A0A3B3V0W2_9TELE Loading...

non-specific serine/threonine protein kinase

Casein kinases are operationally defined by their preferential utilization of acidic proteins such as caseins as substrates. Central component of the circadian clock. May act as a negative regulator of circadian rhythmicity by phosphorylating per1 and per2, which may lead to their degradation. Participates in wnt signaling.

AlphaFold DB , UniProt , Accession A0A3B3V0W2, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 439 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	38.8	Very low	36.4	Very low	241 Å²	241	166.9 Å²	166.9	100%	1.187	87%	0.87	S	S	*	*				0	131.5	0	-73.2	170.5	168.7	0	0	107.8
2	V	35.7	Very low	36.5	Very low	142 Å²	142	172.8 Å²	172.8	86%	0.861	87%	0.872	S	S	*	*			trans	-140.7	126.4	173.7	179.5	0	0	0	0	106.2
3	L	33.6	Very low	36.6	Very low	155 Å²	155	173.5 Å²	173.5	81%	0.812	87%	0.871	S	S	*	*			trans	-141.4	108.1	179.8	-76.5	176.8	0	0	0	111.2
4	T	35.4	Very low	36.7	Very low	116 Å²	116	170.6 Å²	170.6	71%	0.712	87%	0.866	S	S	*	*			trans	43.8	103.5	141.5	59.3	0	0	0	0	118.7
5	E	34.1	Very low	36.6	Very low	199 Å²	199	172 Å²	172	93%	0.93	86%	0.864	S	S	*	*			trans	-63.4	154	148.1	-65.8	-176.5	114.2	0	0	110.5
6	T	37.4	Very low	37.1	Very low	127 Å²	127	176 Å²	176	78%	0.779	87%	0.865	S	S	*	*			trans	-125.7	103.3	178.5	32.3	0	0	0	0	110.7
7	E	36.3	Very low	37.2	Very low	194 Å²	194	172.4 Å²	172.4	91%	0.907	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-63.9	136.3	173.5	-67.2	-166	120.3	0	0	111.2
8	R	37.8	Very low	37.4	Very low	232 Å²	232	166.8 Å²	166.8	88%	0.875	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-90.2	126.5	170.6	-63.6	-177.2	-175.7	179.7	2.2	109.2	Q10	R8-Q10 PolarHBondContact O-N 3.34Å
9	P	38.1	Very low	37.9	Very low	127 Å²	127	163.1 Å²	163.1	83%	0.825	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-65.6	126.6	176	26.9	-33.5	0	0	0	110.3	S11	P9-S11 PolarHBondContact O-N 3.26Å
10	Q	35.8	Very low	38.6	Very low	187 Å²	187	163.7 Å²	163.7	87%	0.874	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-63.3	124.6	173.4	-68.5	-177.6	-3.7	0	0	110.1	R8 R12	R8-Q10 PolarHBondContact O-N 3.34Å; Q10-R12 PolarHBondContact O-N 3.44Å
11	S	37.9	Very low	39.9	Very low	116 Å²	116	159.7 Å²	159.7	81%	0.811	83%	0.829	S	S	*	*			trans	-67.6	98.6	176.4	54.4	0	0	0	0	110.3	P9 E13	P9-S11 PolarHBondContact O-N 3.26Å; S11-E13 PolarHBondContact O-N 3.07Å
12	R	37.6	Very low	41.9	Very low	238 Å²	238	153.7 Å²	153.7	90%	0.898	80%	0.802	S	S	*	*			trans	-57.5	111.9	170.8	-75.5	-178	171.6	178.9	-2.5	109.4	Q10 V14	Q10-R12 PolarHBondContact O-N 3.44Å; R12-V14 PolarHBondContact O-N 3.41Å
13	E	36.8	Very low	44.3	Very low	182 Å²	182	153.1 Å²	153.1	85%	0.85	78%	0.784	S	S	*	*			trans	-59.3	111.1	165.7	-78.8	-161	124	0	0	109	S11 K15	S11-E13 PolarHBondContact O-N 3.07Å; E13-K15 VanDerWaalsContact C-N 3.26Å; E13-K15 PolarHBondContact O-N 3.31Å
14	V	38.2	Very low	46.8	Very low	133 Å²	133	146 Å²	146	81%	0.806	75%	0.747	S	S	*	*			trans	-69.6	92.2	167.3	-179.4	0	0	0	0	106.8	R12 R16	R12-V14 PolarHBondContact O-N 3.41Å; V14-R16 PolarHBondContact O-N 2.88Å
15	K	36.1	Very low	49.2	Very low	191 Å²	191	141.5 Å²	141.5	83%	0.83	72%	0.723	S	S	*	*			trans	-48.8	108.3	165.3	-79.4	-176.2	176.2	177.3	0	107.3	E13 S17	E13-K15 VanDerWaalsContact C-N 3.26Å; E13-K15 PolarHBondContact O-N 3.31Å; K15-S17 PolarHBondContact O-N 3.01Å; K15-S17 VanDerWaalsContact O-N 3.09Å
16	R	43.5	Very low	51.7	Low	236 Å²	236	138.9 Å²	138.9	89%	0.891	72%	0.716	S	S	*	*			trans	-51.5	122.2	171.3	-86.9	-179.3	162.9	171.5	-4.4	107.2	V14 G18	V14-R16 PolarHBondContact O-N 2.88Å; R16-G18 PolarHBondContact O-N 2.73Å
17	S	39.9	Very low	54.4	Low	115 Å²	115	139.2 Å²	139.2	80%	0.804	71%	0.706	S	S	*	*			trans	-50.9	129.2	172.1	42.2	0	0	0	0	108.1	K15 A19	K15-S17 PolarHBondContact O-N 3.01Å; K15-S17 VanDerWaalsContact O-N 3.09Å; S17-A19 PolarHBondContact O-N 2.98Å
18	G	39.8	Very low	57.2	Low	71 Å²	71	130.9 Å²	130.9	73%	0.732	67%	0.667	S	S	*	*			trans	-59.6	107.3	-174.4	0	0	0	0	0	109.5	R16 M20	R16-G18 PolarHBondContact O-N 2.73Å; G18-M20 PolarHBondContact O-N 2.98Å
19	A	47.2	Very low	60	Low	96 Å²	96	124.6 Å²	124.6	79%	0.793	64%	0.643	S	S	*	*			trans	-56.6	117.3	169.9	0	0	0	0	0	106.7	S17 E21	S17-A19 PolarHBondContact O-N 2.98Å; A19-E21 PolarHBondContact O-N 3.11Å
20	M	52.4	Low	62.7	Low	176 Å²	176	120 Å²	120	87%	0.867	61%	0.611	S	S	*	*			trans	-55.7	115.4	-174.8	-68.1	-170.4	-169	0	0	108.6	G18 L22	G18-M20 PolarHBondContact O-N 2.98Å; M20-L22 PolarHBondContact O-N 3.13Å
21	E	66.1	Low	65.5	Low	80 Å²	80	113 Å²	113	37%	0.374	59%	0.59	S	S	.	*			trans	-68.5	99.2	179	-175.8	176.6	-86.1	0	0	107.5	A19 R23 R29	A19-E21 PolarHBondContact O-N 3.11Å; E21-R23 WeakPolarHBondContact O-CG 3.29Å; E21-R23 PolarHBondContact O-N 2.91Å; E21-R23 VanDerWaalsContact O-N 3.08Å; E21-R23 IonicContact OE2-CZ 3.26Å; E21-R23 VanDerWaalsContact OE2-CZ 3.26Å; E21-R23 IonicContact OE2-NE 2.91Å; E21-R23 PolarHBondContact OE2-NE 2.74Å; E21-R23 IonicContact OE2-NH2 2.74Å; E21-R23 PolarHBondContact OE2-NH2 3.35Å; E21-R29 VanDerWaalsContact CD-NH2 3.26Å; E21-R29 HydrophobicContact CG-CG 4.01Å; E21-R29 IonicContact OE1-CZ 3.51Å; E21-R29 IonicContact OE1-NE 3.07Å; E21-R29 PolarHBondContact OE1-NE 2.74Å; E21-R29 IonicContact OE1-NH2 3.04Å; E21-R29 PolarHBondContact OE1-NH2 3.07Å; E21-R29 IonicContact OE2-CZ 2.63Å; E21-R29 IonicContact OE2-NE 2.76Å; E21-R29 PolarHBondContact OE2-NE 3.41Å; E21-R29 VanDerWaalsContact OE2-NE 3.07Å; E21-R29 IonicContact OE2-NH2 3.13Å; E21-R29 PolarHBondContact OE2-NH2 3.39Å
22	L	79.4	Confident	68.2	Low	115 Å²	115	115.5 Å²	115.5	60%	0.602	58%	0.581	S	S	*	*			trans	-60.2	115.5	-178	-72	173.9	0	0	0	109	M20 L30	M20-L22 PolarHBondContact O-N 3.13Å; L22-L30 HydrophobicContact CB-CB 3.95Å; L22-L30 HydrophobicContact CB-CD2 4.16Å; L22-L30 HydrophobicContact CD1-CD2 4.04Å; L22-L30 WeakPolarHBondContact O-CB 3.46Å; L22-L30 PolarHBondContact O-N 3.25Å
23	R	86.8	Confident	70.9	Confident	129 Å²	129	108.9 Å²	108.9	49%	0.487	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.5	147.8	-178.4	-74.6	172.2	-177	-177.6	2.5	109.8	E21 Y28 I48	E21-R23 WeakPolarHBondContact O-CG 3.29Å; E21-R23 PolarHBondContact O-N 2.91Å; E21-R23 VanDerWaalsContact O-N 3.08Å; E21-R23 IonicContact OE2-CZ 3.26Å; E21-R23 VanDerWaalsContact OE2-CZ 3.26Å; E21-R23 IonicContact OE2-NE 2.91Å; E21-R23 PolarHBondContact OE2-NE 2.74Å; E21-R23 IonicContact OE2-NH2 2.74Å; E21-R23 PolarHBondContact OE2-NH2 3.35Å; R23-Y28 CarbonylContact C-O 3.53Å; R23-Y28 VanDerWaalsContact CA-O 3.3Å; R23-Y28 WeakPolarHBondContact CA-O 3.49Å; R23-I48 HydrophobicContact CG-CD1 3.95Å
24	V	87.1	Confident	73.6	Confident	7 Å²	7	104 Å²	104	4%	0.042	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.1	-175.7	169	0	0	0	0	108.5	N26 K27 Y28 W89 E93 V98 V100	V24-N26 PolarHBondContact O-N 2.83Å; V24-N26 VanDerWaalsContact O-N 3.13Å; V24-K27 PolarHBondContact O-N 3.05Å; V24-K27 VanDerWaalsContact O-N 3.11Å; V24-Y28 PolarHBondContact N-O 3.39Å; V24-Y28 PolarHBondContact O-N 3.5Å; V24-W89 HydrophobicContact CG1-CE3 3.87Å; V24-W89 HydrophobicContact CG1-CH2 4.31Å; V24-W89 HydrophobicContact CG1-CZ3 3.42Å; V24-W89 VanDerWaalsContact CG1-CZ3 3.42Å; V24-E93 WeakPolarHBondContact CA-OE2 3.3Å; V24-V98 HydrophobicContact CG1-CB 4.21Å; V24-V98 HydrophobicContact CG1-CG1 3.49Å; V24-V98 VanDerWaalsContact CG1-CG1 3.49Å; V24-V98 HydrophobicContact CG2-CG1 4.41Å; V24-V100 HydrophobicContact CG1-CG2 4.2Å
25	G	84.6	Confident	76	Confident	20 Å²	20	99 Å²	99	21%	0.206	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	26.1	-179.7	0	0	0	0	0	113.5	K27 E93	G25-K27 WeakPolarHBondContact O-CG 3.41Å; G25-K27 PolarHBondContact O-N 3.46Å; G25-E93 PolarHBondContact N-OE2 2.99Å
26	N	87.3	Confident	78.4	Confident	145 Å²	145	93.3 Å²	93.3	78%	0.775	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	13.2	-170.3	-70.4	-42.1	0	0	0	116.2	V24	V24-N26 PolarHBondContact O-N 2.83Å; V24-N26 VanDerWaalsContact O-N 3.13Å
27	K	93.3	Very high	79.8	Confident	134 Å²	134	83.3 Å²	83.3	58%	0.583	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.2	-26.1	-172.9	-71.2	179.3	-179.3	-177.1	0	114.2	V24 G25 I48	V24-K27 PolarHBondContact O-N 3.05Å; V24-K27 VanDerWaalsContact O-N 3.11Å; G25-K27 WeakPolarHBondContact O-CG 3.41Å; G25-K27 PolarHBondContact O-N 3.46Å; K27-I48 WeakPolarHBondContact O-CG1 3.24Å; K27-I48 PolarHBondContact O-N 3.37Å
28	Y	96.2	Very high	81	Confident	19 Å²	19	80 Å²	80	8%	0.075	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.6	-175.3	-53.8	-78.8	0	0	0	110.7	R23 V24 S46 N47 V54 W89 V100	R23-Y28 CarbonylContact C-O 3.53Å; R23-Y28 VanDerWaalsContact CA-O 3.3Å; R23-Y28 WeakPolarHBondContact CA-O 3.49Å; V24-Y28 PolarHBondContact N-O 3.39Å; V24-Y28 PolarHBondContact O-N 3.5Å; Y28-S46 CarbonylContact C-O 3.48Å; Y28-S46 WeakPolarHBondContact CA-O 3.5Å; Y28-N47 HydrophobicContact CD1-CB 4.04Å; Y28-N47 HydrophobicContact CE1-CB 3.98Å; Y28-V54 HydrophobicContact CD1-CG1 4.46Å; Y28-V54 HydrophobicContact CD1-CG2 4.03Å; Y28-V54 HydrophobicContact CE1-CG1 4.36Å; Y28-W89 HydrophobicContact CE2-CB 3.7Å; Y28-W89 HydrophobicContact CE2-CG 4.21Å; Y28-V100 HydrophobicContact CD1-CG1 3.86Å; Y28-V100 HydrophobicContact CD2-CB 4.46Å; Y28-V100 HydrophobicContact CD2-CG1 4.28Å; Y28-V100 HydrophobicContact CD2-CG2 3.89Å; Y28-V100 HydrophobicContact CE1-CG1 3.82Å; Y28-V100 HydrophobicContact CE2-CB 4.38Å; Y28-V100 HydrophobicContact CE2-CG1 4.25Å; Y28-V100 HydrophobicContact CE2-CG2 4.21Å; Y28-V100 HydrophobicContact CG-CG1 4.09Å; Y28-V100 HydrophobicContact CG-CG2 4.19Å
29	R	95.4	Very high	82.7	Confident	99 Å²	99	79.5 Å²	79.5	37%	0.374	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	125.7	170.9	175.7	-177.9	-70.2	167.9	-14.5	108.7	E21 G45 S46 I48	E21-R29 VanDerWaalsContact CD-NH2 3.26Å; E21-R29 HydrophobicContact CG-CG 4.01Å; E21-R29 IonicContact OE1-CZ 3.51Å; E21-R29 IonicContact OE1-NE 3.07Å; E21-R29 PolarHBondContact OE1-NE 2.74Å; E21-R29 IonicContact OE1-NH2 3.04Å; E21-R29 PolarHBondContact OE1-NH2 3.07Å; E21-R29 IonicContact OE2-CZ 2.63Å; E21-R29 IonicContact OE2-NE 2.76Å; E21-R29 PolarHBondContact OE2-NE 3.41Å; E21-R29 VanDerWaalsContact OE2-NE 3.07Å; E21-R29 IonicContact OE2-NH2 3.13Å; E21-R29 PolarHBondContact OE2-NH2 3.39Å; R29-G45 CarbonylContact O-C 3.47Å; R29-G45 WeakPolarHBondContact O-CA 3.37Å; R29-S46 PolarHBondContact N-O 2.63Å; R29-S46 PolarHBondContact O-N 2.69Å; R29-I48 HydrophobicContact CB-CD1 4.24Å; R29-I48 HydrophobicContact CB-CG1 3.95Å
30	L	94.9	Very high	84.4	Confident	30 Å²	30	75.7 Å²	75.7	16%	0.157	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	130.3	172.9	-166.8	71.2	0	0	0	109.6	L22 Y43 I56 L58	L22-L30 HydrophobicContact CB-CB 3.95Å; L22-L30 HydrophobicContact CB-CD2 4.16Å; L22-L30 HydrophobicContact CD1-CD2 4.04Å; L22-L30 WeakPolarHBondContact O-CB 3.46Å; L22-L30 PolarHBondContact O-N 3.25Å; L30-Y43 HydrophobicContact CD1-CD1 4.06Å; L30-Y43 HydrophobicContact CD1-CD2 4.3Å; L30-Y43 HydrophobicContact CD1-CG 3.72Å; L30-Y43 HydrophobicContact CD2-CD1 4.29Å; L30-Y43 HydrophobicContact CD2-CE1 4.48Å; L30-Y43 HydrophobicContact CG-CD1 4.09Å; L30-Y43 HydrophobicContact CG-CG 4.28Å; L30-I56 HydrophobicContact CD1-CB 4.14Å; L30-I56 HydrophobicContact CD1-CD1 4.06Å; L30-I56 HydrophobicContact CD1-CG2 4.05Å; L30-L58 HydrophobicContact CD1-CD1 4.19Å; L30-L58 HydrophobicContact CD2-CD1 3.99Å
31	G	95.1	Very high	86.3	Confident	41 Å²	41	69.7 Å²	69.7	42%	0.423	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-143.1	178.5	0	0	0	0	0	112.5	L44	G31-L44 CarbonylContact C-O 3.53Å; G31-L44 WeakPolarHBondContact CA-O 3.33Å; G31-L44 PolarHBondContact N-O 2.86Å
32	R	94.6	Very high	87.7	Confident	169 Å²	169	67.5 Å²	67.5	64%	0.638	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	147.6	178.4	68.2	-177.5	-177	-84.1	-5.4	111.7	I34 Y43 L44	R32-I34 HydrophobicContact CG-CG2 4.09Å; R32-Y43 WeakPolarHBondContact O-CA 3.41Å; R32-L44 HydrophobicContact CG-CB 4.44Å; R32-L44 VanDerWaalsContact NH1-CD2 3.28Å; R32-L44 PolarHBondContact O-N 2.84Å
33	K	94.8	Very high	88.5	Confident	98 Å²	98	64.6 Å²	64.6	43%	0.426	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	136.1	163	-174.4	172.6	171.8	172.7	0	109	G35 S36 D41 Y43	K33-G35 WeakPolarHBondContact CE-O 3.4Å; K33-S36 WeakPolarHBondContact CE-OG 3.34Å; K33-S36 PolarHBondContact NZ-OG 3.04Å; K33-D41 HydrophobicContact CD-CB 4.38Å; K33-D41 VanDerWaalsContact CE-OD1 3.25Å; K33-D41 WeakPolarHBondContact CE-OD1 3.42Å; K33-D41 VanDerWaalsContact CE-OD2 3.31Å; K33-D41 WeakPolarHBondContact CE-OD2 3.45Å; K33-D41 IonicContact NZ-OD1 3.8Å; K33-D41 PolarHBondContact NZ-OD1 3.14Å; K33-D41 IonicContact NZ-OD2 3.92Å; K33-D41 PolarHBondContact NZ-OD2 2.66Å; K33-Y43 HydrophobicContact CB-CD1 4.02Å; K33-Y43 HydrophobicContact CB-CE1 3.79Å
34	I	93.1	Very high	89	Confident	79 Å²	79	59.2 Å²	59.2	41%	0.405	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	-13.2	178.2	59.9	175.8	0	0	0	113	R32 I42 L44 L103	R32-I34 HydrophobicContact CG-CG2 4.09Å; I34-I42 HydrophobicContact CD1-CG2 4.06Å; I34-I42 HydrophobicContact CG1-CB 4.27Å; I34-I42 HydrophobicContact CG1-CG2 3.87Å; I34-I42 WeakPolarHBondContact CG1-O 3.3Å; I34-I42 PolarHBondContact N-O 3.19Å; I34-L44 HydrophobicContact CD1-CB 4.4Å; I34-L44 HydrophobicContact CG2-CB 3.82Å; I34-L103 HydrophobicContact CD1-CD1 4.26Å
35	G	89.4	Confident	89.4	Confident	29 Å²	29	59.1 Å²	59.1	30%	0.299	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	-172.3	174.4	0	0	0	0	0	113.1	K33 I42	K33-G35 WeakPolarHBondContact CE-O 3.4Å; G35-I42 PolarHBondContact N-O 3.3Å; G35-I42 VanDerWaalsContact N-O 3.11Å; G35-I42 PolarHBondContact O-N 3.25Å
36	S	86	Confident	90	Very high	72 Å²	72	59.5 Å²	59.5	50%	0.503	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	129	171.4	-65.3	0	0	0	0	108.5	K33 D41	K33-S36 WeakPolarHBondContact CE-OG 3.34Å; K33-S36 PolarHBondContact NZ-OG 3.04Å; S36-D41 WeakPolarHBondContact CB-OD1 3.41Å; S36-D41 PolarHBondContact OG-OD1 2.94Å
37	G	72.5	Confident	90.5	Very high	25 Å²	25	53.7 Å²	53.7	26%	0.258	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-176.6	173	0	0	0	0	0	111.8	F39 G40	G37-F39 PolarHBondContact O-N 3.12Å; G37-G40 PolarHBondContact N-O 2.99Å
38	S	66.1	Low	90.5	Very high	46 Å²	46	50.6 Å²	50.6	32%	0.322	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.6	-171.6	-55.8	0	0	0	0	115.6	D168	S38-D168 VanDerWaalsContact CB-OD2 3.25Å; S38-D168 WeakPolarHBondContact CB-OD2 3.16Å; S38-D168 PolarHBondContact N-OD2 3.32Å; S38-D168 PolarHBondContact OG-OD2 2.7Å
39	F	73.9	Confident	90.5	Very high	60 Å²	60	54.2 Å²	54.2	26%	0.263	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.3	11.3	-173.2	-58.7	-72	0	0	0	114.5	G37 Q67 L171	G37-F39 PolarHBondContact O-N 3.12Å; F39-Q67 VanDerWaalsContact CE1-NE2 3.33Å; F39-L171 HydrophobicContact CE2-CD2 4.01Å; F39-L171 HydrophobicContact CE2-CG 4.02Å; F39-L171 HydrophobicContact CZ-CD2 3.68Å; F39-L171 HydrophobicContact CZ-CG 4.18Å
40	G	84.3	Confident	90.5	Very high	17 Å²	17	54 Å²	54	18%	0.175	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.9	164.9	-174.1	0	0	0	0	0	114.2	G37 L58	G37-G40 PolarHBondContact N-O 2.99Å; G40-L58 CarbonylContact C-O 3.47Å; G40-L58 WeakPolarHBondContact CA-O 3.45Å
