact O-NH2 3.1Å; Q50-F212 HydrophobicContact CG-CD1 3.89Å; Q50-F212 HydrophobicContact CG-CE1 3.6Å
51A94.6Very high96.6Very high2 Ų241.6 Ų41.62%0.01722%0.223CC..Hα-helixtrans-72.6-22.217700000112.8I47 V48 R49 L54 H139 I141 T175I47-A51 PolarHBondContact O-N 3.42Å; V48-A51 VanDerWaalsContact O-CB 3.31Å; V48-A51 WeakPolarHBondContact O-CB 3.39Å; V48-A51 PolarHBondContact O-N 3.22Å; R49-A51 VanDerWaalsContact C-N 3.34Å; A51-L54 HydrophobicContact CB-CD2 4.43Å; A51-H139 PolarHBondContact O-CE1 3.41Å; A51-H139 PolarHBondContact O-ND1 2.97Å; A51-H139 VanDerWaalsContact O-ND1 3.09Å; A51-I141 HydrophobicContact CB-CD1 3.72Å; A51-I141 HydrophobicContact CB-CG1 4.28Å; A51-T175 VanDerWaalsContact CA-OG1 3.3Å; A51-T175 WeakPolarHBondContact CA-OG1 3.39Å; A51-T175 HydrophobicContact CB-CG2 4.32Å; A51-T175 WeakPolarHBondContact CB-OG1 3.41Å
52G92.9Very high96.9Very high32 Ų3238.3 Ų38.333%0.3321%0.206SC..  trans115.3-170.9-175.900000111.5Q50 L54Q50-G52 VanDerWaalsContact C-N 3.28Å; G52-L54 PolarHBondContact O-N 3.06Å
53S94.9Very high96.8Very high82 Ų8231.5 Ų31.557%0.57318%0.183SC*.  trans-65.5130.6168.5-174.90000109.3T55S53-T55 PolarHBondContact OG-N 3.05Å
54L97.1Very high96.8Very high3 Ų330.3 Ų30.32%0.01618%0.177CC..  trans-106.40.1174-58.8-170.8000112.5V48 A51 G52 G56 A57 V59 I73 A76 E77 A78 H139 I141V48-L54 HydrophobicContact CG1-CD1 3.55Å; V48-L54 HydrophobicContact CG1-CG 4.23Å; A51-L54 HydrophobicContact CB-CD2 4.43Å; G52-L54 PolarHBondContact O-N 3.06Å; L54-G56 PolarHBondContact O-N 3.11Å; L54-G56 VanDerWaalsContact O-N 3.14Å; L54-A57 HydrophobicContact CB-CB 4.33Å; L54-A57 HydrophobicContact CD2-CB 4.44Å; L54-A57 WeakPolarHBondContact O-CB 3.41Å; L54-A57 PolarHBondContact O-N 3.37Å; L54-V59 HydrophobicContact CD1-CG2 4.16Å; L54-V59 HydrophobicContact CD2-CG2 4.21Å; L54-I73 HydrophobicContact CD1-CG1 4.41Å; L54-I73 HydrophobicContact CD1-CG2 4.23Å; L54-A76 CarbonylContact C-O 3.48Å; L54-A76 HydrophobicContact CB-CB 4.07Å; L54-A76 HydrophobicContact CD1-CB 4.23Å; L54-A76 HydrophobicContact CG-CB 4.47Å; L54-E77 CarbonylContact O-C 3.57Å; L54-A78 VanDerWaalsContact O-CA 3.25Å; L54-A78 WeakPolarHBondContact O-CA 3.48Å; L54-A78 PolarHBondContact O-N 3.09Å; L54-H139 HydrophobicContact CD2-CB 3.96Å; L54-I141 HydrophobicContact CD1-CD1 3.88Å; L54-I141 HydrophobicContact CD2-CD1 4.39Å
55T96.6Very high96.6Very high77 Ų7730.5 Ų30.547%0.47218%0.18SC..THydrogen-bonded Turntrans-57.6121177.3-55.60000109.8S53 A57 A76 E77S53-T55 PolarHBondContact OG-N 3.05Å; T55-A57 PolarHBondContact O-N 3.35Å; T55-A76 PolarHBondContact N-O 2.68Å; T55-E77 WeakPolarHBondContact CA-O 3.29Å; T55-E77 HydrophobicContact CG2-CB 4.29Å; T55-E77 PolarHBondContact OG1-OE2 3.03Å
56G95.1Very high96.2Very high41 Ų4129.1 Ų29.142%0.42317%0.174SC..THydrogen-bonded Turntrans70.19.3-177.600000114.7L54 E77 N137L54-G56 PolarHBondContact O-N 3.11Å; L54-G56 VanDerWaalsContact O-N 3.14Å; G56-E77 PolarHBondContact N-O 3.4Å; G56-N137 PolarHBondContact O-ND2 3.47Å
57A97.3Very high96Very high0 Ų025.3 Ų25.30%016%0.157CC..  trans-84.5155.7-177.300000112.8L54 T55 V59 A79 D80 N137L54-A57 HydrophobicContact CB-CB 4.33Å; L54-A57 HydrophobicContact CD2-CB 4.44Å; L54-A57 WeakPolarHBondContact O-CB 3.41Å; L54-A57 PolarHBondContact O-N 3.37Å; T55-A57 PolarHBondContact O-N 3.35Å; A57-V59 HydrophobicContact CB-CG2 4.37Å; A57-A79 PolarHBondContact O-N 3.34Å; A57-D80 PolarHBondContact O-N 3.17Å; A57-N137 VanDerWaalsContact CA-ND2 3.33Å; A57-N137 WeakPolarHBondContact CA-ND2 3.41Å; A57-N137 WeakPolarHBondContact CB-OD1 3.49Å; A57-N137 PolarHBondContact N-ND2 3.17Å
58H98.2Very high95.8Very high35 Ų3525.4 Ų25.416%0.16216%0.158CC..EExtended strand (participates in β ladder)trans-90.1130.5163.3-63.1-87.3000108.5D80 F121 I125 N137 L138 H139H58-D80 CarbonylContact C-O 3.47Å; H58-D80 WeakPolarHBondContact CA-O 3.48Å; H58-D80 IonicContact CE1-OD2 2.74Å; H58-D80 WeakPolarHBondContact ND1-CB 3.37Å; H58-D80 IonicContact ND1-OD2 2.71Å; H58-D80 PolarHBondContact ND1-OD2 3.26Å; H58-F121 HydrophobicContact CB-CD1 3.72Å; H58-F121 HydrophobicContact CB-CE1 3.74Å; H58-F121 HydrophobicContact CB-CG 4.39Å; H58-F121 HydrophobicContact CB-CZ 4.43Å; H58-F121 AromaticContact CG-CD1 3.98Å; H58-F121 AromaticContact ND1-CD1 3.66Å; H58-I125 HydrophobicContact CB-CD1 3.89Å; H58-I125 VanDerWaalsContact NE2-CG2 3.31Å; H58-I125 WeakPolarHBondContact NE2-CG2 3.44Å; H58-N137 PolarHBondContact N-O 3.02Å; H58-L138 HydrophobicContact CB-CD1 3.91Å; H58-L138 CarbonylContact O-C 3.54Å; H58-L138 VanDerWaalsContact O-CA 3.3Å; H58-L138 WeakPolarHBondContact O-CA 3.13Å; H58-H139 PolarHBondContact O-N 3.29Å
59V98.6Very high95.7Very high0 Ų025.4 Ų25.40%016%0.158CC..EExtended strand (participates in β ladder)trans-129.2123.6-176.4-1740000109.6L54 A57 I73 A78 D80 V81 L82 H139 I141L54-V59 HydrophobicContact CD1-CG2 4.16Å; L54-V59 HydrophobicContact CD2-CG2 4.21Å; A57-V59 HydrophobicContact CB-CG2 4.37Å; V59-I73 HydrophobicContact CB-CG2 3.86Å; V59-I73 HydrophobicContact CG1-CD1 3.96Å; V59-I73 HydrophobicContact CG1-CG1 4.38Å; V59-I73 HydrophobicContact CG1-CG2 3.72Å; V59-I73 HydrophobicContact CG2-CG2 3.92Å; V59-A78 HydrophobicContact CG2-CB 3.76Å; V59-D80 PolarHBondContact N-O 2.94Å; V59-V81 CarbonylContact O-C 3.6Å; V59-V81 WeakPolarHBondContact O-CA 3.38Å; V59-L82 PolarHBondContact O-N 2.73Å; V59-H139 CarbonylContact C-O 3.57Å; V59-H139 VanDerWaalsContact CA-O 3.28Å; V59-H139 WeakPolarHBondContact CA-O 3.22Å; V59-H139 HydrophobicContact CG2-CB 4.42Å; V59-I141 HydrophobicContact CG1-CD1 3.9Å; V59-I141 HydrophobicContact CG1-CG1 4.07Å
60C98.4Very high95.7Very high0 Ų018.3 Ų18.30%013%0.131CC..EExtended strand (participates in β ladder)trans-96.8113.4163.6-170.20000109L82 M117 F121 H139 I140 I141C60-L82 CarbonylContact C-O 3.53Å; C60-L82 VanDerWaalsContact CA-O 3.25Å; C60-L82 WeakPolarHBondContact CA-O 3.46Å; C60-M117 HydrophobicContact CB-CE 3.41Å; C60-M117 VanDerWaalsContact CB-CE 3.41Å; C60-M117 WeakPolarHBondContact SG-CE 3.27Å; C60-F121 HydrophobicContact CB-CE2 3.99Å; C60-F121 HydrophobicContact CB-CZ 4.07Å; C60-H139 PolarHBondContact N-O 2.93Å; C60-I140 HydrophobicContact CB-CG1 4.3Å; C60-I140 CarbonylContact O-C 3.59Å; C60-I140 WeakPolarHBondContact O-CA 3.45Å; C60-I141 PolarHBondContact O-N 3.3Å
61E98.5Very high95.7Very high2 Ų218.5 Ų18.51%0.00913%0.13CC..EExtended strand (participates in β ladder)trans-89.6133.3166.3-162.8-178.117400110.3P64 L69 T70 I73 L82 V83 V84 I141E61-P64 HydrophobicContact CG-CB 4.45Å; E61-P64 WeakPolarHBondContact OE1-CA 3.31Å; E61-L69 HydrophobicContact CG-CD2 4.17Å; E61-L69 VanDerWaalsContact OE1-CB 3.23Å; E61-L69 WeakPolarHBondContact OE1-CB 3.3Å; E61-T70 VanDerWaalsContact CD-OG1 3.27Å; E61-T70 PolarHBondContact OE1-N 2.96Å; E61-T70 VanDerWaalsContact OE1-N 3.14Å; E61-T70 PolarHBondContact OE1-OG1 3.46Å; E61-T70 WeakPolarHBondContact OE2-CA 3.36Å; E61-T70 WeakPolarHBondContact OE2-CB 3.48Å; E61-T70 PolarHBondContact OE2-N 2.95Å; E61-T70 PolarHBondContact OE2-OG1 3.34Å; E61-I73 HydrophobicContact CB-CD1 4.07Å; E61-I73 HydrophobicContact CG-CD1 3.98Å; E61-L82 PolarHBondContact N-O 2.86Å; E61-V83 HydrophobicContact CB-CB 4.35Å; E61-V83 HydrophobicContact CB-CG1 3.81Å; E61-V83 WeakPolarHBondContact O-CA 3.22Å; E61-V84 PolarHBondContact O-N 3.41Å; E61-I141 CarbonylContact C-O 3.33Å; E61-I141 VanDerWaalsContact CA-O 3.23Å; E61-I141 WeakPolarHBondContact CA-O 3.36Å
62V96.8Very high95.9Very high1 Ų118.4 Ų18.41%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-106.2124.8176.4-173.10000110I112 I140 I141 L144 L152 W156V62-I112 HydrophobicContact CB-CD1 4.35Å; V62-I112 HydrophobicContact CB-CG1 4.22Å; V62-I112 HydrophobicContact CG1-CB 3.43Å; V62-I112 VanDerWaalsContact CG1-CB 3.43Å; V62-I112 HydrophobicContact CG1-CD1 3.85Å; V62-I112 HydrophobicContact CG1-CG1 3.33Å; V62-I112 HydrophobicContact CG1-CG2 3.48Å; V62-I112 VanDerWaalsContact CG1-CG2 3.48Å; V62-I112 HydrophobicContact CG2-CD1 3.61Å; V62-I112 HydrophobicContact CG2-CG1 3.79Å; V62-I140 HydrophobicContact CG2-CG2 4.07Å; V62-I141 PolarHBondContact N-O 2.88Å; V62-L144 HydrophobicContact CB-CD1 4.49Å; V62-L144 HydrophobicContact CB-CD2 3.76Å; V62-L144 HydrophobicContact CG1-CD1 4.21Å; V62-L144 HydrophobicContact CG1-CD2 3.35Å; V62-L144 HydrophobicContact CG1-CG 4.37Å; V62-L144 WeakPolarHBondContact O-CD2 3.38Å; V62-L152 HydrophobicContact CG1-CD2 4.2Å; V62-W156 HydrophobicContact CG2-CH2 3.83Å; V62-W156 HydrophobicContact CG2-CZ2 4.26Å
63G95.1Very high96.1Very high23 Ų2316.9 Ų16.924%0.23711%0.114CC..  trans60.16217900000112.2G65 V84G63-G65 PolarHBondContact O-N 3.36Å; G63-V84 PolarHBondContact N-O 3.41Å
64P95.3Very high96.2Very high7 Ų713.4 Ų13.45%0.0459%0.088CC..  trans-61.2-24.7-17830.7-41.2000113.4E61 G67 T70 V83 V84 E85 L94E61-P64 HydrophobicContact CG-CB 4.45Å; E61-P64 WeakPolarHBondContact OE1-CA 3.31Å; P64-G67 PolarHBondContact O-N 3.42Å; P64-T70 VanDerWaalsContact CB-OG1 3.32Å; P64-T70 WeakPolarHBondContact CB-OG1 3.26Å; P64-V83 HydrophobicContact CB-CB 4.16Å; P64-V83 HydrophobicContact CB-CG1 4.38Å; P64-V83 HydrophobicContact CG-CB 3.82Å; P64-V83 HydrophobicContact CG-CG2 3.99Å; P64-V84 WeakPolarHBondContact CD-O 3.47Å; P64-E85 VanDerWaalsContact CD-OE2 3.24Å; P64-E85 WeakPolarHBondContact CD-OE2 3.39Å; P64-E85 HydrophobicContact CG-CB 3.81Å; P64-E85 HydrophobicContact CG-CG 4.33Å; P64-L94 HydrophobicContact CB-CD1 4.4Å; P64-L94 HydrophobicContact CB-CD2 4.01Å; P64-L94 HydrophobicContact CG-CD1 3.6Å; P64-L94 HydrophobicContact CG-CD2 4.11Å
65G92.6Very high96.2Very high6 Ų618.9 Ų18.96%0.06212%0.118CC..THydrogen-bonded Turntrans49.9-122.6-173.700000110.6G63 G67 E85 F90G63-G65 PolarHBondContact O-N 3.36Å; G65-G67 PolarHBondContact O-N 3.1Å; G65-E85 WeakPolarHBondContact CA-OE2 3.46Å; G65-E85 PolarHBondContact N-OE2 2.95Å; G65-F90 VanDerWaalsContact C-CD1 3.41Å; G65-F90 VanDerWaalsContact C-CG 3.46Å; G65-F90 VanDerWaalsContact O-CB 3.32Å; G65-F90 WeakPolarHBondContact O-CB 3.49Å; G65-F90 WeakPolarHBondContact O-CG 3.42Å
66P90.7Very high96.2Very high22 Ų2216.6 Ų16.614%0.14311%0.107CC..THydrogen-bonded Turntrans-73.21-178.735.4-39.2000114V18 I22 F37 L39 R71 F90V18-P66 HydrophobicContact CG1-CB 3.57Å; V18-P66 HydrophobicContact CG1-CG 3.99Å; I22-P66 HydrophobicContact CD1-CB 3.78Å; I22-P66 HydrophobicContact CD1-CG 4.02Å; I22-P66 HydrophobicContact CG1-CB 3.9Å; F37-P66 HydrophobicContact CB-CG 4.1Å; F37-P66 VanDerWaalsContact CD1-CD 3.45Å; F37-P66 HydrophobicContact CD1-CG 3.95Å; F37-P66 HydrophobicContact CG-CG 4.05Å; L39-P66 HydrophobicContact CD2-CG 3.95Å; P66-R71 PolarHBondContact O-NH1 3.46Å; P66-F90 HydrophobicContact CB-CD1 4.24Å; P66-F90 HydrophobicContact CB-CE1 4.09Å
67G93.5Very high96.3Very high0 Ų020.5 Ų20.50%011%0.114CC..THydrogen-bonded Turntrans80.326.3173.100000114.6P64 G65 T70 R71P64-G67 PolarHBondContact O-N 3.42Å; G65-G67 PolarHBondContact O-N 3.1Å; G67-T70 WeakPolarHBondContact CA-OG1 3.29Å; G67-R71 VanDerWaalsContact O-CG 3.29Å; G67-R71 WeakPolarHBondContact O-CG 3.36Å; G67-R71 PolarHBondContact O-N 3.42Å; G67-R71 VanDerWaalsContact O-N 3.14Å; G67-R71 PolarHBondContact O-NH1 3.13Å
68G93.4Very high96.3Very high2 Ų220.5 Ų20.52%0.02111%0.114CC..Hα-helixtrans-63.3-49.6175.500000111.4R71 S72G68-R71 PolarHBondContact O-N 3.26Å; G68-S72 PolarHBondContact O-N 3.49Å
69L96.4Very high96.2Very high8 Ų821.2 Ų21.24%0.04213%0.126CC..Hα-helixtrans-71.4-36.6177.2177.367.9000111.9T44 I47 V48 E61 R71 S72 I73 I141 N143T44-L69 HydrophobicContact CG2-CB 4.16Å; I47-L69 HydrophobicContact CB-CD1 4.26Å; I47-L69 HydrophobicContact CG2-CD1 4.08Å; V48-L69 HydrophobicContact CG2-CD1 3.85Å; E61-L69 HydrophobicContact CG-CD2 4.17Å; E61-L69 VanDerWaalsContact OE1-CB 3.23Å; E61-L69 WeakPolarHBondContact OE1-CB 3.3Å; L69-R71 VanDerWaalsContact C-N 3.31Å; L69-R71 PolarHBondContact O-N 3.32Å; L69-S72 WeakPolarHBondContact O-CB 3.27Å; L69-S72 PolarHBondContact O-N 3.33Å; L69-S72 VanDerWaalsContact O-N 3.13Å; L69-I73 HydrophobicContact CG-CD1 3.99Å; L69-I73 HydrophobicContact CG-CG1 4.49Å; L69-I73 WeakPolarHBondContact O-CG1 3.46Å; L69-I73 PolarHBondContact O-N 2.96Å; L69-I141 HydrophobicContact CD1-CG2 4.28Å; L69-I141 HydrophobicContact CD2-CG2 3.87Å; L69-I141 HydrophobicContact CG-CG2 4.45Å; L69-N143 HydrophobicContact CD2-CB 4.44Å
70T97.6Very high96.1Very high0 Ų022.3 Ų22.30%013%0.132CC..Hα-helixtrans-53.3-45.2172.1-39.90000112.8E61 P64 G67 S72 I73 L74 V83 L97 L105E61-T70 VanDerWaalsContact CD-OG1 3.27Å; E61-T70 PolarHBondContact OE1-N 2.96Å; E61-T70 VanDerWaalsContact OE1-N 3.14Å; E61-T70 PolarHBondContact OE1-OG1 3.46Å; E61-T70 WeakPolarHBondContact OE2-CA 3.36Å; E61-T70 WeakPolarHBondContact OE2-CB 3.48Å; E61-T70 PolarHBondContact OE2-N 2.95Å; E61-T70 PolarHBondContact OE2-OG1 3.34Å; P64-T70 VanDerWaalsContact CB-OG1 3.32Å; P64-T70 WeakPolarHBondContact CB-OG1 3.26Å; G67-T70 WeakPolarHBondContact CA-OG1 3.29Å; T70-S72 PolarHBondContact O-N 3.4Å; T70-I73 PolarHBondContact O-N 3.31Å; T70-L74 HydrophobicContact CG2-CD1 4.22Å; T70-L74 WeakPolarHBondContact O-CG 3.44Å; T70-L74 PolarHBondContact O-N 2.97Å; T70-V83 HydrophobicContact CG2-CG1 3.91Å; T70-L97 HydrophobicContact CG2-CD2 3.65Å; T70-L105 HydrophobicContact CG2-CD1 3.82Å; T70-L105 HydrophobicContact CG2-CD2 4.02Å
71R96.6Very high96.1Very high45 Ų4522.3 Ų22.317%0.1713%0.132CC..Hα-helixtrans-60.5-46.3177.1-75.1170.3179.588.6-4.5111.5L41 P66 G67 G68 L69 I73 L74 N75 L97L41-R71 HydrophobicContact CD2-CB 4.26Å; P66-R71 PolarHBondContact O-NH1 3.46Å; G67-R71 VanDerWaalsContact O-CG 3.29Å; G67-R71 WeakPolarHBondContact O-CG 3.36Å; G67-R71 PolarHBondContact O-N 3.42Å; G67-R71 VanDerWaalsContact O-N 3.14Å; G67-R71 PolarHBondContact O-NH1 3.13Å; G68-R71 PolarHBondContact O-N 3.26Å; L69-R71 VanDerWaalsContact C-N 3.31Å; L69-R71 PolarHBondContact O-N 3.32Å; R71-I73 VanDerWaalsContact C-N 3.31Å; R71-I73 PolarHBondContact O-N 2.96Å; R71-L74 PolarHBondContact O-N 3.34Å; R71-N75 WeakPolarHBondContact O-CB 3.48Å; R71-N75 PolarHBondContact O-N 3.1Å; R71-N75 PolarHBondContact O-ND2 3.13Å; R71-L97 HydrophobicContact CG-CD1 3.87Å; R71-L97 HydrophobicContact CG-CD2 3.95Å
72S97.6Very high96.1Very high1 Ų122.3 Ų22.31%0.00713%0.132CC..Hα-helixtrans-62.1-37.4177-66.40000112.9T44 D45 G68 L69 T70 A76T44-S72 VanDerWaalsContact CB-OG 3.27Å; T44-S72 WeakPolarHBondContact CB-OG 3.37Å; T44-S72 PolarHBondContact OG1-OG 3.14Å; D45-S72 PolarHBondContact N-OG 3.48Å; D45-S72 WeakPolarHBondContact OD1-CB 3.45Å; D45-S72 PolarHBondContact OD1-OG 3.24Å; G68-S72 PolarHBondContact O-N 3.49Å; L69-S72 WeakPolarHBondContact O-CB 3.27Å; L69-S72 PolarHBondContact O-N 3.33Å; L69-S72 VanDerWaalsContact O-N 3.13Å; T70-S72 PolarHBondContact O-N 3.4Å; S72-A76 WeakPolarHBondContact O-CB 3.45Å; S72-A76 PolarHBondContact O-N 3.22Å; S72-A76 VanDerWaalsContact O-N 3.15Å
73I98.2Very high96.2Very high0 Ų022.2 Ų22.20%013%0.131CC..Hα-helixtrans-66-47.6176.3-68164.4000110.5V48 L54 V59 E61 L69 T70 R71 N75 A76 A78 V81 I141V48-I73 HydrophobicContact CG2-CG1 3.73Å; L54-I73 HydrophobicContact CD1-CG1 4.41Å; L54-I73 HydrophobicContact CD1-CG2 4.23Å; V59-I73 HydrophobicContact CB-CG2 3.86Å; V59-I73 HydrophobicContact CG1-CD1 3.96Å; V59-I73 HydrophobicContact CG1-CG1 4.38Å; V59-I73 HydrophobicContact CG1-CG2 3.72Å; V59-I73 HydrophobicContact CG2-CG2 3.92Å; E61-I73 HydrophobicContact CB-CD1 4.07Å; E61-I73 HydrophobicContact CG-CD1 3.98Å; L69-I73 HydrophobicContact CG-CD1 3.99Å; L69-I73 HydrophobicContact CG-CG1 4.49Å; L69-I73 WeakPolarHBondContact O-CG1 3.46Å; L69-I73 PolarHBondContact O-N 2.96Å; T70-I73 PolarHBondContact O-N 3.31Å; R71-I73 VanDerWaalsContact C-N 3.31Å; R71-I73 PolarHBondContact O-N 2.96Å; I73-N75 VanDerWaalsContact C-N 3.31Å; I73-N75 PolarHBondContact O-N 3.1Å; I73-A76 PolarHBondContact O-N 2.67Å; I73-A76 VanDerWaalsContact O-N 3.11Å; I73-A78 HydrophobicContact CG2-CB 3.9Å; I73-V81 HydrophobicContact CG2-CG1 4Å; I73-V81 HydrophobicContact CG2-CG2 3.66Å; I73-I141 HydrophobicContact CD1-CB 4.37Å; I73-I141 HydrophobicContact CD1-CD1 4.31Å; I73-I141 HydrophobicContact CG1-CD1 4.25Å
74L97.4Very high96.4Very high8 Ų821.3 Ų21.34%0.04212%0.121CC..Hα-helixtrans-62.8-37.1178.5-73.3168.7000112.4T70 R71 A76 E77 V81 L97 R104 L105T70-L74 HydrophobicContact CG2-CD1 4.22Å; T70-L74 WeakPolarHBondContact O-CG 3.44Å; T70-L74 PolarHBondContact O-N 2.97Å; R71-L74 PolarHBondContact O-N 3.34Å; L74-A76 VanDerWaalsContact C-N 3.26Å; L74-A76 PolarHBondContact O-N 3.17Å; L74-E77 PolarHBondContact O-N 2.82Å; L74-V81 HydrophobicContact CD2-CB 4.25Å; L74-V81 HydrophobicContact CD2-CG2 3.75Å; L74-V81 HydrophobicContact CG-CG2 4.37Å; L74-L97 HydrophobicContact CD1-CD1 4.13Å; L74-L97 HydrophobicContact CD1-CD2 4.13Å; L74-L97 HydrophobicContact CD1-CG 3.93Å; L74-R104 HydrophobicContact CD2-CB 4.1Å; L74-R104 PolarHBondContact O-NH1 3.18Å; L74-R104 PolarHBondContact O-NH2 3.14Å; L74-L105 HydrophobicContact CD1-CD2 4.36Å; L74-L105 HydrophobicContact CD2-CB 4.41Å
75N96.5Very high96.4Very high118 Ų11821.4 Ų21.463%0.63112%0.121SC*.Hα-helixtrans-70.5-21.5176-71.1-13.5000113R71 I73 E77R71-N75 WeakPolarHBondContact O-CB 3.48Å; R71-N75 PolarHBondContact O-N 3.1Å; R71-N75 PolarHBondContact O-ND2 3.13Å; I73-N75 VanDerWaalsContact C-N 3.31Å; I73-N75 PolarHBondContact O-N 3.1Å; N75-E77 PolarHBondContact O-N 3.03Å
76A97.1Very high96.5Very high29 Ų2926.9 Ų26.924%0.2414%0.143CC..THydrogen-bonded Turntrans-86.420.2174.400000113.1V48 L54 T55 S72 I73 L74 A78V48-A76 HydrophobicContact CG1-CB 3.57Å; L54-A76 CarbonylContact C-O 3.48Å; L54-A76 HydrophobicContact CB-CB 4.07Å; L54-A76 HydrophobicContact CD1-CB 4.23Å; L54-A76 HydrophobicContact CG-CB 4.47Å; T55-A76 PolarHBondContact N-O 2.68Å; S72-A76 WeakPolarHBondContact O-CB 3.45Å; S72-A76 PolarHBondContact O-N 3.22Å; S72-A76 VanDerWaalsContact O-N 3.15Å; I73-A76 PolarHBondContact O-N 2.67Å; I73-A76 VanDerWaalsContact O-N 3.11Å; L74-A76 VanDerWaalsContact C-N 3.26Å; L74-A76 PolarHBondContact O-N 3.17Å; A76-A78 VanDerWaalsContact C-N 3.26Å; A76-A78 PolarHBondContact O-N 3.36Å
77E95.9Very high96.5Very high123 Ų12326.4 Ų26.458%0.57514%0.139SC*.THydrogen-bonded Turntrans59.930.1172.6-54.4-176.8139.300114.9L54 T55 G56 L74 N75 A79L54-E77 CarbonylContact O-C 3.57Å; T55-E77 WeakPolarHBondContact CA-O 3.29Å; T55-E77 HydrophobicContact CG2-CB 4.29Å; T55-E77 PolarHBondContact OG1-OE2 3.03Å; G56-E77 PolarHBondContact N-O 3.4Å; L74-E77 PolarHBondContact O-N 2.82Å; N75-E77 PolarHBondContact O-N 3.03Å; E77-A79 PolarHBondContact O-N 3.07Å
78A97.4Very high96.5Very high0 Ų029.8 Ų29.80%016%0.163CC..  trans-56.9132.8165.800000110.1L54 V59 I73 A76 V81 R104L54-A78 VanDerWaalsContact O-CA 3.25Å; L54-A78 WeakPolarHBondContact O-CA 3.48Å; L54-A78 PolarHBondContact O-N 3.09Å; V59-A78 HydrophobicContact CG2-CB 3.76Å; I73-A78 HydrophobicContact CG2-CB 3.9Å; A76-A78 VanDerWaalsContact C-N 3.26Å; A76-A78 PolarHBondContact O-N 3.36Å; A78-V81 HydrophobicContact CB-CG2 3.57Å; A78-R104 WeakPolarHBondContact O-CD 3.12Å; A78-R104 PolarHBondContact O-NH1 3.15Å; A78-R104 VanDerWaalsContact O-NH1 3.09Å
79A96.4Very high96.3Very high50 Ų5033 Ų3341%0.41318%0.175SC..SBendtrans-77.3-37-177.800000111.8A57 E77A57-A79 PolarHBondContact O-N 3.34Å; E77-A79 PolarHBondContact O-N 3.07Å
80D97.5Very high96.1Very high24 Ų2432.8 Ų32.813%0.12817%0.173CC..EExtended strand (participates in β ladder)trans-144.5113.3-177.1174.422.5000109.9A57 H58 V59 R106 F121A57-D80 PolarHBondContact O-N 3.17Å; H58-D80 CarbonylContact C-O 3.47Å; H58-D80 WeakPolarHBondContact CA-O 3.48Å; H58-D80 IonicContact CE1-OD2 2.74Å; H58-D80 WeakPolarHBondContact ND1-CB 3.37Å; H58-D80 IonicContact ND1-OD2 2.71Å; H58-D80 PolarHBondContact ND1-OD2 3.26Å; V59-D80 PolarHBondContact N-O 2.94Å; D80-R106 VanDerWaalsContact CG-NH2 3.3Å; D80-R106 IonicContact OD1-CZ 3.95Å; D80-R106 VanDerWaalsContact OD1-CZ 3.29Å; D80-R106 IonicContact OD1-NE 3.72Å; D80-R106 PolarHBondContact OD1-NE 2.83Å; D80-R106 IonicContact OD1-NH2 3.24Å; D80-R106 PolarHBondContact OD1-NH2 3.39Å; D80-R106 IonicContact OD2-CZ 3.74Å; D80-R106 IonicContact OD2-NE 2.85Å; D80-R106 IonicContact OD2-NH2 3.8Å; D80-R106 PolarHBondContact OD2-NH2 2.88Å; D80-F121 VanDerWaalsContact OD2-CD1 3.22Å; D80-F121 WeakPolarHBondContact OD2-CD1 3.24Å; D80-F121 WeakPolarHBondContact OD2-CE1 3.23Å
81V98.6Very high96Very high0 Ų033.8 Ų33.80%018%0.178CC..EExtended strand (participates in β ladder)trans-112.2109.9-177.6-175.30000108.7V59 I73 L74 A78 V83 R104 L105 R106V59-V81 CarbonylContact O-C 3.6Å; V59-V81 WeakPolarHBondContact O-CA 3.38Å; I73-V81 HydrophobicContact CG2-CG1 4Å; I73-V81 HydrophobicContact CG2-CG2 3.66Å; L74-V81 HydrophobicContact CD2-CB 4.25Å; L74-V81 HydrophobicContact CD2-CG2 3.75Å; L74-V81 HydrophobicContact CG-CG2 4.37Å; A78-V81 HydrophobicContact CB-CG2 3.57Å; V81-V83 HydrophobicContact CG1-CG1 4.01Å; V81-R104 PolarHBondContact N-O 3.36Å; V81-L105 HydrophobicContact CB-CD1 4.18Å; V81-L105 HydrophobicContact CG1-CD1 3.93Å; V81-L105 CarbonylContact O-C 3.56Å; V81-L105 WeakPolarHBondContact O-CA 3.03Å; V81-R106 PolarHBondContact O-N 3.2Å
82L98.6Very high95.8Very high1 Ų134.4 Ų34.41%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-96.7123.7171.317660.3000109.4V59 C60 E61 R106 V108 Y115 F121V59-L82 PolarHBondContact O-N 2.73Å; C60-L82 CarbonylContact C-O 3.53Å; C60-L82 VanDerWaalsContact CA-O 3.25Å; C60-L82 WeakPolarHBondContact CA-O 3.46Å; E61-L82 PolarHBondContact N-O 2.86Å; L82-R106 WeakPolarHBondContact CA-O 3.48Å; L82-R106 HydrophobicContact CD1-CB 4.13Å; L82-V108 HydrophobicContact CD1-CB 4.48Å; L82-V108 HydrophobicContact CD1-CG2 3.68Å; L82-Y115 HydrophobicContact CD2-CE1 4.03Å; L82-F121 HydrophobicContact CB-CE1 4.06Å; L82-F121 HydrophobicContact CB-CE2 4.48Å; L82-F121 HydrophobicContact CB-CZ 3.68Å; L82-F121 HydrophobicContact CD2-CE2 4.18Å; L82-F121 HydrophobicContact CD2-CZ 4.18Å
83V98.4Very high95.4Very high0 Ų035.2 Ų35.20%020%0.197CC..EExtended strand (participates in β ladder)trans-112.2135.1173.1-49.50000110.6E61 P64 T70 V81 L94 L105 R106 I107 V108E61-V83 HydrophobicContact CB-CB 4.35Å; E61-V83 HydrophobicContact CB-CG1 3.81Å; E61-V83 WeakPolarHBondContact O-CA 3.22Å; P64-V83 HydrophobicContact CB-CB 4.16Å; P64-V83 HydrophobicContact CB-CG1 4.38Å; P64-V83 HydrophobicContact CG-CB 3.82Å; P64-V83 HydrophobicContact CG-CG2 3.99Å; T70-V83 HydrophobicContact CG2-CG1 3.91Å; V81-V83 HydrophobicContact CG1-CG1 4.01Å; V83-L94 HydrophobicContact CG2-CD1 4.35Å; V83-L105 HydrophobicContact CB-CD1 4.44Å; V83-L105 HydrophobicContact CG1-CD1 3.51Å; V83-L105 HydrophobicContact CG2-CD1 4.09Å; V83-R106 PolarHBondContact N-O 2.88Å; V83-I107 HydrophobicContact CG2-CB 4.16Å; V83-I107 HydrophobicContact CG2-CG1 3.86Å; V83-I107 HydrophobicContact CG2-CG2 4.09Å; V83-V108 PolarHBondContact O-N 2.88Å
84V98.1Very high95.2Very high3 Ų335.3 Ų35.32%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-112.8107.9175.3-174.90000108.3E61 G63 P64 V108 G110 I112 Y115E61-V84 PolarHBondContact O-N 3.41Å; G63-V84 PolarHBondContact N-O 3.41Å; P64-V84 WeakPolarHBondContact CD-O 3.47Å; V84-V108 WeakPolarHBondContact CA-O 3.43Å; V84-V108 HydrophobicContact CG1-CG1 4.43Å; V84-V108 HydrophobicContact CG2-CB 4.35Å; V84-G110 WeakPolarHBondContact CG1-O 3.36Å; V84-I112 HydrophobicContact CB-CD1 4.04Å; V84-I112 HydrophobicContact CG1-CB 4.42Å; V84-I112 HydrophobicContact CG1-CD1 4.25Å; V84-I112 HydrophobicContact CG2-CD1 4.05Å; V84-Y115 HydrophobicContact CG1-CG 4.29Å; V84-Y115 HydrophobicContact CG2-CD1 3.68Å; V84-Y115 HydrophobicContact CG2-CE1 3.85Å; V84-Y115 HydrophobicContact CG2-CG 4.17Å
85E96.3Very high95.1Very high10 Ų1040.6 Ų40.65%0.04722%0.22CC..EExtended strand (participates in β ladder)trans-116.3129.5-178.2-179.149.6-10600110.3P64 G65 D87 F90 I91 L94 V108 H109 G110P64-E85 VanDerWaalsContact CD-OE2 3.24Å; P64-E85 WeakPolarHBondContact CD-OE2 3.39Å; P64-E85 HydrophobicContact CG-CB 3.81Å; P64-E85 HydrophobicContact CG-CG 4.33Å; G65-E85 WeakPolarHBondContact CA-OE2 3.46Å; G65-E85 PolarHBondContact N-OE2 2.95Å; E85-D87 WeakPolarHBondContact CG-O 3.46Å; E85-D87 WeakPolarHBondContact OE1-CB 3.48Å; E85-D87 PolarHBondContact OE1-N 3.06Å; E85-F90 HydrophobicContact CG-CB 4.14Å; E85-I91 HydrophobicContact CB-CD1 3.91Å; E85-I91 HydrophobicContact CG-CD1 4.1Å; E85-L94 HydrophobicContact CB-CD1 4.04Å; E85-L94 HydrophobicContact CG-CD1 4.17Å; E85-V108 PolarHBondContact N-O 2.92Å; E85-H109 CarbonylContact O-C 3.6Å; E85-H109 VanDerWaalsContact O-CA 3.27Å; E85-H109 WeakPolarHBondContact O-CA 3.32Å; E85-H109 PolarHBondContact O-CD2 2.92Å; E85-G110 CarbonylContact C-O 3.5Å; E85-G110 VanDerWaalsContact C-O 3.29Å; E85-G110 PolarHBondContact O-N 2.88Å
86K94.4Very high94.9Very high121 Ų12138.9 Ų38.953%0.52621%0.21SC..  trans-88.6-30-179.1-175.3174.7-179.1169.40112H109 G110 D111K86-H109 PolarHBondContact O-NE2 3.37Å; K86-G110 WeakPolarHBondContact CA-O 3.45Å; K86-G110 PolarHBondContact N-O 3.25Å; K86-D111 HydrophobicContact CD-CB 4.09Å; K86-D111 WeakPolarHBondContact CE-OD2 3.46Å; K86-D111 HydrophobicContact CG-CB 4.49Å; K86-D111 IonicContact NZ-OD2 2.62Å; K86-D111 PolarHBondContact NZ-OD2 3.25Å