41	D	91.8	Very high	90.4	Very high	50 Å²	50	55.2 Å²	55.2	27%	0.267	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	144.4	-177.7	-83.2	-15.3	0	0	0	112.1	K33 S36 Y43 K57 L58	K33-D41 HydrophobicContact CD-CB 4.38Å; K33-D41 VanDerWaalsContact CE-OD1 3.25Å; K33-D41 WeakPolarHBondContact CE-OD1 3.42Å; K33-D41 VanDerWaalsContact CE-OD2 3.31Å; K33-D41 WeakPolarHBondContact CE-OD2 3.45Å; K33-D41 IonicContact NZ-OD1 3.8Å; K33-D41 PolarHBondContact NZ-OD1 3.14Å; K33-D41 IonicContact NZ-OD2 3.92Å; K33-D41 PolarHBondContact NZ-OD2 2.66Å; S36-D41 WeakPolarHBondContact CB-OD1 3.41Å; S36-D41 PolarHBondContact OG-OD1 2.94Å; D41-Y43 HydrophobicContact CB-CD2 4.28Å; D41-Y43 HydrophobicContact CB-CE2 3.53Å; D41-K57 WeakPolarHBondContact O-CA 3.49Å; D41-L58 PolarHBondContact N-O 3.4Å; D41-L58 PolarHBondContact O-N 2.98Å
42	I	94.9	Very high	90.5	Very high	34 Å²	34	57.2 Å²	57.2	17%	0.174	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.9	-179.7	-43.9	-59.7	0	0	0	109	I34 G35 A55 I56 K57	I34-I42 HydrophobicContact CD1-CG2 4.06Å; I34-I42 HydrophobicContact CG1-CB 4.27Å; I34-I42 HydrophobicContact CG1-CG2 3.87Å; I34-I42 WeakPolarHBondContact CG1-O 3.3Å; I34-I42 PolarHBondContact N-O 3.19Å; G35-I42 PolarHBondContact N-O 3.3Å; G35-I42 VanDerWaalsContact N-O 3.11Å; G35-I42 PolarHBondContact O-N 3.25Å; I42-A55 HydrophobicContact CG2-CB 4.46Å; I42-I56 WeakPolarHBondContact CA-O 3.45Å; I42-K57 HydrophobicContact CD1-CB 3.77Å; I42-K57 HydrophobicContact CD1-CD 3.71Å; I42-K57 HydrophobicContact CD1-CG 3.53Å
43	Y	96.1	Very high	90.6	Very high	54 Å²	54	54.5 Å²	54.5	21%	0.212	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	146.5	178.3	-67.4	-105.8	0	0	0	110.3	L30 R32 K33 D41 I56 L58	L30-Y43 HydrophobicContact CD1-CD1 4.06Å; L30-Y43 HydrophobicContact CD1-CD2 4.3Å; L30-Y43 HydrophobicContact CD1-CG 3.72Å; L30-Y43 HydrophobicContact CD2-CD1 4.29Å; L30-Y43 HydrophobicContact CD2-CE1 4.48Å; L30-Y43 HydrophobicContact CG-CD1 4.09Å; L30-Y43 HydrophobicContact CG-CG 4.28Å; R32-Y43 WeakPolarHBondContact O-CA 3.41Å; K33-Y43 HydrophobicContact CB-CD1 4.02Å; K33-Y43 HydrophobicContact CB-CE1 3.79Å; D41-Y43 HydrophobicContact CB-CD2 4.28Å; D41-Y43 HydrophobicContact CB-CE2 3.53Å; Y43-I56 PolarHBondContact N-O 3.21Å; Y43-I56 PolarHBondContact O-N 3.24Å; Y43-L58 HydrophobicContact CD2-CD1 3.8Å; Y43-L58 HydrophobicContact CD2-CG 4.08Å; Y43-L58 HydrophobicContact CE2-CB 4.49Å; Y43-L58 HydrophobicContact CE2-CD1 3.63Å; Y43-L58 HydrophobicContact CE2-CG 4.19Å
44	L	96.9	Very high	90.7	Very high	16 Å²	16	49.8 Å²	49.8	8%	0.084	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	140.9	157.3	179	65.9	0	0	0	107.9	G31 R32 I34 E53 L103	G31-L44 CarbonylContact C-O 3.53Å; G31-L44 WeakPolarHBondContact CA-O 3.33Å; G31-L44 PolarHBondContact N-O 2.86Å; R32-L44 HydrophobicContact CG-CB 4.44Å; R32-L44 VanDerWaalsContact NH1-CD2 3.28Å; R32-L44 PolarHBondContact O-N 2.84Å; I34-L44 HydrophobicContact CD1-CB 4.4Å; I34-L44 HydrophobicContact CG2-CB 3.82Å; L44-E53 HydrophobicContact CD1-CB 4.22Å; L44-L103 HydrophobicContact CD1-CD1 4.13Å; L44-L103 HydrophobicContact CD1-CD2 3.58Å
45	G	96.8	Very high	91	Very high	4 Å²	4	46.5 Å²	46.5	4%	0.041	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	-179.6	166.4	0	0	0	0	0	111.4	R29 E53 V54	R29-G45 CarbonylContact O-C 3.47Å; R29-G45 WeakPolarHBondContact O-CA 3.37Å; G45-E53 WeakPolarHBondContact O-CA 3.47Å; G45-V54 PolarHBondContact N-O 3.13Å; G45-V54 PolarHBondContact O-N 3.39Å
46	S	97.1	Very high	91.3	Very high	28 Å²	28	45.1 Å²	45.1	20%	0.196	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145.8	170.8	61.5	0	0	0	0	112.5	Y28 R29 I48 E52	Y28-S46 CarbonylContact C-O 3.48Å; Y28-S46 WeakPolarHBondContact CA-O 3.5Å; R29-S46 PolarHBondContact N-O 2.63Å; R29-S46 PolarHBondContact O-N 2.69Å; S46-I48 PolarHBondContact O-N 3.26Å; S46-E52 CarbonylContact C-O 3.54Å; S46-E52 VanDerWaalsContact CA-O 3.28Å; S46-E52 WeakPolarHBondContact CA-O 3.49Å
47	N	96.6	Very high	91.7	Very high	23 Å²	23	41.9 Å²	41.9	12%	0.123	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	118.7	168.3	-178.2	-18.9	0	0	0	108.7	Y28 A49 T50 G51 E52	Y28-N47 HydrophobicContact CD1-CB 4.04Å; Y28-N47 HydrophobicContact CE1-CB 3.98Å; N47-A49 PolarHBondContact O-N 3.01Å; N47-A49 PolarHBondContact OD1-N 3.49Å; N47-A49 VanDerWaalsContact OD1-N 3.07Å; N47-T50 WeakPolarHBondContact CB-OG1 3.49Å; N47-T50 VanDerWaalsContact CG-OG1 3.28Å; N47-T50 PolarHBondContact ND2-OG1 2.84Å; N47-T50 PolarHBondContact O-N 3.41Å; N47-G51 WeakPolarHBondContact O-CA 3.49Å; N47-G51 PolarHBondContact O-N 3.21Å; N47-E52 HydrophobicContact CB-CB 4.25Å; N47-E52 PolarHBondContact N-O 2.85Å
48	I	94.7	Very high	92.8	Very high	69 Å²	69	41.6 Å²	41.6	35%	0.354	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-30	-173.2	-62.6	165.3	0	0	0	111.4	R23 K27 R29 S46	R23-I48 HydrophobicContact CG-CD1 3.95Å; K27-I48 WeakPolarHBondContact O-CG1 3.24Å; K27-I48 PolarHBondContact O-N 3.37Å; R29-I48 HydrophobicContact CB-CD1 4.24Å; R29-I48 HydrophobicContact CB-CG1 3.95Å; S46-I48 PolarHBondContact O-N 3.26Å
49	A	94.6	Very high	94.1	Very high	95 Å²	95	39.6 Å²	39.6	79%	0.785	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-26.7	-176.9	0	0	0	0	0	114	N47	N47-A49 PolarHBondContact O-N 3.01Å; N47-A49 PolarHBondContact OD1-N 3.49Å; N47-A49 VanDerWaalsContact OD1-N 3.07Å
50	T	95.8	Very high	94.9	Very high	94 Å²	94	39 Å²	39	58%	0.577	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.1	-9.2	-175.6	65.2	0	0	0	0	114.4	N47 E52	N47-T50 WeakPolarHBondContact CB-OG1 3.49Å; N47-T50 VanDerWaalsContact CG-OG1 3.28Å; N47-T50 PolarHBondContact ND2-OG1 2.84Å; N47-T50 PolarHBondContact O-N 3.41Å; T50-E52 PolarHBondContact O-N 2.87Å; T50-E52 VanDerWaalsContact OG1-CB 3.29Å; T50-E52 WeakPolarHBondContact OG1-CB 3.3Å; T50-E52 PolarHBondContact OG1-N 3.22Å
51	G	94.1	Very high	95.1	Very high	56 Å²	56	41 Å²	41	58%	0.577	25%	0.247	S	C	*	.			trans	71.1	-1.3	-171.8	0	0	0	0	0	114.7	N47 E53	N47-G51 WeakPolarHBondContact O-CA 3.49Å; N47-G51 PolarHBondContact O-N 3.21Å; G51-E53 PolarHBondContact O-N 2.83Å
52	E	95.7	Very high	95	Very high	83 Å²	83	45.6 Å²	45.6	39%	0.388	27%	0.265	S	S	.	.			trans	-64.4	124.9	-175.6	-174.3	-171.7	-154.8	0	0	111.7	S46 N47 T50 K88	S46-E52 CarbonylContact C-O 3.54Å; S46-E52 VanDerWaalsContact CA-O 3.28Å; S46-E52 WeakPolarHBondContact CA-O 3.49Å; N47-E52 HydrophobicContact CB-CB 4.25Å; N47-E52 PolarHBondContact N-O 2.85Å; T50-E52 PolarHBondContact O-N 2.87Å; T50-E52 VanDerWaalsContact OG1-CB 3.29Å; T50-E52 WeakPolarHBondContact OG1-CB 3.3Å; T50-E52 PolarHBondContact OG1-N 3.22Å; E52-K88 WeakPolarHBondContact OE1-CE 3.47Å; E52-K88 IonicContact OE1-NZ 2.69Å; E52-K88 PolarHBondContact OE1-NZ 2.89Å; E52-K88 WeakPolarHBondContact OE2-CE 3.35Å; E52-K88 IonicContact OE2-NZ 2.74Å; E52-K88 PolarHBondContact OE2-NZ 3.48Å
53	E	97.3	Very high	94.5	Very high	112 Å²	112	47.1 Å²	47.1	52%	0.523	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.8	173.3	-63.9	-165.7	113	0	0	111.9	L44 G45 G51 L103	L44-E53 HydrophobicContact CD1-CB 4.22Å; G45-E53 WeakPolarHBondContact O-CA 3.47Å; G51-E53 PolarHBondContact O-N 2.83Å; E53-L103 HydrophobicContact CB-CD2 3.65Å
54	V	97.8	Very high	93.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	155.4	-175.1	-65	0	0	0	0	111.2	Y28 G45 I56 K88 V100	Y28-V54 HydrophobicContact CD1-CG1 4.46Å; Y28-V54 HydrophobicContact CD1-CG2 4.03Å; Y28-V54 HydrophobicContact CE1-CG1 4.36Å; G45-V54 PolarHBondContact N-O 3.13Å; G45-V54 PolarHBondContact O-N 3.39Å; V54-I56 HydrophobicContact CG2-CD1 4.15Å; V54-I56 HydrophobicContact CG2-CG1 3.96Å; V54-K88 HydrophobicContact CG1-CD 3.53Å; V54-V100 HydrophobicContact CB-CG1 3.79Å; V54-V100 HydrophobicContact CG1-CG1 4.11Å; V54-V100 HydrophobicContact CG2-CG1 3.76Å
55	A	97.6	Very high	93.1	Very high	9 Å²	9	58.3 Å²	58.3	7%	0.074	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	137.2	164.4	0	0	0	0	0	109.7	I42 V100 M101 L103	I42-A55 HydrophobicContact CG2-CB 4.46Å; A55-V100 WeakPolarHBondContact O-CA 3.3Å; A55-M101 HydrophobicContact CB-CG 3.78Å; A55-M101 PolarHBondContact N-O 2.93Å; A55-M101 PolarHBondContact O-N 2.85Å; A55-L103 HydrophobicContact CB-CD1 4.1Å
56	I	96.4	Very high	92.5	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	115.1	-179.1	-52	-172.1	0	0	0	108.6	L30 I42 Y43 V54 L58 V98 V100	L30-I56 HydrophobicContact CD1-CB 4.14Å; L30-I56 HydrophobicContact CD1-CD1 4.06Å; L30-I56 HydrophobicContact CD1-CG2 4.05Å; I42-I56 WeakPolarHBondContact CA-O 3.45Å; Y43-I56 PolarHBondContact N-O 3.21Å; Y43-I56 PolarHBondContact O-N 3.24Å; V54-I56 HydrophobicContact CG2-CD1 4.15Å; V54-I56 HydrophobicContact CG2-CG1 3.96Å; I56-L58 HydrophobicContact CG2-CD2 3.92Å; I56-L58 HydrophobicContact CG2-CG 4.4Å; I56-V98 HydrophobicContact CG2-CG1 3.55Å; I56-V100 HydrophobicContact CD1-CG2 4.38Å; I56-V100 HydrophobicContact CG1-CG1 4.31Å; I56-V100 HydrophobicContact CG1-CG2 4.14Å; I56-V100 HydrophobicContact CG2-CG2 4.24Å
57	K	95.5	Very high	92.1	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.017	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.9	174.3	-172.7	166.5	-171.5	-174.4	0	109.2	D41 I42 L68 E71 V98 M99 M101 D168	D41-K57 WeakPolarHBondContact O-CA 3.49Å; I42-K57 HydrophobicContact CD1-CB 3.77Å; I42-K57 HydrophobicContact CD1-CD 3.71Å; I42-K57 HydrophobicContact CD1-CG 3.53Å; K57-L68 HydrophobicContact CB-CD1 4.14Å; K57-L68 HydrophobicContact CD-CD1 3.55Å; K57-L68 HydrophobicContact CG-CD1 3.58Å; K57-E71 WeakPolarHBondContact CE-OE2 3.3Å; K57-E71 IonicContact NZ-OE1 2.94Å; K57-E71 PolarHBondContact NZ-OE1 2.98Å; K57-E71 IonicContact NZ-OE2 2.7Å; K57-E71 PolarHBondContact NZ-OE2 3.31Å; K57-V98 WeakPolarHBondContact O-CA 3.44Å; K57-M99 HydrophobicContact CD-CE 4.4Å; K57-M99 PolarHBondContact N-O 2.82Å; K57-M99 PolarHBondContact O-N 2.89Å; K57-M101 HydrophobicContact CB-CE 4.2Å; K57-D168 IonicContact NZ-OD1 2.69Å; K57-D168 PolarHBondContact NZ-OD1 3.08Å
58	L	94	Very high	91.8	Very high	19 Å²	19	61.1 Å²	61.1	10%	0.099	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.1	179.8	-60.2	-177.2	0	0	0	110.7	L30 G40 D41 Y43 I56 Y96 V98	L30-L58 HydrophobicContact CD1-CD1 4.19Å; L30-L58 HydrophobicContact CD2-CD1 3.99Å; G40-L58 CarbonylContact C-O 3.47Å; G40-L58 WeakPolarHBondContact CA-O 3.45Å; D41-L58 PolarHBondContact N-O 3.4Å; D41-L58 PolarHBondContact O-N 2.98Å; Y43-L58 HydrophobicContact CD2-CD1 3.8Å; Y43-L58 HydrophobicContact CD2-CG 4.08Å; Y43-L58 HydrophobicContact CE2-CB 4.49Å; Y43-L58 HydrophobicContact CE2-CD1 3.63Å; Y43-L58 HydrophobicContact CE2-CG 4.19Å; I56-L58 HydrophobicContact CG2-CD2 3.92Å; I56-L58 HydrophobicContact CG2-CG 4.4Å; L58-Y96 HydrophobicContact CB-CD1 4.05Å; L58-V98 HydrophobicContact CD2-CB 4.02Å; L58-V98 HydrophobicContact CD2-CG1 3.57Å; L58-V98 HydrophobicContact CD2-CG2 3.54Å
59	E	94.1	Very high	91.6	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.019	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.1	174.1	169.1	-172.2	-98.7	0	0	108.4	V61 T63 P66 Q67 L68 Y96 N97	E59-V61 PolarHBondContact O-N 2.84Å; E59-T63 HydrophobicContact CG-CG2 4.1Å; E59-P66 WeakPolarHBondContact OE2-CB 3.26Å; E59-Q67 PolarHBondContact OE1-N 2.96Å; E59-Q67 PolarHBondContact OE2-N 2.77Å; E59-L68 HydrophobicContact CB-CB 3.97Å; E59-L68 HydrophobicContact CB-CD2 4.03Å; E59-L68 HydrophobicContact CB-CG 4.49Å; E59-L68 HydrophobicContact CG-CB 4.42Å; E59-L68 PolarHBondContact OE1-N 3.08Å; E59-L68 VanDerWaalsContact OE2-CB 3.3Å; E59-L68 WeakPolarHBondContact OE2-CB 3.43Å; E59-L68 PolarHBondContact OE2-N 2.9Å; E59-Y96 CarbonylContact O-C 3.58Å; E59-Y96 WeakPolarHBondContact O-CA 3.4Å; E59-N97 HydrophobicContact CB-CB 4.17Å; E59-N97 PolarHBondContact N-O 3.34Å; E59-N97 PolarHBondContact O-N 3.48Å; E59-N97 PolarHBondContact OE2-ND2 2.76Å
60	C	91.1	Very high	91.4	Very high	49 Å²	49	61 Å²	61	33%	0.331	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	126.7	178.1	177.7	0	0	0	0	110.7	K62 T63 D95 Y96	C60-K62 PolarHBondContact O-N 2.83Å; C60-K62 VanDerWaalsContact O-N 3.08Å; C60-T63 WeakPolarHBondContact O-CB 3.35Å; C60-T63 VanDerWaalsContact O-CG2 3.23Å; C60-T63 WeakPolarHBondContact O-CG2 3.38Å; C60-T63 PolarHBondContact O-N 3.04Å; C60-D95 WeakPolarHBondContact CA-O 3.33Å; C60-Y96 HydrophobicContact CB-CD1 4.22Å; C60-Y96 HydrophobicContact CB-CE1 3.97Å
61	V	88.7	Confident	91.2	Very high	57 Å²	57	56.5 Å²	56.5	35%	0.345	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-21.1	-176.6	-56.5	0	0	0	0	113.2	E59 T63 D95	E59-V61 PolarHBondContact O-N 2.84Å; V61-T63 PolarHBondContact O-N 2.76Å; V61-D95 WeakPolarHBondContact CG2-O 3.44Å; V61-D95 PolarHBondContact N-O 2.82Å
62	K	88.4	Confident	91.1	Very high	148 Å²	148	54 Å²	54	64%	0.643	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	3	178.1	-62.5	166.7	-179.8	164.6	0	113	C60 D95	C60-K62 PolarHBondContact O-N 2.83Å; C60-K62 VanDerWaalsContact O-N 3.08Å; K62-D95 WeakPolarHBondContact CE-OD1 3.37Å; K62-D95 IonicContact NZ-OD1 2.71Å; K62-D95 PolarHBondContact NZ-OD1 2.86Å; K62-D95 IonicContact NZ-OD2 2.81Å; K62-D95 PolarHBondContact NZ-OD2 2.83Å
63	T	85.8	Confident	91	Very high	65 Å²	65	56.4 Å²	56.4	40%	0.399	28%	0.279	S	S	.	.	S	Bend	trans	-64.5	147.3	170.3	-169.5	0	0	0	0	111.3	E59 C60 V61 H65 P66	E59-T63 HydrophobicContact CG-CG2 4.1Å; C60-T63 WeakPolarHBondContact O-CB 3.35Å; C60-T63 VanDerWaalsContact O-CG2 3.23Å; C60-T63 WeakPolarHBondContact O-CG2 3.38Å; C60-T63 PolarHBondContact O-N 3.04Å; V61-T63 PolarHBondContact O-N 2.76Å; T63-H65 PolarHBondContact O-N 3.07Å; T63-P66 HydrophobicContact CG2-CB 3.81Å; T63-P66 HydrophobicContact CG2-CG 4.49Å
64	K	81.1	Confident	90.8	Very high	169 Å²	169	52.6 Å²	52.6	74%	0.735	26%	0.261	S	S	*	.	S	Bend	trans	-65.3	-27.3	-177.7	-67.2	-174.9	177.2	-176.9	0	113.6
65	H	82.3	Confident	90.6	Very high	137 Å²	137	52.7 Å²	52.7	63%	0.634	26%	0.261	S	S	*	.	S	Bend	trans	-140.3	72.8	-172.5	-55.6	-47.9	0	0	0	110.9	T63 Q67	T63-H65 PolarHBondContact O-N 3.07Å; H65-Q67 PolarHBondContact O-N 2.77Å; H65-Q67 PolarHBondContact O-NE2 2.84Å
66	P	84.9	Confident	90.4	Very high	64 Å²	64	58.6 Å²	58.6	42%	0.416	29%	0.285	S	S	.	.			trans	-67.2	131	-179	27.3	-33.6	0	0	0	110.9	E59 T63	E59-P66 WeakPolarHBondContact OE2-CB 3.26Å; T63-P66 HydrophobicContact CG2-CB 3.81Å; T63-P66 HydrophobicContact CG2-CG 4.49Å
67	Q	88.3	Confident	90.3	Very high	48 Å²	48	63.3 Å²	63.3	22%	0.224	31%	0.309	C	S	.	.			trans	-131.3	-13	-170.5	-79	166.3	77.7	0	0	113.2	F39 E59 H65 H69 I70 E71 G170	F39-Q67 VanDerWaalsContact CE1-NE2 3.33Å; E59-Q67 PolarHBondContact OE1-N 2.96Å; E59-Q67 PolarHBondContact OE2-N 2.77Å; H65-Q67 PolarHBondContact O-N 2.77Å; H65-Q67 PolarHBondContact O-NE2 2.84Å; Q67-H69 VanDerWaalsContact C-N 3.25Å; Q67-H69 PolarHBondContact O-N 3.28Å; Q67-I70 WeakPolarHBondContact O-CA 3.37Å; Q67-I70 WeakPolarHBondContact O-CB 3.45Å; Q67-I70 PolarHBondContact O-N 2.96Å; Q67-E71 PolarHBondContact O-N 3.24Å; Q67-G170 PolarHBondContact OE1-O 2.98Å
68	L	90.4	Very high	90.2	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-59.4	-35.3	-178	-162.5	71.6	0	0	0	113.1	K57 E59 I70 E71 S72 N97 M99	K57-L68 HydrophobicContact CB-CD1 4.14Å; K57-L68 HydrophobicContact CD-CD1 3.55Å; K57-L68 HydrophobicContact CG-CD1 3.58Å; E59-L68 HydrophobicContact CB-CB 3.97Å; E59-L68 HydrophobicContact CB-CD2 4.03Å; E59-L68 HydrophobicContact CB-CG 4.49Å; E59-L68 HydrophobicContact CG-CB 4.42Å; E59-L68 PolarHBondContact OE1-N 3.08Å; E59-L68 VanDerWaalsContact OE2-CB 3.3Å; E59-L68 WeakPolarHBondContact OE2-CB 3.43Å; E59-L68 PolarHBondContact OE2-N 2.9Å; L68-I70 VanDerWaalsContact C-N 3.25Å; L68-I70 PolarHBondContact O-N 3.05Å; L68-E71 PolarHBondContact O-N 2.87Å; L68-S72 WeakPolarHBondContact O-CB 3.33Å; L68-S72 PolarHBondContact O-N 3.27Å; L68-S72 PolarHBondContact O-OG 3.27Å; L68-N97 HydrophobicContact CB-CB 4.23Å; L68-N97 HydrophobicContact CD2-CB 3.94Å; L68-N97 WeakPolarHBondContact CD2-O 3.28Å; L68-M99 HydrophobicContact CD1-CB 4.15Å; L68-M99 HydrophobicContact CD1-CE 3.71Å; L68-M99 HydrophobicContact CD2-CB 4Å; L68-M99 HydrophobicContact CG-CB 4.02Å; L68-M99 HydrophobicContact CG-CE 4.37Å
69	H	89.4	Confident	90.2	Very high	78 Å²	78	65.6 Å²	65.6	36%	0.361	32%	0.319	S	S	.	.	H	α-helix	trans	-71.5	-13.4	173.6	-83.8	107.8	0	0	0	114.6	Q67 K73 N97	Q67-H69 VanDerWaalsContact C-N 3.25Å; Q67-H69 PolarHBondContact O-N 3.28Å; H69-K73 WeakPolarHBondContact O-CD 3.26Å; H69-K73 WeakPolarHBondContact O-CE 3Å; H69-K73 WeakPolarHBondContact O-CG 3.03Å; H69-N97 PolarHBondContact CE1-OD1 3.3Å; H69-N97 PolarHBondContact ND1-OD1 3.1Å
70	I	89.9	Confident	90.1	Very high	83 Å²	83	69.2 Å²	69.2	43%	0.426	36%	0.357	S	S	.	.	H	α-helix	trans	-93.3	-45.3	172.6	-55.1	176.4	0	0	0	108.9	Q67 L68 S72 K73 F74	Q67-I70 WeakPolarHBondContact O-CA 3.37Å; Q67-I70 WeakPolarHBondContact O-CB 3.45Å; Q67-I70 PolarHBondContact O-N 2.96Å; L68-I70 VanDerWaalsContact C-N 3.25Å; L68-I70 PolarHBondContact O-N 3.05Å; I70-S72 VanDerWaalsContact C-N 3.31Å; I70-S72 PolarHBondContact O-N 2.8Å; I70-K73 WeakPolarHBondContact O-CA 3.41Å; I70-K73 WeakPolarHBondContact O-CB 3.44Å; I70-K73 PolarHBondContact O-N 3.48Å; I70-F74 HydrophobicContact CG2-CE1 4.23Å; I70-F74 HydrophobicContact CG2-CE2 3.9Å; I70-F74 HydrophobicContact CG2-CZ 3.69Å; I70-F74 PolarHBondContact O-N 3.47Å; I70-F74 VanDerWaalsContact O-N 3.13Å
71	E	92.9	Very high	90.3	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-55.8	-43.7	174.4	-169.2	-173.1	171	0	0	111.8	K57 Q67 L68 K73 F74 Y75 M99 F169	K57-E71 WeakPolarHBondContact CE-OE2 3.3Å; K57-E71 IonicContact NZ-OE1 2.94Å; K57-E71 PolarHBondContact NZ-OE1 2.98Å; K57-E71 IonicContact NZ-OE2 2.7Å; K57-E71 PolarHBondContact NZ-OE2 3.31Å; Q67-E71 PolarHBondContact O-N 3.24Å; L68-E71 PolarHBondContact O-N 2.87Å; E71-K73 PolarHBondContact O-N 2.73Å; E71-F74 WeakPolarHBondContact O-CB 3.49Å; E71-F74 PolarHBondContact O-N 3.26Å; E71-Y75 HydrophobicContact CG-CD2 4.01Å; E71-Y75 HydrophobicContact CG-CE2 3.64Å; E71-Y75 WeakPolarHBondContact O-CD2 3.23Å; E71-Y75 PolarHBondContact O-N 3.16Å; E71-Y75 VanDerWaalsContact OE1-CE2 3.3Å; E71-Y75 WeakPolarHBondContact OE1-CE2 3.02Å; E71-Y75 PolarHBondContact OE1-OH 3.45Å; E71-M99 HydrophobicContact CB-CE 4.31Å; E71-M99 HydrophobicContact CG-CE 3.97Å; E71-F169 HydrophobicContact CG-CB 3.98Å; E71-F169 PolarHBondContact OE1-N 2.8Å
72	S	92.6	Very high	90.8	Very high	4 Å²	4	69.2 Å²	69.2	3%	0.028	36%	0.357	C	S	.	.	H	α-helix	trans	-64.5	-25.1	177.1	76.8	0	0	0	0	113.5	L68 I70 K76 C90 M99	L68-S72 WeakPolarHBondContact O-CB 3.33Å; L68-S72 PolarHBondContact O-N 3.27Å; L68-S72 PolarHBondContact O-OG 3.27Å; I70-S72 VanDerWaalsContact C-N 3.31Å; I70-S72 PolarHBondContact O-N 2.8Å; S72-K76 WeakPolarHBondContact O-CB 3.33Å; S72-K76 VanDerWaalsContact O-CG 3.24Å; S72-K76 WeakPolarHBondContact O-CG 3.12Å; S72-K76 PolarHBondContact O-N 2.65Å; S72-C90 VanDerWaalsContact CB-SG 3.57Å; S72-C90 PolarHBondContact OG-SG 3.36Å; S72-C90 VanDerWaalsContact OG-SG 3.41Å; S72-M99 VanDerWaalsContact CA-SD 3.58Å; S72-M99 WeakPolarHBondContact CB-SD 3.35Å
73	K	92.2	Very high	91.2	Very high	133 Å²	133	62.3 Å²	62.3	58%	0.578	33%	0.328	S	S	*	.	H	α-helix	trans	-74	-39.7	170.7	-65.4	172.3	-176.3	177.2	0	111.1	H69 I70 E71 K76 M77	H69-K73 WeakPolarHBondContact O-CD 3.26Å; H69-K73 WeakPolarHBondContact O-CE 3Å; H69-K73 WeakPolarHBondContact O-CG 3.03Å; I70-K73 WeakPolarHBondContact O-CA 3.41Å; I70-K73 WeakPolarHBondContact O-CB 3.44Å; I70-K73 PolarHBondContact O-N 3.48Å; E71-K73 PolarHBondContact O-N 2.73Å; K73-K76 PolarHBondContact O-N 2.89Å; K73-M77 WeakPolarHBondContact O-CG 2.96Å; K73-M77 PolarHBondContact O-N 3.21Å
74	F	92.9	Very high	91.8	Very high	31 Å²	31	59.7 Å²	59.7	14%	0.136	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-48.3	174.4	-60.3	-30.4	0	0	0	111.7	I70 E71 K76 M77 M78 F143 F169 A172	I70-F74 HydrophobicContact CG2-CE1 4.23Å; I70-F74 HydrophobicContact CG2-CE2 3.9Å; I70-F74 HydrophobicContact CG2-CZ 3.69Å; I70-F74 PolarHBondContact O-N 3.47Å; I70-F74 VanDerWaalsContact O-N 3.13Å; E71-F74 WeakPolarHBondContact O-CB 3.49Å; E71-F74 PolarHBondContact O-N 3.26Å; F74-K76 VanDerWaalsContact C-N 3.28Å; F74-K76 PolarHBondContact O-N 3.27Å; F74-M77 PolarHBondContact O-N 3.17Å; F74-M77 VanDerWaalsContact O-N 3.12Å; F74-M78 WeakPolarHBondContact O-CG 3.19Å; F74-M78 PolarHBondContact O-N 3.08Å; F74-F143 HydrophobicContact CD1-CD1 4.13Å; F74-F143 AromaticContact CD1-CE1 3.53Å; F74-F143 HydrophobicContact CD1-CE1 3.53Å; F74-F143 AromaticContact CD1-CZ 3.78Å; F74-F143 HydrophobicContact CD1-CZ 3.78Å; F74-F143 HydrophobicContact CE1-CD1 4.05Å; F74-F143 AromaticContact CE1-CE1 3.36Å; F74-F143 HydrophobicContact CE1-CE1 3.36Å; F74-F143 AromaticContact CE1-CZ 3.97Å; F74-F143 HydrophobicContact CE1-CZ 3.97Å; F74-F143 HydrophobicContact CZ-CE1 4.22Å; F74-F169 HydrophobicContact CB-CB 4.04Å; F74-F169 HydrophobicContact CB-CG 4.48Å; F74-F169 HydrophobicContact CD2-CB 4.08Å; F74-F169 WeakPolarHBondContact CD2-O 3.44Å; F74-A172 HydrophobicContact CD2-CB 3.96Å; F74-A172 HydrophobicContact CE2-CB 4.06Å
75	Y	94.9	Very high	92.6	Very high	3 Å²	3	51.7 Å²	51.7	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-57.6	-39.1	174	-76.8	-77	0	0	0	112.6	E71 M78 Q79 I84 P85 I87 M99 D168 F169	E71-Y75 HydrophobicContact CG-CD2 4.01Å; E71-Y75 HydrophobicContact CG-CE2 3.64Å; E71-Y75 WeakPolarHBondContact O-CD2 3.23Å; E71-Y75 PolarHBondContact O-N 3.16Å; E71-Y75 VanDerWaalsContact OE1-CE2 3.3Å; E71-Y75 WeakPolarHBondContact OE1-CE2 3.02Å; E71-Y75 PolarHBondContact OE1-OH 3.45Å; Y75-M78 CarbonylContact O-C 3.53Å; Y75-M78 PolarHBondContact O-N 3.21Å; Y75-Q79 WeakPolarHBondContact O-CG 3.47Å; Y75-Q79 PolarHBondContact O-N 2.68Å; Y75-Q79 PolarHBondContact O-NE2 3.12Å; Y75-Q79 VanDerWaalsContact O-NE2 3.14Å; Y75-I84 HydrophobicContact CD1-CG2 4.36Å; Y75-P85 HydrophobicContact CE1-CB 4.31Å; Y75-P85 HydrophobicContact CE1-CG 3.92Å; Y75-I87 HydrophobicContact CD1-CD1 4.14Å; Y75-I87 HydrophobicContact CD1-CG1 4.38Å; Y75-I87 HydrophobicContact CD2-CD1 3.84Å; Y75-I87 HydrophobicContact CD2-CG1 4.24Å; Y75-I87 HydrophobicContact CE2-CD1 4.34Å; Y75-I87 HydrophobicContact CG-CD1 3.74Å; Y75-I87 HydrophobicContact CG-CG1 3.81Å; Y75-M99 HydrophobicContact CD2-CE 3.86Å; Y75-M99 HydrophobicContact CD2-SD 3.88Å; Y75-M99 HydrophobicContact CE2-CE 3.56Å; Y75-M99 HydrophobicContact CE2-SD 4.17Å; Y75-D168 PolarHBondContact OH-N 2.9Å; Y75-D168 VanDerWaalsContact OH-N 3.11Å; Y75-F169 AromaticContact CD1-CD2 3.61Å; Y75-F169 HydrophobicContact CD1-CD2 3.61Å; Y75-F169 AromaticContact CD1-CE2 3.59Å; Y75-F169 HydrophobicContact CD1-CE2 3.59Å; Y75-F169 HydrophobicContact CD2-CD2 4.07Å; Y75-F169 AromaticContact CE1-CD2 3.43Å; Y75-F169 HydrophobicContact CE1-CD2 3.43Å; Y75-F169 VanDerWaalsContact CE1-CD2 3.43Å; Y75-F169 AromaticContact CE1-CE2 3.42Å; Y75-F169 HydrophobicContact CE1-CE2 3.42Å; Y75-F169 VanDerWaalsContact CE1-CE2 3.42Å; Y75-F169 AromaticContact CE2-CD2 3.93Å; Y75-F169 HydrophobicContact CE2-CD2 3.93Å; Y75-F169 AromaticContact CG-CD2 3.91Å; Y75-F169 HydrophobicContact CG-CD2 3.91Å; Y75-F169 HydrophobicContact CG-CE2 4.29Å; Y75-F169 AromaticContact CZ-CD2 3.59Å
76	K	93.5	Very high	93.2	Very high	132 Å²	132	47.4 Å²	47.4	57%	0.574	26%	0.262	S	S	*	.	H	α-helix	trans	-62.7	-41.6	175.6	-78.2	172.9	-178.9	-178.1	0	112.4	S72 K73 F74 M78 Q79	S72-K76 WeakPolarHBondContact O-CB 3.33Å; S72-K76 VanDerWaalsContact O-CG 3.24Å; S72-K76 WeakPolarHBondContact O-CG 3.12Å; S72-K76 PolarHBondContact O-N 2.65Å; K73-K76 PolarHBondContact O-N 2.89Å; F74-K76 VanDerWaalsContact C-N 3.28Å; F74-K76 PolarHBondContact O-N 3.27Å; K76-M78 VanDerWaalsContact C-N 3.25Å; K76-M78 PolarHBondContact O-N 2.97Å; K76-Q79 PolarHBondContact O-N 2.86Å
77	M	93.6	Very high	93.7	Very high	100 Å²	100	45.8 Å²	45.8	49%	0.493	25%	0.25	S	C	.	.	H	α-helix	trans	-69	-22.9	175.9	-66.5	177.2	75.1	0	0	113.4	K73 F74 K141 F143	K73-M77 WeakPolarHBondContact O-CG 2.96Å; K73-M77 PolarHBondContact O-N 3.21Å; F74-M77 PolarHBondContact O-N 3.17Å; F74-M77 VanDerWaalsContact O-N 3.12Å; M77-K141 PolarHBondContact O-NZ 3.18Å; M77-F143 HydrophobicContact CB-CE2 4.44Å; M77-F143 HydrophobicContact CE-CE2 3.82Å; M77-F143 HydrophobicContact CE-CZ 3.81Å; M77-F143 HydrophobicContact SD-CE2 4.02Å; M77-F143 HydrophobicContact SD-CZ 3.76Å
78	M	93.5	Very high	94	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	3.3	178.9	-62.8	-176.9	-166.6	0	0	114.2	F74 Y75 K76 G81 I84 Y137 I138 K141 F143 F169	F74-M78 WeakPolarHBondContact O-CG 3.19Å; F74-M78 PolarHBondContact O-N 3.08Å; Y75-M78 CarbonylContact O-C 3.53Å; Y75-M78 PolarHBondContact O-N 3.21Å; K76-M78 VanDerWaalsContact C-N 3.25Å; K76-M78 PolarHBondContact O-N 2.97Å; M78-G81 PolarHBondContact O-N 2.87Å; M78-I84 HydrophobicContact CB-CG1 4.36Å; M78-I84 HydrophobicContact CB-CG2 3.96Å; M78-Y137 HydrophobicContact CB-CE1 4.16Å; M78-Y137 PolarHBondContact O-OH 3.35Å; M78-I138 HydrophobicContact CE-CG1 4.39Å; M78-I138 HydrophobicContact CE-CG2 4.02Å; M78-I138 HydrophobicContact SD-CG1 4.07Å; M78-K141 HydrophobicContact CG-CB 4.38Å; M78-K141 HydrophobicContact CG-CG 4.3Å; M78-F143 HydrophobicContact CE-CB 3.77Å; M78-F143 HydrophobicContact CE-CD2 3.65Å; M78-F143 HydrophobicContact CE-CG 3.85Å; M78-F169 HydrophobicContact CE-CD1 4.04Å; M78-F169 HydrophobicContact CE-CE1 3.95Å; M78-F169 HydrophobicContact CE-CZ 4.47Å; M78-F169 HydrophobicContact SD-CD1 4.02Å; M78-F169 HydrophobicContact SD-CD2 4.39Å; M78-F169 HydrophobicContact SD-CE1 3.47Å; M78-F169 WeakPolarHBondContact SD-CE1 3.22Å; M78-F169 HydrophobicContact SD-CE2 3.9Å; M78-F169 HydrophobicContact SD-CG 4.46Å; M78-F169 HydrophobicContact SD-CZ 3.42Å; M78-F169 WeakPolarHBondContact SD-CZ 3.34Å
79	Q	92.9	Very high	94.2	Very high	71 Å²	71	50.3 Å²	50.3	33%	0.332	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	151.3	176.2	-75.4	-53.9	-66.1	0	0	112.4	Y75 K76 G81 P85 Y137	Y75-Q79 WeakPolarHBondContact O-CG 3.47Å; Y75-Q79 PolarHBondContact O-N 2.68Å; Y75-Q79 PolarHBondContact O-NE2 3.12Å; Y75-Q79 VanDerWaalsContact O-NE2 3.14Å; K76-Q79 PolarHBondContact O-N 2.86Å; Q79-G81 PolarHBondContact O-N 2.95Å; Q79-P85 PolarHBondContact NE2-O 2.67Å; Q79-Y137 PolarHBondContact O-OH 3.5Å
80	G	92.2	Very high	94.4	Very high	79 Å²	79	48 Å²	48	81%	0.814	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	-2.3	-169.8	0	0	0	0	0	114.2
81	G	96.5	Very high	94.6	Very high	10 Å²	10	44.7 Å²	44.7	10%	0.103	25%	0.245	C	C	.	.			trans	-73.6	134.6	175.5	0	0	0	0	0	113.5	M78 Q79 G83 I84 Y137	M78-G81 PolarHBondContact O-N 2.87Å; Q79-G81 PolarHBondContact O-N 2.95Å; G81-G83 PolarHBondContact O-N 3.13Å; G81-I84 PolarHBondContact O-N 3.05Å; G81-I84 VanDerWaalsContact O-N 3.08Å; G81-Y137 VanDerWaalsContact CA-OH 3.23Å; G81-Y137 WeakPolarHBondContact CA-OH 3.08Å; G81-Y137 PolarHBondContact N-OH 2.69Å
82	V	98	Very high	94.5	Very high	97 Å²	97	47.7 Å²	47.7	59%	0.588	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	115.9	174.8	177.2	0	0	0	0	109.5	R134 L163	V82-R134 WeakPolarHBondContact O-CD 3.48Å; V82-R134 PolarHBondContact O-NE 2.83Å; V82-R134 VanDerWaalsContact O-NE 3.14Å; V82-L163 HydrophobicContact CG1-CD1 3.84Å; V82-L163 HydrophobicContact CG1-CD2 4.46Å
83	G	97.9	Very high	94.4	Very high	3 Å²	3	51 Å²	51	3%	0.031	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	24.9	-176	0	0	0	0	0	114.7	G81 Y165 I166	G81-G83 PolarHBondContact O-N 3.13Å; G83-Y165 WeakPolarHBondContact O-CA 3.22Å; G83-Y165 WeakPolarHBondContact O-CD1 3.25Å; G83-I166 PolarHBondContact O-N 2.99Å; G83-I166 VanDerWaalsContact O-N 3.08Å
84	I	98.3	Very high	94.3	Very high	10 Å²	10	48.1 Å²	48.1	5%	0.051	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-100.5	130.8	164.5	-55.8	-61.7	0	0	0	108.3	Y75 M78 G81 Y137 I166 F169	Y75-I84 HydrophobicContact CD1-CG2 4.36Å; M78-I84 HydrophobicContact CB-CG1 4.36Å; M78-I84 HydrophobicContact CB-CG2 3.96Å; G81-I84 PolarHBondContact O-N 3.05Å; G81-I84 VanDerWaalsContact O-N 3.08Å; I84-Y137 HydrophobicContact CD1-CD1 4.08Å; I84-Y137 HydrophobicContact CD1-CE1 4.34Å; I84-Y137 HydrophobicContact CG1-CD1 3.99Å; I84-Y137 HydrophobicContact CG1-CE1 3.85Å; I84-I166 HydrophobicContact CD1-CG2 3.97Å; I84-F169 HydrophobicContact CD1-CZ 4.04Å
85	P	96.9	Very high	94.2	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-62.9	141.6	177	-18.6	28.5	0	0	0	113	Y75 Q79 L104 Y165 I166 I167	Y75-P85 HydrophobicContact CE1-CB 4.31Å; Y75-P85 HydrophobicContact CE1-CG 3.92Å; Q79-P85 PolarHBondContact NE2-O 2.67Å; P85-L104 HydrophobicContact CG-CD1 4.13Å; P85-Y165 HydrophobicContact CG-CD1 4.19Å; P85-I166 WeakPolarHBondContact CD-O 3.25Å; P85-I167 HydrophobicContact CG-CG2 3.8Å
86	S	95.4	Very high	94.1	Very high	46 Å²	46	55.2 Å²	55.2	32%	0.322	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-75.1	123.6	172.7	-46.1	0	0	0	0	110.8	M101 E102	S86-M101 CarbonylContact O-C 3.5Å; S86-M101 VanDerWaalsContact O-CA 3.3Å; S86-M101 WeakPolarHBondContact O-CA 3.42Å; S86-E102 WeakPolarHBondContact CB-OE2 3.07Å; S86-E102 PolarHBondContact N-OE2 3.4Å; S86-E102 PolarHBondContact O-N 2.99Å; S86-E102 PolarHBondContact OG-OE2 3Å
87	I	95.1	Very high	94.1	Very high	31 Å²	31	49.7 Å²	49.7	16%	0.159	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	123.6	170.7	-60.9	-55	0	0	0	109.7	Y75 M99 M101	Y75-I87 HydrophobicContact CD1-CD1 4.14Å; Y75-I87 HydrophobicContact CD1-CG1 4.38Å; Y75-I87 HydrophobicContact CD2-CD1 3.84Å; Y75-I87 HydrophobicContact CD2-CG1 4.24Å; Y75-I87 HydrophobicContact CE2-CD1 4.34Å; Y75-I87 HydrophobicContact CG-CD1 3.74Å; Y75-I87 HydrophobicContact CG-CG1 3.81Å; I87-M99 HydrophobicContact CD1-CG 3.93Å; I87-M99 HydrophobicContact CD1-SD 3.62Å; I87-M99 HydrophobicContact CG1-SD 4.31Å; I87-M99 HydrophobicContact CG2-CG 4.39Å; I87-M101 HydrophobicContact CD1-CB 3.7Å; I87-M101 HydrophobicContact CD1-CE 4.36Å
88	K	94.4	Very high	94.2	Very high	66 Å²	66	45 Å²	45	29%	0.287	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-36	-177.5	-64.6	173.9	174.8	-73.7	0	112.4	E52 V54 V100	E52-K88 WeakPolarHBondContact OE1-CE 3.47Å; E52-K88 IonicContact OE1-NZ 2.69Å; E52-K88 PolarHBondContact OE1-NZ 2.89Å; E52-K88 WeakPolarHBondContact OE2-CE 3.35Å; E52-K88 IonicContact OE2-NZ 2.74Å; E52-K88 PolarHBondContact OE2-NZ 3.48Å; V54-K88 HydrophobicContact CG1-CD 3.53Å; K88-V100 HydrophobicContact CB-CG1 4.25Å; K88-V100 PolarHBondContact N-O 3.32Å
89	W	94.9	Very high	94.3	Very high	78 Å²	78	45 Å²	45	30%	0.295	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	156.3	176.5	-173.2	76.6	0	0	0	111.4	V24 Y28 V98 V100	V24-W89 HydrophobicContact CG1-CE3 3.87Å; V24-W89 HydrophobicContact CG1-CH2 4.31Å; V24-W89 HydrophobicContact CG1-CZ3 3.42Å; V24-W89 VanDerWaalsContact CG1-CZ3 3.42Å; Y28-W89 HydrophobicContact CE2-CB 3.7Å; Y28-W89 HydrophobicContact CE2-CG 4.21Å; W89-V98 HydrophobicContact CZ3-CB 3.98Å; W89-V98 HydrophobicContact CZ3-CG1 4.22Å; W89-V100 HydrophobicContact CB-CB 4.21Å; W89-V100 HydrophobicContact CB-CG2 4.42Å; W89-V100 HydrophobicContact CE3-CG2 4.11Å; W89-V100 PolarHBondContact N-O 2.78Å; W89-V100 PolarHBondContact O-N 3.36Å
90	C	94.3	Very high	94.5	Very high	30 Å²	30	41.6 Å²	41.6	20%	0.203	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	139.9	169.8	-174.8	0	0	0	0	108.9	S72 V98	S72-C90 VanDerWaalsContact CB-SG 3.57Å; S72-C90 PolarHBondContact OG-SG 3.36Å; S72-C90 VanDerWaalsContact OG-SG 3.41Å; C90-V98 VanDerWaalsContact CA-O 3.26Å; C90-V98 WeakPolarHBondContact CA-O 3.39Å; C90-V98 PolarHBondContact SG-O 3.01Å; C90-V98 VanDerWaalsContact SG-O 3.4Å