87D91.7Very high94.7Very high12 Ų1238.7 Ų38.76%0.06421%0.205CC..  trans-90.9106.5-175.6-177.2-15.3000110.4L33 Q35 E85 R89 F90L33-D87 HydrophobicContact CD1-CB 4.27Å; Q35-D87 PolarHBondContact NE2-OD2 3.39Å; E85-D87 WeakPolarHBondContact CG-O 3.46Å; E85-D87 WeakPolarHBondContact OE1-CB 3.48Å; E85-D87 PolarHBondContact OE1-N 3.06Å; D87-R89 PolarHBondContact O-N 2.85Å; D87-R89 VanDerWaalsContact OD1-CB 3.32Å; D87-R89 WeakPolarHBondContact OD1-CB 3.45Å; D87-R89 VanDerWaalsContact OD1-CG 3.28Å; D87-R89 WeakPolarHBondContact OD1-CG 3.32Å; D87-R89 IonicContact OD1-CZ 4Å; D87-R89 PolarHBondContact OD1-N 3.07Å; D87-R89 VanDerWaalsContact OD1-N 3.12Å; D87-R89 IonicContact OD1-NE 2.74Å; D87-R89 PolarHBondContact OD1-NE 3.02Å; D87-R89 IonicContact OD1-NH2 3.32Å; D87-R89 IonicContact OD2-CZ 3.19Å; D87-R89 IonicContact OD2-NE 2.78Å; D87-R89 PolarHBondContact OD2-NE 3.27Å; D87-R89 IonicContact OD2-NH2 3.91Å; D87-R89 PolarHBondContact OD2-NH2 3.01Å; D87-F90 HydrophobicContact CB-CD2 3.88Å; D87-F90 HydrophobicContact CB-CE2 4.21Å; D87-F90 PolarHBondContact O-N 3.03Å; D87-F90 VanDerWaalsContact O-N 3.16Å; D87-F90 WeakPolarHBondContact OD2-CE2 3.29Å
88S92.7Very high94.7Very high71 Ų7134.3 Ų34.350%0.49719%0.188SC..G310 helixtrans-56.6-21.9-175.962.40000113.8F90 I91 P92S88-F90 VanDerWaalsContact C-N 3.29Å; S88-F90 PolarHBondContact O-N 2.97Å; S88-I91 WeakPolarHBondContact O-CB 3.33Å; S88-I91 WeakPolarHBondContact O-CG1 3.28Å; S88-I91 PolarHBondContact O-N 2.83Å; S88-P92 WeakPolarHBondContact O-CD 3.48Å
89R89.9Confident94.5Very high69 Ų6941.4 Ų41.426%0.2622%0.221SC..G310 helixtrans-70.7-25.1-177-53.5174.6-64.41780.2112.7L27 E30 D87 P92L27-R89 HydrophobicContact CD2-CB 3.34Å; L27-R89 HydrophobicContact CD2-CG 4.49Å; L27-R89 WeakPolarHBondContact CD2-O 3.49Å; E30-R89 VanDerWaalsContact CD-NH2 3.28Å; E30-R89 VanDerWaalsContact CG-NH2 3.34Å; E30-R89 IonicContact OE1-CZ 3.41Å; E30-R89 IonicContact OE1-NE 2.97Å; E30-R89 IonicContact OE1-NH1 3.29Å; E30-R89 PolarHBondContact OE1-NH1 3.43Å; E30-R89 IonicContact OE1-NH2 3.62Å; E30-R89 PolarHBondContact OE1-NH2 2.86Å; E30-R89 IonicContact OE2-NH2 2.92Å; D87-R89 PolarHBondContact O-N 2.85Å; D87-R89 VanDerWaalsContact OD1-CB 3.32Å; D87-R89 WeakPolarHBondContact OD1-CB 3.45Å; D87-R89 VanDerWaalsContact OD1-CG 3.28Å; D87-R89 WeakPolarHBondContact OD1-CG 3.32Å; D87-R89 IonicContact OD1-CZ 4Å; D87-R89 PolarHBondContact OD1-N 3.07Å; D87-R89 VanDerWaalsContact OD1-N 3.12Å; D87-R89 IonicContact OD1-NE 2.74Å; D87-R89 PolarHBondContact OD1-NE 3.02Å; D87-R89 IonicContact OD1-NH2 3.32Å; D87-R89 IonicContact OD2-CZ 3.19Å; D87-R89 IonicContact OD2-NE 2.78Å; D87-R89 PolarHBondContact OD2-NE 3.27Å; D87-R89 IonicContact OD2-NH2 3.91Å; D87-R89 PolarHBondContact OD2-NH2 3.01Å; R89-P92 WeakPolarHBondContact O-CD 3.44Å
90F92Very high94.3Very high4 Ų443 Ų432%0.01823%0.234CC..G310 helixtrans-83.2-17.7175.5-67.1-64.7000113.4L27 F37 G65 P66 E85 D87 S88 G93 L94L27-F90 HydrophobicContact CB-CE1 4.05Å; L27-F90 HydrophobicContact CB-CZ 4.47Å; L27-F90 HydrophobicContact CD1-CD1 3.77Å; L27-F90 HydrophobicContact CD1-CE1 3.73Å; L27-F90 HydrophobicContact CD2-CD1 4.34Å; L27-F90 HydrophobicContact CD2-CE1 4.17Å; L27-F90 HydrophobicContact CG-CE1 4.19Å; F37-F90 HydrophobicContact CE1-CE1 4.35Å; F37-F90 HydrophobicContact CE1-CE2 4.09Å; F37-F90 AromaticContact CE1-CZ 3.6Å; F37-F90 HydrophobicContact CE1-CZ 3.6Å; F37-F90 HydrophobicContact CE2-CZ 4.26Å; F37-F90 HydrophobicContact CZ-CE1 4.26Å; F37-F90 HydrophobicContact CZ-CE2 4.12Å; F37-F90 AromaticContact CZ-CZ 3.4Å; F37-F90 HydrophobicContact CZ-CZ 3.4Å; G65-F90 VanDerWaalsContact C-CD1 3.41Å; G65-F90 VanDerWaalsContact C-CG 3.46Å; G65-F90 VanDerWaalsContact O-CB 3.32Å; G65-F90 WeakPolarHBondContact O-CB 3.49Å; G65-F90 WeakPolarHBondContact O-CG 3.42Å; P66-F90 HydrophobicContact CB-CD1 4.24Å; P66-F90 HydrophobicContact CB-CE1 4.09Å; E85-F90 HydrophobicContact CG-CB 4.14Å; D87-F90 HydrophobicContact CB-CD2 3.88Å; D87-F90 HydrophobicContact CB-CE2 4.21Å; D87-F90 PolarHBondContact O-N 3.03Å; D87-F90 VanDerWaalsContact O-N 3.16Å; D87-F90 WeakPolarHBondContact OD2-CE2 3.29Å; S88-F90 VanDerWaalsContact C-N 3.29Å; S88-F90 PolarHBondContact O-N 2.97Å; F90-G93 PolarHBondContact O-N 2.77Å; F90-L94 HydrophobicContact CB-CD1 4.37Å; F90-L94 WeakPolarHBondContact O-CG 3.23Å; F90-L94 PolarHBondContact O-N 2.87Å
91I94.4Very high94Very high20 Ų2042 Ų4210%0.10323%0.229CC..Hα-helixtrans-57.3-44.1-175.4-57.9-64.8000113E85 S88 G93 L94 K95 I107 H109E85-I91 HydrophobicContact CB-CD1 3.91Å; E85-I91 HydrophobicContact CG-CD1 4.1Å; S88-I91 WeakPolarHBondContact O-CB 3.33Å; S88-I91 WeakPolarHBondContact O-CG1 3.28Å; S88-I91 PolarHBondContact O-N 2.83Å; I91-G93 PolarHBondContact O-N 3.47Å; I91-L94 HydrophobicContact CD1-CD1 4.47Å; I91-L94 PolarHBondContact O-N 2.8Å; I91-K95 HydrophobicContact CG2-CD 4.34Å; I91-K95 HydrophobicContact CG2-CG 4.38Å; I91-K95 WeakPolarHBondContact O-CG 3.34Å; I91-K95 PolarHBondContact O-N 2.96Å; I91-I107 HydrophobicContact CD1-CG2 3.82Å; I91-H109 HydrophobicContact CD1-CB 3.97Å; I91-H109 HydrophobicContact CG1-CB 4.38Å
92P92.1Very high93.7Very high58 Ų5846.4 Ų46.438%0.37727%0.265SS..Hα-helixtrans-59.4-43.4176.8-24.835.5000113.2S88 R89 L94 K95 L96S88-P92 WeakPolarHBondContact O-CD 3.48Å; R89-P92 WeakPolarHBondContact O-CD 3.44Å; P92-L94 VanDerWaalsContact C-N 3.34Å; P92-L94 PolarHBondContact O-N 2.77Å; P92-K95 WeakPolarHBondContact O-CB 3.38Å; P92-K95 PolarHBondContact O-N 3.05Å; P92-L96 PolarHBondContact O-N 2.8Å; P92-L96 VanDerWaalsContact O-N 3.15Å
93G90.3Very high93.4Very high18 Ų1849.4 Ų49.419%0.18630%0.297CS..Hα-helixtrans-66-36.4177.600000112.8F90 I91 L97F90-G93 PolarHBondContact O-N 2.77Å; I91-G93 PolarHBondContact O-N 3.47Å; G93-L97 PolarHBondContact O-N 2.91Å
94L94.4Very high93.3Very high2 Ų253.2 Ų53.21%0.0131%0.311CS..Hα-helixtrans-68-37.9173.7-65.7168.7000111.6P64 V83 E85 F90 I91 P92 L96 L97 S98 I107P64-L94 HydrophobicContact CB-CD1 4.4Å; P64-L94 HydrophobicContact CB-CD2 4.01Å; P64-L94 HydrophobicContact CG-CD1 3.6Å; P64-L94 HydrophobicContact CG-CD2 4.11Å; V83-L94 HydrophobicContact CG2-CD1 4.35Å; E85-L94 HydrophobicContact CB-CD1 4.04Å; E85-L94 HydrophobicContact CG-CD1 4.17Å; F90-L94 HydrophobicContact CB-CD1 4.37Å; F90-L94 WeakPolarHBondContact O-CG 3.23Å; F90-L94 PolarHBondContact O-N 2.87Å; I91-L94 HydrophobicContact CD1-CD1 4.47Å; I91-L94 PolarHBondContact O-N 2.8Å; P92-L94 VanDerWaalsContact C-N 3.34Å; P92-L94 PolarHBondContact O-N 2.77Å; L94-L96 PolarHBondContact O-N 2.97Å; L94-L97 CarbonylContact O-C 3.53Å; L94-L97 WeakPolarHBondContact O-CB 3.25Å; L94-L97 PolarHBondContact O-N 2.83Å; L94-L97 VanDerWaalsContact O-N 3.14Å; L94-S98 PolarHBondContact O-N 2.8Å; L94-I107 HydrophobicContact CB-CD1 3.64Å; L94-I107 HydrophobicContact CB-CG1 4.16Å; L94-I107 HydrophobicContact CD1-CG2 4.46Å; L94-I107 WeakPolarHBondContact O-CD1 3.23Å
95K95Very high93.3Very high120 Ų12053.3 Ų53.352%0.52231%0.312SS..Hα-helixtrans-60.8-43.2175.6-76.7179.4175.4-175.50112I91 P92 L97 S98 E99 I107I91-K95 HydrophobicContact CG2-CD 4.34Å; I91-K95 HydrophobicContact CG2-CG 4.38Å; I91-K95 WeakPolarHBondContact O-CG 3.34Å; I91-K95 PolarHBondContact O-N 2.96Å; P92-K95 WeakPolarHBondContact O-CB 3.38Å; P92-K95 PolarHBondContact O-N 3.05Å; K95-L97 VanDerWaalsContact C-N 3.3Å; K95-L97 PolarHBondContact O-N 2.83Å; K95-S98 WeakPolarHBondContact O-CA 3.43Å; K95-S98 VanDerWaalsContact O-CB 3.24Å; K95-S98 WeakPolarHBondContact O-CB 3.41Å; K95-S98 PolarHBondContact O-N 2.82Å; K95-E99 WeakPolarHBondContact O-CG 3.47Å; K95-E99 PolarHBondContact O-N 2.89Å; K95-I107 HydrophobicContact CB-CD1 4.49Å; K95-I107 HydrophobicContact CG-CD1 4.02Å
96L92.1Very high93.4Very high82 Ų8256.9 Ų56.943%0.42933%0.325SS..Hα-helixtrans-59-42.8172.8-66.9174.7000111.8Y25 P92 L94 S98 E99 A100Y25-L96 WeakPolarHBondContact OH-CD1 3.24Å; P92-L96 PolarHBondContact O-N 2.8Å; P92-L96 VanDerWaalsContact O-N 3.15Å; L94-L96 PolarHBondContact O-N 2.97Å; L96-S98 VanDerWaalsContact C-N 3.25Å; L96-S98 PolarHBondContact O-N 3.41Å; L96-E99 PolarHBondContact O-N 3.24Å; L96-A100 PolarHBondContact O-N 3.14Å; L96-A100 VanDerWaalsContact O-N 3.17Å
97L92.7Very high93.5Very high24 Ų2453.4 Ų53.413%0.12631%0.311CS..Hα-helixtrans-64.2-33.9174.9-17561000111.7T70 R71 L74 G93 L94 K95 A100 S101 L105T70-L97 HydrophobicContact CG2-CD2 3.65Å; R71-L97 HydrophobicContact CG-CD1 3.87Å; R71-L97 HydrophobicContact CG-CD2 3.95Å; L74-L97 HydrophobicContact CD1-CD1 4.13Å; L74-L97 HydrophobicContact CD1-CD2 4.13Å; L74-L97 HydrophobicContact CD1-CG 3.93Å; G93-L97 PolarHBondContact O-N 2.91Å; L94-L97 CarbonylContact O-C 3.53Å; L94-L97 WeakPolarHBondContact O-CB 3.25Å; L94-L97 PolarHBondContact O-N 2.83Å; L94-L97 VanDerWaalsContact O-N 3.14Å; K95-L97 VanDerWaalsContact C-N 3.3Å; K95-L97 PolarHBondContact O-N 2.83Å; L97-A100 PolarHBondContact O-N 2.85Å; L97-S101 WeakPolarHBondContact O-CB 3.3Å; L97-S101 PolarHBondContact O-N 3.49Å; L97-S101 VanDerWaalsContact O-N 3.11Å; L97-L105 HydrophobicContact CB-CD2 4.09Å; L97-L105 HydrophobicContact CD2-CD2 4.1Å; L97-L105 HydrophobicContact CG-CD2 3.9Å
98S95.1Very high93.8Very high31 Ų3154.6 Ų54.622%0.21732%0.319CS..Hα-helixtrans-66.9-45.5178.4-171.60000111.9L94 K95 L96 A100 S101 L105L94-S98 PolarHBondContact O-N 2.8Å; K95-S98 WeakPolarHBondContact O-CA 3.43Å; K95-S98 VanDerWaalsContact O-CB 3.24Å; K95-S98 WeakPolarHBondContact O-CB 3.41Å; K95-S98 PolarHBondContact O-N 2.82Å; L96-S98 VanDerWaalsContact C-N 3.25Å; L96-S98 PolarHBondContact O-N 3.41Å; S98-A100 PolarHBondContact O-N 3.02Å; S98-S101 WeakPolarHBondContact O-CB 3.47Å; S98-S101 PolarHBondContact O-N 3.15Å; S98-S101 PolarHBondContact O-OG 2.87Å; S98-L105 PolarHBondContact OG-O 3.31Å
99E93.8Very high94.1Very high149 Ų14956.7 Ų56.770%0.69632%0.321SS*.Hα-helixtrans-58.6-38.8174.2-69.7164.9-169.100111.2K95 L96 S101K95-E99 WeakPolarHBondContact O-CG 3.47Å; K95-E99 PolarHBondContact O-N 2.89Å; L96-E99 PolarHBondContact O-N 3.24Å; E99-S101 VanDerWaalsContact C-N 3.29Å; E99-S101 PolarHBondContact O-N 3.41Å
100A92.2Very high94.4Very high83 Ų8354.5 Ų54.569%0.68632%0.32SS*.THydrogen-bonded Turntrans-76.3-9176.200000114.7L96 L97 S98L96-A100 PolarHBondContact O-N 3.14Å; L96-A100 VanDerWaalsContact O-N 3.17Å; L97-A100 PolarHBondContact O-N 2.85Å; S98-A100 PolarHBondContact O-N 3.02Å
101S91.9Very high94.5Very high4 Ų456 Ų563%0.02833%0.328CS..THydrogen-bonded Turntrans-93.53.9-171.874.60000115L97 S98 E99 G103 R104 L105L97-S101 WeakPolarHBondContact O-CB 3.3Å; L97-S101 PolarHBondContact O-N 3.49Å; L97-S101 VanDerWaalsContact O-N 3.11Å; S98-S101 WeakPolarHBondContact O-CB 3.47Å; S98-S101 PolarHBondContact O-N 3.15Å; S98-S101 PolarHBondContact O-OG 2.87Å; E99-S101 VanDerWaalsContact C-N 3.29Å; E99-S101 PolarHBondContact O-N 3.41Å; S101-G103 VanDerWaalsContact C-N 3.3Å; S101-G103 PolarHBondContact O-N 2.86Å; S101-R104 WeakPolarHBondContact O-CB 3.49Å; S101-R104 WeakPolarHBondContact O-CG 3.29Å; S101-R104 PolarHBondContact O-N 2.95Å; S101-R104 PolarHBondContact O-NE 3.1Å; S101-R104 VanDerWaalsContact O-NE 3.1Å; S101-L105 VanDerWaalsContact OG-CB 3.29Å; S101-L105 WeakPolarHBondContact OG-CB 3.43Å; S101-L105 PolarHBondContact OG-N 2.55Å; S101-L105 VanDerWaalsContact OG-N 3.12Å
102A90.9Very high94.6Very high92 Ų9255.6 Ų55.676%0.7633%0.326SS*.THydrogen-bonded Turntrans54.841.7-175.400000113.3R104A102-R104 VanDerWaalsContact C-N 3.32Å; A102-R104 PolarHBondContact O-N 2.83Å
103G92.2Very high94.7Very high65 Ų6555.5 Ų55.567%0.6732%0.322SS*.THydrogen-bonded Turntrans80.92.6176.100000115.7S101S101-G103 VanDerWaalsContact C-N 3.3Å; S101-G103 PolarHBondContact O-N 2.86Å
104R96.4Very high94.9Very high79 Ų7959.7 Ų59.730%0.29834%0.344SS..  trans-79.3-23.8-178.8-62.5-177.2-64.8138.9-8.2114L74 A78 V81 S101 A102L74-R104 HydrophobicContact CD2-CB 4.1Å; L74-R104 PolarHBondContact O-NH1 3.18Å; L74-R104 PolarHBondContact O-NH2 3.14Å; A78-R104 WeakPolarHBondContact O-CD 3.12Å; A78-R104 PolarHBondContact O-NH1 3.15Å; A78-R104 VanDerWaalsContact O-NH1 3.09Å; V81-R104 PolarHBondContact N-O 3.36Å; S101-R104 WeakPolarHBondContact O-CB 3.49Å; S101-R104 WeakPolarHBondContact O-CG 3.29Å; S101-R104 PolarHBondContact O-N 2.95Å; S101-R104 PolarHBondContact O-NE 3.1Å; S101-R104 VanDerWaalsContact O-NE 3.1Å; A102-R104 VanDerWaalsContact C-N 3.32Å; A102-R104 PolarHBondContact O-N 2.83Å
105L98.3Very high95Very high5 Ų562.1 Ų62.13%0.02635%0.353CS..EExtended strand (participates in β ladder)trans-95.4128.7-179.9179.158.8000111.1T70 L74 V81 V83 L97 S98 S101 I107T70-L105 HydrophobicContact CG2-CD1 3.82Å; T70-L105 HydrophobicContact CG2-CD2 4.02Å; L74-L105 HydrophobicContact CD1-CD2 4.36Å; L74-L105 HydrophobicContact CD2-CB 4.41Å; V81-L105 HydrophobicContact CB-CD1 4.18Å; V81-L105 HydrophobicContact CG1-CD1 3.93Å; V81-L105 CarbonylContact O-C 3.56Å; V81-L105 WeakPolarHBondContact O-CA 3.03Å; V83-L105 HydrophobicContact CB-CD1 4.44Å; V83-L105 HydrophobicContact CG1-CD1 3.51Å; V83-L105 HydrophobicContact CG2-CD1 4.09Å; L97-L105 HydrophobicContact CB-CD2 4.09Å; L97-L105 HydrophobicContact CD2-CD2 4.1Å; L97-L105 HydrophobicContact CG-CD2 3.9Å; S98-L105 PolarHBondContact OG-O 3.31Å; S101-L105 VanDerWaalsContact OG-CB 3.29Å; S101-L105 WeakPolarHBondContact OG-CB 3.43Å; S101-L105 PolarHBondContact OG-N 2.55Å; S101-L105 VanDerWaalsContact OG-N 3.12Å; L105-I107 HydrophobicContact CG-CG1 4.22Å
106R97.8Very high95Very high86 Ų8663.2 Ų63.233%0.32535%0.354SS..EExtended strand (participates in β ladder)trans-118.4136.3170.6-63.7-178.3-65.5121-6.6109.4D80 V81 L82 V83 G120D80-R106 VanDerWaalsContact CG-NH2 3.3Å; D80-R106 IonicContact OD1-CZ 3.95Å; D80-R106 VanDerWaalsContact OD1-CZ 3.29Å; D80-R106 IonicContact OD1-NE 3.72Å; D80-R106 PolarHBondContact OD1-NE 2.83Å; D80-R106 IonicContact OD1-NH2 3.24Å; D80-R106 PolarHBondContact OD1-NH2 3.39Å; D80-R106 IonicContact OD2-CZ 3.74Å; D80-R106 IonicContact OD2-NE 2.85Å; D80-R106 IonicContact OD2-NH2 3.8Å; D80-R106 PolarHBondContact OD2-NH2 2.88Å; V81-R106 PolarHBondContact O-N 3.2Å; L82-R106 WeakPolarHBondContact CA-O 3.48Å; L82-R106 HydrophobicContact CD1-CB 4.13Å; V83-R106 PolarHBondContact N-O 2.88Å; R106-G120 PolarHBondContact NH1-O 2.7Å; R106-G120 PolarHBondContact NH2-O 3.18Å
107I98.4Very high95.1Very high47 Ų4759.7 Ų59.724%0.24134%0.335CS..EExtended strand (participates in β ladder)trans-117.5125.3-174.8-55.9160.1000109.1V83 I91 L94 K95 L105V83-I107 HydrophobicContact CG2-CB 4.16Å; V83-I107 HydrophobicContact CG2-CG1 3.86Å; V83-I107 HydrophobicContact CG2-CG2 4.09Å; I91-I107 HydrophobicContact CD1-CG2 3.82Å; L94-I107 HydrophobicContact CB-CD1 3.64Å; L94-I107 HydrophobicContact CB-CG1 4.16Å; L94-I107 HydrophobicContact CD1-CG2 4.46Å; L94-I107 WeakPolarHBondContact O-CD1 3.23Å; K95-I107 HydrophobicContact CB-CD1 4.49Å; K95-I107 HydrophobicContact CG-CD1 4.02Å; L105-I107 HydrophobicContact CG-CG1 4.22Å
108V98.1Very high95.1Very high37 Ų3760.3 Ų60.322%0.22434%0.339CS..EExtended strand (participates in β ladder)trans-111122.7168.71720000108.3L82 V83 V84 E85 G110 Y115L82-V108 HydrophobicContact CD1-CB 4.48Å; L82-V108 HydrophobicContact CD1-CG2 3.68Å; V83-V108 PolarHBondContact O-N 2.88Å; V84-V108 WeakPolarHBondContact CA-O 3.43Å; V84-V108 HydrophobicContact CG1-CG1 4.43Å; V84-V108 HydrophobicContact CG2-CB 4.35Å; E85-V108 PolarHBondContact N-O 2.92Å; V108-G110 PolarHBondContact O-N 2.92Å; V108-Y115 HydrophobicContact CB-CE2 4.39Å; V108-Y115 HydrophobicContact CG1-CD2 3.9Å; V108-Y115 HydrophobicContact CG1-CE2 3.7Å; V108-Y115 HydrophobicContact CG2-CE2 4.11Å
109H97.7Very high95Very high115 Ų11567.9 Ų67.953%0.53236%0.363SS..EExtended strand (participates in β ladder)trans-83.9107.9166.9179-139.1000108.7E85 K86 I91E85-H109 CarbonylContact O-C 3.6Å; E85-H109 VanDerWaalsContact O-CA 3.27Å; E85-H109 WeakPolarHBondContact O-CA 3.32Å; E85-H109 PolarHBondContact O-CD2 2.92Å; K86-H109 PolarHBondContact O-NE2 3.37Å; I91-H109 HydrophobicContact CD1-CB 3.97Å; I91-H109 HydrophobicContact CG1-CB 4.38Å
110G95.8Very high94.9Very high23 Ų2360.9 Ų60.924%0.23733%0.331CS..SBendtrans178.8171.8-17600000114.2V84 E85 K86 V108V84-G110 WeakPolarHBondContact CG1-O 3.36Å; E85-G110 CarbonylContact C-O 3.5Å; E85-G110 VanDerWaalsContact C-O 3.29Å; E85-G110 PolarHBondContact O-N 2.88Å; K86-G110 WeakPolarHBondContact CA-O 3.45Å; K86-G110 PolarHBondContact N-O 3.25Å; V108-G110 PolarHBondContact O-N 2.92Å
111D95.2Very high95.1Very high37 Ų3757.6 Ų57.620%0.19830%0.301CS..  trans-90.4123.8176.3-167.5-27.7000110.6K86 L113 T114 Y115K86-D111 HydrophobicContact CD-CB 4.09Å; K86-D111 WeakPolarHBondContact CE-OD2 3.46Å; K86-D111 HydrophobicContact CG-CB 4.49Å; K86-D111 IonicContact NZ-OD2 2.62Å; K86-D111 PolarHBondContact NZ-OD2 3.25Å; D111-L113 PolarHBondContact O-N 3.07Å; D111-L113 WeakPolarHBondContact OD1-CB 3.45Å; D111-L113 PolarHBondContact OD1-N 3.45Å; D111-T114 PolarHBondContact O-N 2.98Å; D111-T114 VanDerWaalsContact O-N 3.08Å; D111-T114 PolarHBondContact O-OG1 3.44Å; D111-Y115 WeakPolarHBondContact O-CB 3.49Å; D111-Y115 PolarHBondContact O-N 3.29Å
112I95.7Very high95.2Very high10 Ų1060.9 Ų60.95%0.05132%0.322CS..THydrogen-bonded Turntrans-60.2-29.2177-166.570.7000113.3V62 V84 T114 M117 V148 L152 W156V62-I112 HydrophobicContact CB-CD1 4.35Å; V62-I112 HydrophobicContact CB-CG1 4.22Å; V62-I112 HydrophobicContact CG1-CB 3.43Å; V62-I112 VanDerWaalsContact CG1-CB 3.43Å; V62-I112 HydrophobicContact CG1-CD1 3.85Å; V62-I112 HydrophobicContact CG1-CG1 3.33Å; V62-I112 HydrophobicContact CG1-CG2 3.48Å; V62-I112 VanDerWaalsContact CG1-CG2 3.48Å; V62-I112 HydrophobicContact CG2-CD1 3.61Å; V62-I112 HydrophobicContact CG2-CG1 3.79Å; V84-I112 HydrophobicContact CB-CD1 4.04Å; V84-I112 HydrophobicContact CG1-CB 4.42Å; V84-I112 HydrophobicContact CG1-CD1 4.25Å; V84-I112 HydrophobicContact CG2-CD1 4.05Å; I112-T114 PolarHBondContact O-N 3.06Å; I112-M117 HydrophobicContact CD1-CG 4.28Å; I112-M117 HydrophobicContact CD1-SD 3.86Å; I112-V148 HydrophobicContact CG2-CG1 4.2Å; I112-L152 HydrophobicContact CG1-CD1 4.16Å; I112-L152 HydrophobicContact CG1-CD2 4.15Å; I112-L152 HydrophobicContact CG2-CD1 4.2Å; I112-L152 HydrophobicContact CG2-CD2 3.89Å; I112-W156 HydrophobicContact CG1-CZ2 4.21Å
113L94.4Very high95.3Very high56 Ų5660.4 Ų60.429%0.29332%0.318SS..THydrogen-bonded Turntrans-65.8-19.5179.1-69.3170.7000112D111 V148 L152 K155D111-L113 PolarHBondContact O-N 3.07Å; D111-L113 WeakPolarHBondContact OD1-CB 3.45Å; D111-L113 PolarHBondContact OD1-N 3.45Å; L113-V148 HydrophobicContact CD1-CG1 4.5Å; L113-V148 HydrophobicContact CG-CG1 4.44Å; L113-L152 HydrophobicContact CD2-CB 4Å; L113-L152 HydrophobicContact CD2-CD1 3.93Å; L113-K155 PolarHBondContact O-NZ 3.42Å
114T95.1Very high95.4Very high106 Ų10661.9 Ų61.965%0.6532%0.324SS*.THydrogen-bonded Turntrans-119.1-18178.960.50000113.4D111 I112D111-T114 PolarHBondContact O-N 2.98Å; D111-T114 VanDerWaalsContact O-N 3.08Å; D111-T114 PolarHBondContact O-OG1 3.44Å; I112-T114 PolarHBondContact O-N 3.06Å
115Y96.6Very high95.3Very high54 Ų5459.1 Ų59.121%0.21232%0.315CS..  trans-60135.8-179.5-177.2-108.3000113L82 V84 V108 D111 M117L82-Y115 HydrophobicContact CD2-CE1 4.03Å; V84-Y115 HydrophobicContact CG1-CG 4.29Å; V84-Y115 HydrophobicContact CG2-CD1 3.68Å; V84-Y115 HydrophobicContact CG2-CE1 3.85Å; V84-Y115 HydrophobicContact CG2-CG 4.17Å; V108-Y115 HydrophobicContact CB-CE2 4.39Å; V108-Y115 HydrophobicContact CG1-CD2 3.9Å; V108-Y115 HydrophobicContact CG1-CE2 3.7Å; V108-Y115 HydrophobicContact CG2-CE2 4.11Å; D111-Y115 WeakPolarHBondContact O-CB 3.49Å; D111-Y115 PolarHBondContact O-N 3.29Å; Y115-M117 HydrophobicContact CD1-CG 3.66Å; Y115-M117 HydrophobicContact CE1-CG 4.03Å; Y115-M117 PolarHBondContact O-N 2.74Å; Y115-M117 VanDerWaalsContact O-N 3.16Å
116R94.6Very high95.1Very high143 Ų14361 Ų6154%0.5433%0.329SS..  trans-86.578.5-178.4-69.6-65.5-60.6-109.80.1111D118 R119R116-D118 VanDerWaalsContact C-OD1 3.25Å; R116-D118 WeakPolarHBondContact CA-OD1 3.32Å; R116-D118 WeakPolarHBondContact CB-OD1 3.3Å; R116-D118 IonicContact CZ-OD1 3.8Å; R116-D118 IonicContact CZ-OD2 3.24Å; R116-D118 IonicContact NE-OD1 2.68Å; R116-D118 PolarHBondContact NE-OD1 3.01Å; R116-D118 IonicContact NE-OD2 3.94Å; R116-D118 PolarHBondContact NE-OD2 3.07Å; R116-D118 IonicContact NH2-OD1 2.87Å; R116-D118 IonicContact NH2-OD2 3.01Å; R116-D118 PolarHBondContact NH2-OD2 3.06Å; R116-D118 PolarHBondContact O-N 3.12Å; R116-R119 PolarHBondContact O-N 3.22Å
117M94.1Very high95Very high7 Ų760.7 Ų60.73%0.03433%0.33CS..G310 helixtrans-61.4-24.2180-70.7-17167.300114C60 I112 Y115 R119 G120 I140 W156 P166 F169C60-M117 HydrophobicContact CB-CE 3.41Å; C60-M117 VanDerWaalsContact CB-CE 3.41Å; C60-M117 WeakPolarHBondContact SG-CE 3.27Å; I112-M117 HydrophobicContact CD1-CG 4.28Å; I112-M117 HydrophobicContact CD1-SD 3.86Å; Y115-M117 HydrophobicContact CD1-CG 3.66Å; Y115-M117 HydrophobicContact CE1-CG 4.03Å; Y115-M117 PolarHBondContact O-N 2.74Å; Y115-M117 VanDerWaalsContact O-N 3.16Å; M117-R119 PolarHBondContact O-N 2.92Å; M117-G120 PolarHBondContact O-N 3.25Å; M117-I140 HydrophobicContact CE-CD1 3.52Å; M117-I140 HydrophobicContact CE-CG1 3.86Å; M117-I140 HydrophobicContact CE-CG2 4.36Å; M117-I140 HydrophobicContact SD-CD1 4.35Å; M117-W156 HydrophobicContact SD-CZ2 3.83Å; M117-P166 HydrophobicContact CB-CB 4.02Å; M117-P166 HydrophobicContact CE-CB 4.02Å; M117-P166 HydrophobicContact SD-CB 4.21Å; M117-P166 HydrophobicContact SD-CG 4.31Å; M117-F169 WeakPolarHBondContact O-CE2 3.5Å
118D91.9Very high94.9Very high37 Ų3761.7 Ų61.720%0.19835%0.345CS..G310 helixtrans-57.6-17172.456.3-56.5000113.2R116 G165 T168 F169R116-D118 VanDerWaalsContact C-OD1 3.25Å; R116-D118 WeakPolarHBondContact CA-OD1 3.32Å; R116-D118 WeakPolarHBondContact CB-OD1 3.3Å; R116-D118 IonicContact CZ-OD1 3.8Å; R116-D118 IonicContact CZ-OD2 3.24Å; R116-D118 IonicContact NE-OD1 2.68Å; R116-D118 PolarHBondContact NE-OD1 3.01Å; R116-D118 IonicContact NE-OD2 3.94Å; R116-D118 PolarHBondContact NE-OD2 3.07Å; R116-D118 IonicContact NH2-OD1 2.87Å; R116-D118 IonicContact NH2-OD2 3.01Å; R116-D118 PolarHBondContact NH2-OD2 3.06Å; R116-D118 PolarHBondContact O-N 3.12Å; D118-G165 WeakPolarHBondContact CB-O 3.24Å; D118-T168 HydrophobicContact CB-CG2 4.34Å; D118-F169 WeakPolarHBondContact O-CZ 3.32Å
119R92.8Very high94.8Very high190 Ų19060.8 Ų60.872%0.71734%0.337SS*.G310 helixtrans-111.87.1175.9-55.5-176.8-179.2-170.7-3.3113.1R116 M117 F121R116-R119 PolarHBondContact O-N 3.22Å; M117-R119 PolarHBondContact O-N 2.92Å; R119-F121 VanDerWaalsContact C-N 3.34Å
120G93.4Very high94.6Very high3 Ų360.3 Ų60.33%0.03134%0.335CS..SBendtrans-76.5-20.7-174.400000114R106 M117R106-G120 PolarHBondContact NH1-O 2.7Å; R106-G120 PolarHBondContact NH2-O 3.18Å; M117-G120 PolarHBondContact O-N 3.25Å
121F96.2Very high94.4Very high14 Ų1462.7 Ų62.76%0.06134%0.341CS..SBendtrans-139159.1-174.5-61.8-78.5000112H58 C60 D80 L82 R119 I125 L138 F169H58-F121 HydrophobicContact CB-CD1 3.72Å; H58-F121 HydrophobicContact CB-CE1 3.74Å; H58-F121 HydrophobicContact CB-CG 4.39Å; H58-F121 HydrophobicContact CB-CZ 4.43Å; H58-F121 AromaticContact CG-CD1 3.98Å; H58-F121 AromaticContact ND1-CD1 3.66Å; C60-F121 HydrophobicContact CB-CE2 3.99Å; C60-F121 HydrophobicContact CB-CZ 4.07Å; D80-F121 VanDerWaalsContact OD2-CD1 3.22Å; D80-F121 WeakPolarHBondContact OD2-CD1 3.24Å; D80-F121 WeakPolarHBondContact OD2-CE1 3.23Å; L82-F121 HydrophobicContact CB-CE1 4.06Å; L82-F121 HydrophobicContact CB-CE2 4.48Å; L82-F121 HydrophobicContact CB-CZ 3.68Å; L82-F121 HydrophobicContact CD2-CE2 4.18Å; L82-F121 HydrophobicContact CD2-CZ 4.18Å; R119-F121 VanDerWaalsContact C-N 3.34Å; F121-I125 HydrophobicContact CB-CD1 3.55Å; F121-I125 HydrophobicContact CB-CG1 4.34Å; F121-I125 HydrophobicContact CD1-CD1 4.48Å; F121-I125 HydrophobicContact CG-CD1 3.99Å; F121-L138 HydrophobicContact CD2-CD1 3.72Å; F121-L138 HydrophobicContact CD2-CD2 4.38Å; F121-L138 HydrophobicContact CE1-CD1 4.44Å; F121-L138 HydrophobicContact CE2-CD1 3.47Å; F121-L138 VanDerWaalsContact CE2-CD1 3.47Å; F121-L138 HydrophobicContact CG-CD1 4.32Å; F121-L138 HydrophobicContact CZ-CD1 3.87Å; F121-F169 HydrophobicContact CB-CE1 3.98Å; F121-F169 HydrophobicContact CB-CZ 3.87Å; F121-F169 WeakPolarHBondContact O-CZ 3.35Å
122P93.6Very high93.7Very high72 Ų7265.5 Ų65.547%0.46836%0.359SS..  trans-61.8137.3177.3-21.733.5000112.2A124 I125P122-A124 PolarHBondContact O-N 2.79Å; P122-I125 WeakPolarHBondContact O-CG1 3.49Å; P122-I125 PolarHBondContact O-N 3.29Å; P122-I125 VanDerWaalsContact O-N 3.12Å
123A93.2Very high93.2Very high82 Ų8274.7 Ų74.768%0.67840%0.398SS*.G310 helixtrans-59.3-20.9178.600000113.8I125 S126A123-I125 PolarHBondContact O-N 2.84Å; A123-S126 VanDerWaalsContact O-CB 3.23Å; A123-S126 WeakPolarHBondContact O-CB 3.25Å; A123-S126 PolarHBondContact O-N 2.88Å; A123-S126 VanDerWaalsContact O-N 3.12Å; A123-S126 PolarHBondContact O-OG 3.49Å; A123-S126 VanDerWaalsContact O-OG 3.06Å