91	G	92.9	Very high	94.7	Very high	13 Å²	13	38.6 Å²	38.6	13%	0.134	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	-160.3	-179.5	0	0	0	0	0	111.7	V98	G91-V98 PolarHBondContact N-O 2.95Å; G91-V98 PolarHBondContact O-N 3.19Å
92	A	92	Very high	94.7	Very high	64 Å²	64	39.5 Å²	39.5	53%	0.529	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	147.8	171.2	0	0	0	0	0	110.4	Y96	A92-Y96 CarbonylContact C-O 3.44Å; A92-Y96 VanDerWaalsContact CA-O 3.3Å; A92-Y96 WeakPolarHBondContact CA-O 3.46Å
93	E	90.6	Very high	94.7	Very high	72 Å²	72	36.3 Å²	36.3	34%	0.336	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	105	179	-167.3	71.6	-99.3	0	0	108.2	V24 G25 D95 Y96 V98	V24-E93 WeakPolarHBondContact CA-OE2 3.3Å; G25-E93 PolarHBondContact N-OE2 2.99Å; E93-D95 PolarHBondContact O-N 2.86Å; E93-Y96 PolarHBondContact N-O 3.02Å; E93-Y96 PolarHBondContact O-N 2.85Å; E93-Y96 VanDerWaalsContact O-N 3.1Å; E93-V98 HydrophobicContact CB-CG2 3.89Å
94	G	88.8	Confident	94.6	Very high	73 Å²	73	37.1 Å²	37.1	75%	0.753	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	-125.5	-171.3	0	0	0	0	0	112.9	Y96	G94-Y96 PolarHBondContact O-N 2.87Å
95	D	90.9	Very high	94.6	Very high	76 Å²	76	37.2 Å²	37.2	41%	0.406	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	8.3	179.3	-98.3	-13	0	0	0	114.5	C60 V61 K62 E93	C60-D95 WeakPolarHBondContact CA-O 3.33Å; V61-D95 WeakPolarHBondContact CG2-O 3.44Å; V61-D95 PolarHBondContact N-O 2.82Å; K62-D95 WeakPolarHBondContact CE-OD1 3.37Å; K62-D95 IonicContact NZ-OD1 2.71Å; K62-D95 PolarHBondContact NZ-OD1 2.86Å; K62-D95 IonicContact NZ-OD2 2.81Å; K62-D95 PolarHBondContact NZ-OD2 2.83Å; E93-D95 PolarHBondContact O-N 2.86Å
96	Y	93	Very high	94.6	Very high	107 Å²	107	39.9 Å²	39.9	42%	0.42	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.2	-173.7	-64.7	-89.5	0	0	0	113.8	L58 E59 C60 A92 E93 G94	L58-Y96 HydrophobicContact CB-CD1 4.05Å; E59-Y96 CarbonylContact O-C 3.58Å; E59-Y96 WeakPolarHBondContact O-CA 3.4Å; C60-Y96 HydrophobicContact CB-CD1 4.22Å; C60-Y96 HydrophobicContact CB-CE1 3.97Å; A92-Y96 CarbonylContact C-O 3.44Å; A92-Y96 VanDerWaalsContact CA-O 3.3Å; A92-Y96 WeakPolarHBondContact CA-O 3.46Å; E93-Y96 PolarHBondContact N-O 3.02Å; E93-Y96 PolarHBondContact O-N 2.85Å; E93-Y96 VanDerWaalsContact O-N 3.1Å; G94-Y96 PolarHBondContact O-N 2.87Å
97	N	94.1	Very high	94.8	Very high	16 Å²	16	38.2 Å²	38.2	9%	0.086	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	138.1	152.1	-69.3	-28.3	0	0	0	108	E59 L68 H69	E59-N97 HydrophobicContact CB-CB 4.17Å; E59-N97 PolarHBondContact N-O 3.34Å; E59-N97 PolarHBondContact O-N 3.48Å; E59-N97 PolarHBondContact OE2-ND2 2.76Å; L68-N97 HydrophobicContact CB-CB 4.23Å; L68-N97 HydrophobicContact CD2-CB 3.94Å; L68-N97 WeakPolarHBondContact CD2-O 3.28Å; H69-N97 PolarHBondContact CE1-OD1 3.3Å; H69-N97 PolarHBondContact ND1-OD1 3.1Å
98	V	95.6	Very high	94.9	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	138	-174.6	-171.4	0	0	0	0	111.5	V24 I56 K57 L58 W89 C90 G91 E93 V100	V24-V98 HydrophobicContact CG1-CB 4.21Å; V24-V98 HydrophobicContact CG1-CG1 3.49Å; V24-V98 VanDerWaalsContact CG1-CG1 3.49Å; V24-V98 HydrophobicContact CG2-CG1 4.41Å; I56-V98 HydrophobicContact CG2-CG1 3.55Å; K57-V98 WeakPolarHBondContact O-CA 3.44Å; L58-V98 HydrophobicContact CD2-CB 4.02Å; L58-V98 HydrophobicContact CD2-CG1 3.57Å; L58-V98 HydrophobicContact CD2-CG2 3.54Å; W89-V98 HydrophobicContact CZ3-CB 3.98Å; W89-V98 HydrophobicContact CZ3-CG1 4.22Å; C90-V98 VanDerWaalsContact CA-O 3.26Å; C90-V98 WeakPolarHBondContact CA-O 3.39Å; C90-V98 PolarHBondContact SG-O 3.01Å; C90-V98 VanDerWaalsContact SG-O 3.4Å; G91-V98 PolarHBondContact N-O 2.95Å; G91-V98 PolarHBondContact O-N 3.19Å; E93-V98 HydrophobicContact CB-CG2 3.89Å; V98-V100 HydrophobicContact CG1-CG2 4.39Å
99	M	95.8	Very high	95.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	122.1	173	179.2	163.7	57.3	0	0	110.6	K57 L68 E71 S72 Y75 I87 M101	K57-M99 HydrophobicContact CD-CE 4.4Å; K57-M99 PolarHBondContact N-O 2.82Å; K57-M99 PolarHBondContact O-N 2.89Å; L68-M99 HydrophobicContact CD1-CB 4.15Å; L68-M99 HydrophobicContact CD1-CE 3.71Å; L68-M99 HydrophobicContact CD2-CB 4Å; L68-M99 HydrophobicContact CG-CB 4.02Å; L68-M99 HydrophobicContact CG-CE 4.37Å; E71-M99 HydrophobicContact CB-CE 4.31Å; E71-M99 HydrophobicContact CG-CE 3.97Å; S72-M99 VanDerWaalsContact CA-SD 3.58Å; S72-M99 WeakPolarHBondContact CB-SD 3.35Å; Y75-M99 HydrophobicContact CD2-CE 3.86Å; Y75-M99 HydrophobicContact CD2-SD 3.88Å; Y75-M99 HydrophobicContact CE2-CE 3.56Å; Y75-M99 HydrophobicContact CE2-SD 4.17Å; I87-M99 HydrophobicContact CD1-CG 3.93Å; I87-M99 HydrophobicContact CD1-SD 3.62Å; I87-M99 HydrophobicContact CG1-SD 4.31Å; I87-M99 HydrophobicContact CG2-CG 4.39Å; M99-M101 HydrophobicContact CE-CE 3.79Å; M99-M101 HydrophobicContact CG-CE 3.97Å; M99-M101 HydrophobicContact SD-CE 4.36Å
100	V	96.3	Very high	95.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.8	-179.7	-175.9	0	0	0	0	109.4	V24 Y28 V54 A55 I56 K88 W89 V98	V24-V100 HydrophobicContact CG1-CG2 4.2Å; Y28-V100 HydrophobicContact CD1-CG1 3.86Å; Y28-V100 HydrophobicContact CD2-CB 4.46Å; Y28-V100 HydrophobicContact CD2-CG1 4.28Å; Y28-V100 HydrophobicContact CD2-CG2 3.89Å; Y28-V100 HydrophobicContact CE1-CG1 3.82Å; Y28-V100 HydrophobicContact CE2-CB 4.38Å; Y28-V100 HydrophobicContact CE2-CG1 4.25Å; Y28-V100 HydrophobicContact CE2-CG2 4.21Å; Y28-V100 HydrophobicContact CG-CG1 4.09Å; Y28-V100 HydrophobicContact CG-CG2 4.19Å; V54-V100 HydrophobicContact CB-CG1 3.79Å; V54-V100 HydrophobicContact CG1-CG1 4.11Å; V54-V100 HydrophobicContact CG2-CG1 3.76Å; A55-V100 WeakPolarHBondContact O-CA 3.3Å; I56-V100 HydrophobicContact CD1-CG2 4.38Å; I56-V100 HydrophobicContact CG1-CG1 4.31Å; I56-V100 HydrophobicContact CG1-CG2 4.14Å; I56-V100 HydrophobicContact CG2-CG2 4.24Å; K88-V100 HydrophobicContact CB-CG1 4.25Å; K88-V100 PolarHBondContact N-O 3.32Å; W89-V100 HydrophobicContact CB-CB 4.21Å; W89-V100 HydrophobicContact CB-CG2 4.42Å; W89-V100 HydrophobicContact CE3-CG2 4.11Å; W89-V100 PolarHBondContact N-O 2.78Å; W89-V100 PolarHBondContact O-N 3.36Å; V98-V100 HydrophobicContact CG1-CG2 4.39Å
101	M	96.4	Very high	95.5	Very high	17 Å²	17	34.3 Å²	34.3	8%	0.084	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	165.7	-172.9	67.3	-170.2	70.3	0	0	113	A55 K57 S86 I87 M99 L103	A55-M101 HydrophobicContact CB-CG 3.78Å; A55-M101 PolarHBondContact N-O 2.93Å; A55-M101 PolarHBondContact O-N 2.85Å; K57-M101 HydrophobicContact CB-CE 4.2Å; S86-M101 CarbonylContact O-C 3.5Å; S86-M101 VanDerWaalsContact O-CA 3.3Å; S86-M101 WeakPolarHBondContact O-CA 3.42Å; I87-M101 HydrophobicContact CD1-CB 3.7Å; I87-M101 HydrophobicContact CD1-CE 4.36Å; M99-M101 HydrophobicContact CE-CE 3.79Å; M99-M101 HydrophobicContact CG-CE 3.97Å; M99-M101 HydrophobicContact SD-CE 4.36Å; M101-L103 PolarHBondContact O-N 3.39Å
102	E	96.7	Very high	95.7	Very high	28 Å²	28	33.7 Å²	33.7	13%	0.131	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47	122.6	168.2	-176.4	174.1	176.3	0	0	111.1	S86 L104 K160 Y165	S86-E102 WeakPolarHBondContact CB-OE2 3.07Å; S86-E102 PolarHBondContact N-OE2 3.4Å; S86-E102 PolarHBondContact O-N 2.99Å; S86-E102 PolarHBondContact OG-OE2 3Å; E102-L104 HydrophobicContact CG-CD2 4.28Å; E102-K160 IonicContact OE1-NZ 2.96Å; E102-K160 PolarHBondContact OE1-NZ 2.81Å; E102-Y165 PolarHBondContact OE1-OH 3.45Å
103	L	97.6	Very high	96	Very high	31 Å²	31	34.1 Å²	34.1	16%	0.162	19%	0.194	C	C	.	.			trans	-70.6	136	172.5	-175.4	65.4	0	0	0	109.5	I34 L44 E53 A55 M101 L157	I34-L103 HydrophobicContact CD1-CD1 4.26Å; L44-L103 HydrophobicContact CD1-CD1 4.13Å; L44-L103 HydrophobicContact CD1-CD2 3.58Å; E53-L103 HydrophobicContact CB-CD2 3.65Å; A55-L103 HydrophobicContact CB-CD1 4.1Å; M101-L103 PolarHBondContact O-N 3.39Å; L103-L157 HydrophobicContact CB-CD1 4.37Å; L103-L157 HydrophobicContact CD2-CD1 4.27Å; L103-L157 HydrophobicContact CG-CD1 4.06Å; L103-L157 WeakPolarHBondContact O-CD1 3.43Å
104	L	97.8	Very high	96.3	Very high	20 Å²	20	33.7 Å²	33.7	11%	0.105	19%	0.192	C	C	.	.			trans	-116	171.8	177.9	-63.3	-178.4	0	0	0	111.1	P85 E102 L154 Y165 I167	P85-L104 HydrophobicContact CG-CD1 4.13Å; E102-L104 HydrophobicContact CG-CD2 4.28Å; L104-L154 HydrophobicContact CB-CB 4.13Å; L104-L154 HydrophobicContact CB-CD2 3.83Å; L104-L154 HydrophobicContact CD1-CB 4.02Å; L104-L154 HydrophobicContact CD1-CD2 4.19Å; L104-Y165 HydrophobicContact CD1-CD1 3.73Å; L104-Y165 HydrophobicContact CD1-CD2 4.39Å; L104-Y165 HydrophobicContact CD1-CE1 4.41Å; L104-Y165 HydrophobicContact CD1-CG 3.69Å; L104-Y165 HydrophobicContact CD2-CD1 3.78Å; L104-Y165 HydrophobicContact CD2-CD2 3.91Å; L104-Y165 HydrophobicContact CD2-CE1 3.66Å; L104-Y165 HydrophobicContact CD2-CE2 3.81Å; L104-Y165 HydrophobicContact CD2-CG 3.89Å; L104-Y165 HydrophobicContact CG-CD1 4.42Å; L104-Y165 HydrophobicContact CG-CG 4.48Å; L104-I167 HydrophobicContact CD1-CG2 4.03Å
105	G	97.8	Very high	96.8	Very high	12 Å²	12	30.8 Å²	30.8	12%	0.124	16%	0.16	C	C	.	.			trans	-78.2	-168.4	172.5	0	0	0	0	0	113	L154 M155	G105-L154 WeakPolarHBondContact O-CD2 3.28Å; G105-M155 VanDerWaalsContact CA-O 3.28Å; G105-M155 WeakPolarHBondContact CA-O 3.37Å; G105-M155 PolarHBondContact N-O 2.59Å
106	P	97.3	Very high	97.1	Very high	56 Å²	56	30.7 Å²	30.7	36%	0.364	17%	0.165	S	C	.	.			trans	-62.6	156.2	-179.1	26.9	-35.7	0	0	0	112.8	D110 L111 L154 M155	P106-D110 HydrophobicContact CB-CB 3.82Å; P106-L111 HydrophobicContact CB-CD2 4.34Å; P106-L111 HydrophobicContact CB-CG 4.12Å; P106-L111 HydrophobicContact CG-CD1 4.12Å; P106-L111 HydrophobicContact CG-CD2 3.65Å; P106-L111 HydrophobicContact CG-CG 3.79Å; P106-L154 WeakPolarHBondContact O-CA 3.26Å; P106-M155 PolarHBondContact O-N 2.76Å; P106-M155 VanDerWaalsContact O-N 3.07Å
107	S	98.2	Very high	97.3	Very high	11 Å²	11	29.3 Å²	29.3	8%	0.077	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-72.2	166.4	172.1	73.4	0	0	0	0	112	E109 D110 L111 F153	S107-E109 PolarHBondContact O-N 3Å; S107-E109 PolarHBondContact OG-N 2.68Å; S107-D110 VanDerWaalsContact CB-OD2 3.28Å; S107-D110 WeakPolarHBondContact CB-OD2 3.39Å; S107-D110 PolarHBondContact N-OD2 3.3Å; S107-D110 PolarHBondContact O-N 3.08Å; S107-D110 PolarHBondContact OG-N 2.9Å; S107-D110 VanDerWaalsContact OG-N 3.12Å; S107-D110 PolarHBondContact OG-OD2 3.31Å; S107-L111 WeakPolarHBondContact O-CG 3.01Å; S107-L111 PolarHBondContact O-N 2.85Å; S107-F153 CarbonylContact C-O 3.5Å; S107-F153 VanDerWaalsContact CA-O 3.25Å; S107-F153 WeakPolarHBondContact CA-O 3.39Å
108	L	98.8	Very high	97.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.1	-24.9	172.8	-60.5	-175.8	0	0	0	112.3	L111 F112 L127 M131 P150 F153 M155 F225 W309	L108-L111 HydrophobicContact CD2-CD1 4.31Å; L108-F112 WeakPolarHBondContact O-CB 3.12Å; L108-F112 PolarHBondContact O-N 3.2Å; L108-L127 HydrophobicContact CD1-CD1 4.24Å; L108-L127 HydrophobicContact CD1-CD2 3.93Å; L108-L127 HydrophobicContact CD2-CD1 4.17Å; L108-L127 HydrophobicContact CD2-CD2 3.6Å; L108-L127 HydrophobicContact CG-CD2 4.44Å; L108-M131 HydrophobicContact CD1-CE 3.76Å; L108-M131 HydrophobicContact CD1-SD 3.84Å; L108-P150 HydrophobicContact CB-CB 4.28Å; L108-P150 PolarHBondContact N-O 2.64Å; L108-F153 HydrophobicContact CD1-CB 3.59Å; L108-F153 HydrophobicContact CD1-CG 4.31Å; L108-F153 HydrophobicContact CG-CB 3.81Å; L108-F153 PolarHBondContact N-O 2.78Å; L108-M155 HydrophobicContact CD2-CG 4.5Å; L108-M155 HydrophobicContact CD2-SD 4.09Å; L108-F225 HydrophobicContact CB-CE1 4.25Å; L108-F225 HydrophobicContact CB-CZ 3.69Å; L108-F225 HydrophobicContact CD1-CE2 4.19Å; L108-F225 HydrophobicContact CD1-CZ 4.02Å; L108-W309 HydrophobicContact CD2-CH2 4.4Å
109	E	98.3	Very high	97.7	Very high	24 Å²	24	37.2 Å²	37.2	11%	0.112	19%	0.193	C	C	.	.	H	α-helix	trans	-70.1	-43.4	171.1	-173	60	-147.4	0	0	111.1	S107 L111 F112 N113 R117 P150 Y224	S107-E109 PolarHBondContact O-N 3Å; S107-E109 PolarHBondContact OG-N 2.68Å; E109-L111 VanDerWaalsContact C-N 3.35Å; E109-L111 PolarHBondContact O-N 3.09Å; E109-F112 PolarHBondContact O-N 2.8Å; E109-N113 PolarHBondContact O-N 2.89Å; E109-N113 PolarHBondContact O-ND2 3.47Å; E109-N113 PolarHBondContact OE1-ND2 3.26Å; E109-R117 IonicContact OE1-CZ 3.66Å; E109-R117 IonicContact OE1-NH1 2.64Å; E109-R117 PolarHBondContact OE1-NH1 3.02Å; E109-P150 HydrophobicContact CB-CB 4.03Å; E109-Y224 PolarHBondContact OE1-OH 3.06Å; E109-Y224 WeakPolarHBondContact OE2-CE1 3.35Å; E109-Y224 VanDerWaalsContact OE2-CZ 3.3Å; E109-Y224 PolarHBondContact OE2-OH 2.96Å
110	D	97.8	Very high	97.8	Very high	92 Å²	92	39.4 Å²	39.4	49%	0.492	21%	0.208	S	C	.	.	H	α-helix	trans	-60.3	-46.4	176.5	-60.6	-55.5	0	0	0	110.9	P106 S107 F112 N113 F114	P106-D110 HydrophobicContact CB-CB 3.82Å; S107-D110 VanDerWaalsContact CB-OD2 3.28Å; S107-D110 WeakPolarHBondContact CB-OD2 3.39Å; S107-D110 PolarHBondContact N-OD2 3.3Å; S107-D110 PolarHBondContact O-N 3.08Å; S107-D110 PolarHBondContact OG-N 2.9Å; S107-D110 VanDerWaalsContact OG-N 3.12Å; S107-D110 PolarHBondContact OG-OD2 3.31Å; D110-F112 VanDerWaalsContact C-N 3.35Å; D110-N113 PolarHBondContact O-N 3.42Å; D110-F114 WeakPolarHBondContact O-CB 3.23Å; D110-F114 PolarHBondContact O-N 2.92Å
111	L	98.6	Very high	97.9	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-65.9	-36.4	177.5	-70.5	171.6	0	0	0	112.2	P106 S107 L108 E109 F114 C115 F119 M155 W309	P106-L111 HydrophobicContact CB-CD2 4.34Å; P106-L111 HydrophobicContact CB-CG 4.12Å; P106-L111 HydrophobicContact CG-CD1 4.12Å; P106-L111 HydrophobicContact CG-CD2 3.65Å; P106-L111 HydrophobicContact CG-CG 3.79Å; S107-L111 WeakPolarHBondContact O-CG 3.01Å; S107-L111 PolarHBondContact O-N 2.85Å; L108-L111 HydrophobicContact CD2-CD1 4.31Å; E109-L111 VanDerWaalsContact C-N 3.35Å; E109-L111 PolarHBondContact O-N 3.09Å; L111-F114 PolarHBondContact O-N 2.71Å; L111-C115 WeakPolarHBondContact O-CB 3.49Å; L111-C115 PolarHBondContact O-N 3.21Å; L111-C115 PolarHBondContact O-SG 3.38Å; L111-C115 VanDerWaalsContact O-SG 3.38Å; L111-F119 HydrophobicContact CB-CZ 4.22Å; L111-M155 HydrophobicContact CD1-CB 4.43Å; L111-M155 HydrophobicContact CD1-CG 3.42Å; L111-M155 VanDerWaalsContact CD1-CG 3.42Å; L111-W309 HydrophobicContact CB-CD2 4.3Å; L111-W309 HydrophobicContact CB-CE3 3.87Å; L111-W309 HydrophobicContact CB-CZ3 4.2Å; L111-W309 HydrophobicContact CD1-CD2 3.94Å; L111-W309 HydrophobicContact CD1-CE3 4.09Å; L111-W309 HydrophobicContact CD1-CH2 4.09Å; L111-W309 HydrophobicContact CD1-CZ2 3.92Å; L111-W309 HydrophobicContact CD1-CZ3 4.17Å; L111-W309 HydrophobicContact CD2-CB 3.97Å; L111-W309 HydrophobicContact CD2-CD2 3.87Å; L111-W309 HydrophobicContact CD2-CE3 4.31Å; L111-W309 HydrophobicContact CD2-CG 3.73Å; L111-W309 HydrophobicContact CG-CD2 4.26Å; L111-W309 HydrophobicContact CG-CE3 4.32Å
112	F	98.5	Very high	98	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.3	-43.6	175.1	-168.5	-129.4	0	0	0	111.4	L108 E109 D110 C115 S116 R117 F119 Y224 F225	L108-F112 WeakPolarHBondContact O-CB 3.12Å; L108-F112 PolarHBondContact O-N 3.2Å; E109-F112 PolarHBondContact O-N 2.8Å; D110-F112 VanDerWaalsContact C-N 3.35Å; F112-C115 CarbonylContact O-C 3.38Å; F112-C115 PolarHBondContact O-N 3.48Å; F112-S116 PolarHBondContact O-N 3.26Å; F112-R117 HydrophobicContact CD1-CB 4.3Å; F112-R117 HydrophobicContact CD1-CG 4.46Å; F112-R117 HydrophobicContact CE1-CB 4.07Å; F112-R117 VanDerWaalsContact CE2-C 3.45Å; F112-R117 VanDerWaalsContact CZ-C 3.49Å; F112-R117 HydrophobicContact CZ-CB 4.41Å; F112-R117 VanDerWaalsContact CZ-O 3.24Å; F112-R117 WeakPolarHBondContact CZ-O 3.44Å; F112-R117 VanDerWaalsContact O-CA 3.24Å; F112-R117 WeakPolarHBondContact O-CA 3.46Å; F112-R117 PolarHBondContact O-N 2.76Å; F112-F119 VanDerWaalsContact CA-CZ 3.47Å; F112-F119 HydrophobicContact CB-CE1 4.27Å; F112-F119 HydrophobicContact CB-CE2 4.04Å; F112-F119 HydrophobicContact CB-CZ 3.72Å; F112-F119 AromaticContact CD2-CD1 3.94Å; F112-F119 HydrophobicContact CD2-CD1 3.94Å; F112-F119 AromaticContact CD2-CD2 3.65Å; F112-F119 HydrophobicContact CD2-CD2 3.65Å; F112-F119 AromaticContact CD2-CE1 3.98Å; F112-F119 HydrophobicContact CD2-CE1 3.98Å; F112-F119 AromaticContact CD2-CE2 3.69Å; F112-F119 HydrophobicContact CD2-CE2 3.69Å; F112-F119 AromaticContact CD2-CG 3.77Å; F112-F119 HydrophobicContact CD2-CG 3.77Å; F112-F119 AromaticContact CD2-CZ 3.86Å; F112-F119 HydrophobicContact CD2-CZ 3.86Å; F112-F119 HydrophobicContact CE2-CB 4.47Å; F112-F119 HydrophobicContact CE2-CD2 4.12Å; F112-F119 HydrophobicContact CE2-CG 4.13Å; F112-F119 HydrophobicContact CG-CE2 4.28Å; F112-F119 HydrophobicContact CG-CZ 4.3Å; F112-Y224 HydrophobicContact CD1-CE1 4.01Å; F112-Y224 HydrophobicContact CE1-CD1 4.42Å; F112-Y224 AromaticContact CE1-CE1 3.98Å; F112-Y224 HydrophobicContact CE1-CE1 3.98Å; F112-F225 HydrophobicContact CB-CD1 4.42Å; F112-F225 HydrophobicContact CB-CE1 4.34Å; F112-F225 HydrophobicContact CD1-CD1 4.28Å; F112-F225 AromaticContact CD2-CD1 3.89Å; F112-F225 HydrophobicContact CD2-CD1 3.89Å; F112-F225 HydrophobicContact CE1-CD1 4.44Å; F112-F225 HydrophobicContact CE2-CB 4.27Å; F112-F225 HydrophobicContact CE2-CD1 4.07Å; F112-F225 WeakPolarHBondContact CE2-O 3.19Å; F112-F225 AromaticContact CG-CD1 3.98Å; F112-F225 HydrophobicContact CG-CD1 3.98Å; F112-F225 HydrophobicContact CG-CE1 4.35Å; F112-F225 HydrophobicContact CZ-CD1 4.33Å; F112-F225 WeakPolarHBondContact CZ-O 3.4Å
113	N	98	Very high	98.1	Very high	73 Å²	73	40.6 Å²	40.6	39%	0.39	21%	0.214	S	C	.	.	H	α-helix	trans	-67.2	-37.4	175.1	-70.3	-64.8	0	0	0	112.3	E109 D110 C115 S116 R117	E109-N113 PolarHBondContact O-N 2.89Å; E109-N113 PolarHBondContact O-ND2 3.47Å; E109-N113 PolarHBondContact OE1-ND2 3.26Å; D110-N113 PolarHBondContact O-N 3.42Å; N113-C115 VanDerWaalsContact C-N 3.33Å; N113-C115 PolarHBondContact O-N 3.25Å; N113-S116 WeakPolarHBondContact O-CA 3.36Å; N113-S116 PolarHBondContact O-N 3.15Å; N113-R117 WeakPolarHBondContact OD1-CD 3.27Å; N113-R117 VanDerWaalsContact OD1-CG 3.27Å; N113-R117 WeakPolarHBondContact OD1-CG 3.17Å; N113-R117 PolarHBondContact OD1-NH1 2.95Å
114	F	97.3	Very high	98.2	Very high	64 Å²	64	39.1 Å²	39.1	28%	0.281	21%	0.206	S	C	.	.	H	α-helix	trans	-60.7	-40.4	172.1	178.4	-105.1	0	0	0	112.4	D110 L111 S116 W309 L312	D110-F114 WeakPolarHBondContact O-CB 3.23Å; D110-F114 PolarHBondContact O-N 2.92Å; L111-F114 PolarHBondContact O-N 2.71Å; F114-S116 PolarHBondContact O-N 3.14Å; F114-S116 VanDerWaalsContact O-N 3.16Å; F114-W309 HydrophobicContact CD1-CB 3.9Å; F114-W309 HydrophobicContact CE1-CB 4.01Å; F114-L312 HydrophobicContact CD1-CD1 4.06Å; F114-L312 HydrophobicContact CE1-CB 3.76Å; F114-L312 HydrophobicContact CE1-CD1 3.87Å; F114-L312 HydrophobicContact CE1-CG 4.49Å; F114-L312 HydrophobicContact CZ-CB 4.1Å
115	C	97.8	Very high	98.2	Very high	11 Å²	11	38.4 Å²	38.4	7%	0.074	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	22	170.8	-64.5	0	0	0	0	113.5	L111 F112 N113 R117 K118 F119 L312	L111-C115 WeakPolarHBondContact O-CB 3.49Å; L111-C115 PolarHBondContact O-N 3.21Å; L111-C115 PolarHBondContact O-SG 3.38Å; L111-C115 VanDerWaalsContact O-SG 3.38Å; F112-C115 CarbonylContact O-C 3.38Å; F112-C115 PolarHBondContact O-N 3.48Å; N113-C115 VanDerWaalsContact C-N 3.33Å; N113-C115 PolarHBondContact O-N 3.25Å; C115-R117 VanDerWaalsContact C-N 3.25Å; C115-R117 PolarHBondContact O-N 3.09Å; C115-K118 WeakPolarHBondContact CB-O 3.34Å; C115-K118 PolarHBondContact O-N 2.9Å; C115-F119 HydrophobicContact CB-CD1 3.94Å; C115-F119 HydrophobicContact CB-CE1 3.85Å; C115-L312 HydrophobicContact CB-CD1 4.39Å
116	S	97.5	Very high	98.3	Very high	75 Å²	75	37.9 Å²	37.9	52%	0.524	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	35.8	176.3	-54.6	0	0	0	0	114.1	F112 N113 F114 K118	F112-S116 PolarHBondContact O-N 3.26Å; N113-S116 WeakPolarHBondContact O-CA 3.36Å; N113-S116 PolarHBondContact O-N 3.15Å; F114-S116 PolarHBondContact O-N 3.14Å; F114-S116 VanDerWaalsContact O-N 3.16Å; S116-K118 VanDerWaalsContact C-N 3.31Å; S116-K118 PolarHBondContact O-N 2.95Å
117	R	97.9	Very high	98.4	Very high	77 Å²	77	35.2 Å²	35.2	29%	0.291	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	34.6	179.8	-56.3	-171.3	61.4	74.6	9.8	114.4	E109 F112 N113 C115 Y224 G228	E109-R117 IonicContact OE1-CZ 3.66Å; E109-R117 IonicContact OE1-NH1 2.64Å; E109-R117 PolarHBondContact OE1-NH1 3.02Å; F112-R117 HydrophobicContact CD1-CB 4.3Å; F112-R117 HydrophobicContact CD1-CG 4.46Å; F112-R117 HydrophobicContact CE1-CB 4.07Å; F112-R117 VanDerWaalsContact CE2-C 3.45Å; F112-R117 VanDerWaalsContact CZ-C 3.49Å; F112-R117 HydrophobicContact CZ-CB 4.41Å; F112-R117 VanDerWaalsContact CZ-O 3.24Å; F112-R117 WeakPolarHBondContact CZ-O 3.44Å; F112-R117 VanDerWaalsContact O-CA 3.24Å; F112-R117 WeakPolarHBondContact O-CA 3.46Å; F112-R117 PolarHBondContact O-N 2.76Å; N113-R117 WeakPolarHBondContact OD1-CD 3.27Å; N113-R117 VanDerWaalsContact OD1-CG 3.27Å; N113-R117 WeakPolarHBondContact OD1-CG 3.17Å; N113-R117 PolarHBondContact OD1-NH1 2.95Å; C115-R117 VanDerWaalsContact C-N 3.25Å; C115-R117 PolarHBondContact O-N 3.09Å; R117-Y224 VanDerWaalsContact NH2-CZ 3.29Å; R117-Y224 PolarHBondContact NH2-OH 3.12Å; R117-G228 PolarHBondContact NH2-O 3.08Å
118	K	98.1	Very high	98.4	Very high	163 Å²	163	34.7 Å²	34.7	71%	0.709	18%	0.176	S	C	*	.			trans	-138.4	132.7	172	-65.4	-176.8	178.5	-176.4	0	109.3	C115 S116	C115-K118 WeakPolarHBondContact CB-O 3.34Å; C115-K118 PolarHBondContact O-N 2.9Å; S116-K118 VanDerWaalsContact C-N 3.31Å; S116-K118 PolarHBondContact O-N 2.95Å
119	F	98.8	Very high	98.4	Very high	21 Å²	21	35.3 Å²	35.3	9%	0.092	18%	0.179	C	C	.	.			trans	-113.4	151.7	164.1	-72.8	-30.1	0	0	0	109.8	L111 F112 C115 T123 V124 L127 F225 D308 W309	L111-F119 HydrophobicContact CB-CZ 4.22Å; F112-F119 VanDerWaalsContact CA-CZ 3.47Å; F112-F119 HydrophobicContact CB-CE1 4.27Å; F112-F119 HydrophobicContact CB-CE2 4.04Å; F112-F119 HydrophobicContact CB-CZ 3.72Å; F112-F119 AromaticContact CD2-CD1 3.94Å; F112-F119 HydrophobicContact CD2-CD1 3.94Å; F112-F119 AromaticContact CD2-CD2 3.65Å; F112-F119 HydrophobicContact CD2-CD2 3.65Å; F112-F119 AromaticContact CD2-CE1 3.98Å; F112-F119 HydrophobicContact CD2-CE1 3.98Å; F112-F119 AromaticContact CD2-CE2 3.69Å; F112-F119 HydrophobicContact CD2-CE2 3.69Å; F112-F119 AromaticContact CD2-CG 3.77Å; F112-F119 HydrophobicContact CD2-CG 3.77Å; F112-F119 AromaticContact CD2-CZ 3.86Å; F112-F119 HydrophobicContact CD2-CZ 3.86Å; F112-F119 HydrophobicContact CE2-CB 4.47Å; F112-F119 HydrophobicContact CE2-CD2 4.12Å; F112-F119 HydrophobicContact CE2-CG 4.13Å; F112-F119 HydrophobicContact CG-CE2 4.28Å; F112-F119 HydrophobicContact CG-CZ 4.3Å; C115-F119 HydrophobicContact CB-CD1 3.94Å; C115-F119 HydrophobicContact CB-CE1 3.85Å; F119-T123 HydrophobicContact CB-CG2 3.84Å; F119-T123 HydrophobicContact CD1-CG2 3.82Å; F119-T123 HydrophobicContact CD2-CG2 3.93Å; F119-T123 HydrophobicContact CE1-CG2 4.33Å; F119-T123 HydrophobicContact CE2-CG2 4.43Å; F119-T123 HydrophobicContact CG-CG2 3.61Å; F119-V124 HydrophobicContact CB-CG2 3.81Å; F119-L127 HydrophobicContact CD2-CD1 4.18Å; F119-L127 HydrophobicContact CE2-CD1 3.92Å; F119-F225 HydrophobicContact CD2-CB 3.94Å; F119-F225 AromaticContact CD2-CD1 3.84Å; F119-F225 HydrophobicContact CD2-CD1 3.84Å; F119-F225 HydrophobicContact CD2-CD2 4.45Å; F119-F225 HydrophobicContact CD2-CE1 4.46Å; F119-F225 AromaticContact CD2-CG 3.85Å; F119-F225 HydrophobicContact CD2-CG 3.85Å; F119-F225 AromaticContact CE2-CD1 3.69Å; F119-F225 HydrophobicContact CE2-CD1 3.69Å; F119-F225 AromaticContact CE2-CE1 3.87Å; F119-F225 HydrophobicContact CE2-CE1 3.87Å; F119-F225 HydrophobicContact CE2-CG 4.07Å; F119-F225 HydrophobicContact CE2-CZ 4.38Å; F119-D308 WeakPolarHBondContact CA-OD2 3.47Å; F119-W309 HydrophobicContact CD1-CZ3 4.48Å; F119-W309 AromaticContact CE1-CE3 3.8Å; F119-W309 HydrophobicContact CE1-CE3 3.8Å; F119-W309 AromaticContact CE1-CZ3 3.74Å; F119-W309 HydrophobicContact CE1-CZ3 3.74Å; F119-W309 HydrophobicContact CE2-CZ3 4.38Å; F119-W309 HydrophobicContact CZ-CE3 4.12Å; F119-W309 AromaticContact CZ-CZ3 3.68Å; F119-W309 HydrophobicContact CZ-CZ3 3.68Å
120	S	98.6	Very high	98.4	Very high	45 Å²	45	34.9 Å²	34.9	32%	0.315	18%	0.177	S	C	.	.			trans	-71.5	155.3	167.9	69.6	0	0	0	0	110.6	K122 T123 V124 D308	S120-K122 PolarHBondContact O-N 3.42Å; S120-T123 PolarHBondContact O-N 3.31Å; S120-T123 PolarHBondContact OG-N 3.23Å; S120-T123 PolarHBondContact OG-OG1 3.27Å; S120-V124 PolarHBondContact O-N 3.11Å; S120-D308 VanDerWaalsContact CB-OD1 3.28Å; S120-D308 WeakPolarHBondContact CB-OD1 3.36Å; S120-D308 PolarHBondContact N-OD2 3.1Å; S120-D308 PolarHBondContact OG-OD1 2.82Å
121	L	98.8	Very high	98.5	Very high	38 Å²	38	30.5 Å²	30.5	20%	0.199	15%	0.154	C	C	.	.	H	α-helix	trans	-56	-37.8	174.1	-179.1	62.1	0	0	0	111.4	T123 V124 L125 P264 F267 L295 Q299 F301	L121-T123 PolarHBondContact O-N 3.08Å; L121-V124 PolarHBondContact O-N 2.94Å; L121-L125 HydrophobicContact CD1-CD1 3.95Å; L121-L125 HydrophobicContact CD1-CD2 4.38Å; L121-L125 HydrophobicContact CD1-CG 3.98Å; L121-L125 HydrophobicContact CD2-CD1 4.44Å; L121-L125 HydrophobicContact CG-CD1 3.79Å; L121-L125 HydrophobicContact CG-CG 4.25Å; L121-L125 WeakPolarHBondContact O-CB 3.18Å; L121-L125 WeakPolarHBondContact O-CG 3.31Å; L121-L125 PolarHBondContact O-N 3.39Å; L121-P264 HydrophobicContact CD1-CG 4.29Å; L121-P264 HydrophobicContact CD2-CG 3.96Å; L121-F267 HydrophobicContact CD1-CE2 3.73Å; L121-F267 HydrophobicContact CD1-CZ 3.87Å; L121-L295 HydrophobicContact CD1-CD2 4.49Å; L121-Q299 HydrophobicContact CD2-CG 4.11Å; L121-F301 HydrophobicContact CB-CE2 4.23Å; L121-F301 HydrophobicContact CB-CZ 4.32Å; L121-F301 HydrophobicContact CD2-CE2 4.22Å; L121-F301 HydrophobicContact CD2-CZ 4.46Å; L121-F301 HydrophobicContact CG-CE2 4.08Å
122	K	98.7	Very high	98.5	Very high	33 Å²	33	30.2 Å²	30.2	14%	0.143	15%	0.152	C	C	.	.	H	α-helix	trans	-55.3	-51.4	173.7	-174.1	-170.5	177.4	-165.2	0	111.4	S120 L125 L126 F296 F301 S302 D304 V306	S120-K122 PolarHBondContact O-N 3.42Å; K122-L125 PolarHBondContact O-N 2.7Å; K122-L126 HydrophobicContact CG-CD1 4.22Å; K122-L126 WeakPolarHBondContact O-CG 3.31Å; K122-L126 PolarHBondContact O-N 2.95Å; K122-F296 HydrophobicContact CG-CE2 3.69Å; K122-F296 HydrophobicContact CG-CZ 4.1Å; K122-F301 HydrophobicContact CB-CD1 4.28Å; K122-F301 HydrophobicContact CB-CD2 3.88Å; K122-F301 HydrophobicContact CB-CE1 4.35Å; K122-F301 HydrophobicContact CB-CE2 3.96Å; K122-F301 HydrophobicContact CB-CG 4.05Å; K122-F301 HydrophobicContact CB-CZ 4.2Å; K122-F301 HydrophobicContact CG-CB 4.16Å; K122-F301 HydrophobicContact CG-CD1 4.48Å; K122-F301 HydrophobicContact CG-CD2 4.17Å; K122-F301 HydrophobicContact CG-CG 4.04Å; K122-S302 VanDerWaalsContact CE-O 3.26Å; K122-S302 WeakPolarHBondContact CE-O 3.39Å; K122-D304 WeakPolarHBondContact CE-OD1 3.29Å; K122-D304 IonicContact NZ-OD1 2.72Å; K122-D304 PolarHBondContact NZ-OD1 3.4Å; K122-D304 IonicContact NZ-OD2 3.49Å; K122-D304 PolarHBondContact NZ-OD2 3.36Å; K122-V306 PolarHBondContact NZ-O 2.84Å
123	T	98.8	Very high	98.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.9	-44.5	178.6	-72.6	0	0	0	0	112	F119 S120 L121 L125 L126 L127 F307 D308 W309	F119-T123 HydrophobicContact CB-CG2 3.84Å; F119-T123 HydrophobicContact CD1-CG2 3.82Å; F119-T123 HydrophobicContact CD2-CG2 3.93Å; F119-T123 HydrophobicContact CE1-CG2 4.33Å; F119-T123 HydrophobicContact CE2-CG2 4.43Å; F119-T123 HydrophobicContact CG-CG2 3.61Å; S120-T123 PolarHBondContact O-N 3.31Å; S120-T123 PolarHBondContact OG-N 3.23Å; S120-T123 PolarHBondContact OG-OG1 3.27Å; L121-T123 PolarHBondContact O-N 3.08Å; T123-L125 VanDerWaalsContact C-N 3.34Å; T123-L125 PolarHBondContact O-N 2.75Å; T123-L126 PolarHBondContact O-N 3.22Å; T123-L127 HydrophobicContact CG2-CD1 4Å; T123-L127 WeakPolarHBondContact O-CB 3.28Å; T123-L127 VanDerWaalsContact O-CG 3.27Å; T123-L127 WeakPolarHBondContact O-CG 3.43Å; T123-L127 PolarHBondContact O-N 3.41Å; T123-F307 HydrophobicContact CG2-CB 4.4Å; T123-F307 HydrophobicContact CG2-CD1 4.19Å; T123-F307 WeakPolarHBondContact OG1-CA 3.27Å; T123-D308 VanDerWaalsContact CB-OD2 3.23Å; T123-D308 WeakPolarHBondContact CB-OD2 3.43Å; T123-D308 PolarHBondContact OG1-N 3.25Å; T123-D308 VanDerWaalsContact OG1-N 3.07Å; T123-D308 PolarHBondContact OG1-OD1 2.98Å; T123-D308 PolarHBondContact OG1-OD2 3.47Å; T123-D308 VanDerWaalsContact OG1-OD2 3.06Å; T123-W309 HydrophobicContact CG2-CH2 4.29Å; T123-W309 HydrophobicContact CG2-CZ3 3.76Å
124	V	98.9	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.3	-39.6	178.3	177.9	0	0	0	0	111.8	F119 S120 L121 L127 A128 L222 F225 F267	F119-V124 HydrophobicContact CB-CG2 3.81Å; S120-V124 PolarHBondContact O-N 3.11Å; L121-V124 PolarHBondContact O-N 2.94Å; V124-L127 PolarHBondContact O-N 3.09Å; V124-A128 WeakPolarHBondContact O-CB 3.44Å; V124-A128 PolarHBondContact O-N 2.69Å; V124-L222 HydrophobicContact CG1-CB 4.42Å; V124-L222 HydrophobicContact CG1-CD2 4.04Å; V124-F225 HydrophobicContact CG2-CB 3.92Å; V124-F267 HydrophobicContact CG1-CE1 3.98Å; V124-F267 HydrophobicContact CG1-CZ 3.98Å
125	L	98.9	Very high	98.6	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-73.7	-39.8	179.2	-64.7	173.2	0	0	0	113	L121 K122 T123 L127 A128 D129 F267 F292 L295 F296 F301	L121-L125 HydrophobicContact CD1-CD1 3.95Å; L121-L125 HydrophobicContact CD1-CD2 4.38Å; L121-L125 HydrophobicContact CD1-CG 3.98Å; L121-L125 HydrophobicContact CD2-CD1 4.44Å; L121-L125 HydrophobicContact CG-CD1 3.79Å; L121-L125 HydrophobicContact CG-CG 4.25Å; L121-L125 WeakPolarHBondContact O-CB 3.18Å; L121-L125 WeakPolarHBondContact O-CG 3.31Å; L121-L125 PolarHBondContact O-N 3.39Å; K122-L125 PolarHBondContact O-N 2.7Å; T123-L125 VanDerWaalsContact C-N 3.34Å; T123-L125 PolarHBondContact O-N 2.75Å; L125-L127 VanDerWaalsContact C-N 3.26Å; L125-L127 PolarHBondContact O-N 2.69Å; L125-A128 PolarHBondContact O-N 2.86Å; L125-D129 PolarHBondContact O-N 2.79Å; L125-F267 HydrophobicContact CD2-CZ 4.13Å; L125-F292 HydrophobicContact CD2-CB 3.72Å; L125-F292 HydrophobicContact CD2-CD1 3.42Å; L125-F292 VanDerWaalsContact CD2-CD1 3.42Å; L125-F292 HydrophobicContact CD2-CE1 4.34Å; L125-F292 HydrophobicContact CD2-CG 3.86Å; L125-L295 HydrophobicContact CD1-CD2 3.95Å; L125-L295 HydrophobicContact CD1-CG 3.94Å; L125-L295 HydrophobicContact CD2-CD2 3.86Å; L125-F296 HydrophobicContact CB-CD2 3.78Å; L125-F296 HydrophobicContact CD1-CB 4.18Å; L125-F296 HydrophobicContact CD1-CD2 4.08Å; L125-F301 HydrophobicContact CD1-CD2 4.48Å; L125-F301 HydrophobicContact CD1-CE2 4.32Å