124A93.4Very high92.7Very high96 Ų9676 Ų7679%0.79341%0.406SS*.G310 helixtrans-63.1-18.5177.300000114.1P122 S126P122-A124 PolarHBondContact O-N 2.79Å; A124-S126 VanDerWaalsContact C-N 3.29Å
125I94.1Very high92.3Very high22 Ų2272.5 Ų72.511%0.11339%0.385CS..G310 helixtrans-83.3-11.3178.282168.2000112.3H58 F121 P122 A123 L138 F169H58-I125 HydrophobicContact CB-CD1 3.89Å; H58-I125 VanDerWaalsContact NE2-CG2 3.31Å; H58-I125 WeakPolarHBondContact NE2-CG2 3.44Å; F121-I125 HydrophobicContact CB-CD1 3.55Å; F121-I125 HydrophobicContact CB-CG1 4.34Å; F121-I125 HydrophobicContact CD1-CD1 4.48Å; F121-I125 HydrophobicContact CG-CD1 3.99Å; P122-I125 WeakPolarHBondContact O-CG1 3.49Å; P122-I125 PolarHBondContact O-N 3.29Å; P122-I125 VanDerWaalsContact O-N 3.12Å; A123-I125 PolarHBondContact O-N 2.84Å; I125-L138 HydrophobicContact CD1-CB 4.26Å; I125-L138 HydrophobicContact CD1-CD1 4.47Å; I125-L138 HydrophobicContact CD1-CD2 4.43Å; I125-F169 HydrophobicContact CD1-CD1 4.07Å; I125-F169 HydrophobicContact CD1-CE1 4.4Å; I125-F169 HydrophobicContact CG1-CD1 3.56Å; I125-F169 HydrophobicContact CG1-CE1 4.05Å; I125-F169 HydrophobicContact CG1-CG 4.34Å
126S95.1Very high92.2Very high45 Ų4570 Ų7032%0.31538%0.375SS..  trans-63.8141.5-178.3-61.70000111.1A123 A124 F169A123-S126 VanDerWaalsContact O-CB 3.23Å; A123-S126 WeakPolarHBondContact O-CB 3.25Å; A123-S126 PolarHBondContact O-N 2.88Å; A123-S126 VanDerWaalsContact O-N 3.12Å; A123-S126 PolarHBondContact O-OG 3.49Å; A123-S126 VanDerWaalsContact O-OG 3.06Å; A124-S126 VanDerWaalsContact C-N 3.29Å; S126-F169 WeakPolarHBondContact CA-O 3.39Å; S126-F169 VanDerWaalsContact OG-CD1 3.24Å; S126-F169 WeakPolarHBondContact OG-CD1 3.39Å
127K96.2Very high92.2Very high79 Ų7966 Ų6634%0.34336%0.364SS..  trans-124.4150.6173-60.2-72.6178.4168.20109.4D134 P136 F169 G170K127-D134 VanDerWaalsContact CE-OD2 3.31Å; K127-D134 WeakPolarHBondContact CE-OD2 3.35Å; K127-D134 WeakPolarHBondContact CG-O 3.43Å; K127-D134 IonicContact NZ-OD2 2.65Å; K127-D134 PolarHBondContact NZ-OD2 3.35Å; K127-P136 HydrophobicContact CB-CB 4.42Å; K127-P136 HydrophobicContact CG-CB 4.13Å; K127-F169 PolarHBondContact N-O 3.46Å; K127-G170 WeakPolarHBondContact O-CA 3.41Å
128A95.6Very high92.4Very high67 Ų6765.7 Ų65.755%0.55436%0.363SS*.  trans-55.8145.5172.800000110.2E130 E131A128-E130 PolarHBondContact O-N 3.02Å; A128-E131 WeakPolarHBondContact O-CB 3.22Å; A128-E131 PolarHBondContact O-N 3.43Å; A128-E131 VanDerWaalsContact O-N 3.16Å
129W95.9Very high92.7Very high18 Ų1863.9 Ų63.97%0.06835%0.353CS..THydrogen-bonded Turntrans-61.4-37.9-176.1-172.6-94.1000112.1E131 I160 R163 F167 R171 P234 L235 V236W129-E131 VanDerWaalsContact C-N 3.26Å; W129-E131 PolarHBondContact O-N 3.19Å; W129-I160 HydrophobicContact CH2-CG2 4.01Å; W129-I160 HydrophobicContact CZ2-CG2 4.14Å; W129-R163 HydrophobicContact CD2-CG 4.24Å; W129-R163 HydrophobicContact CE3-CG 4.16Å; W129-R163 HydrophobicContact CZ3-CG 4.34Å; W129-F167 HydrophobicContact CH2-CB 4.35Å; W129-F167 HydrophobicContact CZ3-CB 3.94Å; W129-R171 HydrophobicContact CD2-CG 3.67Å; W129-R171 HydrophobicContact CE3-CG 3.77Å; W129-R171 HydrophobicContact CG-CG 4.28Å; W129-R171 HydrophobicContact CH2-CG 3.96Å; W129-R171 HydrophobicContact CZ2-CG 3.87Å; W129-R171 HydrophobicContact CZ3-CG 3.89Å; W129-R171 VanDerWaalsContact O-CD 3.22Å; W129-R171 WeakPolarHBondContact O-CD 3.36Å; W129-R171 PolarHBondContact O-NE 2.87Å; W129-P234 HydrophobicContact CH2-CB 3.94Å; W129-P234 HydrophobicContact CZ2-CB 4.05Å; W129-L235 PolarHBondContact NE1-O 3.07Å; W129-V236 PolarHBondContact NE1-O 2.98Å
130E94.5Very high93Very high105 Ų10554.9 Ų54.949%0.49132%0.319SS..THydrogen-bonded Turntrans-77.2-9.6-177.3-60.971.5-154.400112.9A128 V132 R163A128-E130 PolarHBondContact O-N 3.02Å; E130-V132 WeakPolarHBondContact O-CG2 3.31Å; E130-V132 PolarHBondContact O-N 3.21Å; E130-R163 IonicContact OE1-CZ 2.69Å; E130-R163 IonicContact OE1-NH1 3.27Å; E130-R163 PolarHBondContact OE1-NH1 2.93Å; E130-R163 IonicContact OE1-NH2 3.38Å; E130-R163 PolarHBondContact OE1-NH2 3.26Å
131E90.3Very high93.2Very high74 Ų7454.7 Ų54.735%0.34632%0.318SS..  trans-68.3123.4177.1-177.350.6-108.900110.5A128 W129 K133 D134 R171A128-E131 WeakPolarHBondContact O-CB 3.22Å; A128-E131 PolarHBondContact O-N 3.43Å; A128-E131 VanDerWaalsContact O-N 3.16Å; W129-E131 VanDerWaalsContact C-N 3.26Å; W129-E131 PolarHBondContact O-N 3.19Å; E131-K133 WeakPolarHBondContact OE1-CB 3.43Å; E131-K133 PolarHBondContact OE1-N 3.07Å; E131-D134 HydrophobicContact CG-CB 4.23Å; E131-D134 VanDerWaalsContact CG-O 3.29Å; E131-D134 WeakPolarHBondContact CG-O 3.23Å; E131-D134 PolarHBondContact OE1-N 3.07Å; E131-R171 PolarHBondContact O-NH2 3.01Å
132V81.9Confident93.2Very high96 Ų9654 Ų5458%0.58232%0.315SS*.  trans-106.3-37.8-175.2-173.90000111.8E130 V236E130-V132 WeakPolarHBondContact O-CG2 3.31Å; E130-V132 PolarHBondContact O-N 3.21Å; V132-V236 HydrophobicContact CG2-CG2 3.81Å
133K84.9Confident93.3Very high202 Ų20251.9 Ų51.988%0.87830%0.299SS*.SBendtrans-77.8-32.9-173.1-65.9-178.3179.2178.10111.4E131E131-K133 WeakPolarHBondContact OE1-CB 3.43Å; E131-K133 PolarHBondContact OE1-N 3.07Å
134D83.7Confident93Very high85 Ų8548.3 Ų48.346%0.45527%0.269SS..SBendtrans-132.669.3-177.7-171.129.1000111.1K127 E131K127-D134 VanDerWaalsContact CE-OD2 3.31Å; K127-D134 WeakPolarHBondContact CE-OD2 3.35Å; K127-D134 WeakPolarHBondContact CG-O 3.43Å; K127-D134 IonicContact NZ-OD2 2.65Å; K127-D134 PolarHBondContact NZ-OD2 3.35Å; E131-D134 HydrophobicContact CG-CB 4.23Å; E131-D134 VanDerWaalsContact CG-O 3.29Å; E131-D134 WeakPolarHBondContact CG-O 3.23Å; E131-D134 PolarHBondContact OE1-N 3.07Å
135P87.3Confident92.8Very high32 Ų3245 Ų4521%0.20824%0.239CC..  trans-60.9161.5173.130.3-35.8000109.8N137P135-N137 PolarHBondContact O-N 2.78Å
136P93.1Very high92.4Very high1 Ų145.3 Ų45.31%0.00624%0.24CC..  trans-56.3136.4178.926.9-34.8000109.7K127 L138 F169 R173K127-P136 HydrophobicContact CB-CB 4.42Å; K127-P136 HydrophobicContact CG-CB 4.13Å; P136-L138 HydrophobicContact CB-CB 4.28Å; P136-L138 PolarHBondContact O-N 3.35Å; P136-F169 VanDerWaalsContact CB-O 3.25Å; P136-F169 WeakPolarHBondContact CB-O 3.45Å; P136-F169 VanDerWaalsContact CG-O 3.3Å; P136-F169 WeakPolarHBondContact CG-O 3.41Å; P136-R173 PolarHBondContact O-NH2 3.05Å
137N95.3Very high92.1Very high58 Ų5846.7 Ų46.731%0.3125%0.249SC..SBendtrans-77.248.1175.5-158.615.5000110.7G56 A57 H58 P135G56-N137 PolarHBondContact O-ND2 3.47Å; A57-N137 VanDerWaalsContact CA-ND2 3.33Å; A57-N137 WeakPolarHBondContact CA-ND2 3.41Å; A57-N137 WeakPolarHBondContact CB-OD1 3.49Å; A57-N137 PolarHBondContact N-ND2 3.17Å; H58-N137 PolarHBondContact N-O 3.02Å; P135-N137 PolarHBondContact O-N 2.78Å
138L97.4Very high91.8Very high1 Ų144.6 Ų44.61%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-116.9122.6-178.3177.759.5000109.3H58 F121 I125 P136 F169 A172 R173H58-L138 HydrophobicContact CB-CD1 3.91Å; H58-L138 CarbonylContact O-C 3.54Å; H58-L138 VanDerWaalsContact O-CA 3.3Å; H58-L138 WeakPolarHBondContact O-CA 3.13Å; F121-L138 HydrophobicContact CD2-CD1 3.72Å; F121-L138 HydrophobicContact CD2-CD2 4.38Å; F121-L138 HydrophobicContact CE1-CD1 4.44Å; F121-L138 HydrophobicContact CE2-CD1 3.47Å; F121-L138 VanDerWaalsContact CE2-CD1 3.47Å; F121-L138 HydrophobicContact CG-CD1 4.32Å; F121-L138 HydrophobicContact CZ-CD1 3.87Å; I125-L138 HydrophobicContact CD1-CB 4.26Å; I125-L138 HydrophobicContact CD1-CD1 4.47Å; I125-L138 HydrophobicContact CD1-CD2 4.43Å; P136-L138 HydrophobicContact CB-CB 4.28Å; P136-L138 PolarHBondContact O-N 3.35Å; L138-F169 HydrophobicContact CD2-CB 3.85Å; L138-F169 HydrophobicContact CD2-CD2 3.63Å; L138-F169 HydrophobicContact CD2-CE2 4.43Å; L138-F169 HydrophobicContact CD2-CG 3.86Å; L138-A172 HydrophobicContact CB-CB 4.31Å; L138-A172 HydrophobicContact CD2-CB 3.95Å; L138-A172 HydrophobicContact CG-CB 4.05Å; L138-R173 PolarHBondContact O-N 3.46Å
139H98.4Very high91.8Very high0 Ų041.5 Ų41.50%022%0.217CC..EExtended strand (participates in β ladder)trans-119.4133.5178-65.9-111.7000110.3A51 L54 H58 V59 C60 I141 R173A51-H139 PolarHBondContact O-CE1 3.41Å; A51-H139 PolarHBondContact O-ND1 2.97Å; A51-H139 VanDerWaalsContact O-ND1 3.09Å; L54-H139 HydrophobicContact CD2-CB 3.96Å; H58-H139 PolarHBondContact O-N 3.29Å; V59-H139 CarbonylContact C-O 3.57Å; V59-H139 VanDerWaalsContact CA-O 3.28Å; V59-H139 WeakPolarHBondContact CA-O 3.22Å; V59-H139 HydrophobicContact CG2-CB 4.42Å; C60-H139 PolarHBondContact N-O 2.93Å; H139-I141 HydrophobicContact CB-CD1 4.33Å; H139-I141 HydrophobicContact CB-CG1 4.22Å; H139-R173 PolarHBondContact CE1-NH1 2.9Å; H139-R173 PolarHBondContact NE2-NH1 3.29Å; H139-R173 PolarHBondContact NE2-NH2 3.35Å
140I98.4Very high91.6Very high0 Ų042.7 Ų42.70%023%0.227CC..EExtended strand (participates in β ladder)trans-109.3118.3172.5-55.3176.6000107.3C60 V62 M117 W156 P166 R173 L174 T175C60-I140 HydrophobicContact CB-CG1 4.3Å; C60-I140 CarbonylContact O-C 3.59Å; C60-I140 WeakPolarHBondContact O-CA 3.45Å; V62-I140 HydrophobicContact CG2-CG2 4.07Å; M117-I140 HydrophobicContact CE-CD1 3.52Å; M117-I140 HydrophobicContact CE-CG1 3.86Å; M117-I140 HydrophobicContact CE-CG2 4.36Å; M117-I140 HydrophobicContact SD-CD1 4.35Å; I140-W156 HydrophobicContact CG2-CH2 3.44Å; I140-W156 VanDerWaalsContact CG2-CH2 3.44Å; I140-W156 HydrophobicContact CG2-CZ2 3.97Å; I140-W156 HydrophobicContact CG2-CZ3 4.02Å; I140-P166 HydrophobicContact CD1-CB 3.53Å; I140-P166 HydrophobicContact CD1-CG 3.94Å; I140-R173 PolarHBondContact N-O 3.26Å; I140-L174 HydrophobicContact CB-CD2 3.68Å; I140-L174 HydrophobicContact CD1-CD2 3.65Å; I140-L174 HydrophobicContact CG1-CD2 4.02Å; I140-L174 HydrophobicContact CG2-CD2 4.3Å; I140-L174 CarbonylContact O-C 3.6Å; I140-L174 WeakPolarHBondContact O-CA 3.37Å; I140-T175 PolarHBondContact O-N 3.29Å
141I98.6Very high91.7Very high0 Ų040.5 Ų40.50%022%0.221CC..EExtended strand (participates in β ladder)trans-126.4140.4-173.5-45.6-178.3000108.2I47 A51 L54 V59 C60 E61 V62 L69 I73 H139 T175I47-I141 HydrophobicContact CG2-CG2 4.11Å; A51-I141 HydrophobicContact CB-CD1 3.72Å; A51-I141 HydrophobicContact CB-CG1 4.28Å; L54-I141 HydrophobicContact CD1-CD1 3.88Å; L54-I141 HydrophobicContact CD2-CD1 4.39Å; V59-I141 HydrophobicContact CG1-CD1 3.9Å; V59-I141 HydrophobicContact CG1-CG1 4.07Å; C60-I141 PolarHBondContact O-N 3.3Å; E61-I141 CarbonylContact C-O 3.33Å; E61-I141 VanDerWaalsContact CA-O 3.23Å; E61-I141 WeakPolarHBondContact CA-O 3.36Å; V62-I141 PolarHBondContact N-O 2.88Å; L69-I141 HydrophobicContact CD1-CG2 4.28Å; L69-I141 HydrophobicContact CD2-CG2 3.87Å; L69-I141 HydrophobicContact CG-CG2 4.45Å; I73-I141 HydrophobicContact CD1-CB 4.37Å; I73-I141 HydrophobicContact CD1-CD1 4.31Å; I73-I141 HydrophobicContact CG1-CD1 4.25Å; H139-I141 HydrophobicContact CB-CD1 4.33Å; H139-I141 HydrophobicContact CB-CG1 4.22Å; I141-T175 VanDerWaalsContact CA-O 3.29Å; I141-T175 WeakPolarHBondContact CA-O 3.33Å; I141-T175 WeakPolarHBondContact CG2-O 3.45Å
142G96.8Very high92Very high0 Ų037 Ų370%021%0.205CC..EExtended strand (participates in β ladder)trans-162.7136.7179.700000113.4T175 L176 T177G142-T175 PolarHBondContact N-O 3.19Å; G142-T175 VanDerWaalsContact N-O 3.1Å; G142-L176 WeakPolarHBondContact O-CA 3.15Å; G142-T177 PolarHBondContact O-N 2.95Å
143N95.1Very high92.7Very high26 Ų2632.4 Ų32.414%0.13918%0.177CC..  trans-104.382.2165.1177.852.2000109.5N36 L69 T177N36-N143 PolarHBondContact O-ND2 2.78Å; L69-N143 HydrophobicContact CD2-CB 4.44Å; N143-T177 VanDerWaalsContact CA-OG1 3.28Å; N143-T177 WeakPolarHBondContact CA-OG1 3.32Å; N143-T177 HydrophobicContact CB-CG2 4.2Å; N143-T177 WeakPolarHBondContact OD1-CG2 3.36Å; N143-T177 PolarHBondContact OD1-OG1 2.97Å
144L87.7Confident93.3Very high8 Ų824.4 Ų24.44%0.04214%0.144CC..  trans-91.8150.7-165.5-62.1173.5000113V62 F146 L152 T177V62-L144 HydrophobicContact CB-CD1 4.49Å; V62-L144 HydrophobicContact CB-CD2 3.76Å; V62-L144 HydrophobicContact CG1-CD1 4.21Å; V62-L144 HydrophobicContact CG1-CD2 3.35Å; V62-L144 HydrophobicContact CG1-CG 4.37Å; V62-L144 WeakPolarHBondContact O-CD2 3.38Å; L144-F146 PolarHBondContact O-N 3.44Å; L144-L152 HydrophobicContact CD1-CD2 3.46Å; L144-L152 VanDerWaalsContact CD1-CD2 3.46Å; L144-T177 PolarHBondContact N-OG1 3.34Å
145P87.4Confident94Very high25 Ų2523.5 Ų23.516%0.16214%0.136CC..  trans-51.6139.7161.1-24.634.6000110.7L33 S147 V148 S149L33-P145 WeakPolarHBondContact O-CB 3.24Å; P145-S147 VanDerWaalsContact C-N 3.26Å; P145-S147 PolarHBondContact O-N 3.31Å; P145-V148 HydrophobicContact CB-CG2 4.21Å; P145-V148 HydrophobicContact CG-CG2 4.49Å; P145-V148 PolarHBondContact O-N 3.16Å; P145-S149 PolarHBondContact O-N 2.94Å
146F86.8Confident94.5Very high29 Ų2922.1 Ų22.113%0.12713%0.127CC..Hα-helixtrans-62.9-34.5-173.8-55.4-40.1000112.9L144 V148 S149 Q179 P223 V225 V227L144-F146 PolarHBondContact O-N 3.44Å; F146-V148 PolarHBondContact O-N 3.3Å; F146-S149 WeakPolarHBondContact CA-OG 3.22Å; F146-S149 PolarHBondContact O-N 3.36Å; F146-S149 PolarHBondContact O-OG 2.84Å; F146-Q179 HydrophobicContact CB-CG 3.78Å; F146-Q179 HydrophobicContact CD1-CG 3.5Å; F146-Q179 HydrophobicContact CD2-CG 3.33Å; F146-Q179 HydrophobicContact CE1-CG 3.84Å; F146-Q179 HydrophobicContact CE2-CG 3.68Å; F146-Q179 HydrophobicContact CG-CG 3.24Å; F146-Q179 HydrophobicContact CZ-CG 3.93Å; F146-P223 HydrophobicContact CE2-CB 3.92Å; F146-P223 HydrophobicContact CZ-CB 4.26Å; F146-V225 HydrophobicContact CE2-CG2 4.15Å; F146-V227 HydrophobicContact CE1-CG1 4.44Å; F146-V227 HydrophobicContact CE1-CG2 4.02Å; F146-V227 HydrophobicContact CZ-CG2 3.68Å
147S87.6Confident94.8Very high74 Ų7422.1 Ų22.152%0.51713%0.127SC..Hα-helixtrans-61.1-25.617453.60000113.5P145 P151P145-S147 VanDerWaalsContact C-N 3.26Å; P145-S147 PolarHBondContact O-N 3.31Å; S147-P151 VanDerWaalsContact O-CD 3.26Å; S147-P151 WeakPolarHBondContact O-CD 3.4Å; S147-P151 WeakPolarHBondContact O-CG 3.32Å
148V91.9Very high94.9Very high35 Ų3521.4 Ų21.421%0.21212%0.121CC..Hα-helixtrans-96.3-39.4179.7-179.30000111.5I112 L113 P145 F146 T150 P151 L152I112-V148 HydrophobicContact CG2-CG1 4.2Å; L113-V148 HydrophobicContact CD1-CG1 4.5Å; L113-V148 HydrophobicContact CG-CG1 4.44Å; P145-V148 HydrophobicContact CB-CG2 4.21Å; P145-V148 HydrophobicContact CG-CG2 4.49Å; P145-V148 PolarHBondContact O-N 3.16Å; F146-V148 PolarHBondContact O-N 3.3Å; V148-T150 PolarHBondContact O-N 3.18Å; V148-P151 VanDerWaalsContact O-CD 3.24Å; V148-P151 WeakPolarHBondContact O-CD 3.39Å; V148-P151 VanDerWaalsContact O-CG 3.31Å; V148-P151 WeakPolarHBondContact O-CG 3.43Å; V148-L152 WeakPolarHBondContact O-CB 3.32Å; V148-L152 PolarHBondContact O-N 3.32Å
149S93.9Very high95Very high2 Ų222.6 Ų22.61%0.01413%0.128CC..Hα-helixtrans-56-45.1-174.165.20000113.7P145 F146 I153P145-S149 PolarHBondContact O-N 2.94Å; F146-S149 WeakPolarHBondContact CA-OG 3.22Å; F146-S149 PolarHBondContact O-N 3.36Å; F146-S149 PolarHBondContact O-OG 2.84Å; S149-I153 WeakPolarHBondContact O-CG2 3.41Å; S149-I153 PolarHBondContact O-N 3.46Å
150T93.1Very high95Very high43 Ų4322.8 Ų22.826%0.26413%0.129SC..Hα-helixtrans-70.1-51.4-176.6-59.70000113.2V148 L152 I153 I154V148-T150 PolarHBondContact O-N 3.18Å; T150-L152 VanDerWaalsContact C-N 3.27Å; T150-L152 PolarHBondContact O-N 3.24Å; T150-I153 VanDerWaalsContact O-CG2 3.26Å; T150-I153 WeakPolarHBondContact O-CG2 3.28Å; T150-I153 PolarHBondContact O-N 2.78Å; T150-I154 HydrophobicContact CG2-CD1 4.18Å; T150-I154 WeakPolarHBondContact O-CG1 3.49Å; T150-I154 PolarHBondContact O-N 2.75Å
151P95.2Very high95Very high59 Ų5924.4 Ų24.438%0.38314%0.142SC..Hα-helixtrans-63.1-35.2175.122.6-31.9000112.1S147 V148 I154 K155S147-P151 VanDerWaalsContact O-CD 3.26Å; S147-P151 WeakPolarHBondContact O-CD 3.4Å; S147-P151 WeakPolarHBondContact O-CG 3.32Å; V148-P151 VanDerWaalsContact O-CD 3.24Å; V148-P151 WeakPolarHBondContact O-CD 3.39Å; V148-P151 VanDerWaalsContact O-CG 3.31Å; V148-P151 WeakPolarHBondContact O-CG 3.43Å; P151-I154 PolarHBondContact O-N 3.45Å; P151-K155 PolarHBondContact O-N 2.88Å
152L96.9Very high94.9Very high0 Ų028.5 Ų28.50%016%0.164CC..Hα-helixtrans-65.3-45.3178.8-174.263.9000112.4V62 I112 L113 L144 V148 T150 I154 K155 W156V62-L152 HydrophobicContact CG1-CD2 4.2Å; I112-L152 HydrophobicContact CG1-CD1 4.16Å; I112-L152 HydrophobicContact CG1-CD2 4.15Å; I112-L152 HydrophobicContact CG2-CD1 4.2Å; I112-L152 HydrophobicContact CG2-CD2 3.89Å; L113-L152 HydrophobicContact CD2-CB 4Å; L113-L152 HydrophobicContact CD2-CD1 3.93Å; L144-L152 HydrophobicContact CD1-CD2 3.46Å; L144-L152 VanDerWaalsContact CD1-CD2 3.46Å; V148-L152 WeakPolarHBondContact O-CB 3.32Å; V148-L152 PolarHBondContact O-N 3.32Å; T150-L152 VanDerWaalsContact C-N 3.27Å; T150-L152 PolarHBondContact O-N 3.24Å; L152-I154 VanDerWaalsContact C-N 3.31Å; L152-I154 PolarHBondContact O-N 2.91Å; L152-K155 PolarHBondContact O-N 3.29Å; L152-W156 HydrophobicContact CD1-CD2 4.12Å; L152-W156 HydrophobicContact CD1-CH2 4.27Å; L152-W156 HydrophobicContact CD1-CZ2 3.8Å; L152-W156 HydrophobicContact CD2-CE3 4.26Å; L152-W156 HydrophobicContact CD2-CH2 3.4Å; L152-W156 HydrophobicContact CD2-CZ2 3.77Å; L152-W156 HydrophobicContact CD2-CZ3 3.65Å; L152-W156 HydrophobicContact CG-CD2 3.94Å; L152-W156 HydrophobicContact CG-CE3 3.87Å; L152-W156 HydrophobicContact CG-CH2 3.81Å; L152-W156 HydrophobicContact CG-CZ2 3.87Å; L152-W156 HydrophobicContact CG-CZ3 3.79Å; L152-W156 PolarHBondContact O-N 3.21Å
153I97.8Very high94.9Very high0 Ų034 Ų340%019%0.185CC..Hα-helixtrans-65.6-35.3177.4-169.758.3000111.6S149 T150 W156 L157 L174 L176 F178 F232S149-I153 WeakPolarHBondContact O-CG2 3.41Å; S149-I153 PolarHBondContact O-N 3.46Å; T150-I153 VanDerWaalsContact O-CG2 3.26Å; T150-I153 WeakPolarHBondContact O-CG2 3.28Å; T150-I153 PolarHBondContact O-N 2.78Å; I153-W156 PolarHBondContact O-N 3.45Å; I153-L157 HydrophobicContact CD1-CG 4.48Å; I153-L157 HydrophobicContact CG1-CD1 4.34Å; I153-L157 HydrophobicContact CG1-CG 4.37Å; I153-L157 WeakPolarHBondContact O-CB 3.33Å; I153-L157 WeakPolarHBondContact O-CG 3.38Å; I153-L157 PolarHBondContact O-N 3.31Å; I153-L174 HydrophobicContact CD1-CD1 3.78Å; I153-L176 HydrophobicContact CD1-CD1 4.12Å; I153-F178 HydrophobicContact CB-CE1 4.09Å; I153-F178 HydrophobicContact CB-CZ 3.98Å; I153-F178 HydrophobicContact CG1-CZ 4.2Å; I153-F178 HydrophobicContact CG2-CE1 3.76Å; I153-F178 HydrophobicContact CG2-CZ 4.08Å; I153-F232 HydrophobicContact CD1-CD1 4.24Å; I153-F232 HydrophobicContact CD1-CD2 4.49Å; I153-F232 HydrophobicContact CD1-CE1 3.94Å; I153-F232 HydrophobicContact CD1-CE2 4.21Å; I153-F232 HydrophobicContact CD1-CZ 3.92Å; I153-F232 HydrophobicContact CG1-CE1 4.09Å; I153-F232 HydrophobicContact CG1-CZ 3.98Å
154I97.1Very high95Very high35 Ų3535.4 Ų35.418%0.17920%0.195CC..Hα-helixtrans-63-46.8174.9-67.4168.3000110.4T150 P151 L152 W156 L157 E158 L198 F244T150-I154 HydrophobicContact CG2-CD1 4.18Å; T150-I154 WeakPolarHBondContact O-CG1 3.49Å; T150-I154 PolarHBondContact O-N 2.75Å; P151-I154 PolarHBondContact O-N 3.45Å; L152-I154 VanDerWaalsContact C-N 3.31Å; L152-I154 PolarHBondContact O-N 2.91Å; I154-W156 VanDerWaalsContact C-N 3.32Å; I154-W156 PolarHBondContact O-N 2.96Å; I154-L157 PolarHBondContact O-N 2.82Å; I154-E158 PolarHBondContact O-N 3.4Å; I154-L198 HydrophobicContact CG1-CD1 4.33Å; I154-F244 HydrophobicContact CG2-CZ 4.44Å
155K97.8Very high95.4Very high65 Ų6535.9 Ų35.928%0.28320%0.201SC..Hα-helixtrans-58.1-44.1174.9-178.5-173.4175.2-169.10111.5L113 P151 L152 E158 N159L113-K155 PolarHBondContact O-NZ 3.42Å; P151-K155 PolarHBondContact O-N 2.88Å; L152-K155 PolarHBondContact O-N 3.29Å; K155-E158 WeakPolarHBondContact O-CB 3.24Å; K155-E158 PolarHBondContact O-N 3.15Å; K155-N159 VanDerWaalsContact O-CG 3.27Å; K155-N159 PolarHBondContact O-N 2.96Å; K155-N159 PolarHBondContact O-OD1 2.84Å
156W98.3Very high95.8Very high4 Ų434.9 Ų34.92%0.01520%0.195CC..Hα-helixtrans-70.7-31.8178.7-75.9-23.1000113.4V62 I112 M117 I140 L152 I153 I154 E158 N159 I160 F167 L174 L176V62-W156 HydrophobicContact CG2-CH2 3.83Å; V62-W156 HydrophobicContact CG2-CZ2 4.26Å; I112-W156 HydrophobicContact CG1-CZ2 4.21Å; M117-W156 HydrophobicContact SD-CZ2 3.83Å; I140-W156 HydrophobicContact CG2-CH2 3.44Å; I140-W156 VanDerWaalsContact CG2-CH2 3.44Å; I140-W156 HydrophobicContact CG2-CZ2 3.97Å; I140-W156 HydrophobicContact CG2-CZ3 4.02Å; L152-W156 HydrophobicContact CD1-CD2 4.12Å; L152-W156 HydrophobicContact CD1-CH2 4.27Å; L152-W156 HydrophobicContact CD1-CZ2 3.8Å; L152-W156 HydrophobicContact CD2-CE3 4.26Å; L152-W156 HydrophobicContact CD2-CH2 3.4Å; L152-W156 HydrophobicContact CD2-CZ2 3.77Å; L152-W156 HydrophobicContact CD2-CZ3 3.65Å; L152-W156 HydrophobicContact CG-CD2 3.94Å; L152-W156 HydrophobicContact CG-CE3 3.87Å; L152-W156 HydrophobicContact CG-CH2 3.81Å; L152-W156 HydrophobicContact CG-CZ2 3.87Å; L152-W156 HydrophobicContact CG-CZ3 3.79Å; L152-W156 PolarHBondContact O-N 3.21Å; I153-W156 PolarHBondContact O-N 3.45Å; I154-W156 VanDerWaalsContact C-N 3.32Å; I154-W156 PolarHBondContact O-N 2.96Å; W156-E158 VanDerWaalsContact C-N 3.32Å; W156-N159 CarbonylContact O-C 3.58Å; W156-N159 PolarHBondContact O-N 3.48Å; W156-I160 VanDerWaalsContact O-CG1 3.23Å; W156-I160 WeakPolarHBondContact O-CG1 3.34Å; W156-I160 PolarHBondContact O-N 3.02Å; W156-F167 HydrophobicContact CB-CE2 3.82Å; W156-F167 HydrophobicContact CB-CZ 4.07Å; W156-F167 HydrophobicContact CG-CE2 4.1Å; W156-F167 HydrophobicContact CG-CZ 4.39Å; W156-F167 VanDerWaalsContact O-CE2 3.22Å; W156-F167 WeakPolarHBondContact O-CE2 3.31Å; W156-L174 HydrophobicContact CE3-CD1 4.07Å; W156-L174 HydrophobicContact CE3-CD2 4.48Å; W156-L176 HydrophobicContact CE3-CD1 4Å; W156-L176 HydrophobicContact CH2-CD2 4.46Å; W156-L176 HydrophobicContact CZ3-CD1 3.61Å; W156-L176 HydrophobicContact CZ3-CD2 3.88Å; W156-L176 HydrophobicContact CZ3-CG 4.36Å
157L98.7Very high96.4Very high1 Ų133.6 Ų33.61%0.00519%0.189CC..Hα-helixtrans-63.4-40.4170.4-71.2170.2000111.1I153 I154 I160 A161 M201 A202 L205 F244I153-L157 HydrophobicContact CD1-CG 4.48Å; I153-L157 HydrophobicContact CG1-CD1 4.34Å; I153-L157 HydrophobicContact CG1-CG 4.37Å; I153-L157 WeakPolarHBondContact O-CB 3.33Å; I153-L157 WeakPolarHBondContact O-CG 3.38Å; I153-L157 PolarHBondContact O-N 3.31Å; I154-L157 PolarHBondContact O-N 2.82Å; L157-I160 HydrophobicContact CD2-CD1 4.29Å; L157-I160 PolarHBondContact O-N 3.04Å; L157-A161 PolarHBondContact O-N 3.05Å; L157-M201 HydrophobicContact CD1-CB 4.29Å; L157-A202 HydrophobicContact CD1-CB 4.04Å; L157-A202 HydrophobicContact CD2-CB 4.35Å; L157-L205 HydrophobicContact CB-CD1 3.91Å; L157-L205 HydrophobicContact CD2-CB 4.26Å; L157-L205 HydrophobicContact CD2-CD1 4.03Å; L157-L205 WeakPolarHBondContact O-CD1 3.35Å; L157-F244 HydrophobicContact CB-CE2 3.9Å; L157-F244 HydrophobicContact CB-CZ 4.42Å
158E98.4Very high96.8Very high43 Ų4333.2 Ų33.220%0.20118%0.184CC..Hα-helixtrans-61.4-46.1171-176.2162-145.200111.3I154 K155 W156 I160 A161 D162 F244 K245I154-E158 PolarHBondContact O-N 3.4Å; K155-E158 WeakPolarHBondContact O-CB 3.24Å; K155-E158 PolarHBondContact O-N 3.15Å; W156-E158 VanDerWaalsContact C-N 3.32Å; E158-I160 VanDerWaalsContact C-N 3.27Å; E158-I160 PolarHBondContact O-N 2.94Å; E158-A161 WeakPolarHBondContact O-CB 3.27Å; E158-A161 PolarHBondContact O-N 3.34Å; E158-A161 VanDerWaalsContact O-N 3.11Å; E158-D162 PolarHBondContact O-N 2.7Å; E158-F244 HydrophobicContact CB-CD1 3.73Å; E158-F244 HydrophobicContact CB-CD2 4.1Å; E158-F244 HydrophobicContact CB-CE1 3.75Å; E158-F244 HydrophobicContact CB-CE2 4.1Å; E158-F244 HydrophobicContact CB-CG 3.93Å; E158-F244 HydrophobicContact CB-CZ 3.93Å; E158-F244 HydrophobicContact CG-CB 4.32Å; E158-F244 HydrophobicContact CG-CD1 3.7Å; E158-F244 HydrophobicContact CG-CE1 4.16Å; E158-F244 HydrophobicContact CG-CG 3.96Å; E158-K245 WeakPolarHBondContact OE1-CE 3.38Å; E158-K245 IonicContact OE1-NZ 3.23Å; E158-K245 PolarHBondContact OE1-NZ 2.82Å; E158-K245 IonicContact OE2-NZ 3.79Å; E158-K245 PolarHBondContact OE2-NZ 3.25Å
159N98.4Very high97Very high25 Ų2531.8 Ų31.813%0.13418%0.175CC..Hα-helixtrans-64.1-29.1176.1-61.8154.2000113.5K155 W156 R163 T164 F167K155-N159 VanDerWaalsContact O-CG 3.27Å; K155-N159 PolarHBondContact O-N 2.96Å; K155-N159 PolarHBondContact O-OD1 2.84Å; W156-N159 CarbonylContact O-C 3.58Å; W156-N159 PolarHBondContact O-N 3.48Å; N159-R163 CarbonylContact O-C 3.55Å; N159-R163 VanDerWaalsContact O-CA 3.25Å; N159-R163 WeakPolarHBondContact O-CA 3.48Å; N159-R163 PolarHBondContact O-N 3.34Å; N159-T164 WeakPolarHBondContact CA-OG1 3.33Å; N159-T164 PolarHBondContact ND2-OG1 3.33Å; N159-T164 VanDerWaalsContact ND2-OG1 3.12Å; N159-T164 PolarHBondContact O-N 2.96Å; N159-F167 HydrophobicContact CB-CD2 3.61Å; N159-F167 HydrophobicContact CB-CE2 3.95Å