126	L	98.8	Very high	98.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-60.5	-36.6	172.2	-73.4	175.2	0	0	0	112	K122 T123 F296 Y303 F307	K122-L126 HydrophobicContact CG-CD1 4.22Å; K122-L126 WeakPolarHBondContact O-CG 3.31Å; K122-L126 PolarHBondContact O-N 2.95Å; T123-L126 PolarHBondContact O-N 3.22Å; L126-F296 HydrophobicContact CD2-CE2 3.87Å; L126-F296 HydrophobicContact CD2-CZ 3.76Å; L126-F296 HydrophobicContact CG-CE2 3.82Å; L126-F296 HydrophobicContact CG-CZ 4.13Å; L126-Y303 HydrophobicContact CD2-CD2 3.63Å; L126-Y303 HydrophobicContact CD2-CE2 3.47Å; L126-Y303 VanDerWaalsContact CD2-CE2 3.47Å; L126-Y303 HydrophobicContact CD2-CG 4.32Å; L126-F307 HydrophobicContact CB-CD1 4.07Å; L126-F307 HydrophobicContact CB-CE1 3.51Å; L126-F307 HydrophobicContact CB-CZ 4.24Å; L126-F307 HydrophobicContact CD1-CD1 4.07Å; L126-F307 HydrophobicContact CD1-CE1 4.08Å; L126-F307 HydrophobicContact CG-CE1 4.44Å
127	L	98.9	Very high	98.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-70.6	-47.4	174.6	-73.4	173	0	0	0	111.6	L108 F119 T123 V124 L125 D129 Q130 M131 V164 F307 W309	L108-L127 HydrophobicContact CD1-CD1 4.24Å; L108-L127 HydrophobicContact CD1-CD2 3.93Å; L108-L127 HydrophobicContact CD2-CD1 4.17Å; L108-L127 HydrophobicContact CD2-CD2 3.6Å; L108-L127 HydrophobicContact CG-CD2 4.44Å; F119-L127 HydrophobicContact CD2-CD1 4.18Å; F119-L127 HydrophobicContact CE2-CD1 3.92Å; T123-L127 HydrophobicContact CG2-CD1 4Å; T123-L127 WeakPolarHBondContact O-CB 3.28Å; T123-L127 VanDerWaalsContact O-CG 3.27Å; T123-L127 WeakPolarHBondContact O-CG 3.43Å; T123-L127 PolarHBondContact O-N 3.41Å; V124-L127 PolarHBondContact O-N 3.09Å; L125-L127 VanDerWaalsContact C-N 3.26Å; L125-L127 PolarHBondContact O-N 2.69Å; L127-D129 VanDerWaalsContact C-N 3.31Å; L127-D129 PolarHBondContact O-N 2.88Å; L127-Q130 PolarHBondContact O-N 2.89Å; L127-M131 HydrophobicContact CB-SD 3.98Å; L127-M131 WeakPolarHBondContact O-CB 3.24Å; L127-M131 WeakPolarHBondContact O-CG 3.2Å; L127-M131 PolarHBondContact O-N 3.28Å; L127-V164 HydrophobicContact CD2-CG2 3.64Å; L127-F307 HydrophobicContact CD2-CE1 4.06Å; L127-F307 HydrophobicContact CG-CD1 4.44Å; L127-F307 HydrophobicContact CG-CE1 4.13Å; L127-W309 HydrophobicContact CD1-CH2 4.25Å; L127-W309 HydrophobicContact CD1-CZ3 4.43Å; L127-W309 HydrophobicContact CD2-CH2 4.16Å; L127-W309 HydrophobicContact CG-CH2 4.46Å
128	A	98.9	Very high	98.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-53.1	-45.7	-178.8	0	0	0	0	0	112.8	V124 L125 Q130 M131 I132 L222 F292	V124-A128 WeakPolarHBondContact O-CB 3.44Å; V124-A128 PolarHBondContact O-N 2.69Å; L125-A128 PolarHBondContact O-N 2.86Å; A128-Q130 PolarHBondContact O-N 3.06Å; A128-M131 PolarHBondContact O-N 2.83Å; A128-I132 VanDerWaalsContact O-CG1 3.27Å; A128-I132 WeakPolarHBondContact O-CG1 3.36Å; A128-I132 PolarHBondContact O-N 3.11Å; A128-L222 HydrophobicContact CB-CD1 3.74Å; A128-L222 HydrophobicContact CB-CD2 3.8Å; A128-L222 HydrophobicContact CB-CG 4.45Å; A128-F292 HydrophobicContact CB-CD2 3.8Å; A128-F292 HydrophobicContact CB-CE2 4.14Å; A128-F292 HydrophobicContact CB-CG 4.24Å
129	D	98.8	Very high	98.8	Very high	13 Å²	13	15.5 Å²	15.5	7%	0.07	8%	0.079	C	C	.	.	H	α-helix	trans	-59.8	-45.2	-179.3	-165.7	71.9	0	0	0	112.8	L125 L127 S133 R289 R293	L125-D129 PolarHBondContact O-N 2.79Å; L127-D129 VanDerWaalsContact C-N 3.31Å; L127-D129 PolarHBondContact O-N 2.88Å; D129-S133 WeakPolarHBondContact O-CB 3.44Å; D129-S133 PolarHBondContact O-N 3.03Å; D129-S133 PolarHBondContact O-OG 3.35Å; D129-R289 WeakPolarHBondContact OD1-CB 3.22Å; D129-R289 VanDerWaalsContact OD1-CD 3.29Å; D129-R289 WeakPolarHBondContact OD1-CD 3.47Å; D129-R289 VanDerWaalsContact OD1-CG 3.31Å; D129-R289 WeakPolarHBondContact OD1-CG 3.36Å; D129-R293 VanDerWaalsContact CG-NH2 3.28Å; D129-R293 IonicContact OD1-CZ 2.75Å; D129-R293 IonicContact OD1-NE 2.96Å; D129-R293 PolarHBondContact OD1-NE 3.43Å; D129-R293 IonicContact OD1-NH2 2.69Å; D129-R293 PolarHBondContact OD1-NH2 2.77Å; D129-R293 IonicContact OD2-CZ 2.69Å; D129-R293 IonicContact OD2-NE 2.67Å; D129-R293 IonicContact OD2-NH2 2.86Å; D129-R293 PolarHBondContact OD2-NH2 3.29Å
130	Q	98.8	Very high	98.8	Very high	15 Å²	15	17.5 Å²	17.5	7%	0.07	10%	0.096	C	C	.	.	H	α-helix	trans	-71.4	-41.9	178	-64.2	-163.2	58.9	0	0	111.7	L127 A128 S133 R134 N162 V164	L127-Q130 PolarHBondContact O-N 2.89Å; A128-Q130 PolarHBondContact O-N 3.06Å; Q130-S133 CarbonylContact O-C 3.17Å; Q130-S133 WeakPolarHBondContact O-CA 3.38Å; Q130-S133 WeakPolarHBondContact O-CB 3.24Å; Q130-S133 PolarHBondContact O-N 2.93Å; Q130-S133 VanDerWaalsContact O-N 3.12Å; Q130-R134 WeakPolarHBondContact O-CG 3.36Å; Q130-R134 PolarHBondContact O-N 2.74Å; Q130-N162 PolarHBondContact NE2-O 3.05Å; Q130-V164 HydrophobicContact CB-CB 3.94Å; Q130-V164 HydrophobicContact CB-CG2 3.85Å; Q130-V164 HydrophobicContact CG-CG2 4.37Å
131	M	98.9	Very high	98.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.5	-44	-178.3	-67.5	169.3	90.2	0	0	112.1	L108 L127 A128 S133 R134 I135 F153 V164 L218 V221 L222 F225	L108-M131 HydrophobicContact CD1-CE 3.76Å; L108-M131 HydrophobicContact CD1-SD 3.84Å; L127-M131 HydrophobicContact CB-SD 3.98Å; L127-M131 WeakPolarHBondContact O-CB 3.24Å; L127-M131 WeakPolarHBondContact O-CG 3.2Å; L127-M131 PolarHBondContact O-N 3.28Å; A128-M131 PolarHBondContact O-N 2.83Å; M131-S133 PolarHBondContact O-N 2.88Å; M131-R134 PolarHBondContact O-N 3.24Å; M131-I135 WeakPolarHBondContact O-CG1 3.43Å; M131-I135 PolarHBondContact O-N 3.25Å; M131-I135 VanDerWaalsContact O-N 3.12Å; M131-F153 HydrophobicContact CB-CE1 4.05Å; M131-F153 HydrophobicContact CB-CZ 4.31Å; M131-F153 HydrophobicContact CE-CB 4.44Å; M131-F153 HydrophobicContact CE-CD1 4.15Å; M131-F153 HydrophobicContact CE-CD2 3.41Å; M131-F153 VanDerWaalsContact CE-CD2 3.41Å; M131-F153 HydrophobicContact CE-CE1 4.2Å; M131-F153 HydrophobicContact CE-CE2 3.48Å; M131-F153 VanDerWaalsContact CE-CE2 3.48Å; M131-F153 HydrophobicContact CE-CG 3.76Å; M131-F153 HydrophobicContact CE-CZ 3.89Å; M131-F153 HydrophobicContact CG-CD1 3.94Å; M131-F153 HydrophobicContact CG-CE1 3.88Å; M131-F153 HydrophobicContact CG-CG 4.42Å; M131-F153 HydrophobicContact CG-CZ 4.32Å; M131-V164 HydrophobicContact CG-CG1 4.34Å; M131-L218 HydrophobicContact CB-CD1 3.77Å; M131-L218 HydrophobicContact CB-CD2 3.87Å; M131-L218 HydrophobicContact CE-CD1 3.54Å; M131-L218 HydrophobicContact CG-CD1 4.39Å; M131-L218 HydrophobicContact SD-CD1 3.91Å; M131-V221 HydrophobicContact CE-CG1 3.84Å; M131-L222 HydrophobicContact SD-CD2 4.44Å; M131-F225 HydrophobicContact CE-CE2 4.33Å
132	I	98.9	Very high	98.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.5	-43	171.8	-64.9	164.8	0	0	0	109.8	A128 R134 I135 E136 L218 Y270 Y285 L288 R289 F292	A128-I132 VanDerWaalsContact O-CG1 3.27Å; A128-I132 WeakPolarHBondContact O-CG1 3.36Å; A128-I132 PolarHBondContact O-N 3.11Å; I132-R134 PolarHBondContact O-N 2.96Å; I132-I135 PolarHBondContact O-N 2.69Å; I132-E136 WeakPolarHBondContact O-CB 3.46Å; I132-E136 PolarHBondContact O-N 2.71Å; I132-L218 HydrophobicContact CB-CD2 4.48Å; I132-L218 HydrophobicContact CG1-CD2 3.66Å; I132-Y270 HydrophobicContact CD1-CE2 3.9Å; I132-Y270 HydrophobicContact CG1-CE2 4.23Å; I132-Y285 HydrophobicContact CG2-CD1 4.36Å; I132-L288 HydrophobicContact CD1-CB 4.27Å; I132-R289 HydrophobicContact CB-CG 4.03Å; I132-R289 HydrophobicContact CD1-CG 4.01Å; I132-R289 HydrophobicContact CG2-CG 3.91Å; I132-F292 HydrophobicContact CD1-CD2 3.98Å; I132-F292 HydrophobicContact CD1-CE2 4.12Å
133	S	98.9	Very high	98.7	Very high	29 Å²	29	16.4 Å²	16.4	20%	0.203	9%	0.085	C	C	.	.	H	α-helix	trans	-67.8	-29.5	-179.7	-55.1	0	0	0	0	113.9	D129 Q130 M131 Y137 R289	D129-S133 WeakPolarHBondContact O-CB 3.44Å; D129-S133 PolarHBondContact O-N 3.03Å; D129-S133 PolarHBondContact O-OG 3.35Å; Q130-S133 CarbonylContact O-C 3.17Å; Q130-S133 WeakPolarHBondContact O-CA 3.38Å; Q130-S133 WeakPolarHBondContact O-CB 3.24Å; Q130-S133 PolarHBondContact O-N 2.93Å; Q130-S133 VanDerWaalsContact O-N 3.12Å; M131-S133 PolarHBondContact O-N 2.88Å; S133-Y137 PolarHBondContact O-N 3.36Å; S133-Y137 VanDerWaalsContact O-N 3.15Å; S133-R289 WeakPolarHBondContact OG-CD 3.13Å; S133-R289 PolarHBondContact OG-NH1 3.49Å
134	R	98.9	Very high	98.7	Very high	13 Å²	13	16.4 Å²	16.4	5%	0.049	9%	0.085	C	C	.	.	H	α-helix	trans	-70.5	-44.1	171.3	-61	-52	166.8	-95.1	-9.3	111.8	V82 Q130 M131 I132 Y137 I138 F153 L163 V164 I166	V82-R134 WeakPolarHBondContact O-CD 3.48Å; V82-R134 PolarHBondContact O-NE 2.83Å; V82-R134 VanDerWaalsContact O-NE 3.14Å; Q130-R134 WeakPolarHBondContact O-CG 3.36Å; Q130-R134 PolarHBondContact O-N 2.74Å; M131-R134 PolarHBondContact O-N 3.24Å; I132-R134 PolarHBondContact O-N 2.96Å; R134-Y137 PolarHBondContact O-N 3.12Å; R134-I138 WeakPolarHBondContact O-CG1 3.21Å; R134-I138 PolarHBondContact O-N 3.27Å; R134-I138 VanDerWaalsContact O-N 3.09Å; R134-F153 HydrophobicContact CB-CE1 4.37Å; R134-L163 VanDerWaalsContact NH2-CD1 3.32Å; R134-V164 PolarHBondContact NE-O 3.23Å; R134-V164 PolarHBondContact NH2-O 3.33Å; R134-I166 HydrophobicContact CB-CB 4.18Å; R134-I166 HydrophobicContact CB-CG2 3.89Å; R134-I166 HydrophobicContact CG-CB 4.41Å; R134-I166 HydrophobicContact CG-CG2 4.3Å
135	I	98.9	Very high	98.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.8	-44.8	177.8	-67	177.7	0	0	0	110.2	M131 I132 Y137 I138 H139 V148 D214 L215 L218	M131-I135 WeakPolarHBondContact O-CG1 3.43Å; M131-I135 PolarHBondContact O-N 3.25Å; M131-I135 VanDerWaalsContact O-N 3.12Å; I132-I135 PolarHBondContact O-N 2.69Å; I135-Y137 VanDerWaalsContact C-N 3.33Å; I135-Y137 PolarHBondContact O-N 2.91Å; I135-I138 PolarHBondContact O-N 2.99Å; I135-H139 WeakPolarHBondContact CG2-CE1 3.24Å; I135-H139 WeakPolarHBondContact CG2-NE2 3.49Å; I135-H139 WeakPolarHBondContact O-CB 3.34Å; I135-H139 PolarHBondContact O-CD2 2.91Å; I135-H139 PolarHBondContact O-N 3.33Å; I135-V148 HydrophobicContact CD1-CG1 4.06Å; I135-V148 HydrophobicContact CD1-CG2 4.04Å; I135-D214 HydrophobicContact CG2-CB 3.98Å; I135-L215 HydrophobicContact CB-CD2 4.35Å; I135-L215 HydrophobicContact CD1-CD2 4.44Å; I135-L215 HydrophobicContact CG2-CD2 3.74Å; I135-L215 HydrophobicContact CG2-CG 4.25Å; I135-L218 HydrophobicContact CD1-CB 3.93Å; I135-L218 HydrophobicContact CD1-CD2 3.87Å; I135-L218 HydrophobicContact CD1-CG 4.43Å
136	E	98.9	Very high	98.7	Very high	58 Å²	58	18.2 Å²	18.2	27%	0.271	9%	0.091	S	C	.	.	H	α-helix	trans	-56.8	-43.5	172.9	-179.1	172.4	-146.7	0	0	112.4	I132 I138 H139 S140 Y285 R289	I132-E136 WeakPolarHBondContact O-CB 3.46Å; I132-E136 PolarHBondContact O-N 2.71Å; E136-I138 PolarHBondContact O-N 3.24Å; E136-H139 CarbonylContact O-C 3.55Å; E136-H139 PolarHBondContact O-N 3.18Å; E136-S140 WeakPolarHBondContact O-CB 3.23Å; E136-S140 PolarHBondContact O-N 3.29Å; E136-Y285 HydrophobicContact CB-CD1 3.7Å; E136-Y285 HydrophobicContact CB-CD2 4.08Å; E136-Y285 HydrophobicContact CB-CE1 4.08Å; E136-Y285 HydrophobicContact CB-CE2 4.44Å; E136-Y285 HydrophobicContact CB-CG 3.7Å; E136-Y285 VanDerWaalsContact CD-CB 3.48Å; E136-Y285 VanDerWaalsContact CD-CD2 3.5Å; E136-Y285 HydrophobicContact CG-CD1 4.15Å; E136-Y285 HydrophobicContact CG-CD2 3.56Å; E136-Y285 HydrophobicContact CG-CE1 4.47Å; E136-Y285 HydrophobicContact CG-CE2 3.94Å; E136-Y285 HydrophobicContact CG-CG 3.68Å; E136-Y285 WeakPolarHBondContact OE1-CD2 3.41Å; E136-R289 IonicContact OE1-NH2 2.7Å; E136-R289 IonicContact OE2-CZ 2.74Å; E136-R289 IonicContact OE2-NH1 2.76Å; E136-R289 PolarHBondContact OE2-NH1 3.29Å; E136-R289 IonicContact OE2-NH2 2.68Å; E136-R289 PolarHBondContact OE2-NH2 3.03Å
137	Y	98.8	Very high	98.6	Very high	51 Å²	51	18.5 Å²	18.5	20%	0.2	9%	0.093	C	C	.	.	H	α-helix	trans	-61.3	-45.2	177.9	-176.2	-92.5	0	0	0	112	M78 Q79 G81 I84 S133 R134 I135 H139 S140 K141	M78-Y137 HydrophobicContact CB-CE1 4.16Å; M78-Y137 PolarHBondContact O-OH 3.35Å; Q79-Y137 PolarHBondContact O-OH 3.5Å; G81-Y137 VanDerWaalsContact CA-OH 3.23Å; G81-Y137 WeakPolarHBondContact CA-OH 3.08Å; G81-Y137 PolarHBondContact N-OH 2.69Å; I84-Y137 HydrophobicContact CD1-CD1 4.08Å; I84-Y137 HydrophobicContact CD1-CE1 4.34Å; I84-Y137 HydrophobicContact CG1-CD1 3.99Å; I84-Y137 HydrophobicContact CG1-CE1 3.85Å; S133-Y137 PolarHBondContact O-N 3.36Å; S133-Y137 VanDerWaalsContact O-N 3.15Å; R134-Y137 PolarHBondContact O-N 3.12Å; I135-Y137 VanDerWaalsContact C-N 3.33Å; I135-Y137 PolarHBondContact O-N 2.91Å; Y137-H139 VanDerWaalsContact C-N 3.33Å; Y137-H139 PolarHBondContact O-N 2.8Å; Y137-S140 WeakPolarHBondContact O-CB 3.47Å; Y137-S140 PolarHBondContact O-N 3.12Å; Y137-S140 PolarHBondContact O-OG 2.92Å; Y137-K141 HydrophobicContact CD1-CG 4.41Å; Y137-K141 HydrophobicContact CE1-CG 3.95Å; Y137-K141 VanDerWaalsContact CZ-CE 3.42Å; Y137-K141 WeakPolarHBondContact O-CG 3.48Å; Y137-K141 PolarHBondContact O-N 2.78Å; Y137-K141 VanDerWaalsContact O-N 3.16Å; Y137-K141 WeakPolarHBondContact OH-CE 3.49Å; Y137-K141 PolarHBondContact OH-NZ 3.42Å
138	I	98.7	Very high	98.6	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-60.4	-44.6	175.5	-67.6	159.6	0	0	0	110.8	M78 R134 I135 E136 S140 K141 N142 F143 I166 F169	M78-I138 HydrophobicContact CE-CG1 4.39Å; M78-I138 HydrophobicContact CE-CG2 4.02Å; M78-I138 HydrophobicContact SD-CG1 4.07Å; R134-I138 WeakPolarHBondContact O-CG1 3.21Å; R134-I138 PolarHBondContact O-N 3.27Å; R134-I138 VanDerWaalsContact O-N 3.09Å; I135-I138 PolarHBondContact O-N 2.99Å; E136-I138 PolarHBondContact O-N 3.24Å; I138-S140 VanDerWaalsContact C-N 3.32Å; I138-S140 PolarHBondContact O-N 3.44Å; I138-K141 PolarHBondContact O-N 2.91Å; I138-K141 VanDerWaalsContact O-N 3.12Å; I138-N142 PolarHBondContact O-N 2.81Å; I138-F143 CarbonylContact C-O 3.44Å; I138-F143 HydrophobicContact CG2-CB 3.95Å; I138-F143 PolarHBondContact O-N 3.08Å; I138-I166 HydrophobicContact CD1-CD1 3.73Å; I138-I166 HydrophobicContact CD1-CG2 3.78Å; I138-F169 HydrophobicContact CD1-CE1 3.68Å; I138-F169 HydrophobicContact CD1-CZ 4.23Å; I138-F169 HydrophobicContact CG1-CE1 3.9Å; I138-F169 HydrophobicContact CG1-CZ 4.36Å
139	H	98.8	Very high	98.6	Very high	2 Å²	2	20 Å²	20	1%	0.009	10%	0.1	C	C	.	.	H	α-helix	trans	-63.8	-34.9	176.7	-65.3	177.5	0	0	0	112.5	I135 E136 Y137 K141 N142 F143 Y175 R211 D214 Y285	I135-H139 WeakPolarHBondContact CG2-CE1 3.24Å; I135-H139 WeakPolarHBondContact CG2-NE2 3.49Å; I135-H139 WeakPolarHBondContact O-CB 3.34Å; I135-H139 PolarHBondContact O-CD2 2.91Å; I135-H139 PolarHBondContact O-N 3.33Å; E136-H139 CarbonylContact O-C 3.55Å; E136-H139 PolarHBondContact O-N 3.18Å; Y137-H139 VanDerWaalsContact C-N 3.33Å; Y137-H139 PolarHBondContact O-N 2.8Å; H139-K141 VanDerWaalsContact C-N 3.28Å; H139-K141 PolarHBondContact O-N 3.39Å; H139-N142 PolarHBondContact O-N 3.26Å; H139-F143 WeakPolarHBondContact CA-O 3.15Å; H139-F143 PolarHBondContact CD2-O 2.75Å; H139-F143 VanDerWaalsContact CD2-O 3.31Å; H139-Y175 HydrophobicContact CB-CE1 4.45Å; H139-Y175 VanDerWaalsContact O-CE1 3.27Å; H139-Y175 WeakPolarHBondContact O-CE1 3.46Å; H139-Y175 PolarHBondContact O-OH 3.28Å; H139-R211 HydrophobicContact CB-CG 4.24Å; H139-R211 PolarHBondContact CE1-O 2.86Å; H139-R211 VanDerWaalsContact CE1-O 3.26Å; H139-D214 IonicContact CD2-OD2 3.22Å; H139-D214 IonicContact NE2-OD2 3.8Å; H139-D214 PolarHBondContact NE2-OD2 3.38Å; H139-D214 VanDerWaalsContact NE2-OD2 3.08Å; H139-Y285 WeakPolarHBondContact CB-OH 3.29Å; H139-Y285 AromaticContact ND1-CE1 3.46Å; H139-Y285 WeakPolarHBondContact ND1-CE1 3.42Å; H139-Y285 AromaticContact ND1-CZ 3.52Å; H139-Y285 PolarHBondContact ND1-OH 2.89Å
140	S	98.4	Very high	98.6	Very high	64 Å²	64	19.4 Å²	19.4	45%	0.448	10%	0.096	S	C	.	.	H	α-helix	trans	-63.8	-35	174.1	84.3	0	0	0	0	112	E136 Y137 I138 N142 R176	E136-S140 WeakPolarHBondContact O-CB 3.23Å; E136-S140 PolarHBondContact O-N 3.29Å; Y137-S140 WeakPolarHBondContact O-CB 3.47Å; Y137-S140 PolarHBondContact O-N 3.12Å; Y137-S140 PolarHBondContact O-OG 2.92Å; I138-S140 VanDerWaalsContact C-N 3.32Å; I138-S140 PolarHBondContact O-N 3.44Å; S140-N142 PolarHBondContact O-N 3.21Å; S140-R176 PolarHBondContact O-NH2 2.92Å