160I98.6Very high97.2Very high4 Ų431.8 Ų31.82%0.02118%0.175CC..Hα-helixtrans-67.7-45.7171.9-72.6162.6000110.3W129 W156 L157 E158 D162 R163 F167 L205 C206 P234W129-I160 HydrophobicContact CH2-CG2 4.01Å; W129-I160 HydrophobicContact CZ2-CG2 4.14Å; W156-I160 VanDerWaalsContact O-CG1 3.23Å; W156-I160 WeakPolarHBondContact O-CG1 3.34Å; W156-I160 PolarHBondContact O-N 3.02Å; L157-I160 HydrophobicContact CD2-CD1 4.29Å; L157-I160 PolarHBondContact O-N 3.04Å; E158-I160 VanDerWaalsContact C-N 3.27Å; E158-I160 PolarHBondContact O-N 2.94Å; I160-D162 VanDerWaalsContact C-N 3.29Å; I160-D162 PolarHBondContact O-N 3.08Å; I160-R163 PolarHBondContact O-N 2.86Å; I160-F167 HydrophobicContact CB-CD2 4.45Å; I160-F167 HydrophobicContact CD1-CD1 4.37Å; I160-F167 HydrophobicContact CD1-CE1 3.72Å; I160-F167 HydrophobicContact CD1-CE2 4.07Å; I160-F167 HydrophobicContact CD1-CZ 3.55Å; I160-F167 HydrophobicContact CG1-CD1 3.56Å; I160-F167 HydrophobicContact CG1-CD2 3.61Å; I160-F167 HydrophobicContact CG1-CE1 3.37Å; I160-F167 HydrophobicContact CG1-CE2 3.44Å; I160-F167 VanDerWaalsContact CG1-CE2 3.44Å; I160-F167 HydrophobicContact CG1-CG 3.67Å; I160-F167 HydrophobicContact CG1-CZ 3.32Å; I160-L205 HydrophobicContact CG2-CB 3.99Å; I160-L205 HydrophobicContact CG2-CD2 4.24Å; I160-L205 HydrophobicContact CG2-CG 4.49Å; I160-C206 VanDerWaalsContact CD1-SG 3.6Å; I160-P234 HydrophobicContact CD1-CG 4.04Å; I160-P234 HydrophobicContact CG1-CG 4.23Å; I160-P234 HydrophobicContact CG2-CB 4.12Å
161A98.3Very high97.4Very high35 Ų3530.5 Ų30.529%0.28917%0.166SC..Hα-helixtrans-60-42.7178.800000111.4L157 E158 L205 F244L157-A161 PolarHBondContact O-N 3.05Å; E158-A161 WeakPolarHBondContact O-CB 3.27Å; E158-A161 PolarHBondContact O-N 3.34Å; E158-A161 VanDerWaalsContact O-N 3.11Å; A161-L205 HydrophobicContact CB-CD1 4.28Å; A161-L205 HydrophobicContact CB-CD2 3.97Å; A161-F244 HydrophobicContact CB-CB 3.94Å; A161-F244 HydrophobicContact CB-CD2 3.99Å; A161-F244 HydrophobicContact CB-CG 4.41Å
162D97.4Very high97.5Very high85 Ų8527.7 Ų27.746%0.45515%0.147SC..THydrogen-bonded Turntrans-89-4.2-178-59-23.2000113.4E158 I160 T164E158-D162 PolarHBondContact O-N 2.7Å; I160-D162 VanDerWaalsContact C-N 3.29Å; I160-D162 PolarHBondContact O-N 3.08Å; D162-T164 VanDerWaalsContact C-N 3.25Å; D162-T164 HydrophobicContact CB-CG2 3.9Å; D162-T164 PolarHBondContact O-N 3.12Å
163R97.2Very high97.5Very high115 Ų11529.9 Ų29.943%0.43416%0.155SC..THydrogen-bonded Turntrans54.238.3-173.3-50.9179.3-175.6-163.2-3.8113.2W129 E130 N159 I160W129-R163 HydrophobicContact CD2-CG 4.24Å; W129-R163 HydrophobicContact CE3-CG 4.16Å; W129-R163 HydrophobicContact CZ3-CG 4.34Å; E130-R163 IonicContact OE1-CZ 2.69Å; E130-R163 IonicContact OE1-NH1 3.27Å; E130-R163 PolarHBondContact OE1-NH1 2.93Å; E130-R163 IonicContact OE1-NH2 3.38Å; E130-R163 PolarHBondContact OE1-NH2 3.26Å; N159-R163 CarbonylContact O-C 3.55Å; N159-R163 VanDerWaalsContact O-CA 3.25Å; N159-R163 WeakPolarHBondContact O-CA 3.48Å; N159-R163 PolarHBondContact O-N 3.34Å; I160-R163 PolarHBondContact O-N 2.86Å
164T97.1Very high97.5Very high57 Ų5729.9 Ų29.935%0.3516%0.155SC..  trans-108.7179-177.857.20000112.7N159 D162 F167N159-T164 WeakPolarHBondContact CA-OG1 3.33Å; N159-T164 PolarHBondContact ND2-OG1 3.33Å; N159-T164 VanDerWaalsContact ND2-OG1 3.12Å; N159-T164 PolarHBondContact O-N 2.96Å; D162-T164 VanDerWaalsContact C-N 3.25Å; D162-T164 HydrophobicContact CB-CG2 3.9Å; D162-T164 PolarHBondContact O-N 3.12Å; T164-F167 WeakPolarHBondContact O-CB 3.47Å; T164-F167 PolarHBondContact O-N 2.84Å
165G96.3Very high97.6Very high18 Ų1828.2 Ų28.219%0.18615%0.147CC..G310 helixtrans57.6-130.5177.100000112D118 F167 T168D118-G165 WeakPolarHBondContact CB-O 3.24Å; G165-F167 PolarHBondContact O-N 2.89Å; G165-F167 VanDerWaalsContact O-N 3.12Å; G165-T168 WeakPolarHBondContact O-CB 3.12Å; G165-T168 WeakPolarHBondContact O-CG2 3.3Å; G165-T168 PolarHBondContact O-N 2.87Å; G165-T168 PolarHBondContact O-OG1 3.02Å
166P95.8Very high97.6Very high4 Ų425.2 Ų25.23%0.02613%0.134CC..G310 helixtrans-66.6-12.9179.527.3-32000114M117 I140 T168 F169M117-P166 HydrophobicContact CB-CB 4.02Å; M117-P166 HydrophobicContact CE-CB 4.02Å; M117-P166 HydrophobicContact SD-CB 4.21Å; M117-P166 HydrophobicContact SD-CG 4.31Å; I140-P166 HydrophobicContact CD1-CB 3.53Å; I140-P166 HydrophobicContact CD1-CG 3.94Å; P166-T168 VanDerWaalsContact C-N 3.3Å; P166-F169 WeakPolarHBondContact O-CD2 3.37Å
167F97.8Very high97.6Very high2 Ų225.1 Ų25.11%0.00913%0.134CC..G310 helixtrans-89.50.5-178.3-55.5-71.3000112.8W129 W156 N159 I160 T164 G165 F169 G170 A172 L174 P234W129-F167 HydrophobicContact CH2-CB 4.35Å; W129-F167 HydrophobicContact CZ3-CB 3.94Å; W156-F167 HydrophobicContact CB-CE2 3.82Å; W156-F167 HydrophobicContact CB-CZ 4.07Å; W156-F167 HydrophobicContact CG-CE2 4.1Å; W156-F167 HydrophobicContact CG-CZ 4.39Å; W156-F167 VanDerWaalsContact O-CE2 3.22Å; W156-F167 WeakPolarHBondContact O-CE2 3.31Å; N159-F167 HydrophobicContact CB-CD2 3.61Å; N159-F167 HydrophobicContact CB-CE2 3.95Å; I160-F167 HydrophobicContact CB-CD2 4.45Å; I160-F167 HydrophobicContact CD1-CD1 4.37Å; I160-F167 HydrophobicContact CD1-CE1 3.72Å; I160-F167 HydrophobicContact CD1-CE2 4.07Å; I160-F167 HydrophobicContact CD1-CZ 3.55Å; I160-F167 HydrophobicContact CG1-CD1 3.56Å; I160-F167 HydrophobicContact CG1-CD2 3.61Å; I160-F167 HydrophobicContact CG1-CE1 3.37Å; I160-F167 HydrophobicContact CG1-CE2 3.44Å; I160-F167 VanDerWaalsContact CG1-CE2 3.44Å; I160-F167 HydrophobicContact CG1-CG 3.67Å; I160-F167 HydrophobicContact CG1-CZ 3.32Å; T164-F167 WeakPolarHBondContact O-CB 3.47Å; T164-F167 PolarHBondContact O-N 2.84Å; G165-F167 PolarHBondContact O-N 2.89Å; G165-F167 VanDerWaalsContact O-N 3.12Å; F167-F169 PolarHBondContact O-N 3.11Å; F167-G170 WeakPolarHBondContact CA-O 3.47Å; F167-G170 PolarHBondContact O-N 3.27Å; F167-G170 VanDerWaalsContact O-N 3.07Å; F167-A172 HydrophobicContact CD1-CB 4.43Å; F167-L174 HydrophobicContact CE1-CD2 4.17Å; F167-L174 HydrophobicContact CZ-CD1 4.18Å; F167-L174 HydrophobicContact CZ-CD2 4Å; F167-L174 HydrophobicContact CZ-CG 4.5Å; F167-P234 HydrophobicContact CD1-CG 4.24Å; F167-P234 HydrophobicContact CE1-CG 4.05Å
168T96.9Very high97.5Very high66 Ų6625 Ų2541%0.40513%0.133SC..G310 helixtrans-64.3-25.7165.755.10000112.4D118 G165 P166 G170D118-T168 HydrophobicContact CB-CG2 4.34Å; G165-T168 WeakPolarHBondContact O-CB 3.12Å; G165-T168 WeakPolarHBondContact O-CG2 3.3Å; G165-T168 PolarHBondContact O-N 2.87Å; G165-T168 PolarHBondContact O-OG1 3.02Å; P166-T168 VanDerWaalsContact C-N 3.3Å; T168-G170 PolarHBondContact O-N 3.16Å
169F96.9Very high97.4Very high4 Ų426.3 Ų26.32%0.01814%0.139CC..G310 helixtrans-77-2.9172.3-60.3-78.1000113.1M117 D118 F121 I125 S126 K127 P136 L138 P166 F167M117-F169 WeakPolarHBondContact O-CE2 3.5Å; D118-F169 WeakPolarHBondContact O-CZ 3.32Å; F121-F169 HydrophobicContact CB-CE1 3.98Å; F121-F169 HydrophobicContact CB-CZ 3.87Å; F121-F169 WeakPolarHBondContact O-CZ 3.35Å; I125-F169 HydrophobicContact CD1-CD1 4.07Å; I125-F169 HydrophobicContact CD1-CE1 4.4Å; I125-F169 HydrophobicContact CG1-CD1 3.56Å; I125-F169 HydrophobicContact CG1-CE1 4.05Å; I125-F169 HydrophobicContact CG1-CG 4.34Å; S126-F169 WeakPolarHBondContact CA-O 3.39Å; S126-F169 VanDerWaalsContact OG-CD1 3.24Å; S126-F169 WeakPolarHBondContact OG-CD1 3.39Å; K127-F169 PolarHBondContact N-O 3.46Å; P136-F169 VanDerWaalsContact CB-O 3.25Å; P136-F169 WeakPolarHBondContact CB-O 3.45Å; P136-F169 VanDerWaalsContact CG-O 3.3Å; P136-F169 WeakPolarHBondContact CG-O 3.41Å; L138-F169 HydrophobicContact CD2-CB 3.85Å; L138-F169 HydrophobicContact CD2-CD2 3.63Å; L138-F169 HydrophobicContact CD2-CE2 4.43Å; L138-F169 HydrophobicContact CD2-CG 3.86Å; P166-F169 WeakPolarHBondContact O-CD2 3.37Å; F167-F169 PolarHBondContact O-N 3.11Å
170G97Very high97.3Very high2 Ų228.8 Ų28.82%0.02115%0.149CC..SBendtrans104.7-154.7-172.600000112K127 F167 T168 A172K127-G170 WeakPolarHBondContact O-CA 3.41Å; F167-G170 WeakPolarHBondContact CA-O 3.47Å; F167-G170 PolarHBondContact O-N 3.27Å; F167-G170 VanDerWaalsContact O-N 3.07Å; T168-G170 PolarHBondContact O-N 3.16Å; G170-A172 PolarHBondContact O-N 3.29Å
171R97.2Very high97.3Very high17 Ų1732.9 Ų32.96%0.06417%0.168CC..SBendtrans-80.158.9-173.5-61.1-174.5-58.399.37.7113.1W129 E131 P234W129-R171 HydrophobicContact CD2-CG 3.67Å; W129-R171 HydrophobicContact CE3-CG 3.77Å; W129-R171 HydrophobicContact CG-CG 4.28Å; W129-R171 HydrophobicContact CH2-CG 3.96Å; W129-R171 HydrophobicContact CZ2-CG 3.87Å; W129-R171 HydrophobicContact CZ3-CG 3.89Å; W129-R171 VanDerWaalsContact O-CD 3.22Å; W129-R171 WeakPolarHBondContact O-CD 3.36Å; W129-R171 PolarHBondContact O-NE 2.87Å; E131-R171 PolarHBondContact O-NH2 3.01Å; R171-P234 HydrophobicContact CB-CB 4.01Å; R171-P234 HydrophobicContact CB-CG 4.31Å; R171-P234 WeakPolarHBondContact CD-O 3.32Å; R171-P234 HydrophobicContact CG-CB 4.09Å; R171-P234 PolarHBondContact NH1-O 2.8Å
172A96.9Very high97.3Very high0 Ų031.8 Ų31.80%016%0.158CC..  trans-53.8138.1176.200000111.4L138 F167 G170 P234L138-A172 HydrophobicContact CB-CB 4.31Å; L138-A172 HydrophobicContact CD2-CB 3.95Å; L138-A172 HydrophobicContact CG-CB 4.05Å; F167-A172 HydrophobicContact CD1-CB 4.43Å; G170-A172 PolarHBondContact O-N 3.29Å; A172-P234 WeakPolarHBondContact O-CD 3.37Å; A172-P234 WeakPolarHBondContact O-CG 3.27Å
173R97.3Very high97.3Very high45 Ų4527.8 Ų27.817%0.1714%0.136CC..EExtended strand (participates in β ladder)trans-92.2141.4-173.8-73.1162.4-80.8162.40.4110.6P136 L138 H139 I140 T233P136-R173 PolarHBondContact O-NH2 3.05Å; L138-R173 PolarHBondContact O-N 3.46Å; H139-R173 PolarHBondContact CE1-NH1 2.9Å; H139-R173 PolarHBondContact NE2-NH1 3.29Å; H139-R173 PolarHBondContact NE2-NH2 3.35Å; I140-R173 PolarHBondContact N-O 3.26Å; R173-T233 HydrophobicContact CG-CG2 4.44Å
174L98.4Very high97.3Very high0 Ų024.5 Ų24.50%013%0.126CC..EExtended strand (participates in β ladder)trans-112.7135.1179.2-39176.3000110.4I140 I153 W156 F167 L176 H231 F232I140-L174 HydrophobicContact CB-CD2 3.68Å; I140-L174 HydrophobicContact CD1-CD2 3.65Å; I140-L174 HydrophobicContact CG1-CD2 4.02Å; I140-L174 HydrophobicContact CG2-CD2 4.3Å; I140-L174 CarbonylContact O-C 3.6Å; I140-L174 WeakPolarHBondContact O-CA 3.37Å; I153-L174 HydrophobicContact CD1-CD1 3.78Å; W156-L174 HydrophobicContact CE3-CD1 4.07Å; W156-L174 HydrophobicContact CE3-CD2 4.48Å; F167-L174 HydrophobicContact CE1-CD2 4.17Å; F167-L174 HydrophobicContact CZ-CD1 4.18Å; F167-L174 HydrophobicContact CZ-CD2 4Å; F167-L174 HydrophobicContact CZ-CG 4.5Å; L174-L176 HydrophobicContact CB-CD1 4.24Å; L174-L176 HydrophobicContact CB-CG 4.26Å; L174-H231 CarbonylContact O-C 3.48Å; L174-H231 VanDerWaalsContact O-CA 3.3Å; L174-H231 WeakPolarHBondContact O-CA 3.16Å; L174-H231 PolarHBondContact O-ND1 3.01Å; L174-F232 HydrophobicContact CB-CB 4Å; L174-F232 HydrophobicContact CB-CD2 3.99Å; L174-F232 HydrophobicContact CB-CG 4.35Å; L174-F232 HydrophobicContact CD1-CB 4.19Å; L174-F232 HydrophobicContact CD1-CG 4.38Å; L174-F232 HydrophobicContact CG-CB 4.21Å; L174-F232 PolarHBondContact N-O 2.89Å; L174-F232 PolarHBondContact O-N 2.78Å
175T98.6Very high97.4Very high1 Ų126.1 Ų26.11%0.00613%0.126CC..EExtended strand (participates in β ladder)trans-131.5101.2170.3-54.90000109.4I47 A51 I140 I141 G142 V229 V230 H231I47-T175 HydrophobicContact CG2-CG2 4.13Å; A51-T175 VanDerWaalsContact CA-OG1 3.3Å; A51-T175 WeakPolarHBondContact CA-OG1 3.39Å; A51-T175 HydrophobicContact CB-CG2 4.32Å; A51-T175 WeakPolarHBondContact CB-OG1 3.41Å; I140-T175 PolarHBondContact O-N 3.29Å; I141-T175 VanDerWaalsContact CA-O 3.29Å; I141-T175 WeakPolarHBondContact CA-O 3.33Å; I141-T175 WeakPolarHBondContact CG2-O 3.45Å; G142-T175 PolarHBondContact N-O 3.19Å; G142-T175 VanDerWaalsContact N-O 3.1Å; T175-V229 HydrophobicContact CG2-CG1 4.06Å; T175-V230 WeakPolarHBondContact CA-O 3.41Å; T175-H231 PolarHBondContact OG1-ND1 3.33Å
176L98.3Very high97.5Very high2 Ų225.3 Ų25.31%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-126152-167.2-54.7171.7000110.8G142 I153 W156 L174 F178 V230 F232G142-L176 WeakPolarHBondContact O-CA 3.15Å; I153-L176 HydrophobicContact CD1-CD1 4.12Å; W156-L176 HydrophobicContact CE3-CD1 4Å; W156-L176 HydrophobicContact CH2-CD2 4.46Å; W156-L176 HydrophobicContact CZ3-CD1 3.61Å; W156-L176 HydrophobicContact CZ3-CD2 3.88Å; W156-L176 HydrophobicContact CZ3-CG 4.36Å; L174-L176 HydrophobicContact CB-CD1 4.24Å; L174-L176 HydrophobicContact CB-CG 4.26Å; L176-F178 HydrophobicContact CB-CD2 4.46Å; L176-F178 HydrophobicContact CB-CE2 3.63Å; L176-F178 HydrophobicContact CB-CZ 3.91Å; L176-F178 HydrophobicContact CD1-CE2 4.41Å; L176-F178 HydrophobicContact CD1-CZ 3.97Å; L176-V230 PolarHBondContact N-O 2.84Å; L176-V230 PolarHBondContact O-N 2.97Å; L176-F232 HydrophobicContact CD1-CE2 4.43Å
177T97.3Very high97.6Very high1 Ų126.9 Ų26.91%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-96.2144.6170.571.50000111.4I47 G142 N143 L144 V227 G228 V229I47-T177 HydrophobicContact CD1-CG2 4.26Å; G142-T177 PolarHBondContact O-N 2.95Å; N143-T177 VanDerWaalsContact CA-OG1 3.28Å; N143-T177 WeakPolarHBondContact CA-OG1 3.32Å; N143-T177 HydrophobicContact CB-CG2 4.2Å; N143-T177 WeakPolarHBondContact OD1-CG2 3.36Å; N143-T177 PolarHBondContact OD1-OG1 2.97Å; L144-T177 PolarHBondContact N-OG1 3.34Å; T177-V227 HydrophobicContact CG2-CG1 4.24Å; T177-G228 WeakPolarHBondContact CA-O 3.42Å; T177-V229 HydrophobicContact CG2-CG2 4.34Å
178F97.1Very high97.6Very high0 Ų027.1 Ų27.10%013%0.129CC..EExtended strand (participates in β ladder)trans-140164.6174.4-59.5-89.3000109.4I153 L176 K180 V182 A183 L186 V227 G228 V230 F232I153-F178 HydrophobicContact CB-CE1 4.09Å; I153-F178 HydrophobicContact CB-CZ 3.98Å; I153-F178 HydrophobicContact CG1-CZ 4.2Å; I153-F178 HydrophobicContact CG2-CE1 3.76Å; I153-F178 HydrophobicContact CG2-CZ 4.08Å; L176-F178 HydrophobicContact CB-CD2 4.46Å; L176-F178 HydrophobicContact CB-CE2 3.63Å; L176-F178 HydrophobicContact CB-CZ 3.91Å; L176-F178 HydrophobicContact CD1-CE2 4.41Å; L176-F178 HydrophobicContact CD1-CZ 3.97Å; F178-K180 PolarHBondContact O-N 2.84Å; F178-V182 HydrophobicContact CB-CB 4.01Å; F178-V182 HydrophobicContact CB-CG1 3.94Å; F178-V182 HydrophobicContact CD1-CG1 3.78Å; F178-V182 HydrophobicContact CG-CG1 4.06Å; F178-A183 HydrophobicContact CB-CB 4.42Å; F178-L186 HydrophobicContact CD1-CD1 4.22Å; F178-L186 HydrophobicContact CD2-CD1 3.8Å; F178-L186 HydrophobicContact CE1-CD1 4.2Å; F178-L186 HydrophobicContact CE2-CD1 3.78Å; F178-L186 HydrophobicContact CG-CD1 4.02Å; F178-L186 HydrophobicContact CZ-CD1 3.99Å; F178-V227 CarbonylContact O-C 3.49Å; F178-V227 WeakPolarHBondContact O-CA 3.36Å; F178-V227 WeakPolarHBondContact O-CG1 3.29Å; F178-G228 PolarHBondContact N-O 3.24Å; F178-G228 PolarHBondContact O-N 3.35Å; F178-V230 HydrophobicContact CD2-CB 4.11Å; F178-V230 HydrophobicContact CD2-CG2 3.84Å; F178-V230 HydrophobicContact CE2-CB 4.07Å; F178-V230 HydrophobicContact CE2-CG2 4.28Å; F178-F232 AromaticContact CE2-CE2 3.82Å; F178-F232 HydrophobicContact CE2-CE2 3.82Å; F178-F232 AromaticContact CE2-CZ 3.95Å; F178-F232 HydrophobicContact CE2-CZ 3.95Å; F178-F232 HydrophobicContact CZ-CE2 4.21Å; F178-F232 HydrophobicContact CZ-CZ 4.14Å
179Q96.7Very high97.6Very high69 Ų6927.6 Ų27.632%0.32214%0.135SC..EExtended strand (participates in β ladder)trans-52.3142.3162-63-179-54.100109.7F146 E181 V182 A183 V225F146-Q179 HydrophobicContact CB-CG 3.78Å; F146-Q179 HydrophobicContact CD1-CG 3.5Å; F146-Q179 HydrophobicContact CD2-CG 3.33Å; F146-Q179 HydrophobicContact CE1-CG 3.84Å; F146-Q179 HydrophobicContact CE2-CG 3.68Å; F146-Q179 HydrophobicContact CG-CG 3.24Å; F146-Q179 HydrophobicContact CZ-CG 3.93Å; Q179-E181 PolarHBondContact O-N 3.12Å; Q179-E181 VanDerWaalsContact O-N 3.16Å; Q179-V182 HydrophobicContact CB-CB 4.49Å; Q179-V182 HydrophobicContact CB-CG2 4.23Å; Q179-V182 WeakPolarHBondContact O-CA 3.31Å; Q179-V182 WeakPolarHBondContact O-CB 3.29Å; Q179-V182 PolarHBondContact O-N 3.41Å; Q179-A183 PolarHBondContact O-N 2.84Å; Q179-V225 HydrophobicContact CB-CG2 3.99Å; Q179-V225 HydrophobicContact CG-CG2 3.77Å
180K97.1Very high97.7Very high78 Ų7830.3 Ų30.334%0.33915%0.152SC..Hα-helixtrans-49.9-44.3-177.4176.7-179.2172.6-174.30112.5F178 V182 A183 E184 V213 D226F178-K180 PolarHBondContact O-N 2.84Å; K180-V182 PolarHBondContact O-N 3.49Å; K180-A183 PolarHBondContact O-N 3.18Å; K180-E184 WeakPolarHBondContact CE-OE1 3.19Å; K180-E184 WeakPolarHBondContact O-CG 3.46Å; K180-E184 PolarHBondContact O-N 3.24Å; K180-V213 HydrophobicContact CD-CG1 4.29Å; K180-D226 HydrophobicContact CB-CB 4.08Å; K180-D226 VanDerWaalsContact CB-O 3.3Å; K180-D226 WeakPolarHBondContact CB-O 3.33Å; K180-D226 HydrophobicContact CD-CB 3.97Å; K180-D226 PolarHBondContact N-O 3.44Å
181E97.3Very high97.6Very high89 Ų8932.7 Ų32.742%0.41618%0.176SC..Hα-helixtrans-63.2-40.8178.7-171-175.2-179.400112.3Q179 E184 R185Q179-E181 PolarHBondContact O-N 3.12Å; Q179-E181 VanDerWaalsContact O-N 3.16Å; E181-E184 PolarHBondContact O-N 3.33Å; E181-R185 WeakPolarHBondContact O-CB 3.45Å; E181-R185 VanDerWaalsContact O-CG 3.29Å; E181-R185 WeakPolarHBondContact O-CG 3.32Å; E181-R185 PolarHBondContact O-N 3.43Å; E181-R185 IonicContact OE1-CZ 2.77Å; E181-R185 VanDerWaalsContact OE1-CZ 3.23Å; E181-R185 IonicContact OE1-NE 3.34Å; E181-R185 PolarHBondContact OE1-NE 2.89Å; E181-R185 IonicContact OE1-NH2 2.7Å; E181-R185 PolarHBondContact OE1-NH2 3.29Å; E181-R185 IonicContact OE2-NH2 3.44Å
182V97.8Very high97.6Very high13 Ų1333.6 Ų33.68%0.07919%0.185CC..Hα-helixtrans-65.8-42.2177.1176.20000110.5F178 Q179 K180 E184 R185 L186 L198F178-V182 HydrophobicContact CB-CB 4.01Å; F178-V182 HydrophobicContact CB-CG1 3.94Å; F178-V182 HydrophobicContact CD1-CG1 3.78Å; F178-V182 HydrophobicContact CG-CG1 4.06Å; Q179-V182 HydrophobicContact CB-CB 4.49Å; Q179-V182 HydrophobicContact CB-CG2 4.23Å; Q179-V182 WeakPolarHBondContact O-CA 3.31Å; Q179-V182 WeakPolarHBondContact O-CB 3.29Å; Q179-V182 PolarHBondContact O-N 3.41Å; K180-V182 PolarHBondContact O-N 3.49Å; V182-E184 VanDerWaalsContact C-N 3.33Å; V182-E184 PolarHBondContact O-N 3.16Å; V182-R185 PolarHBondContact O-N 3.24Å; V182-L186 HydrophobicContact CG1-CD1 4.02Å; V182-L186 WeakPolarHBondContact O-CD1 3.27Å; V182-L186 WeakPolarHBondContact O-CG 3.43Å; V182-L186 PolarHBondContact O-N 3.43Å; V182-L198 HydrophobicContact CG1-CD2 3.82Å
183A98.1Very high97.5Very high0 Ų044.1 Ų44.10%023%0.225CC..Hα-helixtrans-61.4-40.1174.300000112.6F178 Q179 K180 T187 V230F178-A183 HydrophobicContact CB-CB 4.42Å; Q179-A183 PolarHBondContact O-N 2.84Å; K180-A183 PolarHBondContact O-N 3.18Å; A183-T187 PolarHBondContact O-N 3.32Å; A183-T187 PolarHBondContact O-OG1 2.83Å; A183-V230 HydrophobicContact CB-CG2 3.49Å; A183-V230 VanDerWaalsContact CB-CG2 3.49Å
184E98.3Very high97.5Very high46 Ų4644.4 Ų44.422%0.21523%0.228CC..Hα-helixtrans-65.2-42.4174-73.4172.1-179.200111.8K180 E181 V182 T187 A188 Q194K180-E184 WeakPolarHBondContact CE-OE1 3.19Å; K180-E184 WeakPolarHBondContact O-CG 3.46Å; K180-E184 PolarHBondContact O-N 3.24Å; E181-E184 PolarHBondContact O-N 3.33Å; V182-E184 VanDerWaalsContact C-N 3.33Å; V182-E184 PolarHBondContact O-N 3.16Å; E184-T187 CarbonylContact O-C 3.56Å; E184-T187 PolarHBondContact O-N 2.93Å; E184-T187 PolarHBondContact O-OG1 2.93Å; E184-A188 WeakPolarHBondContact O-CB 3.21Å; E184-A188 PolarHBondContact O-N 3.37Å; E184-Q194 HydrophobicContact CB-CB 4.43Å; E184-Q194 HydrophobicContact CB-CG 4.13Å; E184-Q194 PolarHBondContact OE2-NE2 3.48Å
185R97.9Very high97.5Very high92 Ų9244.5 Ų44.535%0.34723%0.228SC..Hα-helixtrans-61.6-47.2175-73.6171.7-179.3-172.71111.5E181 V182 T187 A188 Q194 S199E181-R185 WeakPolarHBondContact O-CB 3.45Å; E181-R185 VanDerWaalsContact O-CG 3.29Å; E181-R185 WeakPolarHBondContact O-CG 3.32Å; E181-R185 PolarHBondContact O-N 3.43Å; E181-R185 IonicContact OE1-CZ 2.77Å; E181-R185 VanDerWaalsContact OE1-CZ 3.23Å; E181-R185 IonicContact OE1-NE 3.34Å; E181-R185 PolarHBondContact OE1-NE 2.89Å; E181-R185 IonicContact OE1-NH2 2.7Å; E181-R185 PolarHBondContact OE1-NH2 3.29Å; E181-R185 IonicContact OE2-NH2 3.44Å; V182-R185 PolarHBondContact O-N 3.24Å; R185-T187 PolarHBondContact O-N 3.48Å; R185-T187 VanDerWaalsContact O-N 3.16Å; R185-A188 PolarHBondContact O-N 3.37Å; R185-Q194 HydrophobicContact CG-CB 4.49Å; R185-Q194 WeakPolarHBondContact CG-O 3.47Å; R185-S199 WeakPolarHBondContact O-CA 3.45Å; R185-S199 VanDerWaalsContact O-CB 3.24Å; R185-S199 WeakPolarHBondContact O-CB 3.42Å; R185-S199 PolarHBondContact O-OG 3.16Å
186L98.3Very high97.4Very high0 Ų045.1 Ų45.10%023%0.233CC..Hα-helixtrans-55.6-33.1178.3-77.5159000112.8F178 V182 L198 A202 Q203 V208 V230 F232F178-L186 HydrophobicContact CD1-CD1 4.22Å; F178-L186 HydrophobicContact CD2-CD1 3.8Å; F178-L186 HydrophobicContact CE1-CD1 4.2Å; F178-L186 HydrophobicContact CE2-CD1 3.78Å; F178-L186 HydrophobicContact CG-CD1 4.02Å; F178-L186 HydrophobicContact CZ-CD1 3.99Å; V182-L186 HydrophobicContact CG1-CD1 4.02Å; V182-L186 WeakPolarHBondContact O-CD1 3.27Å; V182-L186 WeakPolarHBondContact O-CG 3.43Å; V182-L186 PolarHBondContact O-N 3.43Å; L186-L198 HydrophobicContact CD1-CD2 4.4Å; L186-L198 HydrophobicContact CD2-CD1 3.9Å; L186-L198 HydrophobicContact CD2-CD2 3.8Å; L186-L198 HydrophobicContact CD2-CG 3.52Å; L186-L198 HydrophobicContact CG-CD2 3.71Å; L186-L198 HydrophobicContact CG-CG 3.91Å; L186-A202 HydrophobicContact CD2-CB 3.75Å; L186-Q203 PolarHBondContact O-NE2 3.41Å; L186-V208 HydrophobicContact CB-CG1 4.25Å; L186-V230 HydrophobicContact CD1-CG2 4.42Å; L186-F232 HydrophobicContact CD1-CZ 3.97Å; L186-F232 HydrophobicContact CD2-CE1 3.94Å; L186-F232 HydrophobicContact CD2-CZ 4Å; L186-F232 HydrophobicContact CG-CZ 4.48Å
187T98.1Very high97.3Very high38 Ų3848.7 Ų48.723%0.23325%0.246CC..Hα-helixtrans-106.93.1-173.254.70000114.2A183 E184 R185 S189 V208 K210 V230A183-T187 PolarHBondContact O-N 3.32Å; A183-T187 PolarHBondContact O-OG1 2.83Å; E184-T187 CarbonylContact O-C 3.56Å; E184-T187 PolarHBondContact O-N 2.93Å; E184-T187 PolarHBondContact O-OG1 2.93Å; R185-T187 PolarHBondContact O-N 3.48Å; R185-T187 VanDerWaalsContact O-N 3.16Å; T187-S189 PolarHBondContact O-N 3.45Å; T187-V208 HydrophobicContact CG2-CB 4.37Å; T187-V208 HydrophobicContact CG2-CG1 3.73Å; T187-K210 HydrophobicContact CG2-CB 3.94Å; T187-V230 HydrophobicContact CG2-CG1 4.31Å
188A98.3Very high97.3Very high6 Ų649.5 Ų49.55%0.0525%0.25CS..PPolyproline II helixtrans-69.2126.1-177.300000112.3E184 R185 Q194 R195 Q203E184-A188 WeakPolarHBondContact O-CB 3.21Å; E184-A188 PolarHBondContact O-N 3.37Å; R185-A188 PolarHBondContact O-N 3.37Å; A188-Q194 VanDerWaalsContact CB-C 3.49Å; A188-Q194 HydrophobicContact CB-CB 3.93Å; A188-R195 HydrophobicContact CB-CB 4.23Å; A188-R195 PolarHBondContact O-NH1 3.47Å; A188-Q203 PolarHBondContact O-NE2 2.54Å
189S97.6Very high97.4Very high76 Ų7649.5 Ų49.553%0.53125%0.25SS..PPolyproline II helixtrans-75.1173.8174.859.20000112.7T187 S192 R195T187-S189 PolarHBondContact O-N 3.45Å; S189-S192 VanDerWaalsContact O-CB 3.32Å; S189-S192 WeakPolarHBondContact O-CB 3.47Å; S189-S192 PolarHBondContact O-N 3.3Å; S189-R195 WeakPolarHBondContact O-CD 3.38Å; S189-R195 PolarHBondContact O-NH1 2.99Å
190T97.7Very high97.4Very high62 Ų6246.2 Ų46.238%0.3824%0.235SC..THydrogen-bonded Turntrans-56.9140.1170.3-48.90000110.5S192 R195 E296 T298T190-S192 PolarHBondContact O-N 3.2Å; T190-R195 VanDerWaalsContact N-NH1 3.18Å; T190-R195 PolarHBondContact OG1-NH2 3.22Å; T190-E296 WeakPolarHBondContact CG2-O 3.21Å; T190-T298 HydrophobicContact CG2-CG2 4.09Å
191G95.9Very high97.5Very high51 Ų5142.8 Ų42.853%0.52622%0.22SC..THydrogen-bonded Turntrans80.2-16.1-177.400000115T295G191-T295 WeakPolarHBondContact CA-O 3.22Å; G191-T295 PolarHBondContact N-O 3.23Å
192S97Very high97.6Very high36 Ų3638.5 Ų38.525%0.25220%0.2SC..  trans-66.2140.4-179.3176.40000112.6S189 T190 Q194 R195S189-S192 VanDerWaalsContact O-CB 3.32Å; S189-S192 WeakPolarHBondContact O-CB 3.47Å; S189-S192 PolarHBondContact O-N 3.3Å; T190-S192 PolarHBondContact O-N 3.2Å; S192-Q194 PolarHBondContact O-N 3.37Å; S192-Q194 PolarHBondContact OG-N 3Å; S192-R195 WeakPolarHBondContact O-CB 3.32Å; S192-R195 PolarHBondContact O-N 3.1Å
193R94.9Very high97.6Very high222 Ų22239.4 Ų39.484%0.83820%0.203SC*.THydrogen-bonded Turntrans-57.6-31.2172.3-178.6174.3171.4161.9-2.7112.6R195 R258R193-R195 VanDerWaalsContact C-N 3.32Å; R193-R258 PolarHBondContact O-NH2 3.03Å
194Q97.1Very high97.6Very high51 Ų5139.4 Ų39.424%0.23820%0.204CC..THydrogen-bonded Turntrans-83.8-5.9178.6-61.5-67.542.800113.1E184 R185 A188 S192 S196E184-Q194 HydrophobicContact CB-CB 4.43Å; E184-Q194 HydrophobicContact CB-CG 4.13Å; E184-Q194 PolarHBondContact OE2-NE2 3.48Å; R185-Q194 HydrophobicContact CG-CB 4.49Å; R185-Q194 WeakPolarHBondContact CG-O 3.47Å; A188-Q194 VanDerWaalsContact CB-C 3.49Å; A188-Q194 HydrophobicContact CB-CB 3.93Å; S192-Q194 PolarHBondContact O-N 3.37Å; S192-Q194 PolarHBondContact OG-N 3Å; Q194-S196 PolarHBondContact O-N 3.47Å
195R97.5Very high97.7Very high1 Ų137.4 Ų37.40%0.00419%0.194CC..  trans-61.6129.2178-166.9-180-17371-8.5109.9A188 S189 T190 S192 R193 S199 I200 F255 R258 T295 L297A188-R195 HydrophobicContact CB-CB 4.23Å; A188-R195 PolarHBondContact O-NH1 3.47Å; S189-R195 WeakPolarHBondContact O-CD 3.38Å; S189-R195 PolarHBondContact O-NH1 2.99Å; T190-R195 VanDerWaalsContact N-NH1 3.18Å; T190-R195 PolarHBondContact OG1-NH2 3.22Å; S192-R195 WeakPolarHBondContact O-CB 3.32Å; S192-R195 PolarHBondContact O-N 3.1Å; R193-R195 VanDerWaalsContact C-N 3.32Å; R195-S199 WeakPolarHBondContact CA-OG 3.47Å; R195-I200 VanDerWaalsContact CZ-CD1 3.47Å; R195-F255 HydrophobicContact CG-CE1 4.44Å; R195-F255 HydrophobicContact CG-CZ 4.36Å; R195-R258 VanDerWaalsContact O-CZ 3.24Å; R195-R258 PolarHBondContact O-NH1 3.41Å; R195-R258 PolarHBondContact O-NH2 3.3Å; R195-T295 HydrophobicContact CB-CG2 4.29Å; R195-T295 WeakPolarHBondContact CD-O 3.48Å; R195-L297 PolarHBondContact NE-O 3.39Å; R195-L297 VanDerWaalsContact NE-O 3.11Å; R195-L297 PolarHBondContact NH2-O 2.97Å
196S96.8Very high97.7Very high14 Ų1433.2 Ų33.210%0.09818%0.179CC..  trans-148.9177.9-172.667.10000110.4Q194 L198 S199 I200Q194-S196 PolarHBondContact O-N 3.47Å; S196-L198 PolarHBondContact O-N 2.82Å; S196-L198 PolarHBondContact OG-N 3.26Å; S196-S199 PolarHBondContact N-OG 2.99Å; S196-S199 VanDerWaalsContact O-CB 3.25Å; S196-S199 WeakPolarHBondContact O-CB 3.32Å; S196-S199 PolarHBondContact O-N 3.42Å; S196-S199 PolarHBondContact O-OG 3.12Å; S196-S199 PolarHBondContact OG-OG 3.45Å; S196-I200 PolarHBondContact O-N 2.84Å
197R96.6Very high97.7Very high77 Ų7736 Ų3629%0.29120%0.196SC..Hα-helixtrans-47.5-45.4170.1177.6177.377.599.9-1.5111.7S199 I200 M201 E248 V251R197-S199 VanDerWaalsContact C-N 3.28Å; R197-S199 PolarHBondContact O-N 2.93Å; R197-I200 PolarHBondContact O-N 3.44Å; R197-M201 HydrophobicContact CG-CG 4.08Å; R197-M201 VanDerWaalsContact O-CG 3.31Å; R197-M201 WeakPolarHBondContact O-CG 3.26Å; R197-M201 PolarHBondContact O-N 3.11Å; R197-E248 IonicContact NH1-OE1 2.8Å; R197-E248 PolarHBondContact NH1-OE1 3.02Å; R197-V251 HydrophobicContact CB-CG1 4Å; R197-V251 HydrophobicContact CG-CG1 3.74Å
198L97.1Very high97.7Very high19 Ų1935.2 Ų35.210%0.09919%0.191CC..Hα-helixtrans-65.3-32-176.9-16961.6000112.6I154 V182 L186 S196 A202I154-L198 HydrophobicContact CG1-CD1 4.33Å; V182-L198 HydrophobicContact CG1-CD2 3.82Å; L186-L198 HydrophobicContact CD1-CD2 4.4Å; L186-L198 HydrophobicContact CD2-CD1 3.9Å; L186-L198 HydrophobicContact CD2-CD2 3.8Å; L186-L198 HydrophobicContact CD2-CG 3.52Å; L186-L198 HydrophobicContact CG-CD2 3.71Å; L186-L198 HydrophobicContact CG-CG 3.91Å; S196-L198 PolarHBondContact O-N 2.82Å; S196-L198 PolarHBondContact OG-N 3.26Å; L198-A202 WeakPolarHBondContact O-CB 3.49Å; L198-A202 PolarHBondContact O-N 2.77Å; L198-A202 VanDerWaalsContact O-N 3.1Å
199S98.3Very high97.7Very high0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-60.2-50.9173.9-40.60000110.7R185 R195 S196 R197 Q203R185-S199 WeakPolarHBondContact O-CA 3.45Å; R185-S199 VanDerWaalsContact O-CB 3.24Å; R185-S199 WeakPolarHBondContact O-CB 3.42Å; R185-S199 PolarHBondContact O-OG 3.16Å; R195-S199 WeakPolarHBondContact CA-OG 3.47Å; S196-S199 PolarHBondContact N-OG 2.99Å; S196-S199 VanDerWaalsContact O-CB 3.25Å; S196-S199 WeakPolarHBondContact O-CB 3.32Å; S196-S199 PolarHBondContact O-N 3.42Å; S196-S199 PolarHBondContact O-OG 3.12Å; S196-S199 PolarHBondContact OG-OG 3.45Å; R197-S199 VanDerWaalsContact C-N 3.28Å; R197-S199 PolarHBondContact O-N 2.93Å; S199-Q203 WeakPolarHBondContact O-CB 3.48Å; S199-Q203 VanDerWaalsContact O-CD 3.31Å; S199-Q203 WeakPolarHBondContact O-CG 3.49Å; S199-Q203 PolarHBondContact O-N 3.23Å
200I98.4Very high97.8Very high0 Ų041.4 Ų41.40%021%0.207CC..Hα-helixtrans-63.9-53.9-178.6-55-56.8000109.9R195 S196 R197 A202 Q203 Y204 V251 F255 I302R195-I200 VanDerWaalsContact CZ-CD1 3.47Å; S196-I200 PolarHBondContact O-N 2.84Å; R197-I200 PolarHBondContact O-N 3.44Å; I200-A202 PolarHBondContact O-N 2.83Å; I200-Q203 PolarHBondContact O-N 2.85Å; I200-Y204 VanDerWaalsContact O-CD1 3.31Å; I200-Y204 WeakPolarHBondContact O-CD1 3.14Å; I200-Y204 PolarHBondContact O-N 3.04Å; I200-V251 HydrophobicContact CB-CG1 3.95Å; I200-V251 HydrophobicContact CB-CG2 4.34Å; I200-V251 HydrophobicContact CG1-CG1 4.15Å; I200-V251 HydrophobicContact CG2-CG1 4.25Å; I200-V251 HydrophobicContact CG2-CG2 3.73Å; I200-F255 HydrophobicContact CD1-CE2 4.46Å; I200-F255 HydrophobicContact CD1-CZ 4.4Å; I200-F255 HydrophobicContact CG1-CE2 3.71Å; I200-F255 HydrophobicContact CG1-CZ 3.97Å; I200-I302 HydrophobicContact CD1-CG1 4.35Å; I200-I302 HydrophobicContact CG2-CB 4.36Å; I200-I302 HydrophobicContact CG2-CG1 4.17Å; I200-I302 HydrophobicContact CG2-CG2 3.96Å
201M98.6Very high97.8Very high5 Ų543.4 Ų43.43%0.02521%0.208CC..Hα-helixtrans-57.2-37.1-175.5-64.8-51.3-67.800112.6L157 R197 Y204 F244 V247 E248 V251L157-M201 HydrophobicContact CD1-CB 4.29Å; R197-M201 HydrophobicContact CG-CG 4.08Å; R197-M201 VanDerWaalsContact O-CG 3.31Å; R197-M201 WeakPolarHBondContact O-CG 3.26Å; R197-M201 PolarHBondContact O-N 3.11Å; M201-Y204 HydrophobicContact CE-CE1 3.89Å; M201-Y204 VanDerWaalsContact O-CD1 3.29Å; M201-Y204 WeakPolarHBondContact O-CD1 3.42Å; M201-Y204 WeakPolarHBondContact O-CE1 3.08Å; M201-Y204 HydrophobicContact SD-CE1 4.12Å; M201-F244 HydrophobicContact CE-CD2 3.9Å; M201-F244 HydrophobicContact CE-CE1 4.13Å; M201-F244 HydrophobicContact CE-CE2 3.36Å; M201-F244 HydrophobicContact CE-CG 4.48Å; M201-F244 HydrophobicContact CE-CZ 3.5Å; M201-F244 VanDerWaalsContact CE-CZ 3.5Å; M201-V247 HydrophobicContact SD-CG1 4.1Å; M201-E248 HydrophobicContact CE-CB 3.75Å; M201-E248 HydrophobicContact CE-CG 4.37Å; M201-E248 HydrophobicContact SD-CB 4.37Å; M201-V251 HydrophobicContact SD-CB 4.31Å; M201-V251 HydrophobicContact SD-CG2 4.26Å
202A98.7Very high97.9Very high0 Ų042.1 Ų42.10%019%0.188CC..Hα-helixtrans-77.8-46177.700000112.5L157 L186 L198 I200 L205 C206 V208 F232L157-A202 HydrophobicContact CD1-CB 4.04Å; L157-A202 HydrophobicContact CD2-CB 4.35Å; L186-A202 HydrophobicContact CD2-CB 3.75Å; L198-A202 WeakPolarHBondContact O-CB 3.49Å; L198-A202 PolarHBondContact O-N 2.77Å; L198-A202 VanDerWaalsContact O-N 3.1Å; I200-A202 PolarHBondContact O-N 2.83Å; A202-L205 PolarHBondContact O-N 2.9Å; A202-C206 WeakPolarHBondContact O-CB 3.2Å; A202-C206 PolarHBondContact O-N 3.46Å; A202-V208 HydrophobicContact CB-CG2 3.86Å; A202-F232 HydrophobicContact CB-CE1 4.27Å
203Q98.8Very high98Very high31 Ų3143 Ų4315%0.14519%0.192CC..Hα-helixtrans-76.3-24.8-170.1-67.1167.523.400113.7L186 A188 S199 I200 L205 C206 V208 Q239 I299L186-Q203 PolarHBondContact O-NE2 3.41Å; A188-Q203 PolarHBondContact O-NE2 2.54Å; S199-Q203 WeakPolarHBondContact O-CB 3.48Å; S199-Q203 VanDerWaalsContact O-CD 3.31Å; S199-Q203 WeakPolarHBondContact O-CG 3.49Å; S199-Q203 PolarHBondContact O-N 3.23Å; I200-Q203 PolarHBondContact O-N 2.85Å; Q203-L205 PolarHBondContact O-N 3.24Å; Q203-C206 CarbonylContact C-O 3.56Å; Q203-C206 WeakPolarHBondContact CA-O 3.46Å; Q203-V208 HydrophobicContact CG-CG2 4.18Å; Q203-Q239 PolarHBondContact O-NE2 3.38Å; Q203-I299 HydrophobicContact CB-CD1 3.7Å
204Y98.6Very high98.1Very high1 Ų132.5 Ų32.50%0.00415%0.152CC..THydrogen-bonded Turntrans-72.8-22.2175.793.1-93.8000112.5I200 M201 P238 Q239 I240 F244 V247I200-Y204 VanDerWaalsContact O-CD1 3.31Å; I200-Y204 WeakPolarHBondContact O-CD1 3.14Å; I200-Y204 PolarHBondContact O-N 3.04Å; M201-Y204 HydrophobicContact CE-CE1 3.89Å; M201-Y204 VanDerWaalsContact O-CD1 3.29Å; M201-Y204 WeakPolarHBondContact O-CD1 3.42Å; M201-Y204 WeakPolarHBondContact O-CE1 3.08Å; M201-Y204 HydrophobicContact SD-CE1 4.12Å; Y204-P238 HydrophobicContact CD2-CB 4.4Å; Y204-P238 CarbonylContact O-C 3.37Å; Y204-P238 WeakPolarHBondContact O-CA 3.35Å; Y204-Q239 PolarHBondContact O-N 3.35Å; Y204-I240 HydrophobicContact CD2-CB 3.69Å; Y204-I240 HydrophobicContact CD2-CD1 4.22Å; Y204-I240 HydrophobicContact CD2-CG1 4.06Å; Y204-I240 HydrophobicContact CE2-CB 4.15Å; Y204-I240 HydrophobicContact CG-CB 4.32Å; Y204-I240 HydrophobicContact CG-CD1 3.98Å; Y204-I240 HydrophobicContact CG-CG1 4.2Å; Y204-F244 WeakPolarHBondContact OH-CD2 3.46Å; Y204-V247 HydrophobicContact CD1-CG1 4.43Å; Y204-V247 HydrophobicContact CE1-CG1 4.03Å
205L98.8Very high98.1Very high4 Ų432.3 Ų32.32%0.02116%0.155CC..THydrogen-bonded Turntrans-103.9-27.1179.9-68170000113.3L157 I160 A161 A202 Q203 L235 P238 F244L157-L205 HydrophobicContact CB-CD1 3.91Å; L157-L205 HydrophobicContact CD2-CB 4.26Å; L157-L205 HydrophobicContact CD2-CD1 4.03Å; L157-L205 WeakPolarHBondContact O-CD1 3.35Å; I160-L205 HydrophobicContact CG2-CB 3.99Å; I160-L205 HydrophobicContact CG2-CD2 4.24Å; I160-L205 HydrophobicContact CG2-CG 4.49Å; A161-L205 HydrophobicContact CB-CD1 4.28Å; A161-L205 HydrophobicContact CB-CD2 3.97Å; A202-L205 PolarHBondContact O-N 2.9Å; Q203-L205 PolarHBondContact O-N 3.24Å; L205-L235 WeakPolarHBondContact O-CB 3.47Å; L205-L235 WeakPolarHBondContact O-CG 3.3Å; L205-L235 PolarHBondContact O-N 3.44Å; L205-P238 HydrophobicContact CD2-CB 3.96Å; L205-F244 HydrophobicContact CD1-CD2 4.28Å; L205-F244 HydrophobicContact CD1-CE2 4.27Å
206C98.7Very high98Very high3 Ų332.3 Ų32.32%0.0216%0.156CC..EExtended strand (participates in β ladder)trans-134.1151.5-171.6-63.80000112.4I160 A202 Q203 V208 F232 T233I160-C206 VanDerWaalsContact CD1-SG 3.6Å; A202-C206 WeakPolarHBondContact O-CB 3.2Å; A202-C206 PolarHBondContact O-N 3.46Å; Q203-C206 CarbonylContact C-O 3.56Å; Q203-C206 WeakPolarHBondContact CA-O 3.46Å; C206-V208 HydrophobicContact CB-CG2 3.85Å; C206-V208 PolarHBondContact O-N 2.95Å; C206-F232 HydrophobicContact CB-CB 4.41Å; C206-F232 HydrophobicContact CB-CD1 4.35Å; C206-T233 CarbonylContact C-O 3.38Å; C206-T233 VanDerWaalsContact CA-O 3.29Å; C206-T233 WeakPolarHBondContact CA-O 3.4Å
207T98.3Very high97.9Very high60 Ų6041.1 Ų41.137%0.36819%0.187SC..EExtended strand (participates in β ladder)trans-74.7118.3150.8-61.90000108.3K209 F232 T233 L235T207-K209 HydrophobicContact CG2-CG 4.31Å; T207-F232 WeakPolarHBondContact O-CA 3.25Å; T207-T233 PolarHBondContact N-O 2.83Å; T207-T233 PolarHBondContact O-N 3.41Å; T207-L235 WeakPolarHBondContact OG1-CD2 3.46Å
208V98.6Very high97.8Very high21 Ų2138.9 Ų38.913%0.12719%0.185CC..EExtended strand (participates in β ladder)trans-114.5121.8-176.1-166.70000109.7L186 T187 A202 Q203 C206 V230 F232L186-V208 HydrophobicContact CB-CG1 4.25Å; T187-V208 HydrophobicContact CG2-CB 4.37Å; T187-V208 HydrophobicContact CG2-CG1 3.73Å; A202-V208 HydrophobicContact CB-CG2 3.86Å; Q203-V208 HydrophobicContact CG-CG2 4.18Å; C206-V208 HydrophobicContact CB-CG2 3.85Å; C206-V208 PolarHBondContact O-N 2.95Å; V208-V230 HydrophobicContact CG1-CG1 3.48Å; V208-V230 VanDerWaalsContact CG1-CG1 3.48Å; V208-F232 HydrophobicContact CB-CD1 4.37Å; V208-F232 HydrophobicContact CB-CE1 4.49Å; V208-F232 HydrophobicContact CG1-CD1 3.83Å; V208-F232 HydrophobicContact CG1-CE1 3.58Å; V208-F232 HydrophobicContact CG1-CZ 4.09Å; V208-F232 HydrophobicContact CG2-CD1 3.84Å; V208-F232 HydrophobicContact CG2-CE1 4.09Å
209K98.4Very high97.6Very high119 Ų11938.2 Ų38.252%0.51718%0.181SC..EExtended strand (participates in β ladder)trans-126.2123-177.9-67.2-176.7179.3178.90111.1T207 R211 V230 H231T207-K209 HydrophobicContact CG2-CG 4.31Å; K209-R211 PolarHBondContact O-N 3.25Å; K209-V230 WeakPolarHBondContact O-CA 3.5Å; K209-H231 PolarHBondContact N-O 2.95Å; K209-H231 PolarHBondContact O-N 3.32Å
210K98.1Very high97.2Very high92 Ų9242.1 Ų42.140%0.421%0.205SC..EExtended strand (participates in β ladder)trans-75116.6166.7-176.8176.269.5178.20107.1T187 V213T187-K210 HydrophobicContact CG2-CB 3.94Å; K210-V213 HydrophobicContact CD-CG2 4.48Å
211R98.3Very high96.7Very high104 Ų10445 Ų4539%0.39222%0.224SC..EExtended strand (participates in β ladder)trans-86.1-52.5-174.2-56.9-66.9-102.6155.3-1.8111Q50 K209 V229 H231Q50-R211 HydrophobicContact CB-CB 4.14Å; Q50-R211 HydrophobicContact CB-CG 3.98Å; Q50-R211 HydrophobicContact CG-CB 3.78Å; Q50-R211 HydrophobicContact CG-CG 4.17Å; Q50-R211 PolarHBondContact O-NE 3.34Å; Q50-R211 PolarHBondContact O-NH2 3.4Å; Q50-R211 VanDerWaalsContact O-NH2 3.1Å; K209-R211 PolarHBondContact O-N 3.25Å; R211-V229 HydrophobicContact CB-CG1 4.44Å; R211-V229 PolarHBondContact N-O 3.13Å; R211-H231 HydrophobicContact CG-CB 3.85Å
212F98.4Very high96.3Very high25 Ų2552.1 Ų52.111%0.1126%0.255CS..EExtended strand (participates in β ladder)trans-162.6172.9174.163.2-78.9000110.9K46 I47 Q50 I214 V229K46-F212 HydrophobicContact CB-CZ 4.03Å; K46-F212 HydrophobicContact CD-CD1 4.5Å; K46-F212 HydrophobicContact CD-CD2 4.12Å; K46-F212 HydrophobicContact CD-CE1 4.16Å; K46-F212 HydrophobicContact CD-CE2 3.7Å; K46-F212 HydrophobicContact CD-CG 4.49Å; K46-F212 HydrophobicContact CD-CZ 3.74Å; K46-F212 HydrophobicContact CG-CD1 4.48Å; K46-F212 HydrophobicContact CG-CE1 3.84Å; K46-F212 HydrophobicContact CG-CE2 4.14Å; K46-F212 HydrophobicContact CG-CZ 3.62Å; I47-F212 HydrophobicContact CG1-CZ 3.91Å; Q50-F212 HydrophobicContact CG-CD1 3.89Å; Q50-F212 HydrophobicContact CG-CE1 3.6Å; F212-I214 HydrophobicContact CD2-CG1 3.96Å; F212-I214 HydrophobicContact CE2-CD1 3.92Å; F212-I214 HydrophobicContact CE2-CG1 3.45Å; F212-I214 VanDerWaalsContact CE2-CG1 3.45Å; F212-I214 HydrophobicContact CZ-CD1 4.37Å; F212-I214 HydrophobicContact CZ-CG1 4.35Å; F212-V229 HydrophobicContact CD1-CB 4.15Å; F212-V229 HydrophobicContact CD1-CG2 4.26Å; F212-V229 HydrophobicContact CD2-CG2 4.36Å; F212-V229 HydrophobicContact CE1-CB 3.98Å; F212-V229 HydrophobicContact CE1-CG1 4.1Å; F212-V229 HydrophobicContact CE1-CG2 3.82Å; F212-V229 HydrophobicContact CE2-CG2 3.97Å; F212-V229 HydrophobicContact CZ-CB 4.36Å; F212-V229 HydrophobicContact CZ-CG2 3.68Å; F212-V229 PolarHBondContact O-N 3.47Å
213V98.3Very high96Very high54 Ų5452.6 Ų52.633%0.32726%0.258SS..EExtended strand (participates in β ladder)trans-111.6137174.31770000109K180 K210 D226 V227K180-V213 HydrophobicContact CD-CG1 4.29Å; K210-V213 HydrophobicContact CD-CG2 4.48Å; V213-D226 HydrophobicContact CG1-CB 3.72Å; V213-V227 CarbonylContact C-O 3.55Å; V213-V227 WeakPolarHBondContact CA-O 3.41Å
214I97.8Very high95.7Very high1 Ų160.7 Ų60.71%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-102.4123.7173.3-57.8171000107.5L38 L43 I47 F212 G216 A218 F219 V227 V229L38-I214 HydrophobicContact CD1-CG2 4.45Å; L38-I214 HydrophobicContact CD2-CD1 4.12Å; L43-I214 HydrophobicContact CD1-CG2 4.02Å; I47-I214 HydrophobicContact CD1-CD1 3.97Å; I47-I214 HydrophobicContact CG1-CD1 4.3Å; F212-I214 HydrophobicContact CD2-CG1 3.96Å; F212-I214 HydrophobicContact CE2-CD1 3.92Å; F212-I214 HydrophobicContact CE2-CG1 3.45Å; F212-I214 VanDerWaalsContact CE2-CG1 3.45Å; F212-I214 HydrophobicContact CZ-CD1 4.37Å; F212-I214 HydrophobicContact CZ-CG1 4.35Å; I214-G216 PolarHBondContact O-N 2.97Å; I214-A218 HydrophobicContact CG2-CB 3.71Å; I214-F219 HydrophobicContact CB-CE2 3.92Å; I214-F219 HydrophobicContact CB-CZ 4.19Å; I214-F219 HydrophobicContact CD1-CZ 4.18Å; I214-F219 HydrophobicContact CG2-CD2 4.32Å; I214-F219 HydrophobicContact CG2-CE2 3.43Å; I214-F219 VanDerWaalsContact CG2-CE2 3.43Å; I214-F219 HydrophobicContact CG2-CZ 3.9Å; I214-V227 HydrophobicContact CB-CB 4.41Å; I214-V227 PolarHBondContact N-O 2.84Å; I214-V227 PolarHBondContact O-N 3.16Å; I214-V229 HydrophobicContact CD1-CG2 3.79Å; I214-V229 HydrophobicContact CG1-CG2 4.18Å
215P97.6Very high95.5Very high47 Ų4763.3 Ų63.331%0.30531%0.311SS..  trans-58.2136.6174.4-24.534.7000111.3R217 A218 D226P215-R217 HydrophobicContact CB-CG 3.87Å; P215-R217 PolarHBondContact O-N 3.14Å; P215-A218 VanDerWaalsContact O-CB 3.3Å; P215-A218 WeakPolarHBondContact O-CB 3.35Å; P215-A218 PolarHBondContact O-N 3.21Å; P215-D226 WeakPolarHBondContact CA-OD1 3.24Å
216G95.1Very high95.5Very high2 Ų266 Ų662%0.02133%0.326CS..G310 helixtrans-54.7-31.6-179.600000113.3I214 A218 F219 P223 D226I214-G216 PolarHBondContact O-N 2.97Å; G216-A218 PolarHBondContact O-N 2.88Å; G216-F219 PolarHBondContact O-N 3.2Å; G216-F219 VanDerWaalsContact O-N 3.08Å; G216-P223 WeakPolarHBondContact O-CD 3.4Å; G216-D226 PolarHBondContact N-OD1 2.96Å
217R95.1Very high95.4Very high199 Ų19965.9 Ų65.975%0.75133%0.325SS*.G310 helixtrans-59.6-14.5175.865.8172.1179.9-104.31.9115.3P215 F219 K222P215-R217 HydrophobicContact CB-CG 3.87Å; P215-R217 PolarHBondContact O-N 3.14Å; R217-F219 VanDerWaalsContact C-N 3.28Å; R217-K222 HydrophobicContact CB-CD 4.41Å
218A94Very high95.4Very high30 Ų3063 Ų6325%0.24831%0.307CS..G310 helixtrans-80.2-9.9177.600000113.5L38 L43 I214 P215 G216L38-A218 HydrophobicContact CD1-CB 4.26Å; L43-A218 HydrophobicContact CD1-CB 3.54Å; I214-A218 HydrophobicContact CG2-CB 3.71Å; P215-A218 VanDerWaalsContact O-CB 3.3Å; P215-A218 WeakPolarHBondContact O-CB 3.35Å; P215-A218 PolarHBondContact O-N 3.21Å; G216-A218 PolarHBondContact O-N 2.88Å
219F92.8Very high95.4Very high5 Ų562 Ų622%0.02230%0.301CS..EExtended strand (participates in β ladder)trans-103.2156-178.9-62.4-95.9000111.8N36 F37 L38 I214 G216 R217 P221 K222 P223 V227N36-F219 HydrophobicContact CB-CB 4.11Å; N36-F219 HydrophobicContact CB-CD1 4.08Å; N36-F219 HydrophobicContact CB-CG 4.34Å; F37-F219 CarbonylContact O-C 3.55Å; F37-F219 VanDerWaalsContact O-CA 3.27Å; F37-F219 WeakPolarHBondContact O-CA 3.38Å; L38-F219 HydrophobicContact CB-CD1 4.05Å; L38-F219 HydrophobicContact CB-CE1 3.9Å; L38-F219 HydrophobicContact CD1-CD1 4.11Å; L38-F219 HydrophobicContact CD1-CE1 3.93Å; L38-F219 HydrophobicContact CD1-CE2 4.47Å; L38-F219 HydrophobicContact CD1-CG 4.47Å; L38-F219 HydrophobicContact CD1-CZ 4.11Å; L38-F219 HydrophobicContact CD2-CE1 4.38Å; L38-F219 HydrophobicContact CG-CE1 4.3Å; I214-F219 HydrophobicContact CB-CE2 3.92Å; I214-F219 HydrophobicContact CB-CZ 4.19Å; I214-F219 HydrophobicContact CD1-CZ 4.18Å; I214-F219 HydrophobicContact CG2-CD2 4.32Å; I214-F219 HydrophobicContact CG2-CE2 3.43Å; I214-F219 VanDerWaalsContact CG2-CE2 3.43Å; I214-F219 HydrophobicContact CG2-CZ 3.9Å; G216-F219 PolarHBondContact O-N 3.2Å; G216-F219 VanDerWaalsContact O-N 3.08Å; R217-F219 VanDerWaalsContact C-N 3.28Å; F219-P221 CarbonylContact C-O 3.29Å; F219-P221 CarbonylContact O-C 3.54Å; F219-K222 WeakPolarHBondContact O-CA 3.49Å; F219-K222 PolarHBondContact O-N 2.97Å; F219-P223 HydrophobicContact CB-CG 4.36Å; F219-P223 HydrophobicContact CD2-CG 4.24Å; F219-P223 HydrophobicContact CG-CG 4.45Å; F219-V227 HydrophobicContact CD2-CG2 4.09Å; F219-V227 HydrophobicContact CE1-CG2 4.41Å; F219-V227 HydrophobicContact CE2-CB 3.7Å; F219-V227 HydrophobicContact CE2-CG1 4.4Å; F219-V227 HydrophobicContact CE2-CG2 3.38Å; F219-V227 HydrophobicContact CZ-CB 3.69Å; F219-V227 HydrophobicContact CZ-CG1 3.88Å; F219-V227 HydrophobicContact CZ-CG2 3.59Å
220V89.1Confident95.4Very high81 Ų8156.4 Ų56.449%0.49128%0.277SS..EExtended strand (participates in β ladder)trans-128.7118.1175.9-175.80000109.5F37 L39F37-V220 WeakPolarHBondContact CB-O 3.39Å; F37-V220 WeakPolarHBondContact CD2-O 3.47Å; F37-V220 WeakPolarHBondContact CG-O 3.11Å; F37-V220 PolarHBondContact N-O 3.39Å; F37-V220 PolarHBondContact O-N 2.55Å; L39-V220 HydrophobicContact CD1-CB 4.31Å; L39-V220 HydrophobicContact CD1-CG2 4.21Å
221P88.8Confident95.4Very high61 Ų6152.9 Ų52.940%0.39626%0.262SS..SBendcis-60.8161.1-12.528.8-36.3000111.9A29 Q35 N36 F219 P223A29-P221 HydrophobicContact CB-CG 3.84Å; Q35-P221 WeakPolarHBondContact O-CD 3.47Å; N36-P221 PolarHBondContact OD1-O 3.4Å; N36-P221 VanDerWaalsContact OD1-O 3.13Å; F219-P221 CarbonylContact C-O 3.29Å; F219-P221 CarbonylContact O-C 3.54Å; P221-P223 VanDerWaalsContact O-CD 3.32Å; P221-P223 WeakPolarHBondContact O-CD 3.48Å
222K90.9Very high95.4Very high155 Ų15548 Ų4867%0.67424%0.243SC*.PPolyproline II helixtrans-70.3120.3176.4172.7-179.9175-165.50109.3R217 F219R217-K222 HydrophobicContact CB-CD 4.41Å; F219-K222 WeakPolarHBondContact O-CA 3.49Å; F219-K222 PolarHBondContact O-N 2.97Å
223P91.4Very high95.4Very high10 Ų1048.8 Ų48.87%0.06525%0.25CS..PPolyproline II helixtrans-68.7159.7169.429-35.8000111.4F146 G216 F219 P221 V225 V227F146-P223 HydrophobicContact CE2-CB 3.92Å; F146-P223 HydrophobicContact CZ-CB 4.26Å; G216-P223 WeakPolarHBondContact O-CD 3.4Å; F219-P223 HydrophobicContact CB-CG 4.36Å; F219-P223 HydrophobicContact CD2-CG 4.24Å; F219-P223 HydrophobicContact CG-CG 4.45Å; P221-P223 VanDerWaalsContact O-CD 3.32Å; P221-P223 WeakPolarHBondContact O-CD 3.48Å; P223-V225 WeakPolarHBondContact CG-O 3.49Å; P223-V225 PolarHBondContact O-N 2.95Å; P223-V227 HydrophobicContact CG-CG2 4.41Å
224E92.4Very high95.4Very high201 Ų20146.2 Ų46.294%0.93924%0.235SC*.SBendtrans-68.5-20.5177.2-62.6-179.7170.700113.3
225V95.1Very high95.4Very high56 Ų5647.9 Ų47.934%0.33924%0.243SC..SBendtrans-126.8155.1-175.5-61.70000111.1F146 Q179 P223F146-V225 HydrophobicContact CE2-CG2 4.15Å; Q179-V225 HydrophobicContact CB-CG2 3.99Å; Q179-V225 HydrophobicContact CG-CG2 3.77Å; P223-V225 WeakPolarHBondContact CG-O 3.49Å; P223-V225 PolarHBondContact O-N 2.95Å
226D97.5Very high95.4Very high61 Ų6148.2 Ų48.233%0.32625%0.245SC..  trans-67.2162.5169.1-67.3-27.3000111.6K180 V213 P215 G216K180-D226 HydrophobicContact CB-CB 4.08Å; K180-D226 VanDerWaalsContact CB-O 3.3Å; K180-D226 WeakPolarHBondContact CB-O 3.33Å; K180-D226 HydrophobicContact CD-CB 3.97Å; K180-D226 PolarHBondContact N-O 3.44Å; V213-D226 HydrophobicContact CG1-CB 3.72Å; P215-D226 WeakPolarHBondContact CA-OD1 3.24Å; G216-D226 PolarHBondContact N-OD1 2.96Å
227V97.7Very high95.5Very high0 Ų054.7 Ų54.70%027%0.272CS..EExtended strand (participates in β ladder)trans-116.7124.6-174.5-177.80000110.2F146 T177 F178 V213 I214 F219 P223F146-V227 HydrophobicContact CE1-CG1 4.44Å; F146-V227 HydrophobicContact CE1-CG2 4.02Å; F146-V227 HydrophobicContact CZ-CG2 3.68Å; T177-V227 HydrophobicContact CG2-CG1 4.24Å; F178-V227 CarbonylContact O-C 3.49Å; F178-V227 WeakPolarHBondContact O-CA 3.36Å; F178-V227 WeakPolarHBondContact O-CG1 3.29Å; V213-V227 CarbonylContact C-O 3.55Å; V213-V227 WeakPolarHBondContact CA-O 3.41Å; I214-V227 HydrophobicContact CB-CB 4.41Å; I214-V227 PolarHBondContact N-O 2.84Å; I214-V227 PolarHBondContact O-N 3.16Å; F219-V227 HydrophobicContact CD2-CG2 4.09Å; F219-V227 HydrophobicContact CE1-CG2 4.41Å; F219-V227 HydrophobicContact CE2-CB 3.7Å; F219-V227 HydrophobicContact CE2-CG1 4.4Å; F219-V227 HydrophobicContact CE2-CG2 3.38Å; F219-V227 HydrophobicContact CZ-CB 3.69Å; F219-V227 HydrophobicContact CZ-CG1 3.88Å; F219-V227 HydrophobicContact CZ-CG2 3.59Å; P223-V227 HydrophobicContact CG-CG2 4.41Å
228G98Very high95.6Very high0 Ų046.9 Ų46.90%025%0.247CC..EExtended strand (participates in β ladder)trans-93.1133.4174.500000111.7T177 F178T177-G228 WeakPolarHBondContact CA-O 3.42Å; F178-G228 PolarHBondContact N-O 3.24Å; F178-G228 PolarHBondContact O-N 3.35Å
229V98.4Very high95.8Very high0 Ų048.8 Ų48.80%025%0.251CS..EExtended strand (participates in β ladder)trans-92.6122170.8-176.10000108.8I47 T175 T177 R211 F212 I214I47-V229 HydrophobicContact CG1-CG2 4.11Å; T175-V229 HydrophobicContact CG2-CG1 4.06Å; T177-V229 HydrophobicContact CG2-CG2 4.34Å; R211-V229 HydrophobicContact CB-CG1 4.44Å; R211-V229 PolarHBondContact N-O 3.13Å; F212-V229 HydrophobicContact CD1-CB 4.15Å; F212-V229 HydrophobicContact CD1-CG2 4.26Å; F212-V229 HydrophobicContact CD2-CG2 4.36Å; F212-V229 HydrophobicContact CE1-CB 3.98Å; F212-V229 HydrophobicContact CE1-CG1 4.1Å; F212-V229 HydrophobicContact CE1-CG2 3.82Å; F212-V229 HydrophobicContact CE2-CG2 3.97Å; F212-V229 HydrophobicContact CZ-CB 4.36Å; F212-V229 HydrophobicContact CZ-CG2 3.68Å; F212-V229 PolarHBondContact O-N 3.47Å; I214-V229 HydrophobicContact CD1-CG2 3.79Å; I214-V229 HydrophobicContact CG1-CG2 4.18Å
230V98.7Very high96.1Very high0 Ų048.6 Ų48.60%025%0.25CS..EExtended strand (participates in β ladder)trans-122131.6-176.6-171.80000110T175 L176 F178 A183 L186 T187 V208 K209 F232T175-V230 WeakPolarHBondContact CA-O 3.41Å; L176-V230 PolarHBondContact N-O 2.84Å; L176-V230 PolarHBondContact O-N 2.97Å; F178-V230 HydrophobicContact CD2-CB 4.11Å; F178-V230 HydrophobicContact CD2-CG2 3.84Å; F178-V230 HydrophobicContact CE2-CB 4.07Å; F178-V230 HydrophobicContact CE2-CG2 4.28Å; A183-V230 HydrophobicContact CB-CG2 3.49Å; A183-V230 VanDerWaalsContact CB-CG2 3.49Å; L186-V230 HydrophobicContact CD1-CG2 4.42Å; T187-V230 HydrophobicContact CG2-CG1 4.31Å; V208-V230 HydrophobicContact CG1-CG1 3.48Å; V208-V230 VanDerWaalsContact CG1-CG1 3.48Å; K209-V230 WeakPolarHBondContact O-CA 3.5Å; V230-F232 HydrophobicContact CB-CE2 3.77Å; V230-F232 HydrophobicContact CB-CZ 4.16Å; V230-F232 HydrophobicContact CG1-CD2 4.1Å; V230-F232 HydrophobicContact CG1-CE1 4.27Å; V230-F232 HydrophobicContact CG1-CE2 3.44Å; V230-F232 VanDerWaalsContact CG1-CE2 3.44Å; V230-F232 HydrophobicContact CG1-CZ 3.55Å
231H98.7Very high96.5Very high19 Ų1951 Ų519%0.08826%0.256CS..EExtended strand (participates in β ladder)trans-107134.7175-172.881.1000110.3L174 T175 K209 R211 T233L174-H231 CarbonylContact O-C 3.48Å; L174-H231 VanDerWaalsContact O-CA 3.3Å; L174-H231 WeakPolarHBondContact O-CA 3.16Å; L174-H231 PolarHBondContact O-ND1 3.01Å; T175-H231 PolarHBondContact OG1-ND1 3.33Å; K209-H231 PolarHBondContact N-O 2.95Å; K209-H231 PolarHBondContact O-N 3.32Å; R211-H231 HydrophobicContact CG-CB 3.85Å; H231-T233 PolarHBondContact NE2-OG1 2.88Å