141	K	98.2	Very high	98.5	Very high	66 Å²	66	22 Å²	22	29%	0.287	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	9.2	177	-65.6	-68.3	-171	153.2	0	114	M77 M78 Y137 I138 H139 F143	M77-K141 PolarHBondContact O-NZ 3.18Å; M78-K141 HydrophobicContact CG-CB 4.38Å; M78-K141 HydrophobicContact CG-CG 4.3Å; Y137-K141 HydrophobicContact CD1-CG 4.41Å; Y137-K141 HydrophobicContact CE1-CG 3.95Å; Y137-K141 VanDerWaalsContact CZ-CE 3.42Å; Y137-K141 WeakPolarHBondContact O-CG 3.48Å; Y137-K141 PolarHBondContact O-N 2.78Å; Y137-K141 VanDerWaalsContact O-N 3.16Å; Y137-K141 WeakPolarHBondContact OH-CE 3.49Å; Y137-K141 PolarHBondContact OH-NZ 3.42Å; I138-K141 PolarHBondContact O-N 2.91Å; I138-K141 VanDerWaalsContact O-N 3.12Å; H139-K141 VanDerWaalsContact C-N 3.28Å; H139-K141 PolarHBondContact O-N 3.39Å; K141-F143 VanDerWaalsContact C-N 3.34Å; K141-F143 HydrophobicContact CB-CD2 4.17Å; K141-F143 WeakPolarHBondContact O-CD2 3.44Å; K141-F143 VanDerWaalsContact O-CE2 3.25Å; K141-F143 WeakPolarHBondContact O-CE2 3.39Å
142	N	98.3	Very high	98.5	Very high	19 Å²	19	22.3 Å²	22.3	10%	0.102	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	14.3	177.4	-41.7	-57.3	0	0	0	115.2	I138 H139 S140 K174 Y175 R176	I138-N142 PolarHBondContact O-N 2.81Å; H139-N142 PolarHBondContact O-N 3.26Å; S140-N142 PolarHBondContact O-N 3.21Å; N142-K174 CarbonylContact O-C 3.55Å; N142-K174 WeakPolarHBondContact O-CA 3.4Å; N142-Y175 VanDerWaalsContact O-CD1 3.22Å; N142-Y175 WeakPolarHBondContact O-CD1 3.44Å; N142-Y175 PolarHBondContact O-N 3.01Å; N142-R176 HydrophobicContact CB-CG 3.96Å; N142-R176 VanDerWaalsContact OD1-CZ 3.22Å; N142-R176 PolarHBondContact OD1-NE 3.31Å; N142-R176 PolarHBondContact OD1-NH2 3.4Å
143	F	98.3	Very high	98.5	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.035	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	159.5	177.9	-63	-80.9	0	0	0	112.3	F74 M77 M78 I138 H139 K141 K173 K174 Y175	F74-F143 HydrophobicContact CD1-CD1 4.13Å; F74-F143 AromaticContact CD1-CE1 3.53Å; F74-F143 HydrophobicContact CD1-CE1 3.53Å; F74-F143 AromaticContact CD1-CZ 3.78Å; F74-F143 HydrophobicContact CD1-CZ 3.78Å; F74-F143 HydrophobicContact CE1-CD1 4.05Å; F74-F143 AromaticContact CE1-CE1 3.36Å; F74-F143 HydrophobicContact CE1-CE1 3.36Å; F74-F143 AromaticContact CE1-CZ 3.97Å; F74-F143 HydrophobicContact CE1-CZ 3.97Å; F74-F143 HydrophobicContact CZ-CE1 4.22Å; M77-F143 HydrophobicContact CB-CE2 4.44Å; M77-F143 HydrophobicContact CE-CE2 3.82Å; M77-F143 HydrophobicContact CE-CZ 3.81Å; M77-F143 HydrophobicContact SD-CE2 4.02Å; M77-F143 HydrophobicContact SD-CZ 3.76Å; M78-F143 HydrophobicContact CE-CB 3.77Å; M78-F143 HydrophobicContact CE-CD2 3.65Å; M78-F143 HydrophobicContact CE-CG 3.85Å; I138-F143 CarbonylContact C-O 3.44Å; I138-F143 HydrophobicContact CG2-CB 3.95Å; I138-F143 PolarHBondContact O-N 3.08Å; H139-F143 WeakPolarHBondContact CA-O 3.15Å; H139-F143 PolarHBondContact CD2-O 2.75Å; H139-F143 VanDerWaalsContact CD2-O 3.31Å; K141-F143 VanDerWaalsContact C-N 3.34Å; K141-F143 HydrophobicContact CB-CD2 4.17Å; K141-F143 WeakPolarHBondContact O-CD2 3.44Å; K141-F143 VanDerWaalsContact O-CE2 3.25Å; K141-F143 WeakPolarHBondContact O-CE2 3.39Å; F143-K173 CarbonylContact C-O 3.59Å; F143-K173 VanDerWaalsContact CA-O 3.24Å; F143-K173 WeakPolarHBondContact CA-O 3.46Å; F143-K174 HydrophobicContact CD1-CB 4.13Å; F143-K174 HydrophobicContact CE1-CB 3.9Å; F143-Y175 VanDerWaalsContact C-CD1 3.48Å; F143-Y175 WeakPolarHBondContact O-CD1 3.47Å; F143-Y175 WeakPolarHBondContact O-CE1 3.31Å
144	I	98.7	Very high	98.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.1	163.4	50.5	173.3	0	0	0	108.2	R146 A172 K173 Y175 Q209 R211 D214	I144-R146 HydrophobicContact CB-CG 4.35Å; I144-R146 HydrophobicContact CD1-CG 3.82Å; I144-R146 HydrophobicContact CG1-CG 3.82Å; I144-A172 CarbonylContact O-C 3.5Å; I144-A172 WeakPolarHBondContact O-CA 3.41Å; I144-A172 WeakPolarHBondContact O-CB 3.45Å; I144-K173 HydrophobicContact CG1-CB 4.21Å; I144-K173 WeakPolarHBondContact CG1-O 3.45Å; I144-K173 PolarHBondContact N-O 2.82Å; I144-K173 PolarHBondContact O-N 3.33Å; I144-Y175 HydrophobicContact CG2-CD1 3.83Å; I144-Y175 HydrophobicContact CG2-CG 4.04Å; I144-Q209 HydrophobicContact CD1-CB 4Å; I144-Q209 WeakPolarHBondContact CD1-O 3.38Å; I144-R211 HydrophobicContact CG2-CG 4.2Å; I144-D214 WeakPolarHBondContact CA-OD2 3.21Å; I144-D214 WeakPolarHBondContact CB-OD2 3.5Å
145	H	98.5	Very high	98.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.			trans	-83.4	-44.4	-171.5	-168.6	-86.4	0	0	0	112.7	D147 V148 N152 I167 D168 F169 L171 D214	H145-D147 PolarHBondContact CE1-O 2.74Å; H145-D147 PolarHBondContact ND1-N 3.41Å; H145-D147 PolarHBondContact ND1-O 3.21Å; H145-D147 PolarHBondContact O-N 3.21Å; H145-V148 HydrophobicContact CB-CG2 4.22Å; H145-N152 PolarHBondContact CE1-ND2 2.88Å; H145-I167 PolarHBondContact CE1-O 2.86Å; H145-I167 VanDerWaalsContact CE1-O 3.28Å; H145-I167 PolarHBondContact NE2-O 2.69Å; H145-D168 PolarHBondContact NE2-O 3.07Å; H145-F169 AromaticContact CD2-CD1 3.82Å; H145-F169 AromaticContact CD2-CE1 3.72Å; H145-L171 CarbonylContact O-C 3.59Å; H145-D214 PolarHBondContact N-OD2 2.79Å
146	R	98.2	Very high	98.4	Very high	43 Å²	43	22.1 Å²	22.1	16%	0.162	11%	0.111	C	C	.	.	S	Bend	trans	68.7	-0	174.9	-52.3	-159.3	-63.2	150.9	4.9	116.8	I144 L171 Q209 D214	I144-R146 HydrophobicContact CB-CG 4.35Å; I144-R146 HydrophobicContact CD1-CG 3.82Å; I144-R146 HydrophobicContact CG1-CG 3.82Å; R146-L171 PolarHBondContact NE-O 2.79Å; R146-L171 PolarHBondContact NH2-O 3.46Å; R146-Q209 VanDerWaalsContact CD-OE1 3.22Å; R146-Q209 HydrophobicContact CG-CB 4.41Å; R146-D214 PolarHBondContact N-OD1 3.26Å
147	D	97.6	Very high	98.2	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.037	12%	0.119	C	C	.	.			trans	-144	56	172.1	-167.4	42.2	0	0	0	111.9	H145 K149 N152 L171 G194 T195	H145-D147 PolarHBondContact CE1-O 2.74Å; H145-D147 PolarHBondContact ND1-N 3.41Å; H145-D147 PolarHBondContact ND1-O 3.21Å; H145-D147 PolarHBondContact O-N 3.21Å; D147-K149 PolarHBondContact O-N 1.97Å; D147-K149 VanDerWaalsContact O-N 3.17Å; D147-K149 WeakPolarHBondContact OD2-CD 3.45Å; D147-K149 WeakPolarHBondContact OD2-CE 3.15Å; D147-K149 IonicContact OD2-NZ 2.83Å; D147-K149 PolarHBondContact OD2-NZ 3.28Å; D147-N152 PolarHBondContact O-ND2 3.44Å; D147-N152 PolarHBondContact OD2-ND2 3.23Å; D147-N152 VanDerWaalsContact OD2-ND2 3.11Å; D147-L171 HydrophobicContact CB-CB 4.4Å; D147-L171 HydrophobicContact CB-CD1 3.77Å; D147-G194 WeakPolarHBondContact OD1-CA 3.18Å; D147-T195 VanDerWaalsContact OD1-CB 3.25Å; D147-T195 WeakPolarHBondContact OD1-CB 3.5Å; D147-T195 PolarHBondContact OD1-N 2.66Å; D147-T195 PolarHBondContact OD1-OG1 2.82Å
148	V	98.8	Very high	98.1	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.018	15%	0.145	C	C	.	.			trans	-69.9	107.2	175.3	177.4	0	0	0	0	109.5	I135 H145 F153 Y198 D214 L218	I135-V148 HydrophobicContact CD1-CG1 4.06Å; I135-V148 HydrophobicContact CD1-CG2 4.04Å; H145-V148 HydrophobicContact CB-CG2 4.22Å; V148-F153 HydrophobicContact CG1-CE2 3.92Å; V148-F153 HydrophobicContact CG1-CZ 4.22Å; V148-Y198 WeakPolarHBondContact O-CB 3.43Å; V148-D214 HydrophobicContact CG2-CB 3.95Å; V148-L218 HydrophobicContact CG1-CB 4.06Å
149	K	98.5	Very high	97.8	Very high	29 Å²	29	34.6 Å²	34.6	13%	0.126	19%	0.189	C	C	.	.			trans	-150.2	155.9	-178.1	70.4	-172.7	-168.8	-138.7	0	111.3	D147 D151 N152 F153 T195 Y198	D147-K149 PolarHBondContact O-N 1.97Å; D147-K149 VanDerWaalsContact O-N 3.17Å; D147-K149 WeakPolarHBondContact OD2-CD 3.45Å; D147-K149 WeakPolarHBondContact OD2-CE 3.15Å; D147-K149 IonicContact OD2-NZ 2.83Å; D147-K149 PolarHBondContact OD2-NZ 3.28Å; K149-D151 HydrophobicContact CD-CB 4.25Å; K149-D151 WeakPolarHBondContact CD-OD2 3.25Å; K149-D151 HydrophobicContact CG-CB 4.12Å; K149-D151 WeakPolarHBondContact CG-OD2 3.27Å; K149-D151 PolarHBondContact O-N 2.79Å; K149-D151 VanDerWaalsContact O-N 3.17Å; K149-N152 VanDerWaalsContact CE-CG 3.46Å; K149-N152 WeakPolarHBondContact CE-ND2 3.43Å; K149-N152 VanDerWaalsContact CE-OD1 3.22Å; K149-N152 WeakPolarHBondContact CE-OD1 3.34Å; K149-N152 HydrophobicContact CG-CB 3.98Å; K149-N152 PolarHBondContact NZ-OD1 2.69Å; K149-N152 PolarHBondContact O-N 3.11Å; K149-F153 VanDerWaalsContact O-CD2 3.29Å; K149-F153 WeakPolarHBondContact O-CD2 3.49Å; K149-T195 WeakPolarHBondContact CD-OG1 3.27Å; K149-Y198 HydrophobicContact CB-CD2 3.46Å; K149-Y198 VanDerWaalsContact CB-CD2 3.46Å; K149-Y198 HydrophobicContact CB-CE2 3.59Å; K149-Y198 HydrophobicContact CB-CG 4.49Å
150	P	98.7	Very high	97.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-54.9	-35.2	-178.3	-25.9	35.9	0	0	0	114.1	L108 E109 N152 F153 Y198 V221 Y224 F225	L108-P150 HydrophobicContact CB-CB 4.28Å; L108-P150 PolarHBondContact N-O 2.64Å; E109-P150 HydrophobicContact CB-CB 4.03Å; P150-N152 PolarHBondContact O-N 3.42Å; P150-F153 PolarHBondContact O-N 3.17Å; P150-F153 VanDerWaalsContact O-O 3.11Å; P150-Y198 VanDerWaalsContact CD-CE2 3.41Å; P150-Y198 WeakPolarHBondContact CD-OH 3.34Å; P150-Y198 HydrophobicContact CG-CE1 4.48Å; P150-Y198 HydrophobicContact CG-CE2 4.42Å; P150-Y198 WeakPolarHBondContact CG-OH 3.29Å; P150-V221 HydrophobicContact CG-CG1 4.02Å; P150-V221 HydrophobicContact CG-CG2 4.49Å; P150-Y224 HydrophobicContact CG-CD1 3.94Å; P150-Y224 HydrophobicContact CG-CE1 3.79Å; P150-F225 HydrophobicContact CB-CE1 3.91Å; P150-F225 HydrophobicContact CB-CZ 3.77Å; P150-F225 HydrophobicContact CG-CE1 3.98Å; P150-F225 HydrophobicContact CG-CZ 3.91Å
151	D	97.6	Very high	97.6	Very high	68 Å²	68	37 Å²	37	36%	0.364	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-65	-27.6	-179.5	-30.3	-118.1	0	0	0	112.3	K149 L154	K149-D151 HydrophobicContact CD-CB 4.25Å; K149-D151 WeakPolarHBondContact CD-OD2 3.25Å; K149-D151 HydrophobicContact CG-CB 4.12Å; K149-D151 WeakPolarHBondContact CG-OD2 3.27Å; K149-D151 PolarHBondContact O-N 2.79Å; K149-D151 VanDerWaalsContact O-N 3.17Å; D151-L154 VanDerWaalsContact O-CD1 3.31Å; D151-L154 WeakPolarHBondContact O-CD1 3.47Å
152	N	98.3	Very high	97.6	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-90.8	3.3	-179.9	-73.6	-10.9	0	0	0	113.2	H145 D147 K149 P150 I166 I167	H145-N152 PolarHBondContact CE1-ND2 2.88Å; D147-N152 PolarHBondContact O-ND2 3.44Å; D147-N152 PolarHBondContact OD2-ND2 3.23Å; D147-N152 VanDerWaalsContact OD2-ND2 3.11Å; K149-N152 VanDerWaalsContact CE-CG 3.46Å; K149-N152 WeakPolarHBondContact CE-ND2 3.43Å; K149-N152 VanDerWaalsContact CE-OD1 3.22Å; K149-N152 WeakPolarHBondContact CE-OD1 3.34Å; K149-N152 HydrophobicContact CG-CB 3.98Å; K149-N152 PolarHBondContact NZ-OD1 2.69Å; K149-N152 PolarHBondContact O-N 3.11Å; P150-N152 PolarHBondContact O-N 3.42Å; N152-I166 WeakPolarHBondContact O-CA 3.31Å; N152-I167 HydrophobicContact CB-CG1 4.4Å; N152-I167 PolarHBondContact O-N 3.01Å
153	F	98.8	Very high	97.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.2	170.2	-67.1	-88.8	0	0	0	109.9	S107 L108 M131 R134 V148 K149 P150 V164 Y165 I166	S107-F153 CarbonylContact C-O 3.5Å; S107-F153 VanDerWaalsContact CA-O 3.25Å; S107-F153 WeakPolarHBondContact CA-O 3.39Å; L108-F153 HydrophobicContact CD1-CB 3.59Å; L108-F153 HydrophobicContact CD1-CG 4.31Å; L108-F153 HydrophobicContact CG-CB 3.81Å; L108-F153 PolarHBondContact N-O 2.78Å; M131-F153 HydrophobicContact CB-CE1 4.05Å; M131-F153 HydrophobicContact CB-CZ 4.31Å; M131-F153 HydrophobicContact CE-CB 4.44Å; M131-F153 HydrophobicContact CE-CD1 4.15Å; M131-F153 HydrophobicContact CE-CD2 3.41Å; M131-F153 VanDerWaalsContact CE-CD2 3.41Å; M131-F153 HydrophobicContact CE-CE1 4.2Å; M131-F153 HydrophobicContact CE-CE2 3.48Å; M131-F153 VanDerWaalsContact CE-CE2 3.48Å; M131-F153 HydrophobicContact CE-CG 3.76Å; M131-F153 HydrophobicContact CE-CZ 3.89Å; M131-F153 HydrophobicContact CG-CD1 3.94Å; M131-F153 HydrophobicContact CG-CE1 3.88Å; M131-F153 HydrophobicContact CG-CG 4.42Å; M131-F153 HydrophobicContact CG-CZ 4.32Å; R134-F153 HydrophobicContact CB-CE1 4.37Å; V148-F153 HydrophobicContact CG1-CE2 3.92Å; V148-F153 HydrophobicContact CG1-CZ 4.22Å; K149-F153 VanDerWaalsContact O-CD2 3.29Å; K149-F153 WeakPolarHBondContact O-CD2 3.49Å; P150-F153 PolarHBondContact O-N 3.17Å; P150-F153 VanDerWaalsContact O-O 3.11Å; F153-V164 HydrophobicContact CB-CG1 4.13Å; F153-V164 HydrophobicContact CD1-CG1 3.84Å; F153-V164 HydrophobicContact CG-CG1 4.42Å; F153-Y165 VanDerWaalsContact CA-O 3.26Å; F153-Y165 WeakPolarHBondContact CA-O 3.39Å; F153-Y165 WeakPolarHBondContact CD1-O 3.2Å; F153-I166 HydrophobicContact CD1-CB 4.07Å; F153-I166 HydrophobicContact CD1-CD1 4.39Å; F153-I166 HydrophobicContact CD1-CG1 4.14Å; F153-I166 HydrophobicContact CE1-CB 4.01Å; F153-I166 HydrophobicContact CE1-CD1 3.64Å; F153-I166 HydrophobicContact CE1-CG1 3.88Å; F153-I166 HydrophobicContact CE2-CD1 4.43Å; F153-I166 HydrophobicContact CZ-CD1 3.65Å; F153-I166 HydrophobicContact CZ-CG1 4.21Å
154	L	98.6	Very high	97.6	Very high	27 Å²	27	37 Å²	37	14%	0.141	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	151.3	-177	-81	63	0	0	0	110.1	L104 G105 P106 D151 V164 Y165 I167	L104-L154 HydrophobicContact CB-CB 4.13Å; L104-L154 HydrophobicContact CB-CD2 3.83Å; L104-L154 HydrophobicContact CD1-CB 4.02Å; L104-L154 HydrophobicContact CD1-CD2 4.19Å; G105-L154 WeakPolarHBondContact O-CD2 3.28Å; P106-L154 WeakPolarHBondContact O-CA 3.26Å; D151-L154 VanDerWaalsContact O-CD1 3.31Å; D151-L154 WeakPolarHBondContact O-CD1 3.47Å; L154-V164 CarbonylContact O-C 3.59Å; L154-Y165 PolarHBondContact N-O 3.16Å; L154-Y165 PolarHBondContact O-N 3.25Å; L154-I167 HydrophobicContact CD1-CD1 3.53Å; L154-I167 HydrophobicContact CD1-CG1 3.92Å; L154-I167 HydrophobicContact CD2-CD1 4.08Å; L154-I167 HydrophobicContact CG-CD1 4.48Å
155	M	98.7	Very high	97.6	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.025	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	148.8	169.4	-61.7	-54.8	-62.4	0	0	110.8	G105 P106 L108 L111 G161 N162 V164 F307 W309	G105-M155 VanDerWaalsContact CA-O 3.28Å; G105-M155 WeakPolarHBondContact CA-O 3.37Å; G105-M155 PolarHBondContact N-O 2.59Å; P106-M155 PolarHBondContact O-N 2.76Å; P106-M155 VanDerWaalsContact O-N 3.07Å; L108-M155 HydrophobicContact CD2-CG 4.5Å; L108-M155 HydrophobicContact CD2-SD 4.09Å; L111-M155 HydrophobicContact CD1-CB 4.43Å; L111-M155 HydrophobicContact CD1-CG 3.42Å; L111-M155 VanDerWaalsContact CD1-CG 3.42Å; M155-G161 VanDerWaalsContact CE-O 3.27Å; M155-G161 WeakPolarHBondContact CE-O 3.16Å; M155-N162 VanDerWaalsContact CE-C 3.45Å; M155-V164 HydrophobicContact CE-CG2 4.31Å; M155-V164 HydrophobicContact SD-CG2 3.82Å; M155-F307 HydrophobicContact CE-CE2 4.07Å; M155-F307 HydrophobicContact CE-CZ 4.2Å; M155-W309 HydrophobicContact CE-CZ2 4.14Å; M155-W309 HydrophobicContact CG-CZ2 4.05Å; M155-W309 HydrophobicContact SD-CH2 4.43Å; M155-W309 HydrophobicContact SD-CZ2 3.97Å
156	G	97.9	Very high	97.6	Very high	6 Å²	6	37.2 Å²	37.2	6%	0.062	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-66.7	171.2	171	0	0	0	0	0	113.5	K160 G161 L163	G156-K160 VanDerWaalsContact CA-O 3.31Å; G156-K160 WeakPolarHBondContact CA-O 3.47Å; G156-G161 WeakPolarHBondContact O-CA 3.13Å; G156-L163 PolarHBondContact N-O 3.36Å
157	L	94.8	Very high	97.6	Very high	86 Å²	86	37 Å²	37	45%	0.45	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-101.7	154.1	175	-67	178.5	0	0	0	112.3	L103 K159 K160	L103-L157 HydrophobicContact CB-CD1 4.37Å; L103-L157 HydrophobicContact CD2-CD1 4.27Å; L103-L157 HydrophobicContact CG-CD1 4.06Å; L103-L157 WeakPolarHBondContact O-CD1 3.43Å; L157-K159 PolarHBondContact O-N 2.94Å; L157-K160 PolarHBondContact O-N 3.49Å