232F98.6Very high97Very high0 Ų050.5 Ų50.50%025%0.249CC..EExtended strand (participates in β ladder)trans-121.8132.5179.4-55.7-107.1000109.7I153 L174 L176 F178 L186 A202 C206 T207 V208 V230I153-F232 HydrophobicContact CD1-CD1 4.24Å; I153-F232 HydrophobicContact CD1-CD2 4.49Å; I153-F232 HydrophobicContact CD1-CE1 3.94Å; I153-F232 HydrophobicContact CD1-CE2 4.21Å; I153-F232 HydrophobicContact CD1-CZ 3.92Å; I153-F232 HydrophobicContact CG1-CE1 4.09Å; I153-F232 HydrophobicContact CG1-CZ 3.98Å; L174-F232 HydrophobicContact CB-CB 4Å; L174-F232 HydrophobicContact CB-CD2 3.99Å; L174-F232 HydrophobicContact CB-CG 4.35Å; L174-F232 HydrophobicContact CD1-CB 4.19Å; L174-F232 HydrophobicContact CD1-CG 4.38Å; L174-F232 HydrophobicContact CG-CB 4.21Å; L174-F232 PolarHBondContact N-O 2.89Å; L174-F232 PolarHBondContact O-N 2.78Å; L176-F232 HydrophobicContact CD1-CE2 4.43Å; F178-F232 AromaticContact CE2-CE2 3.82Å; F178-F232 HydrophobicContact CE2-CE2 3.82Å; F178-F232 AromaticContact CE2-CZ 3.95Å; F178-F232 HydrophobicContact CE2-CZ 3.95Å; F178-F232 HydrophobicContact CZ-CE2 4.21Å; F178-F232 HydrophobicContact CZ-CZ 4.14Å; L186-F232 HydrophobicContact CD1-CZ 3.97Å; L186-F232 HydrophobicContact CD2-CE1 3.94Å; L186-F232 HydrophobicContact CD2-CZ 4Å; L186-F232 HydrophobicContact CG-CZ 4.48Å; A202-F232 HydrophobicContact CB-CE1 4.27Å; C206-F232 HydrophobicContact CB-CB 4.41Å; C206-F232 HydrophobicContact CB-CD1 4.35Å; T207-F232 WeakPolarHBondContact O-CA 3.25Å; V208-F232 HydrophobicContact CB-CD1 4.37Å; V208-F232 HydrophobicContact CB-CE1 4.49Å; V208-F232 HydrophobicContact CG1-CD1 3.83Å; V208-F232 HydrophobicContact CG1-CE1 3.58Å; V208-F232 HydrophobicContact CG1-CZ 4.09Å; V208-F232 HydrophobicContact CG2-CD1 3.84Å; V208-F232 HydrophobicContact CG2-CE1 4.09Å; V230-F232 HydrophobicContact CB-CE2 3.77Å; V230-F232 HydrophobicContact CB-CZ 4.16Å; V230-F232 HydrophobicContact CG1-CD2 4.1Å; V230-F232 HydrophobicContact CG1-CE1 4.27Å; V230-F232 HydrophobicContact CG1-CE2 3.44Å; V230-F232 VanDerWaalsContact CG1-CE2 3.44Å; V230-F232 HydrophobicContact CG1-CZ 3.55Å
233T97.6Very high97.3Very high42 Ų4247 Ų4726%0.25824%0.241SC..EExtended strand (participates in β ladder)trans-123.3112.2170.4-48.10000108R173 C206 T207 H231 L235R173-T233 HydrophobicContact CG-CG2 4.44Å; C206-T233 CarbonylContact C-O 3.38Å; C206-T233 VanDerWaalsContact CA-O 3.29Å; C206-T233 WeakPolarHBondContact CA-O 3.4Å; T207-T233 PolarHBondContact N-O 2.83Å; T207-T233 PolarHBondContact O-N 3.41Å; H231-T233 PolarHBondContact NE2-OG1 2.88Å; T233-L235 PolarHBondContact O-N 3.48Å
234P98.4Very high97.6Very high1 Ų146.7 Ų46.71%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-55.1138.2175.6-25.434.4000111.5W129 I160 F167 R171 A172W129-P234 HydrophobicContact CH2-CB 3.94Å; W129-P234 HydrophobicContact CZ2-CB 4.05Å; I160-P234 HydrophobicContact CD1-CG 4.04Å; I160-P234 HydrophobicContact CG1-CG 4.23Å; I160-P234 HydrophobicContact CG2-CB 4.12Å; F167-P234 HydrophobicContact CD1-CG 4.24Å; F167-P234 HydrophobicContact CE1-CG 4.05Å; R171-P234 HydrophobicContact CB-CB 4.01Å; R171-P234 HydrophobicContact CB-CG 4.31Å; R171-P234 WeakPolarHBondContact CD-O 3.32Å; R171-P234 HydrophobicContact CG-CB 4.09Å; R171-P234 PolarHBondContact NH1-O 2.8Å; A172-P234 WeakPolarHBondContact O-CD 3.37Å; A172-P234 WeakPolarHBondContact O-CG 3.27Å
235L98.1Very high97.9Very high35 Ų3541.7 Ų41.718%0.18321%0.214CC..  trans-75.5147.7177.1-63173.6000110.2W129 L205 T207 T233 K237 Q239W129-L235 PolarHBondContact NE1-O 3.07Å; L205-L235 WeakPolarHBondContact O-CB 3.47Å; L205-L235 WeakPolarHBondContact O-CG 3.3Å; L205-L235 PolarHBondContact O-N 3.44Å; T207-L235 WeakPolarHBondContact OG1-CD2 3.46Å; T233-L235 PolarHBondContact O-N 3.48Å; L235-K237 WeakPolarHBondContact CB-O 3.47Å; L235-Q239 HydrophobicContact CD1-CG 3.89Å
236V96.8Very high98.1Very high54 Ų5439.6 Ų39.633%0.32720%0.201SC..SBendtrans-61.8-54.8170.7173.70000109.6W129 V132W129-V236 PolarHBondContact NE1-O 2.98Å; V132-V236 HydrophobicContact CG2-CG2 3.81Å
237K97.1Very high98.1Very high139 Ų13936.7 Ų36.760%0.60419%0.186SC*.SBendtrans-109.1118.3173.5-172.7173.7-177.5175.20108.8L235L235-K237 WeakPolarHBondContact CB-O 3.47Å
238P97.8Very high98.2Very high35 Ų3538.3 Ų38.323%0.22719%0.193CC..  trans-64148.9173.630.1-35.2000109.7Y204 L205 I240 Q241Y204-P238 HydrophobicContact CD2-CB 4.4Å; Y204-P238 CarbonylContact O-C 3.37Å; Y204-P238 WeakPolarHBondContact O-CA 3.35Å; L205-P238 HydrophobicContact CD2-CB 3.96Å; P238-I240 PolarHBondContact O-N 3.34Å; P238-Q241 HydrophobicContact CG-CG 4.22Å
239Q98.4Very high98.2Very high69 Ų6939.1 Ų39.132%0.32220%0.197SC..SBendtrans-73.6-10.7-179.2-58.4-171.549.800112.9Q203 Y204 L235 I299 R303Q203-Q239 PolarHBondContact O-NE2 3.38Å; Y204-Q239 PolarHBondContact O-N 3.35Å; L235-Q239 HydrophobicContact CD1-CG 3.89Å; Q239-I299 HydrophobicContact CB-CG2 3.51Å; Q239-I299 HydrophobicContact CG-CG2 4.33Å; Q239-R303 VanDerWaalsContact O-CZ 3.3Å; Q239-R303 PolarHBondContact O-NE 2.84Å; Q239-R303 PolarHBondContact O-NH2 3.15Å
240I98.6Very high98.2Very high2 Ų239.1 Ų39.11%0.0120%0.197CC..  trans-135.8128.3174-52.6172000106.5Y204 P238 Q242 V247 I299 I302 R303Y204-I240 HydrophobicContact CD2-CB 3.69Å; Y204-I240 HydrophobicContact CD2-CD1 4.22Å; Y204-I240 HydrophobicContact CD2-CG1 4.06Å; Y204-I240 HydrophobicContact CE2-CB 4.15Å; Y204-I240 HydrophobicContact CG-CB 4.32Å; Y204-I240 HydrophobicContact CG-CD1 3.98Å; Y204-I240 HydrophobicContact CG-CG1 4.2Å; P238-I240 PolarHBondContact O-N 3.34Å; I240-Q242 HydrophobicContact CG2-CB 4.17Å; I240-Q242 HydrophobicContact CG2-CG 4.24Å; I240-V247 HydrophobicContact CD1-CG1 3.94Å; I240-V247 HydrophobicContact CG2-CG2 3.73Å; I240-I299 HydrophobicContact CD1-CG2 4.25Å; I240-I299 HydrophobicContact CG1-CG2 4.1Å; I240-I302 HydrophobicContact CD1-CB 4.21Å; I240-I302 HydrophobicContact CD1-CG2 3.72Å; I240-R303 HydrophobicContact CG1-CB 3.92Å; I240-R303 HydrophobicContact CG1-CG 4.31Å; I240-R303 HydrophobicContact CG2-CG 4.3Å
241Q97.3Very high98.1Very high131 Ų13139.1 Ų39.161%0.61220%0.197SC*.  trans-111.754.4-175.6-65.2175.211400110.1P238P238-Q241 HydrophobicContact CG-CG 4.22Å
242Q98.4Very high98.1Very high51 Ų5143.6 Ų43.624%0.23821%0.213CC..SBendtrans-124.7157.4176.6-68.8-63.6-16.600109.4I240 F244 L246 V247 D307I240-Q242 HydrophobicContact CG2-CB 4.17Å; I240-Q242 HydrophobicContact CG2-CG 4.24Å; Q242-F244 PolarHBondContact O-N 3.19Å; Q242-L246 HydrophobicContact CB-CD2 4.25Å; Q242-V247 HydrophobicContact CB-CG2 3.77Å; Q242-D307 VanDerWaalsContact CG-OD1 3.27Å; Q242-D307 WeakPolarHBondContact CG-OD1 3.46Å; Q242-D307 PolarHBondContact NE2-OD1 2.85Å
243P98.3Very high98.1Very high80 Ų8043.8 Ų43.852%0.51921%0.214SC..  trans-53.2139.4177.6-26.635000112.2K245 L246 V247P243-K245 VanDerWaalsContact C-N 3.29Å; P243-K245 PolarHBondContact O-N 3.47Å; P243-L246 HydrophobicContact CB-CB 4.33Å; P243-L246 WeakPolarHBondContact O-CB 3.35Å; P243-L246 PolarHBondContact O-N 2.95Å; P243-V247 PolarHBondContact O-N 3.22Å; P243-V247 VanDerWaalsContact O-N 3.15Å
244F98.4Very high98Very high5 Ų541.9 Ų41.92%0.02220%0.202CC..Hα-helixtrans-52.7-45.9-174.1179.1-91000112.7I154 L157 E158 A161 M201 Y204 L205 Q242 L246 V247 E248I154-F244 HydrophobicContact CG2-CZ 4.44Å; L157-F244 HydrophobicContact CB-CE2 3.9Å; L157-F244 HydrophobicContact CB-CZ 4.42Å; E158-F244 HydrophobicContact CB-CD1 3.73Å; E158-F244 HydrophobicContact CB-CD2 4.1Å; E158-F244 HydrophobicContact CB-CE1 3.75Å; E158-F244 HydrophobicContact CB-CE2 4.1Å; E158-F244 HydrophobicContact CB-CG 3.93Å; E158-F244 HydrophobicContact CB-CZ 3.93Å; E158-F244 HydrophobicContact CG-CB 4.32Å; E158-F244 HydrophobicContact CG-CD1 3.7Å; E158-F244 HydrophobicContact CG-CE1 4.16Å; E158-F244 HydrophobicContact CG-CG 3.96Å; A161-F244 HydrophobicContact CB-CB 3.94Å; A161-F244 HydrophobicContact CB-CD2 3.99Å; A161-F244 HydrophobicContact CB-CG 4.41Å; M201-F244 HydrophobicContact CE-CD2 3.9Å; M201-F244 HydrophobicContact CE-CE1 4.13Å; M201-F244 HydrophobicContact CE-CE2 3.36Å; M201-F244 HydrophobicContact CE-CG 4.48Å; M201-F244 HydrophobicContact CE-CZ 3.5Å; M201-F244 VanDerWaalsContact CE-CZ 3.5Å; Y204-F244 WeakPolarHBondContact OH-CD2 3.46Å; L205-F244 HydrophobicContact CD1-CD2 4.28Å; L205-F244 HydrophobicContact CD1-CE2 4.27Å; Q242-F244 PolarHBondContact O-N 3.19Å; F244-L246 VanDerWaalsContact C-N 3.3Å; F244-L246 PolarHBondContact O-N 2.87Å; F244-V247 PolarHBondContact O-N 3.13Å; F244-E248 HydrophobicContact CE1-CB 4.36Å; F244-E248 WeakPolarHBondContact O-CB 3.36Å; F244-E248 PolarHBondContact O-N 2.74Å
245K98.1Very high97.9Very high95 Ų9542.6 Ų42.641%0.41321%0.205SC..Hα-helixtrans-64.4-31.7179.8-66-56.9-167.3-143.10113.2E158 P243 E248 K249 F320E158-K245 WeakPolarHBondContact OE1-CE 3.38Å; E158-K245 IonicContact OE1-NZ 3.23Å; E158-K245 PolarHBondContact OE1-NZ 2.82Å; E158-K245 IonicContact OE2-NZ 3.79Å; E158-K245 PolarHBondContact OE2-NZ 3.25Å; P243-K245 VanDerWaalsContact C-N 3.29Å; P243-K245 PolarHBondContact O-N 3.47Å; K245-E248 IonicContact NZ-OE2 3.73Å; K245-K249 WeakPolarHBondContact O-CB 2.94Å; K245-K249 PolarHBondContact O-N 2.67Å; K245-F320 HydrophobicContact CB-CZ 3.97Å
246L98.6Very high97.8Very high13 Ų1344 Ų447%0.06821%0.211CC..Hα-helixtrans-68-51.4175.3-171.7156.4000110.6Q242 P243 F244 E248 K249 V250 S306 Y309 A310 F320Q242-L246 HydrophobicContact CB-CD2 4.25Å; P243-L246 HydrophobicContact CB-CB 4.33Å; P243-L246 WeakPolarHBondContact O-CB 3.35Å; P243-L246 PolarHBondContact O-N 2.95Å; F244-L246 VanDerWaalsContact C-N 3.3Å; F244-L246 PolarHBondContact O-N 2.87Å; L246-E248 VanDerWaalsContact C-N 3.29Å; L246-E248 PolarHBondContact O-N 2.86Å; L246-K249 PolarHBondContact O-N 3.08Å; L246-K249 VanDerWaalsContact O-N 3.16Å; L246-V250 HydrophobicContact CD2-CG2 4.18Å; L246-V250 WeakPolarHBondContact O-CG2 3.24Å; L246-V250 PolarHBondContact O-N 3.24Å; L246-S306 WeakPolarHBondContact CD2-O 3.48Å; L246-Y309 HydrophobicContact CD1-CD1 4.45Å; L246-Y309 HydrophobicContact CD2-CD1 4.03Å; L246-Y309 HydrophobicContact CG-CD1 3.97Å; L246-Y309 HydrophobicContact CG-CE1 4.4Å; L246-A310 HydrophobicContact CD1-CB 3.67Å; L246-F320 HydrophobicContact CB-CE2 4.15Å
247V98.7Very high97.6Very high0 Ų045 Ų450%021%0.211CC..Hα-helixtrans-59.2-44.3176.5-176.40000110.3M201 Y204 I240 Q242 P243 F244 K249 V250 V251M201-V247 HydrophobicContact SD-CG1 4.1Å; Y204-V247 HydrophobicContact CD1-CG1 4.43Å; Y204-V247 HydrophobicContact CE1-CG1 4.03Å; I240-V247 HydrophobicContact CD1-CG1 3.94Å; I240-V247 HydrophobicContact CG2-CG2 3.73Å; Q242-V247 HydrophobicContact CB-CG2 3.77Å; P243-V247 PolarHBondContact O-N 3.22Å; P243-V247 VanDerWaalsContact O-N 3.15Å; F244-V247 PolarHBondContact O-N 3.13Å; V247-K249 VanDerWaalsContact C-N 3.34Å; V247-K249 PolarHBondContact O-N 3.35Å; V247-V250 PolarHBondContact O-N 3.35Å; V247-V251 HydrophobicContact CG1-CG2 4.05Å; V247-V251 WeakPolarHBondContact O-CB 3.22Å; V247-V251 WeakPolarHBondContact O-CG2 3.39Å; V247-V251 PolarHBondContact O-N 3.15Å
248E98.4Very high97.3Very high34 Ų3443 Ų4316%0.15920%0.199CC..Hα-helixtrans-59-44.1176.9-175.3171.5-139.500111.9R197 M201 F244 K245 L246 R252R197-E248 IonicContact NH1-OE1 2.8Å; R197-E248 PolarHBondContact NH1-OE1 3.02Å; M201-E248 HydrophobicContact CE-CB 3.75Å; M201-E248 HydrophobicContact CE-CG 4.37Å; M201-E248 HydrophobicContact SD-CB 4.37Å; F244-E248 HydrophobicContact CE1-CB 4.36Å; F244-E248 WeakPolarHBondContact O-CB 3.36Å; F244-E248 PolarHBondContact O-N 2.74Å; K245-E248 IonicContact NZ-OE2 3.73Å; L246-E248 VanDerWaalsContact C-N 3.29Å; L246-E248 PolarHBondContact O-N 2.86Å; E248-R252 WeakPolarHBondContact O-CB 3.27Å; E248-R252 PolarHBondContact O-N 3.43Å
249K98.3Very high97.1Very high16 Ų1651.8 Ų51.87%0.0723%0.228CC..Hα-helixtrans-62.7-47.1178.4-173.1176.8-177.91790111.4K245 L246 V247 N253 L269 Y309 L319 F320 Y322K245-K249 WeakPolarHBondContact O-CB 2.94Å; K245-K249 PolarHBondContact O-N 2.67Å; L246-K249 PolarHBondContact O-N 3.08Å; L246-K249 VanDerWaalsContact O-N 3.16Å; V247-K249 VanDerWaalsContact C-N 3.34Å; V247-K249 PolarHBondContact O-N 3.35Å; K249-N253 PolarHBondContact O-N 2.88Å; K249-N253 PolarHBondContact O-ND2 2.96Å; K249-L269 HydrophobicContact CD-CD2 4.31Å; K249-L269 HydrophobicContact CG-CD2 3.87Å; K249-Y309 HydrophobicContact CD-CE1 4.23Å; K249-Y309 WeakPolarHBondContact CE-OH 3.27Å; K249-Y309 PolarHBondContact NZ-OH 3.34Å; K249-Y309 VanDerWaalsContact NZ-OH 3.16Å; K249-L319 PolarHBondContact NZ-O 2.7Å; K249-F320 HydrophobicContact CD-CD2 4.27Å; K249-F320 HydrophobicContact CD-CE2 4.31Å; K249-F320 PolarHBondContact NZ-O 3.48Å; K249-Y322 WeakPolarHBondContact CE-O 3.47Å; K249-Y322 PolarHBondContact NZ-O 3.41Å
250V98.5Very high97Very high0 Ų054.7 Ų54.70%024%0.239CC..Hα-helixtrans-62-53.6178.2172.70000110.4L246 V247 R252 N253 V254 L269 M282 L305 Y309L246-V250 HydrophobicContact CD2-CG2 4.18Å; L246-V250 WeakPolarHBondContact O-CG2 3.24Å; L246-V250 PolarHBondContact O-N 3.24Å; V247-V250 PolarHBondContact O-N 3.35Å; V250-R252 VanDerWaalsContact C-N 3.32Å; V250-R252 PolarHBondContact O-N 2.89Å; V250-N253 PolarHBondContact O-N 3.34Å; V250-V254 HydrophobicContact CG1-CG2 4.29Å; V250-V254 WeakPolarHBondContact O-CG2 2.93Å; V250-V254 PolarHBondContact O-N 3.31Å; V250-L269 HydrophobicContact CG2-CD1 4.29Å; V250-M282 HydrophobicContact CG1-CE 4.44Å; V250-L305 HydrophobicContact CG1-CB 4.21Å; V250-Y309 HydrophobicContact CG2-CD1 3.47Å; V250-Y309 VanDerWaalsContact CG2-CD1 3.47Å; V250-Y309 HydrophobicContact CG2-CE1 4.21Å; V250-Y309 HydrophobicContact CG2-CG 3.88Å
251V98.1Very high97Very high0 Ų058.2 Ų58.20%026%0.256CS..Hα-helixtrans-62.5-39-178179.10000111.3R197 I200 M201 V247 N253 V254 F255 I302R197-V251 HydrophobicContact CB-CG1 4Å; R197-V251 HydrophobicContact CG-CG1 3.74Å; I200-V251 HydrophobicContact CB-CG1 3.95Å; I200-V251 HydrophobicContact CB-CG2 4.34Å; I200-V251 HydrophobicContact CG1-CG1 4.15Å; I200-V251 HydrophobicContact CG2-CG1 4.25Å; I200-V251 HydrophobicContact CG2-CG2 3.73Å; M201-V251 HydrophobicContact SD-CB 4.31Å; M201-V251 HydrophobicContact SD-CG2 4.26Å; V247-V251 HydrophobicContact CG1-CG2 4.05Å; V247-V251 WeakPolarHBondContact O-CB 3.22Å; V247-V251 WeakPolarHBondContact O-CG2 3.39Å; V247-V251 PolarHBondContact O-N 3.15Å; V251-N253 VanDerWaalsContact C-N 3.35Å; V251-N253 PolarHBondContact O-N 3.36Å; V251-V254 PolarHBondContact O-N 3.34Å; V251-F255 HydrophobicContact CG1-CD2 3.73Å; V251-F255 HydrophobicContact CG1-CE2 4.04Å; V251-F255 WeakPolarHBondContact O-CD2 3.21Å; V251-F255 PolarHBondContact O-N 2.98Å; V251-I302 HydrophobicContact CG2-CG2 3.54Å
252R97.4Very high97Very high114 Ų11452 Ų5243%0.4323%0.227SC..Hα-helixtrans-58.1-46.6176.4-179.9177.769.2177.14.8111.7E248 V250 Q256E248-R252 WeakPolarHBondContact O-CB 3.27Å; E248-R252 PolarHBondContact O-N 3.43Å; V250-R252 VanDerWaalsContact C-N 3.32Å; V250-R252 PolarHBondContact O-N 2.89Å; R252-Q256 PolarHBondContact O-N 3.21Å
253N97.9Very high96.9Very high4 Ų451.4 Ų51.42%0.02122%0.224CC..Hα-helixtrans-70.1-43.3-179.9-79-76.3000111.8K249 V250 V251 F255 Q256 G265 M268 L269K249-N253 PolarHBondContact O-N 2.88Å; K249-N253 PolarHBondContact O-ND2 2.96Å; V250-N253 PolarHBondContact O-N 3.34Å; V251-N253 VanDerWaalsContact C-N 3.35Å; V251-N253 PolarHBondContact O-N 3.36Å; N253-F255 VanDerWaalsContact C-N 3.3Å; N253-F255 PolarHBondContact O-N 2.86Å; N253-Q256 WeakPolarHBondContact O-CB 3.36Å; N253-Q256 PolarHBondContact O-N 2.71Å; N253-G265 WeakPolarHBondContact O-CA 3.28Å; N253-M268 WeakPolarHBondContact OD1-CB 3.41Å; N253-L269 HydrophobicContact CB-CD2 4.03Å; N253-L269 HydrophobicContact CB-CG 4.09Å; N253-L269 VanDerWaalsContact ND2-CD2 3.27Å; N253-L269 WeakPolarHBondContact ND2-CD2 3.41Å
254V97Very high96.9Very high1 Ų151.9 Ų51.91%0.00622%0.218CC..Hα-helixtrans-54.4-46.4174.8166.80000111.4V250 V251 Q256 I266 P294 L297 I302V250-V254 HydrophobicContact CG1-CG2 4.29Å; V250-V254 WeakPolarHBondContact O-CG2 2.93Å; V250-V254 PolarHBondContact O-N 3.31Å; V251-V254 PolarHBondContact O-N 3.34Å; V254-Q256 PolarHBondContact O-N 3.4Å; V254-I266 HydrophobicContact CG2-CD1 4.35Å; V254-I266 HydrophobicContact CG2-CG1 3.81Å; V254-P294 HydrophobicContact CG1-CB 4.09Å; V254-P294 HydrophobicContact CG1-CG 4.45Å; V254-P294 WeakPolarHBondContact O-CG 3.26Å; V254-L297 HydrophobicContact CG1-CD1 3.4Å; V254-L297 VanDerWaalsContact CG1-CD1 3.4Å; V254-I302 HydrophobicContact CG1-CD1 4.3Å
255F96.7Very high96.8Very high16 Ų1651.7 Ų51.77%0.0722%0.217CC..G310 helixtrans-86.3-0-175.8-80.7-90.7000115R195 I200 V251 N253 F257 R258 P294R195-F255 HydrophobicContact CG-CE1 4.44Å; R195-F255 HydrophobicContact CG-CZ 4.36Å; I200-F255 HydrophobicContact CD1-CE2 4.46Å; I200-F255 HydrophobicContact CD1-CZ 4.4Å; I200-F255 HydrophobicContact CG1-CE2 3.71Å; I200-F255 HydrophobicContact CG1-CZ 3.97Å; V251-F255 HydrophobicContact CG1-CD2 3.73Å; V251-F255 HydrophobicContact CG1-CE2 4.04Å; V251-F255 WeakPolarHBondContact O-CD2 3.21Å; V251-F255 PolarHBondContact O-N 2.98Å; N253-F255 VanDerWaalsContact C-N 3.3Å; N253-F255 PolarHBondContact O-N 2.86Å; F255-F257 VanDerWaalsContact C-N 3.34Å; F255-F257 PolarHBondContact O-N 3.21Å; F255-R258 WeakPolarHBondContact O-CG 3.34Å; F255-P294 HydrophobicContact CD1-CB 3.84Å; F255-P294 HydrophobicContact CE1-CB 3.92Å; F255-P294 HydrophobicContact CG-CB 4.17Å; F255-P294 HydrophobicContact CZ-CB 4.29Å; F255-P294 WeakPolarHBondContact CZ-O 3.23Å
256Q94.3Very high96.7Very high65 Ų6547.1 Ų47.130%0.30420%0.198SC..G310 helixtrans-61.3-42.1179179.8172.5-26.900111.8R252 N253 V254 F324R252-Q256 PolarHBondContact O-N 3.21Å; N253-Q256 WeakPolarHBondContact O-CB 3.36Å; N253-Q256 PolarHBondContact O-N 2.71Å; V254-Q256 PolarHBondContact O-N 3.4Å; Q256-F324 VanDerWaalsContact NE2-CZ 3.26Å
257F94.2Very high96.7Very high74 Ų7450.5 Ų50.533%0.32521%0.209SC..G310 helixtrans-111.770.2-178.3-53.3-59.4000111.6F255 R259 K260 K264 M268F255-F257 VanDerWaalsContact C-N 3.34Å; F255-F257 PolarHBondContact O-N 3.21Å; F257-R259 PolarHBondContact O-N 2.85Å; F257-K260 HydrophobicContact CB-CB 3.93Å; F257-K260 HydrophobicContact CB-CG 4.06Å; F257-K260 PolarHBondContact O-N 2.85Å; F257-K264 HydrophobicContact CD2-CB 4.3Å; F257-K264 WeakPolarHBondContact CE2-O 3.19Å; F257-M268 HydrophobicContact CE2-CG 3.89Å; F257-M268 HydrophobicContact CE2-SD 4.44Å
258R90.6Very high96.6Very high97 Ų9751.8 Ų51.837%0.36622%0.216SC..THydrogen-bonded Turntrans-51.9-29.6-173.9-63.7179.961.672.9-1.9115.9R193 R195 F255R193-R258 PolarHBondContact O-NH2 3.03Å; R195-R258 VanDerWaalsContact O-CZ 3.24Å; R195-R258 PolarHBondContact O-NH1 3.41Å; R195-R258 PolarHBondContact O-NH2 3.3Å; F255-R258 WeakPolarHBondContact O-CG 3.34Å
259R93.1Very high96.6Very high220 Ų22050.2 Ų50.283%0.8321%0.208SC*.THydrogen-bonded Turntrans-97-0.6-176.8-60.2-177.2-176.1170.71.5113.4F257F257-R259 PolarHBondContact O-N 2.85Å
260K96.6Very high96.6Very high130 Ų13049.4 Ų49.457%0.56521%0.205SC*.SBendtrans-109.4166.2178.3-58.9-63.3-174.2177.50109.4F257 K264 P294F257-K260 HydrophobicContact CB-CB 3.93Å; F257-K260 HydrophobicContact CB-CG 4.06Å; F257-K260 PolarHBondContact O-N 2.85Å; K260-K264 HydrophobicContact CB-CB 4.2Å; K260-K264 HydrophobicContact CB-CG 4.19Å; K260-P294 WeakPolarHBondContact O-CD 3.19Å
261H97.8Very high96.5Very high76 Ų7651.1 Ų51.135%0.35222%0.216SC..  trans-64.1149.6173.3-57.3162.8000111.3H263 K264 P290 V291 L292H261-H263 VanDerWaalsContact C-N 3.27Å; H261-H263 WeakPolarHBondContact CB-ND1 3.31Å; H261-H263 PolarHBondContact O-N 3.47Å; H261-K264 WeakPolarHBondContact O-CB 3.37Å; H261-K264 PolarHBondContact O-N 3.24Å; H261-P290 WeakPolarHBondContact CB-O 3.45Å; H261-V291 PolarHBondContact CD2-O 3.34Å; H261-L292 CarbonylContact C-O 3.6Å
262C96.8Very high96.3Very high0 Ų056 Ų560%024%0.238CC..Hα-helixtrans-61.5-32.9-171.163.70000113K264 G265 I266 L292 L297C262-K264 PolarHBondContact O-N 3.17Å; C262-K264 VanDerWaalsContact O-N 3.12Å; C262-G265 WeakPolarHBondContact O-CA 3.24Å; C262-G265 PolarHBondContact O-N 3.03Å; C262-I266 HydrophobicContact CB-CD1 4.36Å; C262-I266 WeakPolarHBondContact O-CG1 3.16Å; C262-I266 PolarHBondContact O-N 2.72Å; C262-L292 WeakPolarHBondContact CB-O 3.38Å; C262-L292 PolarHBondContact N-O 3.23Å; C262-L292 PolarHBondContact SG-O 3Å; C262-L297 HydrophobicContact CB-CD1 3.78Å; C262-L297 HydrophobicContact CB-CG 4.49Å
263H97Very high96.2Very high40 Ų4055.7 Ų55.719%0.18526%0.26CS..Hα-helixtrans-58.3-28.3177.179.6-88.8000112.4H261 G265 I266 R267 T279 M283 P290H261-H263 VanDerWaalsContact C-N 3.27Å; H261-H263 WeakPolarHBondContact CB-ND1 3.31Å; H261-H263 PolarHBondContact O-N 3.47Å; H263-G265 VanDerWaalsContact C-N 3.31Å; H263-G265 PolarHBondContact O-N 3.28Å; H263-I266 PolarHBondContact O-N 3.11Å; H263-R267 WeakPolarHBondContact O-CB 3.26Å; H263-R267 WeakPolarHBondContact O-CG 3.31Å; H263-R267 PolarHBondContact O-N 3.24Å; H263-T279 HydrophobicContact CB-CG2 4.45Å; H263-M283 HydrophobicContact CB-SD 4.41Å; H263-P290 HydrophobicContact CB-CB 3.99Å; H263-P290 PolarHBondContact ND1-O 3.19Å
264K97.5Very high96.1Very high89 Ų8957.1 Ų57.139%0.38727%0.27SS..Hα-helixtrans-67.6-32175.9-63.8-58.5-172.8-150.70112.4F257 K260 H261 C262 R267F257-K264 HydrophobicContact CD2-CB 4.3Å; F257-K264 WeakPolarHBondContact CE2-O 3.19Å; K260-K264 HydrophobicContact CB-CB 4.2Å; K260-K264 HydrophobicContact CB-CG 4.19Å; H261-K264 WeakPolarHBondContact O-CB 3.37Å; H261-K264 PolarHBondContact O-N 3.24Å; C262-K264 PolarHBondContact O-N 3.17Å; C262-K264 VanDerWaalsContact O-N 3.12Å; K264-R267 VanDerWaalsContact O-CG 3.27Å; K264-R267 WeakPolarHBondContact O-CG 3.49Å
265G97Very high96.1Very high1 Ų157.9 Ų57.91%0.0127%0.273CS..Hα-helixtrans-77.1-46.4171.900000111.4N253 C262 H263 R267 M268N253-G265 WeakPolarHBondContact O-CA 3.28Å; C262-G265 WeakPolarHBondContact O-CA 3.24Å; C262-G265 PolarHBondContact O-N 3.03Å; H263-G265 VanDerWaalsContact C-N 3.31Å; H263-G265 PolarHBondContact O-N 3.28Å; G265-R267 VanDerWaalsContact C-N 3.33Å; G265-R267 PolarHBondContact O-N 2.68Å; G265-M268 VanDerWaalsContact O-CB 3.29Å; G265-M268 WeakPolarHBondContact O-CB 3.32Å; G265-M268 PolarHBondContact O-N 3.28Å
266I97.1Very high96.1Very high0 Ų062.7 Ų62.70%030%0.299CS..Hα-helixtrans-58.7-42.1-177.3-69.1164.2000112V254 C262 H263 M268 L269 F270 T279 M282 M283 L305V254-I266 HydrophobicContact CG2-CD1 4.35Å; V254-I266 HydrophobicContact CG2-CG1 3.81Å; C262-I266 HydrophobicContact CB-CD1 4.36Å; C262-I266 WeakPolarHBondContact O-CG1 3.16Å; C262-I266 PolarHBondContact O-N 2.72Å; H263-I266 PolarHBondContact O-N 3.11Å; I266-M268 PolarHBondContact O-N 2.69Å; I266-L269 HydrophobicContact CG2-CD1 4.39Å; I266-L269 WeakPolarHBondContact O-CB 3.38Å; I266-L269 WeakPolarHBondContact O-CG 3.09Å; I266-L269 PolarHBondContact O-N 3.27Å; I266-F270 HydrophobicContact CG2-CE2 4.24Å; I266-T279 HydrophobicContact CG2-CG2 4.28Å; I266-M282 HydrophobicContact CG2-CE 3.97Å; I266-M282 HydrophobicContact CG2-CG 4.42Å; I266-M282 HydrophobicContact CG2-SD 3.61Å; I266-M283 HydrophobicContact CD1-SD 3.33Å; I266-M283 WeakPolarHBondContact CD1-SD 3.38Å; I266-L305 HydrophobicContact CD1-CD1 4.02Å; I266-L305 HydrophobicContact CD1-CD2 3.68Å
267R97.4Very high96.3Very high84 Ų8466.1 Ų66.132%0.31732%0.315SS..G310 helixtrans-59.4-15.5177.668.6175.9-76.6155.8-4.2114.7H263 K264 G265 L269 F270 R275 T279H263-R267 WeakPolarHBondContact O-CB 3.26Å; H263-R267 WeakPolarHBondContact O-CG 3.31Å; H263-R267 PolarHBondContact O-N 3.24Å; K264-R267 VanDerWaalsContact O-CG 3.27Å; K264-R267 WeakPolarHBondContact O-CG 3.49Å; G265-R267 VanDerWaalsContact C-N 3.33Å; G265-R267 PolarHBondContact O-N 2.68Å; R267-L269 PolarHBondContact O-N 2.83Å; R267-F270 PolarHBondContact O-N 2.86Å; R267-R275 HydrophobicContact CB-CG 3.76Å; R267-R275 VanDerWaalsContact NE-CD 3.33Å; R267-R275 VanDerWaalsContact O-CD 3.24Å; R267-R275 WeakPolarHBondContact O-CD 3.32Å; R267-R275 VanDerWaalsContact O-CG 3.26Å; R267-R275 WeakPolarHBondContact O-CG 3.33Å; R267-R275 PolarHBondContact O-NE 3.41Å; R267-T279 VanDerWaalsContact CA-OG1 3.26Å; R267-T279 WeakPolarHBondContact CA-OG1 3.44Å; R267-T279 HydrophobicContact CB-CG2 4.12Å; R267-T279 VanDerWaalsContact CB-OG1 3.23Å; R267-T279 WeakPolarHBondContact CB-OG1 3.19Å
268M97.4Very high96.5Very high27 Ų2763.8 Ų63.813%0.13331%0.306CS..G310 helixtrans-78.7-4.1174.1-58.2-68.492.700112.8N253 F257 G265 I266 F270 Y322 F324N253-M268 WeakPolarHBondContact OD1-CB 3.41Å; F257-M268 HydrophobicContact CE2-CG 3.89Å; F257-M268 HydrophobicContact CE2-SD 4.44Å; G265-M268 VanDerWaalsContact O-CB 3.29Å; G265-M268 WeakPolarHBondContact O-CB 3.32Å; G265-M268 PolarHBondContact O-N 3.28Å; I266-M268 PolarHBondContact O-N 2.69Å; M268-F270 VanDerWaalsContact C-N 3.28Å; M268-Y322 WeakPolarHBondContact O-CE1 3.27Å; M268-F324 HydrophobicContact CB-CD1 3.79Å; M268-F324 HydrophobicContact CB-CE1 4.14Å; M268-F324 HydrophobicContact CB-CG 4.09Å; M268-F324 HydrophobicContact SD-CD2 3.85Å; M268-F324 HydrophobicContact SD-CE2 4.2Å; M268-F324 HydrophobicContact SD-CG 4.08Å
269L97.4Very high96.8Very high0 Ų059.8 Ų59.80%029%0.292CS..G310 helixtrans-78.5-12169.4-66.3169.6000113K249 V250 N253 I266 R267 M282 Y309 Y322K249-L269 HydrophobicContact CD-CD2 4.31Å; K249-L269 HydrophobicContact CG-CD2 3.87Å; V250-L269 HydrophobicContact CG2-CD1 4.29Å; N253-L269 HydrophobicContact CB-CD2 4.03Å; N253-L269 HydrophobicContact CB-CG 4.09Å; N253-L269 VanDerWaalsContact ND2-CD2 3.27Å; N253-L269 WeakPolarHBondContact ND2-CD2 3.41Å; I266-L269 HydrophobicContact CG2-CD1 4.39Å; I266-L269 WeakPolarHBondContact O-CB 3.38Å; I266-L269 WeakPolarHBondContact O-CG 3.09Å; I266-L269 PolarHBondContact O-N 3.27Å; R267-L269 PolarHBondContact O-N 2.83Å; L269-M282 HydrophobicContact CD1-CE 4.02Å; L269-M282 HydrophobicContact CD1-SD 4.06Å; L269-Y309 HydrophobicContact CB-CD2 4.45Å; L269-Y309 HydrophobicContact CB-CE2 3.88Å; L269-Y309 HydrophobicContact CD1-CD2 4.05Å; L269-Y309 HydrophobicContact CD1-CE2 4.17Å; L269-Y309 HydrophobicContact CD1-CG 4.4Å; L269-Y309 HydrophobicContact CD2-CE1 4.41Å; L269-Y309 HydrophobicContact CD2-CE2 4.28Å; L269-Y309 HydrophobicContact CG-CE2 4.35Å; L269-Y322 VanDerWaalsContact O-CD1 3.26Å; L269-Y322 WeakPolarHBondContact O-CD1 3.26Å
270F98Very high97Very high0 Ų054.1 Ų54.10%028%0.275CS..SBendtrans-123.7138.6-170-54.7-63.4000112.6I266 R267 M268 R275 L278 M282 Y309 L312 L319 Y322I266-F270 HydrophobicContact CG2-CE2 4.24Å; R267-F270 PolarHBondContact O-N 2.86Å; M268-F270 VanDerWaalsContact C-N 3.28Å; F270-R275 HydrophobicContact CB-CG 4.45Å; F270-R275 PolarHBondContact O-NE 2.72Å; F270-R275 VanDerWaalsContact O-NE 3.1Å; F270-R275 PolarHBondContact O-NH2 2.62Å; F270-L278 HydrophobicContact CB-CB 4.29Å; F270-L278 HydrophobicContact CB-CD1 4.34Å; F270-L278 HydrophobicContact CD1-CB 3.58Å; F270-L278 HydrophobicContact CD1-CD1 3.54Å; F270-L278 HydrophobicContact CD1-CG 4.22Å; F270-L278 HydrophobicContact CD2-CB 3.93Å; F270-L278 HydrophobicContact CE1-CB 3.78Å; F270-L278 HydrophobicContact CE1-CD1 4.12Å; F270-L278 HydrophobicContact CE2-CB 4.12Å; F270-L278 WeakPolarHBondContact CE2-O 3.17Å; F270-L278 HydrophobicContact CG-CB 3.66Å; F270-L278 HydrophobicContact CG-CD1 4.13Å; F270-L278 HydrophobicContact CZ-CB 4.04Å; F270-M282 HydrophobicContact CE2-CB 4.25Å; F270-M282 HydrophobicContact CE2-SD 3.91Å; F270-M282 HydrophobicContact CZ-CB 4.04Å; F270-M282 HydrophobicContact CZ-CG 4.43Å; F270-M282 HydrophobicContact CZ-SD 3.6Å; F270-Y309 HydrophobicContact CE1-CD2 4.12Å; F270-Y309 HydrophobicContact CE1-CE2 4.02Å; F270-Y309 HydrophobicContact CZ-CD2 4.15Å; F270-Y309 HydrophobicContact CZ-CE2 4.41Å; F270-L312 HydrophobicContact CE1-CD1 3.86Å; F270-L312 HydrophobicContact CZ-CD1 3.68Å; F270-L319 HydrophobicContact CD1-CD1 4.44Å; F270-L319 HydrophobicContact CD1-CD2 4.14Å; F270-L319 HydrophobicContact CE1-CD1 4.31Å; F270-Y322 WeakPolarHBondContact O-CE1 3.3Å; F270-Y322 PolarHBondContact O-OH 3.32Å; F270-Y322 VanDerWaalsContact O-OH 3.13Å
271P96.8Very high97.1Very high35 Ų3550.4 Ų50.423%0.22726%0.26CS..  trans-52.5148.9172-24.332.3000112.4A273 C274 R275 L319 Y322P271-A273 PolarHBondContact O-N 3.22Å; P271-C274 PolarHBondContact O-N 3.21Å; P271-R275 WeakPolarHBondContact O-CA 3.33Å; P271-R275 VanDerWaalsContact O-CB 3.27Å; P271-R275 WeakPolarHBondContact O-CB 3.26Å; P271-R275 PolarHBondContact O-N 3.22Å; P271-L319 HydrophobicContact CG-CD2 4.47Å; P271-Y322 HydrophobicContact CB-CD2 4.38Å; P271-Y322 HydrophobicContact CB-CE2 4.04Å; P271-Y322 HydrophobicContact CG-CD2 3.79Å; P271-Y322 HydrophobicContact CG-CE2 3.94Å; P271-Y322 HydrophobicContact CG-CG 4.14Å
272E95.4Very high97.1Very high102 Ų10246.8 Ų46.848%0.47724%0.243SC..G310 helixtrans-56.5-37.5-176.3-175.8154.5-103.500114C274 R275 E327 K331E272-C274 VanDerWaalsContact C-N 3.32Å; E272-C274 PolarHBondContact O-N 2.74Å; E272-R275 PolarHBondContact O-N 3.01Å; E272-R275 IonicContact OE1-NH1 2.87Å; E272-R275 PolarHBondContact OE1-NH1 3.12Å; E272-R275 VanDerWaalsContact OE1-NH1 3.09Å; E272-E327 WeakPolarHBondContact CB-OE1 3.42Å; E272-E327 PolarHBondContact N-OE1 3.18Å; E272-E327 PolarHBondContact N-OE2 3.12Å; E272-K331 WeakPolarHBondContact OE2-CE 3.45Å; E272-K331 IonicContact OE2-NZ 2.6Å; E272-K331 PolarHBondContact OE2-NZ 3.48Å
273A95Very high97.2Very high108 Ų10847.5 Ų47.589%0.89325%0.246SC*.G310 helixtrans-59.3-37.4-177.200000113.8P271P271-A273 PolarHBondContact O-N 3.22Å
274C95.8Very high97.2Very high34 Ų3452.8 Ų52.823%0.2327%0.271CS..G310 helixtrans-116.111.6-177.554.60000112.8P271 E272 L276 L278P271-C274 PolarHBondContact O-N 3.21Å; E272-C274 VanDerWaalsContact C-N 3.32Å; E272-C274 PolarHBondContact O-N 2.74Å; C274-L276 PolarHBondContact O-N 3.23Å; C274-L278 HydrophobicContact CB-CD1 3.97Å; C274-L278 HydrophobicContact CB-CG 4.16Å; C274-L278 WeakPolarHBondContact O-CB 3.43Å; C274-L278 WeakPolarHBondContact O-CG 3.47Å; C274-L278 PolarHBondContact O-N 3.08Å; C274-L278 WeakPolarHBondContact SG-CD1 3.32Å
275R96.8Very high97.2Very high17 Ų1754.5 Ų54.56%0.06428%0.275CS..Hα-helixtrans-60.8-43.9-168.4-174.1171.9-65.9140.8-5.7113.5R267 F270 P271 E272 T279 Y322 E327R267-R275 HydrophobicContact CB-CG 3.76Å; R267-R275 VanDerWaalsContact NE-CD 3.33Å; R267-R275 VanDerWaalsContact O-CD 3.24Å; R267-R275 WeakPolarHBondContact O-CD 3.32Å; R267-R275 VanDerWaalsContact O-CG 3.26Å; R267-R275 WeakPolarHBondContact O-CG 3.33Å; R267-R275 PolarHBondContact O-NE 3.41Å; F270-R275 HydrophobicContact CB-CG 4.45Å; F270-R275 PolarHBondContact O-NE 2.72Å; F270-R275 VanDerWaalsContact O-NE 3.1Å; F270-R275 PolarHBondContact O-NH2 2.62Å; P271-R275 WeakPolarHBondContact O-CA 3.33Å; P271-R275 VanDerWaalsContact O-CB 3.27Å; P271-R275 WeakPolarHBondContact O-CB 3.26Å; P271-R275 PolarHBondContact O-N 3.22Å; E272-R275 PolarHBondContact O-N 3.01Å; E272-R275 IonicContact OE1-NH1 2.87Å; E272-R275 PolarHBondContact OE1-NH1 3.12Å; E272-R275 VanDerWaalsContact OE1-NH1 3.09Å; R275-T279 VanDerWaalsContact O-CB 3.22Å; R275-T279 WeakPolarHBondContact O-CB 3.27Å; R275-T279 PolarHBondContact O-N 3.16Å; R275-T279 VanDerWaalsContact O-N 3.15Å; R275-T279 PolarHBondContact O-OG1 3.3Å; R275-Y322 PolarHBondContact NH2-OH 3.08Å; R275-E327 IonicContact NH2-OE2 2.78Å; R275-E327 PolarHBondContact NH2-OE2 2.94Å; R275-E327 VanDerWaalsContact NH2-OE2 3.08Å
276L97Very high97.3Very high118 Ų11854.8 Ų54.862%0.61828%0.277SS*.Hα-helixtrans-66.3-55.9-175.7-178.264.1000109.9C274 T279 E280C274-L276 PolarHBondContact O-N 3.23Å; L276-T279 PolarHBondContact O-N 3.45Å; L276-E280 WeakPolarHBondContact CD1-OE1 3.09Å; L276-E280 PolarHBondContact O-N 3Å
277E97.7Very high97.3Very high137 Ų13761.9 Ų61.964%0.6432%0.316SS*.Hα-helixtrans-55.4-54.4-179.9-176.3179.7-173.200112.2T279 E280 E281E277-T279 VanDerWaalsContact C-N 3.29Å; E277-T279 PolarHBondContact O-N 3.45Å; E277-E280 PolarHBondContact O-N 3.35Å; E277-E280 VanDerWaalsContact O-N 3.17Å; E277-E281 WeakPolarHBondContact O-CB 3.33Å; E277-E281 PolarHBondContact O-N 3.45Å
278L97.9Very high97.4Very high25 Ų2558.4 Ų58.413%0.13130%0.303CS..Hα-helixtrans-67.9-28.7-178.4-66.7-179.1000113.1F270 C274 M282 L312 L319F270-L278 HydrophobicContact CB-CB 4.29Å; F270-L278 HydrophobicContact CB-CD1 4.34Å; F270-L278 HydrophobicContact CD1-CB 3.58Å; F270-L278 HydrophobicContact CD1-CD1 3.54Å; F270-L278 HydrophobicContact CD1-CG 4.22Å; F270-L278 HydrophobicContact CD2-CB 3.93Å; F270-L278 HydrophobicContact CE1-CB 3.78Å; F270-L278 HydrophobicContact CE1-CD1 4.12Å; F270-L278 HydrophobicContact CE2-CB 4.12Å; F270-L278 WeakPolarHBondContact CE2-O 3.17Å; F270-L278 HydrophobicContact CG-CB 3.66Å; F270-L278 HydrophobicContact CG-CD1 4.13Å; F270-L278 HydrophobicContact CZ-CB 4.04Å; C274-L278 HydrophobicContact CB-CD1 3.97Å; C274-L278 HydrophobicContact CB-CG 4.16Å; C274-L278 WeakPolarHBondContact O-CB 3.43Å; C274-L278 WeakPolarHBondContact O-CG 3.47Å; C274-L278 PolarHBondContact O-N 3.08Å; C274-L278 WeakPolarHBondContact SG-CD1 3.32Å; L278-M282 WeakPolarHBondContact O-CB 3.49Å; L278-M282 PolarHBondContact O-N 3.16Å; L278-L312 HydrophobicContact CD2-CD2 4.39Å; L278-L319 HydrophobicContact CD1-CD1 4.16Å; L278-L319 HydrophobicContact CD1-CD2 4Å
279T98.1Very high97.4Very high12 Ų1260.8 Ų60.87%0.07432%0.317CS..Hα-helixtrans-67.9-46.6172.8-58.80000110.4H263 I266 R267 R275 L276 E277 M282 M283H263-T279 HydrophobicContact CB-CG2 4.45Å; I266-T279 HydrophobicContact CG2-CG2 4.28Å; R267-T279 VanDerWaalsContact CA-OG1 3.26Å; R267-T279 WeakPolarHBondContact CA-OG1 3.44Å; R267-T279 HydrophobicContact CB-CG2 4.12Å; R267-T279 VanDerWaalsContact CB-OG1 3.23Å; R267-T279 WeakPolarHBondContact CB-OG1 3.19Å; R275-T279 VanDerWaalsContact O-CB 3.22Å; R275-T279 WeakPolarHBondContact O-CB 3.27Å; R275-T279 PolarHBondContact O-N 3.16Å; R275-T279 VanDerWaalsContact O-N 3.15Å; R275-T279 PolarHBondContact O-OG1 3.3Å; L276-T279 PolarHBondContact O-N 3.45Å; E277-T279 VanDerWaalsContact C-N 3.29Å; E277-T279 PolarHBondContact O-N 3.45Å; T279-M282 PolarHBondContact O-N 3.39Å; T279-M283 HydrophobicContact CG2-CG 4.29Å; T279-M283 WeakPolarHBondContact O-CB 3.32Å; T279-M283 WeakPolarHBondContact O-CG 3.41Å; T279-M283 PolarHBondContact O-N 2.99Å
280E97.6Very high97.3Very high101 Ų10163.5 Ų63.547%0.47233%0.334SS..Hα-helixtrans-62.1-46.6178.2-73.8176-173.700111L276 E277 M282 M283 Q284L276-E280 WeakPolarHBondContact CD1-OE1 3.09Å; L276-E280 PolarHBondContact O-N 3Å; E277-E280 PolarHBondContact O-N 3.35Å; E277-E280 VanDerWaalsContact O-N 3.17Å; E280-M282 PolarHBondContact O-N 2.93Å; E280-M283 PolarHBondContact O-N 2.93Å; E280-Q284 WeakPolarHBondContact O-CB 3.39Å; E280-Q284 VanDerWaalsContact O-CG 3.27Å; E280-Q284 WeakPolarHBondContact O-CG 3.49Å; E280-Q284 PolarHBondContact O-N 2.91Å
281E97.9Very high97.3Very high53 Ų5367 Ų6725%0.24836%0.356CS..Hα-helixtrans-58.7-47.7176.1-172-175.8172.900111.6E277 M283 Q284 R285 L312E277-E281 WeakPolarHBondContact O-CB 3.33Å; E277-E281 PolarHBondContact O-N 3.45Å; E281-M283 PolarHBondContact O-N 3.45Å; E281-Q284 PolarHBondContact O-N 3.5Å; E281-R285 HydrophobicContact CG-CG 4.42Å; E281-R285 WeakPolarHBondContact O-CB 3.16Å; E281-R285 VanDerWaalsContact O-CG 3.26Å; E281-R285 WeakPolarHBondContact O-CG 3.33Å; E281-R285 PolarHBondContact O-N 2.84Å; E281-R285 IonicContact OE1-CZ 2.87Å; E281-R285 IonicContact OE1-NE 3.08Å; E281-R285 PolarHBondContact OE1-NE 2.94Å; E281-R285 IonicContact OE1-NH2 3.72Å; E281-R285 PolarHBondContact OE1-NH2 3.21Å; E281-L312 VanDerWaalsContact CD-CD2 3.5Å; E281-L312 HydrophobicContact CG-CD2 4.22Å; E281-L312 WeakPolarHBondContact OE1-CD2 3.46Å
282M98.2Very high97.3Very high0 Ų067 Ų670%035%0.354CS..Hα-helixtrans-61.3-43.4178.1-177.9172.4163.400112.1V250 I266 L269 F270 L278 T279 E280 A286 L305 A308 Y309 L312V250-M282 HydrophobicContact CG1-CE 4.44Å; I266-M282 HydrophobicContact CG2-CE 3.97Å; I266-M282 HydrophobicContact CG2-CG 4.42Å; I266-M282 HydrophobicContact CG2-SD 3.61Å; L269-M282 HydrophobicContact CD1-CE 4.02Å; L269-M282 HydrophobicContact CD1-SD 4.06Å; F270-M282 HydrophobicContact CE2-CB 4.25Å; F270-M282 HydrophobicContact CE2-SD 3.91Å; F270-M282 HydrophobicContact CZ-CB 4.04Å; F270-M282 HydrophobicContact CZ-CG 4.43Å; F270-M282 HydrophobicContact CZ-SD 3.6Å; L278-M282 WeakPolarHBondContact O-CB 3.49Å; L278-M282 PolarHBondContact O-N 3.16Å; T279-M282 PolarHBondContact O-N 3.39Å; E280-M282 PolarHBondContact O-N 2.93Å; M282-A286 VanDerWaalsContact O-CB 3.22Å; M282-A286 WeakPolarHBondContact O-CB 3.37Å; M282-A286 PolarHBondContact O-N 2.78Å; M282-L305 HydrophobicContact CE-CB 3.87Å; M282-L305 HydrophobicContact CE-CD2 3.85Å; M282-L305 HydrophobicContact CE-CG 4.47Å; M282-L305 WeakPolarHBondContact CE-O 3.29Å; M282-A308 HydrophobicContact CG-CB 4.08Å; M282-Y309 HydrophobicContact SD-CD2 4.14Å; M282-Y309 HydrophobicContact SD-CG 4.49Å; M282-L312 HydrophobicContact CB-CD1 3.76Å; M282-L312 HydrophobicContact CG-CD1 4.35Å
283M97.8Very high97.4Very high14 Ų1467.8 Ų67.87%0.06935%0.352CS..Hα-helixtrans-67.4-42.6-179.4-69.6-61.4-4300111.7H263 I266 T279 E280 E281 A286 D287 V288 P290 L305H263-M283 HydrophobicContact CB-SD 4.41Å; I266-M283 HydrophobicContact CD1-SD 3.33Å; I266-M283 WeakPolarHBondContact CD1-SD 3.38Å; T279-M283 HydrophobicContact CG2-CG 4.29Å; T279-M283 WeakPolarHBondContact O-CB 3.32Å; T279-M283 WeakPolarHBondContact O-CG 3.41Å; T279-M283 PolarHBondContact O-N 2.99Å; E280-M283 PolarHBondContact O-N 2.93Å; E281-M283 PolarHBondContact O-N 3.45Å; M283-A286 PolarHBondContact O-N 2.97Å; M283-D287 PolarHBondContact O-N 2.94Å; M283-D287 VanDerWaalsContact O-N 3.15Å; M283-V288 HydrophobicContact CE-CB 3.91Å; M283-V288 HydrophobicContact CE-CG1 4.01Å; M283-V288 WeakPolarHBondContact CE-O 3.1Å; M283-P290 VanDerWaalsContact CE-CA 3.47Å; M283-P290 HydrophobicContact CE-CB 3.84Å; M283-P290 HydrophobicContact CG-CB 4.46Å; M283-L305 HydrophobicContact SD-CD2 4.13Å
284Q97.7Very high97.5Very high151 Ų15162.7 Ų62.771%0.70631%0.31SS*.Hα-helixtrans-63.8-48176.7-72.8173.55.800111.2E280 E281 A286 D287E280-Q284 WeakPolarHBondContact O-CB 3.39Å; E280-Q284 VanDerWaalsContact O-CG 3.27Å; E280-Q284 WeakPolarHBondContact O-CG 3.49Å; E280-Q284 PolarHBondContact O-N 2.91Å; E281-Q284 PolarHBondContact O-N 3.5Å; Q284-A286 VanDerWaalsContact C-N 3.28Å; Q284-A286 PolarHBondContact O-N 2.96Å; Q284-D287 PolarHBondContact O-N 3.27Å; Q284-D287 VanDerWaalsContact O-N 3.13Å
285R98Very high97.6Very high125 Ų12562.2 Ų62.247%0.47231%0.306SS..Hα-helixtrans-61.5-35.7177.5-74.7175.8178.5-93.69.3113E281 D287 A308 H311E281-R285 HydrophobicContact CG-CG 4.42Å; E281-R285 WeakPolarHBondContact O-CB 3.16Å; E281-R285 VanDerWaalsContact O-CG 3.26Å; E281-R285 WeakPolarHBondContact O-CG 3.33Å; E281-R285 PolarHBondContact O-N 2.84Å; E281-R285 IonicContact OE1-CZ 2.87Å; E281-R285 IonicContact OE1-NE 3.08Å; E281-R285 PolarHBondContact OE1-NE 2.94Å; E281-R285 IonicContact OE1-NH2 3.72Å; E281-R285 PolarHBondContact OE1-NH2 3.21Å; R285-D287 VanDerWaalsContact C-N 3.3Å; R285-A308 HydrophobicContact CB-CB 3.94Å; R285-H311 VanDerWaalsContact CZ-NE2 3.31Å; R285-H311 PolarHBondContact NH1-CD2 3.12Å; R285-H311 PolarHBondContact NH1-NE2 3.13Å; R285-H311 PolarHBondContact NH2-NE2 2.86Å
286A98.3Very high97.7Very high7 Ų765.3 Ų65.36%0.05832%0.321CS..Hα-helixtrans-77.9-15179.100000113.4M282 M283 Q284 V288 A304 L305 A308M282-A286 VanDerWaalsContact O-CB 3.22Å; M282-A286 WeakPolarHBondContact O-CB 3.37Å; M282-A286 PolarHBondContact O-N 2.78Å; M283-A286 PolarHBondContact O-N 2.97Å; Q284-A286 VanDerWaalsContact C-N 3.28Å; Q284-A286 PolarHBondContact O-N 2.96Å; A286-V288 VanDerWaalsContact C-N 3.27Å; A286-V288 HydrophobicContact CB-CB 4.48Å; A286-V288 HydrophobicContact CB-CG2 4.06Å; A286-V288 PolarHBondContact O-N 3.12Å; A286-A304 HydrophobicContact CB-CB 4.12Å; A286-A304 VanDerWaalsContact O-CB 3.24Å; A286-A304 WeakPolarHBondContact O-CB 3.45Å; A286-L305 HydrophobicContact CB-CD2 3.7Å; A286-L305 HydrophobicContact CB-CG 4.14Å; A286-A308 HydrophobicContact CB-CB 4.11Å
287D98.1Very high97.7Very high150 Ų15059.7 Ų59.780%0.80229%0.292SS*.THydrogen-bonded Turntrans4948.6-172.6-167.832.6000112.2M283 Q284 R285M283-D287 PolarHBondContact O-N 2.94Å; M283-D287 VanDerWaalsContact O-N 3.15Å; Q284-D287 PolarHBondContact O-N 3.27Å; Q284-D287 VanDerWaalsContact O-N 3.13Å; R285-D287 VanDerWaalsContact C-N 3.3Å
288V97.6Very high97.7Very high10 Ų1055.1 Ų55.16%0.06127%0.273CS..  trans-116.1133.6178.6175.10000109.1M283 A286 P290 L292 L297 H301 L305M283-V288 HydrophobicContact CE-CB 3.91Å; M283-V288 HydrophobicContact CE-CG1 4.01Å; M283-V288 WeakPolarHBondContact CE-O 3.1Å; A286-V288 VanDerWaalsContact C-N 3.27Å; A286-V288 HydrophobicContact CB-CB 4.48Å; A286-V288 HydrophobicContact CB-CG2 4.06Å; A286-V288 PolarHBondContact O-N 3.12Å; V288-P290 WeakPolarHBondContact O-CD 3.42Å; V288-L292 HydrophobicContact CG1-CD1 4.24Å; V288-L297 HydrophobicContact CG1-CD2 3.71Å; V288-H301 HydrophobicContact CG1-CB 4.37Å; V288-H301 HydrophobicContact CG2-CB 3.89Å; V288-L305 HydrophobicContact CG2-CD2 4.48Å; V288-L305 HydrophobicContact CG2-CG 4.19Å
289D97.6Very high97.8Very high78 Ų7854.5 Ų54.542%0.41727%0.27SS..  trans-61.5118174.6173.32.6000110.7V291 L292D289-V291 PolarHBondContact O-N 2.95Å; D289-V291 VanDerWaalsContact O-N 3.17Å; D289-V291 WeakPolarHBondContact OD1-CG2 3.47Å; D289-V291 PolarHBondContact OD1-N 3.45Å; D289-V291 WeakPolarHBondContact OD2-CG2 3.35Å; D289-L292 HydrophobicContact CB-CD1 4.11Å; D289-L292 HydrophobicContact CB-CG 3.91Å; D289-L292 PolarHBondContact O-N 3.45Å
290P96.8Very high97.8Very high56 Ų5657 Ų5736%0.36429%0.287SS..THydrogen-bonded Turntrans-66.7-13.7-177.328-36000114.3H261 H263 M283 V288H261-P290 WeakPolarHBondContact CB-O 3.45Å; H263-P290 HydrophobicContact CB-CB 3.99Å; H263-P290 PolarHBondContact ND1-O 3.19Å; M283-P290 VanDerWaalsContact CE-CA 3.47Å; M283-P290 HydrophobicContact CE-CB 3.84Å; M283-P290 HydrophobicContact CG-CB 4.46Å; V288-P290 WeakPolarHBondContact O-CD 3.42Å
291V96.8Very high97.8Very high74 Ų7454.9 Ų54.945%0.44828%0.276SS..THydrogen-bonded Turntrans-92.3-7.5178.7-54.20000113.9H261 D289 R293H261-V291 PolarHBondContact CD2-O 3.34Å; D289-V291 PolarHBondContact O-N 2.95Å; D289-V291 VanDerWaalsContact O-N 3.17Å; D289-V291 WeakPolarHBondContact OD1-CG2 3.47Å; D289-V291 PolarHBondContact OD1-N 3.45Å; D289-V291 WeakPolarHBondContact OD2-CG2 3.35Å; V291-R293 PolarHBondContact O-N 2.89Å
292L97.8Very high97.9Very high35 Ų3552.4 Ų52.418%0.18327%0.265CS..  trans-58140173-68.9176000111.2H261 C262 V288 D289 E296 L297H261-L292 CarbonylContact C-O 3.6Å; C262-L292 WeakPolarHBondContact CB-O 3.38Å; C262-L292 PolarHBondContact N-O 3.23Å; C262-L292 PolarHBondContact SG-O 3Å; V288-L292 HydrophobicContact CG1-CD1 4.24Å; D289-L292 HydrophobicContact CB-CD1 4.11Å; D289-L292 HydrophobicContact CB-CG 3.91Å; D289-L292 PolarHBondContact O-N 3.45Å; L292-E296 HydrophobicContact CD2-CB 4.21Å; L292-L297 HydrophobicContact CB-CD2 4.04Å; L292-L297 HydrophobicContact CD1-CD2 3.91Å
293R97.3Very high97.9Very high119 Ų11956.9 Ų56.945%0.44928%0.282SS..  trans-77.4152.9170.7-62.5-176.1175.3-157.8-0.1109.8V291 T295 E296 L297V291-R293 PolarHBondContact O-N 2.89Å; R293-T295 PolarHBondContact O-N 2.75Å; R293-E296 HydrophobicContact CB-CG 4.3Å; R293-E296 VanDerWaalsContact CB-OE2 3.3Å; R293-E296 WeakPolarHBondContact CB-OE2 3.27Å; R293-E296 PolarHBondContact N-OE2 3.43Å; R293-E296 WeakPolarHBondContact O-CB 3.37Å; R293-E296 PolarHBondContact O-N 3.03Å; R293-L297 PolarHBondContact O-N 3.45Å
294P97.5Very high97.9Very high1 Ų157.6 Ų57.61%0.00629%0.289CS..THydrogen-bonded Turntrans-52.4-33.6178.1-31.136.9000114.3V254 F255 K260 E296V254-P294 HydrophobicContact CG1-CB 4.09Å; V254-P294 HydrophobicContact CG1-CG 4.45Å; V254-P294 WeakPolarHBondContact O-CG 3.26Å; F255-P294 HydrophobicContact CD1-CB 3.84Å; F255-P294 HydrophobicContact CE1-CB 3.92Å; F255-P294 HydrophobicContact CG-CB 4.17Å; F255-P294 HydrophobicContact CZ-CB 4.29Å; F255-P294 WeakPolarHBondContact CZ-O 3.23Å; K260-P294 WeakPolarHBondContact O-CD 3.19Å; P294-E296 VanDerWaalsContact C-N 3.28Å; P294-E296 PolarHBondContact O-N 3.49Å
295T97.4Very high98Very high23 Ų2350.4 Ų50.414%0.14126%0.256CS..THydrogen-bonded Turntrans-72.4-19.4178.250.60000113.7G191 R195 R293G191-T295 WeakPolarHBondContact CA-O 3.22Å; G191-T295 PolarHBondContact N-O 3.23Å; R195-T295 HydrophobicContact CB-CG2 4.29Å; R195-T295 WeakPolarHBondContact CD-O 3.48Å; R293-T295 PolarHBondContact O-N 2.75Å
296E97.8Very high98Very high83 Ų8344.4 Ų44.439%0.38823%0.233SC..THydrogen-bonded Turntrans-90.5-15.3-179.3-63.4165.4156.400111.8T190 L292 R293 P294 T298T190-E296 WeakPolarHBondContact CG2-O 3.21Å; L292-E296 HydrophobicContact CD2-CB 4.21Å; R293-E296 HydrophobicContact CB-CG 4.3Å; R293-E296 VanDerWaalsContact CB-OE2 3.3Å; R293-E296 WeakPolarHBondContact CB-OE2 3.27Å; R293-E296 PolarHBondContact N-OE2 3.43Å; R293-E296 WeakPolarHBondContact O-CB 3.37Å; R293-E296 PolarHBondContact O-N 3.03Å; P294-E296 VanDerWaalsContact C-N 3.28Å; P294-E296 PolarHBondContact O-N 3.49Å; E296-T298 PolarHBondContact O-N 2.98Å
297L98.1Very high98Very high0 Ų047 Ų470%025%0.246CC..  trans-67.1123.4177.2-64.4173.7000111.5R195 V254 C262 V288 L292 R293 H301 I302 L305R195-L297 PolarHBondContact NE-O 3.39Å; R195-L297 VanDerWaalsContact NE-O 3.11Å; R195-L297 PolarHBondContact NH2-O 2.97Å; V254-L297 HydrophobicContact CG1-CD1 3.4Å; V254-L297 VanDerWaalsContact CG1-CD1 3.4Å; C262-L297 HydrophobicContact CB-CD1 3.78Å; C262-L297 HydrophobicContact CB-CG 4.49Å; V288-L297 HydrophobicContact CG1-CD2 3.71Å; L292-L297 HydrophobicContact CB-CD2 4.04Å; L292-L297 HydrophobicContact CD1-CD2 3.91Å; R293-L297 PolarHBondContact O-N 3.45Å; L297-H301 HydrophobicContact CB-CB 4.37Å; L297-H301 HydrophobicContact CD2-CB 3.9Å; L297-I302 HydrophobicContact CB-CD1 4.04Å; L297-I302 HydrophobicContact CB-CG1 4.45Å; L297-I302 HydrophobicContact CD1-CD1 3.89Å; L297-L305 HydrophobicContact CD1-CD1 4.35Å
298T98.3Very high98.1Very high40 Ų4040.2 Ų40.225%0.24521%0.211CC..  trans-77.3166.4173.569.50000110.4T190 E296 P300 H301 I302T190-T298 HydrophobicContact CG2-CG2 4.09Å; E296-T298 PolarHBondContact O-N 2.98Å; T298-P300 WeakPolarHBondContact OG1-CD 3.37Å; T298-H301 PolarHBondContact N-ND1 2.8Å; T298-H301 PolarHBondContact O-N 2.95Å; T298-H301 PolarHBondContact OG1-CD2 3.33Å; T298-H301 VanDerWaalsContact OG1-CG 3.23Å; T298-H301 PolarHBondContact OG1-N 2.98Å; T298-H301 VanDerWaalsContact OG1-N 3.16Å; T298-H301 PolarHBondContact OG1-ND1 2.97Å; T298-I302 WeakPolarHBondContact O-CG1 3.43Å; T298-I302 PolarHBondContact O-N 3.36Å; T298-I302 VanDerWaalsContact O-N 3.12Å
299I98.3Very high98.1Very high13 Ų1339.8 Ų39.87%0.06721%0.208CC..Hα-helixtrans-62.3-40.6173.4-64.3178.4000111.6Q203 Q239 I240 H301 I302 R303Q203-I299 HydrophobicContact CB-CD1 3.7Å; Q239-I299 HydrophobicContact CB-CG2 3.51Å; Q239-I299 HydrophobicContact CG-CG2 4.33Å; I240-I299 HydrophobicContact CD1-CG2 4.25Å; I240-I299 HydrophobicContact CG1-CG2 4.1Å; I299-H301 VanDerWaalsContact C-N 3.34Å; I299-H301 PolarHBondContact O-N 3.15Å; I299-I302 PolarHBondContact O-N 2.9Å; I299-R303 PolarHBondContact O-N 3.31Å
300P98.6Very high98.2Very high65 Ų6537 Ų3742%0.42220%0.196SC..Hα-helixtrans-54.4-41.8169.4-30.436.4000114.6T298 I302 R303 A304T298-P300 WeakPolarHBondContact OG1-CD 3.37Å; P300-I302 PolarHBondContact O-N 3.2Å; P300-R303 WeakPolarHBondContact O-CB 3.48Å; P300-R303 PolarHBondContact O-N 2.8Å; P300-A304 PolarHBondContact O-N 2.86Å
301H98.6Very high98.2Very high56 Ų5638 Ų3826%0.25920%0.196SC..Hα-helixtrans-62.8-43.9175.3-60.2165.1000111.5V288 L297 T298 I299 R303 A304 L305V288-H301 HydrophobicContact CG1-CB 4.37Å; V288-H301 HydrophobicContact CG2-CB 3.89Å; L297-H301 HydrophobicContact CB-CB 4.37Å; L297-H301 HydrophobicContact CD2-CB 3.9Å; T298-H301 PolarHBondContact N-ND1 2.8Å; T298-H301 PolarHBondContact O-N 2.95Å; T298-H301 PolarHBondContact OG1-CD2 3.33Å; T298-H301 VanDerWaalsContact OG1-CG 3.23Å; T298-H301 PolarHBondContact OG1-N 2.98Å; T298-H301 VanDerWaalsContact OG1-N 3.16Å; T298-H301 PolarHBondContact OG1-ND1 2.97Å; I299-H301 VanDerWaalsContact C-N 3.34Å; I299-H301 PolarHBondContact O-N 3.15Å; H301-R303 VanDerWaalsContact C-N 3.3Å; H301-R303 PolarHBondContact O-N 3.16Å; H301-A304 PolarHBondContact O-N 3.45Å; H301-L305 WeakPolarHBondContact O-CB 3.45Å; H301-L305 VanDerWaalsContact O-CG 3.27Å; H301-L305 WeakPolarHBondContact O-CG 3.38Å; H301-L305 PolarHBondContact O-N 2.94Å
302I98.6Very high98.3Very high0 Ų034.7 Ų34.70%018%0.175CC..Hα-helixtrans-64.5-36.6176.6-59.6-61.3000111.4I200 I240 V251 V254 L297 T298 I299 P300 L305 S306I200-I302 HydrophobicContact CD1-CG1 4.35Å; I200-I302 HydrophobicContact CG2-CB 4.36Å; I200-I302 HydrophobicContact CG2-CG1 4.17Å; I200-I302 HydrophobicContact CG2-CG2 3.96Å; I240-I302 HydrophobicContact CD1-CB 4.21Å; I240-I302 HydrophobicContact CD1-CG2 3.72Å; V251-I302 HydrophobicContact CG2-CG2 3.54Å; V254-I302 HydrophobicContact CG1-CD1 4.3Å; L297-I302 HydrophobicContact CB-CD1 4.04Å; L297-I302 HydrophobicContact CB-CG1 4.45Å; L297-I302 HydrophobicContact CD1-CD1 3.89Å; T298-I302 WeakPolarHBondContact O-CG1 3.43Å; T298-I302 PolarHBondContact O-N 3.36Å; T298-I302 VanDerWaalsContact O-N 3.12Å; I299-I302 PolarHBondContact O-N 2.9Å; P300-I302 PolarHBondContact O-N 3.2Å; I302-L305 HydrophobicContact CD1-CD1 4.4Å; I302-S306 WeakPolarHBondContact O-CB 3.42Å; I302-S306 PolarHBondContact O-N 3.17Å; I302-S306 PolarHBondContact O-OG 3.31Å
303R98.8Very high98.3Very high95 Ų9533.8 Ų33.836%0.35817%0.172SC..Hα-helixtrans-57.7-55.5173.2-173.2-163.5-51.5158.17.4110.4Q239 I240 I299 P300 H301 L305 S306 D307Q239-R303 VanDerWaalsContact O-CZ 3.3Å; Q239-R303 PolarHBondContact O-NE 2.84Å; Q239-R303 PolarHBondContact O-NH2 3.15Å; I240-R303 HydrophobicContact CG1-CB 3.92Å; I240-R303 HydrophobicContact CG1-CG 4.31Å; I240-R303 HydrophobicContact CG2-CG 4.3Å; I299-R303 PolarHBondContact O-N 3.31Å; P300-R303 WeakPolarHBondContact O-CB 3.48Å; P300-R303 PolarHBondContact O-N 2.8Å; H301-R303 VanDerWaalsContact C-N 3.3Å; H301-R303 PolarHBondContact O-N 3.16Å; R303-L305 VanDerWaalsContact C-N 3.3Å; R303-L305 PolarHBondContact O-N 2.68Å; R303-S306 CarbonylContact O-C 3.56Å; R303-S306 WeakPolarHBondContact O-CA 3.29Å; R303-S306 WeakPolarHBondContact O-CB 3.17Å; R303-S306 PolarHBondContact O-N 2.78Å; R303-D307 VanDerWaalsContact O-CG 3.29Å; R303-D307 PolarHBondContact O-N 3.24Å
304A98.8Very high98.2Very high28 Ų2831.7 Ų31.723%0.23118%0.18CC..Hα-helixtrans-59.4-41.5-178.500000112A286 P300 H301 S306 D307 A308A286-A304 HydrophobicContact CB-CB 4.12Å; A286-A304 VanDerWaalsContact O-CB 3.24Å; A286-A304 WeakPolarHBondContact O-CB 3.45Å; P300-A304 PolarHBondContact O-N 2.86Å; H301-A304 PolarHBondContact O-N 3.45Å; A304-S306 PolarHBondContact O-N 3.41Å; A304-D307 PolarHBondContact O-N 3.15Å; A304-A308 VanDerWaalsContact O-CB 3.3Å; A304-A308 WeakPolarHBondContact O-CB 3.37Å; A304-A308 PolarHBondContact O-N 3.47Å
305L98.8Very high98.1Very high0 Ų036.8 Ų36.80%021%0.208CC..Hα-helixtrans-62.5-40.4172.8-70.4168.7000112.3V250 I266 M282 M283 A286 V288 L297 H301 I302 R303 Y309V250-L305 HydrophobicContact CG1-CB 4.21Å; I266-L305 HydrophobicContact CD1-CD1 4.02Å; I266-L305 HydrophobicContact CD1-CD2 3.68Å; M282-L305 HydrophobicContact CE-CB 3.87Å; M282-L305 HydrophobicContact CE-CD2 3.85Å; M282-L305 HydrophobicContact CE-CG 4.47Å; M282-L305 WeakPolarHBondContact CE-O 3.29Å; M283-L305 HydrophobicContact SD-CD2 4.13Å; A286-L305 HydrophobicContact CB-CD2 3.7Å; A286-L305 HydrophobicContact CB-CG 4.14Å; V288-L305 HydrophobicContact CG2-CD2 4.48Å; V288-L305 HydrophobicContact CG2-CG 4.19Å; L297-L305 HydrophobicContact CD1-CD1 4.35Å; H301-L305 WeakPolarHBondContact O-CB 3.45Å; H301-L305 VanDerWaalsContact O-CG 3.27Å; H301-L305 WeakPolarHBondContact O-CG 3.38Å; H301-L305 PolarHBondContact O-N 2.94Å; I302-L305 HydrophobicContact CD1-CD1 4.4Å; R303-L305 VanDerWaalsContact C-N 3.3Å; R303-L305 PolarHBondContact O-N 2.68Å; L305-Y309 VanDerWaalsContact O-CB 3.32Å; L305-Y309 WeakPolarHBondContact O-CB 3.39Å; L305-Y309 PolarHBondContact O-N 3Å
306S98.7Very high97.9Very high0 Ų038.5 Ų38.50%022%0.216CC..Hα-helixtrans-69.3-40178.8-54.60000111.5L246 I302 R303 A304 Y309 A310L246-S306 WeakPolarHBondContact CD2-O 3.48Å; I302-S306 WeakPolarHBondContact O-CB 3.42Å; I302-S306 PolarHBondContact O-N 3.17Å; I302-S306 PolarHBondContact O-OG 3.31Å; R303-S306 CarbonylContact O-C 3.56Å; R303-S306 WeakPolarHBondContact O-CA 3.29Å; R303-S306 WeakPolarHBondContact O-CB 3.17Å; R303-S306 PolarHBondContact O-N 2.78Å; A304-S306 PolarHBondContact O-N 3.41Å; S306-Y309 PolarHBondContact O-N 2.98Å; S306-A310 WeakPolarHBondContact O-CB 3.45Å; S306-A310 PolarHBondContact O-N 2.6Å
307D98.8Very high97.6Very high62 Ų6239 Ų3933%0.33223%0.226SC..Hα-helixtrans-66.2-44.1176.7-64.7-22.7000111.1Q242 R303 A304 A310 H311Q242-D307 VanDerWaalsContact CG-OD1 3.27Å; Q242-D307 WeakPolarHBondContact CG-OD1 3.46Å; Q242-D307 PolarHBondContact NE2-OD1 2.85Å; R303-D307 VanDerWaalsContact O-CG 3.29Å; R303-D307 PolarHBondContact O-N 3.24Å; A304-D307 PolarHBondContact O-N 3.15Å; D307-A310 PolarHBondContact O-N 2.96Å; D307-H311 PolarHBondContact O-N 2.87Å
308A98.6Very high97.4Very high7 Ų744.2 Ų44.26%0.05825%0.254CS..Hα-helixtrans-61.5-44.8174.300000111.7M282 R285 A286 A304 A310 H311 L312M282-A308 HydrophobicContact CG-CB 4.08Å; R285-A308 HydrophobicContact CB-CB 3.94Å; A286-A308 HydrophobicContact CB-CB 4.11Å; A304-A308 VanDerWaalsContact O-CB 3.3Å; A304-A308 WeakPolarHBondContact O-CB 3.37Å; A304-A308 PolarHBondContact O-N 3.47Å; A308-A310 PolarHBondContact O-N 3.48Å; A308-H311 WeakPolarHBondContact O-CB 3.45Å; A308-H311 PolarHBondContact O-N 3.22Å; A308-L312 WeakPolarHBondContact O-CG 3.5Å; A308-L312 PolarHBondContact O-N 3.07Å; A308-L312 VanDerWaalsContact O-N 3.08Å
309Y98.6Very high97.3Very high0 Ų042.5 Ų42.50%024%0.243CC..Hα-helixtrans-65.5-39177.1-175.4-117.4000112.4L246 K249 V250 L269 F270 M282 L305 S306 H311 L312 C313 L319 F320L246-Y309 HydrophobicContact CD1-CD1 4.45Å; L246-Y309 HydrophobicContact CD2-CD1 4.03Å; L246-Y309 HydrophobicContact CG-CD1 3.97Å; L246-Y309 HydrophobicContact CG-CE1 4.4Å; K249-Y309 HydrophobicContact CD-CE1 4.23Å; K249-Y309 WeakPolarHBondContact CE-OH 3.27Å; K249-Y309 PolarHBondContact NZ-OH 3.34Å; K249-Y309 VanDerWaalsContact NZ-OH 3.16Å; V250-Y309 HydrophobicContact CG2-CD1 3.47Å; V250-Y309 VanDerWaalsContact CG2-CD1 3.47Å; V250-Y309 HydrophobicContact CG2-CE1 4.21Å; V250-Y309 HydrophobicContact CG2-CG 3.88Å; L269-Y309 HydrophobicContact CB-CD2 4.45Å; L269-Y309 HydrophobicContact CB-CE2 3.88Å; L269-Y309 HydrophobicContact CD1-CD2 4.05Å; L269-Y309 HydrophobicContact CD1-CE2 4.17Å; L269-Y309 HydrophobicContact CD1-CG 4.4Å; L269-Y309 HydrophobicContact CD2-CE1 4.41Å; L269-Y309 HydrophobicContact CD2-CE2 4.28Å; L269-Y309 HydrophobicContact CG-CE2 4.35Å; F270-Y309 HydrophobicContact CE1-CD2 4.12Å; F270-Y309 HydrophobicContact CE1-CE2 4.02Å; F270-Y309 HydrophobicContact CZ-CD2 4.15Å; F270-Y309 HydrophobicContact CZ-CE2 4.41Å; M282-Y309 HydrophobicContact SD-CD2 4.14Å; M282-Y309 HydrophobicContact SD-CG 4.49Å; L305-Y309 VanDerWaalsContact O-CB 3.32Å; L305-Y309 WeakPolarHBondContact O-CB 3.39Å; L305-Y309 PolarHBondContact O-N 3Å; S306-Y309 PolarHBondContact O-N 2.98Å; Y309-H311 VanDerWaalsContact C-N 3.31Å; Y309-H311 PolarHBondContact O-N 3.03Å; Y309-L312 PolarHBondContact O-N 3.01Å; Y309-C313 VanDerWaalsContact CE1-SG 3.59Å; Y309-C313 PolarHBondContact O-N 3.3Å; Y309-C313 PolarHBondContact O-SG 3.44Å; Y309-L319 PolarHBondContact OH-O 3.43Å; Y309-F320 HydrophobicContact CE1-CD2 4.41Å
310A98.4Very high97.2Very high20 Ų2046.2 Ų46.217%0.16526%0.259CS..Hα-helixtrans-60.6-41.317500000111.7L246 S306 D307 A308 C313 A314L246-A310 HydrophobicContact CD1-CB 3.67Å; S306-A310 WeakPolarHBondContact O-CB 3.45Å; S306-A310 PolarHBondContact O-N 2.6Å; D307-A310 PolarHBondContact O-N 2.96Å; A308-A310 PolarHBondContact O-N 3.48Å; A310-C313 PolarHBondContact O-N 3.03Å; A310-A314 PolarHBondContact O-N 3.32Å
311H98.1Very high97Very high76 Ų7647.5 Ų47.535%0.35227%0.27SS..Hα-helixtrans-60.4-46.5173.5-178.779.5000112.1R285 D307 A308 Y309 C313 A314 N315R285-H311 VanDerWaalsContact CZ-NE2 3.31Å; R285-H311 PolarHBondContact NH1-CD2 3.12Å; R285-H311 PolarHBondContact NH1-NE2 3.13Å; R285-H311 PolarHBondContact NH2-NE2 2.86Å; D307-H311 PolarHBondContact O-N 2.87Å; A308-H311 WeakPolarHBondContact O-CB 3.45Å; A308-H311 PolarHBondContact O-N 3.22Å; Y309-H311 VanDerWaalsContact C-N 3.31Å; Y309-H311 PolarHBondContact O-N 3.03Å; H311-C313 VanDerWaalsContact C-N 3.34Å; H311-C313 PolarHBondContact O-N 3Å; H311-A314 WeakPolarHBondContact O-CB 3.36Å; H311-A314 PolarHBondContact O-N 3.28Å; H311-A314 VanDerWaalsContact O-N 3.16Å; H311-N315 PolarHBondContact NE2-ND2 3.27Å; H311-N315 PolarHBondContact O-N 3.34Å
312L97.9Very high96.9Very high5 Ų546.4 Ų46.43%0.02626%0.264CS..Hα-helixtrans-62.7-40.7177.2-64176.5000112F270 L278 E281 M282 A308 Y309 A314 N315 D316 L319F270-L312 HydrophobicContact CE1-CD1 3.86Å; F270-L312 HydrophobicContact CZ-CD1 3.68Å; L278-L312 HydrophobicContact CD2-CD2 4.39Å; E281-L312 VanDerWaalsContact CD-CD2 3.5Å; E281-L312 HydrophobicContact CG-CD2 4.22Å; E281-L312 WeakPolarHBondContact OE1-CD2 3.46Å; M282-L312 HydrophobicContact CB-CD1 3.76Å; M282-L312 HydrophobicContact CG-CD1 4.35Å; A308-L312 WeakPolarHBondContact O-CG 3.5Å; A308-L312 PolarHBondContact O-N 3.07Å; A308-L312 VanDerWaalsContact O-N 3.08Å; Y309-L312 PolarHBondContact O-N 3.01Å; L312-A314 VanDerWaalsContact C-N 3.25Å; L312-A314 PolarHBondContact O-N 3.02Å; L312-N315 PolarHBondContact O-N 3.43Å; L312-N315 VanDerWaalsContact O-N 3.15Å; L312-D316 PolarHBondContact O-N 3.1Å; L312-L319 HydrophobicContact CB-CD1 4.05Å
313C97.6Very high96.7Very high16 Ų1649 Ų4911%0.10828%0.278CS..Hα-helixtrans-65.8-27.4175.9-65.50000113.1Y309 A310 H311 N315 D316 P317Y309-C313 VanDerWaalsContact CE1-SG 3.59Å; Y309-C313 PolarHBondContact O-N 3.3Å; Y309-C313 PolarHBondContact O-SG 3.44Å; A310-C313 PolarHBondContact O-N 3.03Å; H311-C313 VanDerWaalsContact C-N 3.34Å; H311-C313 PolarHBondContact O-N 3Å; C313-N315 VanDerWaalsContact C-N 3.3Å; C313-D316 CarbonylContact O-C 3.54Å; C313-P317 WeakPolarHBondContact O-CA 3.26Å
314A96.5Very high96.4Very high76 Ų7645.9 Ų45.963%0.62827%0.266SS*.Hα-helixtrans-70.1-30.7174.800000111.9A310 H311 L312A310-A314 PolarHBondContact O-N 3.32Å; H311-A314 WeakPolarHBondContact O-CB 3.36Å; H311-A314 PolarHBondContact O-N 3.28Å; H311-A314 VanDerWaalsContact O-N 3.16Å; L312-A314 VanDerWaalsContact C-N 3.25Å; L312-A314 PolarHBondContact O-N 3.02Å
315N94.9Very high96Very high108 Ų10851.3 Ų51.358%0.57828%0.281SS*.Hα-helixtrans-82.2-35.1176.4-61.6-22.2000112.2H311 L312 C313H311-N315 PolarHBondContact NE2-ND2 3.27Å; H311-N315 PolarHBondContact O-N 3.34Å; L312-N315 PolarHBondContact O-N 3.43Å; L312-N315 VanDerWaalsContact O-N 3.15Å; C313-N315 VanDerWaalsContact C-N 3.3Å
316D94.3Very high95.7Very high59 Ų5956 Ų5632%0.31630%0.303SS..  trans-134.598.6172.6178.711.2000111.1L312 C313 N318 L319L312-D316 PolarHBondContact O-N 3.1Å; C313-D316 CarbonylContact O-C 3.54Å; D316-N318 PolarHBondContact O-N 3.23Å; D316-N318 VanDerWaalsContact O-N 3.13Å; D316-N318 VanDerWaalsContact OD1-CB 3.29Å; D316-N318 WeakPolarHBondContact OD1-CB 3.24Å; D316-N318 PolarHBondContact OD1-N 3.13Å; D316-N318 PolarHBondContact OD1-ND2 3.44Å; D316-L319 HydrophobicContact CB-CD1 4.05Å; D316-L319 HydrophobicContact CB-CG 3.93Å; D316-L319 WeakPolarHBondContact O-CB 3.49Å; D316-L319 WeakPolarHBondContact O-CG 3.42Å; D316-L319 PolarHBondContact O-N 3.33Å; D316-L319 VanDerWaalsContact O-N 3.12Å
317P90.3Very high95.3Very high92 Ų9257.9 Ų57.960%0.59731%0.312SS*.THydrogen-bonded Turntrans-59.8-22.6179.2-27.436.3000114.6C313 L319 F320C313-P317 WeakPolarHBondContact O-CA 3.26Å; P317-L319 PolarHBondContact O-N 3.28Å; P317-F320 PolarHBondContact O-N 2.94Å
318N94.1Very high94.9Very high111 Ų11159.3 Ų59.359%0.59432%0.319SS*.Hα-helixtrans-68.1-21.2179.3-59-59000112.3D316 F320 S321 Y322D316-N318 PolarHBondContact O-N 3.23Å; D316-N318 VanDerWaalsContact O-N 3.13Å; D316-N318 VanDerWaalsContact OD1-CB 3.29Å; D316-N318 WeakPolarHBondContact OD1-CB 3.24Å; D316-N318 PolarHBondContact OD1-N 3.13Å; D316-N318 PolarHBondContact OD1-ND2 3.44Å; N318-F320 PolarHBondContact O-N 3.18Å; N318-S321 PolarHBondContact O-N 3.39Å; N318-S321 PolarHBondContact O-OG 2.55Å; N318-S321 VanDerWaalsContact O-OG 3.07Å; N318-Y322 PolarHBondContact O-N 2.99Å
319L95.6Very high94.6Very high3 Ų366.2 Ų66.22%0.01634%0.343CS..Hα-helixtrans-61.7-33.7176.4-64.4-178.8000112K249 F270 P271 L278 Y309 L312 D316 P317K249-L319 PolarHBondContact NZ-O 2.7Å; F270-L319 HydrophobicContact CD1-CD1 4.44Å; F270-L319 HydrophobicContact CD1-CD2 4.14Å; F270-L319 HydrophobicContact CE1-CD1 4.31Å; P271-L319 HydrophobicContact CG-CD2 4.47Å; L278-L319 HydrophobicContact CD1-CD1 4.16Å; L278-L319 HydrophobicContact CD1-CD2 4Å; Y309-L319 PolarHBondContact OH-O 3.43Å; L312-L319 HydrophobicContact CB-CD1 4.05Å; D316-L319 HydrophobicContact CB-CD1 4.05Å; D316-L319 HydrophobicContact CB-CG 3.93Å; D316-L319 WeakPolarHBondContact O-CB 3.49Å; D316-L319 WeakPolarHBondContact O-CG 3.42Å; D316-L319 PolarHBondContact O-N 3.33Å; D316-L319 VanDerWaalsContact O-N 3.12Å; P317-L319 PolarHBondContact O-N 3.28Å
320F96.1Very high94.2Very high92 Ų9271.7 Ų71.740%0.40437%0.372SS..Hα-helixtrans-73-32.8-179.1-173.4-111.5000112.7K245 L246 K249 Y309 P317 N318K245-F320 HydrophobicContact CB-CZ 3.97Å; L246-F320 HydrophobicContact CB-CE2 4.15Å; K249-F320 HydrophobicContact CD-CD2 4.27Å; K249-F320 HydrophobicContact CD-CE2 4.31Å; K249-F320 PolarHBondContact NZ-O 3.48Å; Y309-F320 HydrophobicContact CE1-CD2 4.41Å; P317-F320 PolarHBondContact O-N 2.94Å; N318-F320 PolarHBondContact O-N 3.18Å
321S94.8Very high93.7Very high92 Ų9274 Ų7464%0.64338%0.378SS*.Hα-helixtrans-84.7-17.6175.957.50000113.5N318 D323N318-S321 PolarHBondContact O-N 3.39Å; N318-S321 PolarHBondContact O-OG 2.55Å; N318-S321 VanDerWaalsContact O-OG 3.07Å; S321-D323 PolarHBondContact O-N 3.19Å
322Y96.3Very high93Very high33 Ų3375 Ų7513%0.12938%0.383CS..  trans-56.8132.8179.4171.3-102.5000113.5K249 M268 L269 F270 P271 R275 N318 F324 E327K249-Y322 WeakPolarHBondContact CE-O 3.47Å; K249-Y322 PolarHBondContact NZ-O 3.41Å; M268-Y322 WeakPolarHBondContact O-CE1 3.27Å; L269-Y322 VanDerWaalsContact O-CD1 3.26Å; L269-Y322 WeakPolarHBondContact O-CD1 3.26Å; F270-Y322 WeakPolarHBondContact O-CE1 3.3Å; F270-Y322 PolarHBondContact O-OH 3.32Å; F270-Y322 VanDerWaalsContact O-OH 3.13Å; P271-Y322 HydrophobicContact CB-CD2 4.38Å; P271-Y322 HydrophobicContact CB-CE2 4.04Å; P271-Y322 HydrophobicContact CG-CD2 3.79Å; P271-Y322 HydrophobicContact CG-CE2 3.94Å; P271-Y322 HydrophobicContact CG-CG 4.14Å; R275-Y322 PolarHBondContact NH2-OH 3.08Å; N318-Y322 PolarHBondContact O-N 2.99Å; Y322-F324 HydrophobicContact CE1-CB 3.93Å; Y322-F324 WeakPolarHBondContact OH-CA 3.11Å; Y322-F324 VanDerWaalsContact OH-CB 3.3Å; Y322-F324 WeakPolarHBondContact OH-CB 3.3Å; Y322-E327 HydrophobicContact CE2-CB 4.23Å; Y322-E327 PolarHBondContact OH-OE2 3.24Å
323D94.1Very high92.4Very high55 Ų5579.2 Ų79.229%0.29441%0.405SS..  trans-128.2114.9170.1-169-21.6000110.1S321 R325 E326 E327S321-D323 PolarHBondContact O-N 3.19Å; D323-R325 PolarHBondContact O-N 2.78Å; D323-R325 VanDerWaalsContact O-N 3.11Å; D323-R325 WeakPolarHBondContact OD1-CB 3.32Å; D323-R325 WeakPolarHBondContact OD1-CG 3.39Å; D323-R325 PolarHBondContact OD1-N 3.21Å; D323-E326 HydrophobicContact CB-CG 4.37Å; D323-E326 PolarHBondContact O-N 3.16Å; D323-E326 VanDerWaalsContact O-N 3.16Å; D323-E327 PolarHBondContact O-N 2.98Å
324F92.8Very high91.3Very high28 Ų2880.1 Ų80.112%0.12342%0.417CS..Hα-helixtrans-60.3-22.2-18078.3-87.2000113.6Q256 M268 Y322 L328Q256-F324 VanDerWaalsContact NE2-CZ 3.26Å; M268-F324 HydrophobicContact CB-CD1 3.79Å; M268-F324 HydrophobicContact CB-CE1 4.14Å; M268-F324 HydrophobicContact CB-CG 4.09Å; M268-F324 HydrophobicContact SD-CD2 3.85Å; M268-F324 HydrophobicContact SD-CE2 4.2Å; M268-F324 HydrophobicContact SD-CG 4.08Å; Y322-F324 HydrophobicContact CE1-CB 3.93Å; Y322-F324 WeakPolarHBondContact OH-CA 3.11Å; Y322-F324 VanDerWaalsContact OH-CB 3.3Å; Y322-F324 WeakPolarHBondContact OH-CB 3.3Å; F324-L328 WeakPolarHBondContact O-CB 3.36Å; F324-L328 PolarHBondContact O-N 3.4Å
325R91.1Very high90.1Very high143 Ų14384.9 Ų84.954%0.5442%0.419SS..Hα-helixtrans-71.3-37.7178.8-63.9177.5179.6174.2-1.4111.8D323 L328 R329D323-R325 PolarHBondContact O-N 2.78Å; D323-R325 VanDerWaalsContact O-N 3.11Å; D323-R325 WeakPolarHBondContact OD1-CB 3.32Å; D323-R325 WeakPolarHBondContact OD1-CG 3.39Å; D323-R325 PolarHBondContact OD1-N 3.21Å; R325-L328 PolarHBondContact O-N 2.6Å; R325-R329 WeakPolarHBondContact O-CB 3.35Å; R325-R329 PolarHBondContact O-N 3.42Å
326E91.4Very high88.5Confident99 Ų9984.6 Ų84.646%0.46342%0.418SS..Hα-helixtrans-68.2-41.8175.8-68.2-55.1117.700110.5D323 L328 R329 L330D323-E326 HydrophobicContact CB-CG 4.37Å; D323-E326 PolarHBondContact O-N 3.16Å; D323-E326 VanDerWaalsContact O-N 3.16Å; E326-L328 VanDerWaalsContact C-N 3.32Å; E326-L328 PolarHBondContact O-N 3.11Å; E326-R329 PolarHBondContact O-N 3.09Å; E326-L330 WeakPolarHBondContact O-CG 3.41Å; E326-L330 PolarHBondContact O-N 3.36Å
327E92.1Very high86.5Confident39 Ų3988.3 Ų88.318%0.18243%0.433CS..Hα-helixtrans-58.2-45.1172.5-174.7-174.2-168.400111.6E272 R275 Y322 D323 L330 K331E272-E327 WeakPolarHBondContact CB-OE1 3.42Å; E272-E327 PolarHBondContact N-OE1 3.18Å; E272-E327 PolarHBondContact N-OE2 3.12Å; R275-E327 IonicContact NH2-OE2 2.78Å; R275-E327 PolarHBondContact NH2-OE2 2.94Å; R275-E327 VanDerWaalsContact NH2-OE2 3.08Å; Y322-E327 HydrophobicContact CE2-CB 4.23Å; Y322-E327 PolarHBondContact OH-OE2 3.24Å; D323-E327 PolarHBondContact O-N 2.98Å; E327-L330 PolarHBondContact O-N 3.05Å; E327-K331 VanDerWaalsContact CD-NZ 3.34Å; E327-K331 WeakPolarHBondContact O-CG 3.49Å; E327-K331 PolarHBondContact O-N 3.19Å; E327-K331 VanDerWaalsContact O-N 3.14Å; E327-K331 IonicContact OE1-NZ 3.09Å; E327-K331 PolarHBondContact OE1-NZ 2.88Å
328L89.9Confident84.7Confident92 Ų9290.4 Ų90.448%0.48243%0.434SS..Hα-helixtrans-64.7-41.5178.2-170.866.7000111.7F324 R325 E326 K331 H332F324-L328 WeakPolarHBondContact O-CB 3.36Å; F324-L328 PolarHBondContact O-N 3.4Å; R325-L328 PolarHBondContact O-N 2.6Å; E326-L328 VanDerWaalsContact C-N 3.32Å; E326-L328 PolarHBondContact O-N 3.11Å; L328-K331 PolarHBondContact O-N 3.13Å; L328-H332 PolarHBondContact O-N 3.41Å; L328-H332 VanDerWaalsContact O-N 3.13Å; L328-H332 PolarHBondContact O-ND1 3.39Å
329R91.5Very high82.6Confident152 Ų15289.4 Ų89.457%0.57443%0.432SS*.Hα-helixtrans-60.5-47.6176.8176-173.1157.2148.1-0.7111.4R325 E326 K331 H332 L333R325-R329 WeakPolarHBondContact O-CB 3.35Å; R325-R329 PolarHBondContact O-N 3.42Å; E326-R329 PolarHBondContact O-N 3.09Å; R329-K331 VanDerWaalsContact C-N 3.31Å; R329-K331 PolarHBondContact O-N 2.78Å; R329-H332 PolarHBondContact O-N 3.14Å; R329-L333 HydrophobicContact CG-CD1 4.24Å; R329-L333 PolarHBondContact O-N 3.46Å
330L89.8Confident80.3Confident115 Ų11591.7 Ų91.760%0.60245%0.449SS*.Hα-helixtrans-61.7-39179.2-70.9170.9000111.9E326 E327 L333 G334E326-L330 WeakPolarHBondContact O-CG 3.41Å; E326-L330 PolarHBondContact O-N 3.36Å; E327-L330 PolarHBondContact O-N 3.05Å; L330-L333 PolarHBondContact O-N 3.34Å; L330-G334 PolarHBondContact O-N 3.05Å
331K88.1Confident78.1Confident67 Ų6791.6 Ų91.629%0.29146%0.455SS..Hα-helixtrans-63.4-40.2174.3-75.5173.8-179.5152.60113.1E272 E327 L328 R329 G334 R335E272-K331 WeakPolarHBondContact OE2-CE 3.45Å; E272-K331 IonicContact OE2-NZ 2.6Å; E272-K331 PolarHBondContact OE2-NZ 3.48Å; E327-K331 VanDerWaalsContact CD-NZ 3.34Å; E327-K331 WeakPolarHBondContact O-CG 3.49Å; E327-K331 PolarHBondContact O-N 3.19Å; E327-K331 VanDerWaalsContact O-N 3.14Å; E327-K331 IonicContact OE1-NZ 3.09Å; E327-K331 PolarHBondContact OE1-NZ 2.88Å; L328-K331 PolarHBondContact O-N 3.13Å; R329-K331 VanDerWaalsContact C-N 3.31Å; R329-K331 PolarHBondContact O-N 2.78Å; K331-G334 PolarHBondContact O-N 3.07Å; K331-R335 WeakPolarHBondContact O-CB 3.49Å; K331-R335 WeakPolarHBondContact O-CG 3.35Å; K331-R335 PolarHBondContact O-N 3.45Å
332H85Confident75.9Confident99 Ų9991.7 Ų91.746%0.45845%0.448SS..Hα-helixtrans-65.5-41.4176.3-76.681.2000111.6L328 R329 R335 N336L328-H332 PolarHBondContact O-N 3.41Å; L328-H332 VanDerWaalsContact O-N 3.13Å; L328-H332 PolarHBondContact O-ND1 3.39Å; R329-H332 PolarHBondContact O-N 3.14Å; H332-R335 PolarHBondContact O-N 3.29Å; H332-N336 VanDerWaalsContact O-CG 3.29Å; H332-N336 PolarHBondContact O-N 2.92Å
333L84.2Confident73.6Confident92 Ų9293.4 Ų93.448%0.48247%0.469SS..Hα-helixtrans-63.7-43.4175.3-70.1168.8000112R329 L330 N336 H337R329-L333 HydrophobicContact CG-CD1 4.24Å; R329-L333 PolarHBondContact O-N 3.46Å; L330-L333 PolarHBondContact O-N 3.34Å; L333-N336 PolarHBondContact O-N 2.98Å; L333-H337 PolarHBondContact O-N 3.47Å
334G74.6Confident71.4Confident36 Ų3699.2 Ų99.237%0.37149%0.493SS..Hα-helixtrans-64.1-39.7177.300000113.5L330 K331 H337 H338L330-G334 PolarHBondContact O-N 3.05Å; K331-G334 PolarHBondContact O-N 3.07Å; G334-H337 PolarHBondContact O-N 3.32Å; G334-H338 PolarHBondContact O-N 2.68Å; G334-H338 VanDerWaalsContact O-N 3.07Å
335R71.4Confident69.4Low176 Ų176106 Ų10666%0.66452%0.522SS*.Hα-helixtrans-64-42.4173.9-75.6178.3-179.6-176.9-0.8112.1K331 H332 H337 H338 T339K331-R335 WeakPolarHBondContact O-CB 3.49Å; K331-R335 WeakPolarHBondContact O-CG 3.35Å; K331-R335 PolarHBondContact O-N 3.45Å; H332-R335 PolarHBondContact O-N 3.29Å; R335-H337 VanDerWaalsContact C-N 3.31Å; R335-H337 PolarHBondContact O-N 2.91Å; R335-H338 PolarHBondContact O-N 3.01Å; R335-T339 PolarHBondContact O-N 3.4Å; R335-T339 PolarHBondContact O-OG1 3.23Å; R335-T339 VanDerWaalsContact O-OG1 3.12Å
336N61.4Low67.3Low102 Ų102107.4 Ų107.455%0.54554%0.535SS..Hα-helixtrans-66.9-31.5178.8-72.5-4.1000112.7H332 L333 T339 S340H332-N336 VanDerWaalsContact O-CG 3.29Å; H332-N336 PolarHBondContact O-N 2.92Å; L333-N336 PolarHBondContact O-N 2.98Å; N336-T339 VanDerWaalsContact CA-OG1 3.29Å; N336-T339 WeakPolarHBondContact CA-OG1 3.31Å; N336-T339 PolarHBondContact O-OG1 2.99Å; N336-S340 PolarHBondContact O-N 3.05Å; N336-S340 PolarHBondContact O-OG 3.43Å
337H52.9Low65.2Low136 Ų136110.3 Ų110.363%0.6355%0.55SS**Hα-helixtrans-72.5-38.8172.2-94.9-8.7000113.3L333 G334 R335 S340 V341L333-H337 PolarHBondContact O-N 3.47Å; G334-H337 PolarHBondContact O-N 3.32Å; R335-H337 VanDerWaalsContact C-N 3.31Å; R335-H337 PolarHBondContact O-N 2.91Å; H337-S340 WeakPolarHBondContact CA-OG 3.42Å; H337-S340 PolarHBondContact O-N 3.12Å; H337-S340 PolarHBondContact O-OG 3.24Å; H337-V341 VanDerWaalsContact O-CG2 3.31Å; H337-V341 WeakPolarHBondContact O-CG2 3.4Å; H337-V341 PolarHBondContact O-N 3.28Å; H337-V341 VanDerWaalsContact O-N 3.08Å
338H50.7Low63.1Low136 Ų136114.4 Ų114.463%0.6358%0.58SS**Hα-helixtrans-64.9-41.4173.3-84.437.2000112G334 R335 S340 V341 D342G334-H338 PolarHBondContact O-N 2.68Å; G334-H338 VanDerWaalsContact O-N 3.07Å; R335-H338 PolarHBondContact O-N 3.01Å; H338-S340 VanDerWaalsContact C-N 3.26Å; H338-S340 PolarHBondContact O-N 3.08Å; H338-V341 PolarHBondContact O-N 3.37Å; H338-D342 PolarHBondContact O-N 3.27Å
339T50.4Low61.4Low90 Ų90115.5 Ų115.555%0.55260%0.596SS**Hα-helixtrans-65-26.7176480000114.1R335 N336 A343R335-T339 PolarHBondContact O-N 3.4Å; R335-T339 PolarHBondContact O-OG1 3.23Å; R335-T339 VanDerWaalsContact O-OG1 3.12Å; N336-T339 VanDerWaalsContact CA-OG1 3.29Å; N336-T339 WeakPolarHBondContact CA-OG1 3.31Å; N336-T339 PolarHBondContact O-OG1 2.99Å; T339-A343 WeakPolarHBondContact O-CB 3.29Å; T339-A343 PolarHBondContact O-N 3.34Å
340S47.8Very low59.7Low52 Ų52112.5 Ų112.536%0.36460%0.603SS.*Hα-helixtrans-84-29.8176.431.20000112.8N336 H337 H338 F344N336-S340 PolarHBondContact O-N 3.05Å; N336-S340 PolarHBondContact O-OG 3.43Å; H337-S340 WeakPolarHBondContact CA-OG 3.42Å; H337-S340 PolarHBondContact O-N 3.12Å; H337-S340 PolarHBondContact O-OG 3.24Å; H338-S340 VanDerWaalsContact C-N 3.26Å; H338-S340 PolarHBondContact O-N 3.08Å; S340-F344 WeakPolarHBondContact O-CD2 3.42Å
341V49.7Very low57.8Low90 Ų90113 Ų11355%0.54561%0.613SS.*Hα-helixtrans-75.9-34.4174.5177.90000111.8H337 H338 F344H337-V341 VanDerWaalsContact O-CG2 3.31Å; H337-V341 WeakPolarHBondContact O-CG2 3.4Å; H337-V341 PolarHBondContact O-N 3.28Å; H337-V341 VanDerWaalsContact O-N 3.08Å; H338-V341 PolarHBondContact O-N 3.37Å; V341-F344 PolarHBondContact O-N 3.39Å
342D48.4Very low55.8Low93 Ų93118.8 Ų118.850%0.49764%0.641SS.*Hα-helixtrans-73.2-31.2176.2-69.7-30000112.4H338 F344 K345H338-D342 PolarHBondContact O-N 3.27Å; D342-F344 PolarHBondContact O-N 3.12Å; D342-K345 PolarHBondContact O-N 3.28Å; D342-K345 VanDerWaalsContact O-N 3.12Å
343A49.2Very low54.3Low69 Ų69120 Ų12057%0.5766%0.658SS**THydrogen-bonded Turntrans-66.8-19.2173.500000114.1T339T339-A343 WeakPolarHBondContact O-CB 3.29Å; T339-A343 PolarHBondContact O-N 3.34Å
344F47.4Very low52.4Low178 Ų178125.5 Ų125.578%0.78170%0.702SS**THydrogen-bonded Turntrans-87.2-7.2173.9-92.7-82.4000113.7S340 V341 D342S340-F344 WeakPolarHBondContact O-CD2 3.42Å; V341-F344 PolarHBondContact O-N 3.39Å; D342-F344 PolarHBondContact O-N 3.12Å
345K50.4Low51.3Low170 Ų170130 Ų13074%0.73972%0.718SS**SBendtrans-95.7-7178.8-82.4-178.2176.5175.50114.5D342D342-K345 PolarHBondContact O-N 3.28Å; D342-K345 VanDerWaalsContact O-N 3.12Å
346E47.9Very low50.3Low173 Ų173127.5 Ų127.581%0.80872%0.721SS**  trans-11348178.6-69.5-170.9164.200113
347M47.1Very low49.6Very low160 Ų160128.9 Ų128.979%0.78873%0.731SS**PPolyproline II helixtrans-99.6119.6161.7-77.4-170.4119.800109.5S349M347-S349 PolarHBondContact O-N 3.38Å
348P47.7Very low49.4Very low124 Ų124128.5 Ų128.581%0.80574%0.737SS**PPolyproline II helixtrans-67.1134.5176.824.9-29.2000110.4A350P348-A350 PolarHBondContact O-N 3.48Å
349S54.7Low49.4Very low116 Ų116128.1 Ų128.181%0.81174%0.743SS**PPolyproline II helixtrans-52.9126.6174.450.10000111.2M347M347-S349 PolarHBondContact O-N 3.38Å
350A53.9Low49.3Very low89 Ų89130.6 Ų130.674%0.73676%0.756SS**PPolyproline II helixtrans-59142.1176.100000111.6P348P348-A350 PolarHBondContact O-N 3.48Å
351P51.7Low49.4Very low124 Ų124136.2 Ų136.281%0.80578%0.784SS**PPolyproline II helixtrans-72.2138.2178.928.4-31.1000111.2
352Q44.7Very low49.4Very low189 Ų189139.8 Ų139.888%0.88380%0.803SS**PPolyproline II helixtrans-67.2139.2175.8-74.2-175.3-30.500111.3
353P54.5Low49.5Very low126 Ų126143.7 Ų143.782%0.81883%0.828SS**PPolyproline II helixtrans-83.1140.7175.731.9-30.5000111.9
354C44.3Very low49.5Very low206 Ų206150.5 Ų150.5100%1.39285%0.852SS**  trans-74.50162.1-79.90000111.5

Retrieved 354 of 354 residues in 1134 ms (Link to these results)

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