158	G	95	Very high	97.4	Very high	72 Å²	72	37 Å²	37	74%	0.742	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	53.4	-122.8	174.8	0	0	0	0	0	113	K160 G161	G158-K160 PolarHBondContact O-N 3.03Å; G158-K160 VanDerWaalsContact O-N 3.1Å; G158-G161 PolarHBondContact O-N 2.82Å
159	K	94.2	Very high	97.2	Very high	214 Å²	214	36.8 Å²	36.8	93%	0.93	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-61.2	-15.1	178.2	-63.7	-172.4	-179.5	-176.5	0	114.3	L157	L157-K159 PolarHBondContact O-N 2.94Å
160	K	96.6	Very high	96.9	Very high	88 Å²	88	35.8 Å²	35.8	38%	0.383	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-97.2	11.9	174	-52.2	-173.4	-171.2	177.4	0	112.9	E102 G156 L157 G158 N162 L163 Y165	E102-K160 IonicContact OE1-NZ 2.96Å; E102-K160 PolarHBondContact OE1-NZ 2.81Å; G156-K160 VanDerWaalsContact CA-O 3.31Å; G156-K160 WeakPolarHBondContact CA-O 3.47Å; L157-K160 PolarHBondContact O-N 3.49Å; G158-K160 PolarHBondContact O-N 3.03Å; G158-K160 VanDerWaalsContact O-N 3.1Å; K160-N162 PolarHBondContact O-N 2.71Å; K160-N162 VanDerWaalsContact O-N 3.08Å; K160-L163 HydrophobicContact CB-CB 4.36Å; K160-L163 VanDerWaalsContact O-CB 3.31Å; K160-L163 WeakPolarHBondContact O-CB 3.25Å; K160-L163 PolarHBondContact O-N 2.55Å; K160-Y165 HydrophobicContact CD-CE2 4.35Å; K160-Y165 WeakPolarHBondContact CD-OH 3.31Å; K160-Y165 PolarHBondContact NZ-OH 2.98Å
161	G	96.4	Very high	96.6	Very high	29 Å²	29	37.1 Å²	37.1	30%	0.299	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-13.9	-173.3	0	0	0	0	0	116.5	M155 G156 G158	M155-G161 VanDerWaalsContact CE-O 3.27Å; M155-G161 WeakPolarHBondContact CE-O 3.16Å; G156-G161 WeakPolarHBondContact O-CA 3.13Å; G158-G161 PolarHBondContact O-N 2.82Å
162	N	97	Very high	96.5	Very high	55 Å²	55	34.2 Å²	34.2	29%	0.294	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-7.5	171.8	63	-26.9	0	0	0	114.1	Q130 M155 K160 Y305 F307	Q130-N162 PolarHBondContact NE2-O 3.05Å; M155-N162 VanDerWaalsContact CE-C 3.45Å; K160-N162 PolarHBondContact O-N 2.71Å; K160-N162 VanDerWaalsContact O-N 3.08Å; N162-Y305 HydrophobicContact CB-CD1 3.93Å; N162-Y305 HydrophobicContact CB-CG 3.96Å; N162-Y305 WeakPolarHBondContact ND2-CD1 3.19Å; N162-F307 HydrophobicContact CB-CE2 4.38Å
163	L	98.6	Very high	96.4	Very high	39 Å²	39	36.5 Å²	36.5	20%	0.204	21%	0.205	C	C	.	.			trans	-90.7	120.5	-175.9	-167.6	70.3	0	0	0	110.2	V82 R134 G156 K160 Y165	V82-L163 HydrophobicContact CG1-CD1 3.84Å; V82-L163 HydrophobicContact CG1-CD2 4.46Å; R134-L163 VanDerWaalsContact NH2-CD1 3.32Å; G156-L163 PolarHBondContact N-O 3.36Å; K160-L163 HydrophobicContact CB-CB 4.36Å; K160-L163 VanDerWaalsContact O-CB 3.31Å; K160-L163 WeakPolarHBondContact O-CB 3.25Å; K160-L163 PolarHBondContact O-N 2.55Å; L163-Y165 HydrophobicContact CB-CE2 4.4Å; L163-Y165 HydrophobicContact CD2-CD2 4.42Å; L163-Y165 HydrophobicContact CD2-CE2 3.79Å; L163-Y165 HydrophobicContact CG-CD2 4.47Å; L163-Y165 HydrophobicContact CG-CE2 4.24Å
164	V	98.8	Very high	96.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	137.8	168.5	-176.7	0	0	0	0	108.8	L127 Q130 M131 R134 F153 L154 M155	L127-V164 HydrophobicContact CD2-CG2 3.64Å; Q130-V164 HydrophobicContact CB-CB 3.94Å; Q130-V164 HydrophobicContact CB-CG2 3.85Å; Q130-V164 HydrophobicContact CG-CG2 4.37Å; M131-V164 HydrophobicContact CG-CG1 4.34Å; R134-V164 PolarHBondContact NE-O 3.23Å; R134-V164 PolarHBondContact NH2-O 3.33Å; F153-V164 HydrophobicContact CB-CG1 4.13Å; F153-V164 HydrophobicContact CD1-CG1 3.84Å; F153-V164 HydrophobicContact CG-CG1 4.42Å; L154-V164 CarbonylContact O-C 3.59Å; M155-V164 HydrophobicContact CE-CG2 4.31Å; M155-V164 HydrophobicContact SD-CG2 3.82Å
165	Y	98.8	Very high	96.3	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	163.7	169.9	-80.7	-112.1	0	0	0	110.5	G83 P85 E102 L104 F153 L154 K160 L163	G83-Y165 WeakPolarHBondContact O-CA 3.22Å; G83-Y165 WeakPolarHBondContact O-CD1 3.25Å; P85-Y165 HydrophobicContact CG-CD1 4.19Å; E102-Y165 PolarHBondContact OE1-OH 3.45Å; L104-Y165 HydrophobicContact CD1-CD1 3.73Å; L104-Y165 HydrophobicContact CD1-CD2 4.39Å; L104-Y165 HydrophobicContact CD1-CE1 4.41Å; L104-Y165 HydrophobicContact CD1-CG 3.69Å; L104-Y165 HydrophobicContact CD2-CD1 3.78Å; L104-Y165 HydrophobicContact CD2-CD2 3.91Å; L104-Y165 HydrophobicContact CD2-CE1 3.66Å; L104-Y165 HydrophobicContact CD2-CE2 3.81Å; L104-Y165 HydrophobicContact CD2-CG 3.89Å; L104-Y165 HydrophobicContact CG-CD1 4.42Å; L104-Y165 HydrophobicContact CG-CG 4.48Å; F153-Y165 VanDerWaalsContact CA-O 3.26Å; F153-Y165 WeakPolarHBondContact CA-O 3.39Å; F153-Y165 WeakPolarHBondContact CD1-O 3.2Å; L154-Y165 PolarHBondContact N-O 3.16Å; L154-Y165 PolarHBondContact O-N 3.25Å; K160-Y165 HydrophobicContact CD-CE2 4.35Å; K160-Y165 WeakPolarHBondContact CD-OH 3.31Å; K160-Y165 PolarHBondContact NZ-OH 2.98Å; L163-Y165 HydrophobicContact CB-CE2 4.4Å; L163-Y165 HydrophobicContact CD2-CD2 4.42Å; L163-Y165 HydrophobicContact CD2-CE2 3.79Å; L163-Y165 HydrophobicContact CG-CD2 4.47Å; L163-Y165 HydrophobicContact CG-CE2 4.24Å
166	I	98.7	Very high	96.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.9	168.3	-167.1	171.4	0	0	0	110.9	G83 I84 P85 R134 I138 N152 F153 F169	G83-I166 PolarHBondContact O-N 2.99Å; G83-I166 VanDerWaalsContact O-N 3.08Å; I84-I166 HydrophobicContact CD1-CG2 3.97Å; P85-I166 WeakPolarHBondContact CD-O 3.25Å; R134-I166 HydrophobicContact CB-CB 4.18Å; R134-I166 HydrophobicContact CB-CG2 3.89Å; R134-I166 HydrophobicContact CG-CB 4.41Å; R134-I166 HydrophobicContact CG-CG2 4.3Å; I138-I166 HydrophobicContact CD1-CD1 3.73Å; I138-I166 HydrophobicContact CD1-CG2 3.78Å; N152-I166 WeakPolarHBondContact O-CA 3.31Å; F153-I166 HydrophobicContact CD1-CB 4.07Å; F153-I166 HydrophobicContact CD1-CD1 4.39Å; F153-I166 HydrophobicContact CD1-CG1 4.14Å; F153-I166 HydrophobicContact CE1-CB 4.01Å; F153-I166 HydrophobicContact CE1-CD1 3.64Å; F153-I166 HydrophobicContact CE1-CG1 3.88Å; F153-I166 HydrophobicContact CE2-CD1 4.43Å; F153-I166 HydrophobicContact CZ-CD1 3.65Å; F153-I166 HydrophobicContact CZ-CG1 4.21Å; I166-F169 HydrophobicContact CG2-CZ 4.23Å
167	I	96.8	Very high	96.3	Very high	37 Å²	37	43.7 Å²	43.7	19%	0.19	23%	0.234	C	C	.	.			trans	-135	178.2	-172.2	71.4	163.1	0	0	0	113.5	P85 L104 H145 N152 L154	P85-I167 HydrophobicContact CG-CG2 3.8Å; L104-I167 HydrophobicContact CD1-CG2 4.03Å; H145-I167 PolarHBondContact CE1-O 2.86Å; H145-I167 VanDerWaalsContact CE1-O 3.28Å; H145-I167 PolarHBondContact NE2-O 2.69Å; N152-I167 HydrophobicContact CB-CG1 4.4Å; N152-I167 PolarHBondContact O-N 3.01Å; L154-I167 HydrophobicContact CD1-CD1 3.53Å; L154-I167 HydrophobicContact CD1-CG1 3.92Å; L154-I167 HydrophobicContact CD2-CD1 4.08Å; L154-I167 HydrophobicContact CG-CD1 4.48Å
168	D	94	Very high	96.4	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.037	24%	0.235	C	C	.	.			trans	59.5	65	176.5	-158.2	13.3	0	0	0	114.9	S38 K57 Y75 H145 G170	S38-D168 VanDerWaalsContact CB-OD2 3.25Å; S38-D168 WeakPolarHBondContact CB-OD2 3.16Å; S38-D168 PolarHBondContact N-OD2 3.32Å; S38-D168 PolarHBondContact OG-OD2 2.7Å; K57-D168 IonicContact NZ-OD1 2.69Å; K57-D168 PolarHBondContact NZ-OD1 3.08Å; Y75-D168 PolarHBondContact OH-N 2.9Å; Y75-D168 VanDerWaalsContact OH-N 3.11Å; H145-D168 PolarHBondContact NE2-O 3.07Å; D168-G170 PolarHBondContact O-N 3.26Å; D168-G170 VanDerWaalsContact O-N 3.09Å
169	F	94.5	Very high	96.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-72.1	9.2	174.4	-62	-67.5	0	0	0	114.2	E71 F74 Y75 M78 I84 I138 H145 I166 L171 A172	E71-F169 HydrophobicContact CG-CB 3.98Å; E71-F169 PolarHBondContact OE1-N 2.8Å; F74-F169 HydrophobicContact CB-CB 4.04Å; F74-F169 HydrophobicContact CB-CG 4.48Å; F74-F169 HydrophobicContact CD2-CB 4.08Å; F74-F169 WeakPolarHBondContact CD2-O 3.44Å; Y75-F169 AromaticContact CD1-CD2 3.61Å; Y75-F169 HydrophobicContact CD1-CD2 3.61Å; Y75-F169 AromaticContact CD1-CE2 3.59Å; Y75-F169 HydrophobicContact CD1-CE2 3.59Å; Y75-F169 HydrophobicContact CD2-CD2 4.07Å; Y75-F169 AromaticContact CE1-CD2 3.43Å; Y75-F169 HydrophobicContact CE1-CD2 3.43Å; Y75-F169 VanDerWaalsContact CE1-CD2 3.43Å; Y75-F169 AromaticContact CE1-CE2 3.42Å; Y75-F169 HydrophobicContact CE1-CE2 3.42Å; Y75-F169 VanDerWaalsContact CE1-CE2 3.42Å; Y75-F169 AromaticContact CE2-CD2 3.93Å; Y75-F169 HydrophobicContact CE2-CD2 3.93Å; Y75-F169 AromaticContact CG-CD2 3.91Å; Y75-F169 HydrophobicContact CG-CD2 3.91Å; Y75-F169 HydrophobicContact CG-CE2 4.29Å; Y75-F169 AromaticContact CZ-CD2 3.59Å; M78-F169 HydrophobicContact CE-CD1 4.04Å; M78-F169 HydrophobicContact CE-CE1 3.95Å; M78-F169 HydrophobicContact CE-CZ 4.47Å; M78-F169 HydrophobicContact SD-CD1 4.02Å; M78-F169 HydrophobicContact SD-CD2 4.39Å; M78-F169 HydrophobicContact SD-CE1 3.47Å; M78-F169 WeakPolarHBondContact SD-CE1 3.22Å; M78-F169 HydrophobicContact SD-CE2 3.9Å; M78-F169 HydrophobicContact SD-CG 4.46Å; M78-F169 HydrophobicContact SD-CZ 3.42Å; M78-F169 WeakPolarHBondContact SD-CZ 3.34Å; I84-F169 HydrophobicContact CD1-CZ 4.04Å; I138-F169 HydrophobicContact CD1-CE1 3.68Å; I138-F169 HydrophobicContact CD1-CZ 4.23Å; I138-F169 HydrophobicContact CG1-CE1 3.9Å; I138-F169 HydrophobicContact CG1-CZ 4.36Å; H145-F169 AromaticContact CD2-CD1 3.82Å; H145-F169 AromaticContact CD2-CE1 3.72Å; I166-F169 HydrophobicContact CG2-CZ 4.23Å; F169-L171 PolarHBondContact O-N 2.76Å; F169-A172 HydrophobicContact CB-CB 3.99Å; F169-A172 HydrophobicContact CD1-CB 4.12Å; F169-A172 VanDerWaalsContact O-CB 3.24Å; F169-A172 WeakPolarHBondContact O-CB 3.32Å; F169-A172 PolarHBondContact O-N 2.95Å
170	G	91.6	Very high	96.6	Very high	8 Å²	8	42.6 Å²	42.6	8%	0.082	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-58.4	-32.6	179.3	0	0	0	0	0	112.8	Q67 D168	Q67-G170 PolarHBondContact OE1-O 2.98Å; D168-G170 PolarHBondContact O-N 3.26Å; D168-G170 VanDerWaalsContact O-N 3.09Å
171	L	93.3	Very high	96.7	Very high	27 Å²	27	43.3 Å²	43.3	14%	0.141	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-91	-1.4	174.4	-71	177.9	0	0	0	114.3	F39 H145 R146 D147 F169 T193	F39-L171 HydrophobicContact CE2-CD2 4.01Å; F39-L171 HydrophobicContact CE2-CG 4.02Å; F39-L171 HydrophobicContact CZ-CD2 3.68Å; F39-L171 HydrophobicContact CZ-CG 4.18Å; H145-L171 CarbonylContact O-C 3.59Å; R146-L171 PolarHBondContact NE-O 2.79Å; R146-L171 PolarHBondContact NH2-O 3.46Å; D147-L171 HydrophobicContact CB-CB 4.4Å; D147-L171 HydrophobicContact CB-CD1 3.77Å; F169-L171 PolarHBondContact O-N 2.76Å; L171-T193 HydrophobicContact CD1-CG2 4.4Å; L171-T193 HydrophobicContact CD2-CG2 3.8Å
172	A	95.8	Very high	96.8	Very high	8 Å²	8	48.9 Å²	48.9	7%	0.066	24%	0.239	C	C	.	.			trans	-65.7	156	-177.3	0	0	0	0	0	113.1	F74 I144 F169	F74-A172 HydrophobicContact CD2-CB 3.96Å; F74-A172 HydrophobicContact CE2-CB 4.06Å; I144-A172 CarbonylContact O-C 3.5Å; I144-A172 WeakPolarHBondContact O-CA 3.41Å; I144-A172 WeakPolarHBondContact O-CB 3.45Å; F169-A172 HydrophobicContact CB-CB 3.99Å; F169-A172 HydrophobicContact CD1-CB 4.12Å; F169-A172 VanDerWaalsContact O-CB 3.24Å; F169-A172 WeakPolarHBondContact O-CB 3.32Å; F169-A172 PolarHBondContact O-N 2.95Å
173	K	95.8	Very high	96.9	Very high	55 Å²	55	47.9 Å²	47.9	24%	0.239	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	142.2	-178.1	175.2	171.1	170.5	173.5	0	112.2	F143 I144 Y175 E208	F143-K173 CarbonylContact C-O 3.59Å; F143-K173 VanDerWaalsContact CA-O 3.24Å; F143-K173 WeakPolarHBondContact CA-O 3.46Å; I144-K173 HydrophobicContact CG1-CB 4.21Å; I144-K173 WeakPolarHBondContact CG1-O 3.45Å; I144-K173 PolarHBondContact N-O 2.82Å; I144-K173 PolarHBondContact O-N 3.33Å; K173-Y175 PolarHBondContact O-N 3.25Å; K173-E208 IonicContact NZ-OE1 2.8Å; K173-E208 PolarHBondContact NZ-OE1 3.42Å; K173-E208 IonicContact NZ-OE2 2.68Å; K173-E208 PolarHBondContact NZ-OE2 3.19Å
174	K	97.4	Very high	96.9	Very high	90 Å²	90	47.8 Å²	47.8	39%	0.391	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	120.2	172.5	-176.8	177.7	172.3	-171	0	109.5	N142 F143 R176 D177	N142-K174 CarbonylContact O-C 3.55Å; N142-K174 WeakPolarHBondContact O-CA 3.4Å; F143-K174 HydrophobicContact CD1-CB 4.13Å; F143-K174 HydrophobicContact CE1-CB 3.9Å; K174-R176 WeakPolarHBondContact CE-O 3.34Å; K174-R176 WeakPolarHBondContact CG-O 3.33Å; K174-D177 IonicContact NZ-OD2 3.71Å; K174-D177 PolarHBondContact NZ-OD2 3.49Å
175	Y	98.6	Very high	96.9	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.016	26%	0.256	C	S	.	.			trans	-102.2	-14.1	-177.3	79.6	-90.1	0	0	0	114	H139 N142 F143 I144 K173 H183 I184 R211	H139-Y175 HydrophobicContact CB-CE1 4.45Å; H139-Y175 VanDerWaalsContact O-CE1 3.27Å; H139-Y175 WeakPolarHBondContact O-CE1 3.46Å; H139-Y175 PolarHBondContact O-OH 3.28Å; N142-Y175 VanDerWaalsContact O-CD1 3.22Å; N142-Y175 WeakPolarHBondContact O-CD1 3.44Å; N142-Y175 PolarHBondContact O-N 3.01Å; F143-Y175 VanDerWaalsContact C-CD1 3.48Å; F143-Y175 WeakPolarHBondContact O-CD1 3.47Å; F143-Y175 WeakPolarHBondContact O-CE1 3.31Å; I144-Y175 HydrophobicContact CG2-CD1 3.83Å; I144-Y175 HydrophobicContact CG2-CG 4.04Å; K173-Y175 PolarHBondContact O-N 3.25Å; Y175-H183 AromaticContact CD2-CD2 3.59Å; Y175-H183 AromaticContact CD2-NE2 3.52Å; Y175-I184 WeakPolarHBondContact O-CG1 3.41Å; Y175-I184 PolarHBondContact O-N 2.68Å; Y175-R211 HydrophobicContact CD1-CG 4.48Å; Y175-R211 HydrophobicContact CD2-CG 4.21Å; Y175-R211 HydrophobicContact CE1-CG 4.21Å; Y175-R211 VanDerWaalsContact CE2-CD 3.49Å; Y175-R211 HydrophobicContact CE2-CG 3.93Å; Y175-R211 VanDerWaalsContact CE2-NE 3.33Å; Y175-R211 HydrophobicContact CG-CG 4.49Å
176	R	98.3	Very high	96.8	Very high	46 Å²	46	56.4 Å²	56.4	17%	0.174	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-147.7	161.5	173.4	67.1	175.9	-174.5	177.2	3.3	110.6	S140 N142 K174 H181 Q182	S140-R176 PolarHBondContact O-NH2 2.92Å; N142-R176 HydrophobicContact CB-CG 3.96Å; N142-R176 VanDerWaalsContact OD1-CZ 3.22Å; N142-R176 PolarHBondContact OD1-NE 3.31Å; N142-R176 PolarHBondContact OD1-NH2 3.4Å; K174-R176 WeakPolarHBondContact CE-O 3.34Å; K174-R176 WeakPolarHBondContact CG-O 3.33Å; R176-H181 PolarHBondContact NE-CD2 3.12Å; R176-H181 PolarHBondContact NH2-CD2 2.87Å; R176-H181 PolarHBondContact NH2-NE2 3.33Å; R176-Q182 CarbonylContact C-O 3.54Å; R176-Q182 WeakPolarHBondContact CA-O 3.33Å; R176-Q182 WeakPolarHBondContact CB-O 3.14Å
177	D	98	Very high	96.8	Very high	48 Å²	48	63.1 Å²	63.1	26%	0.257	30%	0.3	S	S	.	.			trans	-65	150.3	172	-171.8	-113.9	0	0	0	112.8	K174 R179 T180 H181 Q182	K174-D177 IonicContact NZ-OD2 3.71Å; K174-D177 PolarHBondContact NZ-OD2 3.49Å; D177-R179 WeakPolarHBondContact OD1-CA 3.39Å; D177-R179 WeakPolarHBondContact OD1-CB 3.33Å; D177-R179 PolarHBondContact OD1-N 3.03Å; D177-T180 WeakPolarHBondContact CB-OG1 3.43Å; D177-T180 PolarHBondContact OD1-N 3.44Å; D177-H181 VanDerWaalsContact O-CA 3.26Å; D177-H181 WeakPolarHBondContact O-CA 3.35Å; D177-H181 PolarHBondContact O-N 3.19Å; D177-Q182 PolarHBondContact N-O 3.5Å
178	A	96	Very high	96.8	Very high	56 Å²	56	66.5 Å²	66.5	46%	0.463	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.9	-178.2	0	0	0	0	0	113.8
179	R	96.5	Very high	96.9	Very high	217 Å²	217	73.6 Å²	73.6	82%	0.819	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-48.2	176.2	-176.9	-177.5	66.1	150.5	1.4	111.7	D177	D177-R179 WeakPolarHBondContact OD1-CA 3.39Å; D177-R179 WeakPolarHBondContact OD1-CB 3.33Å; D177-R179 PolarHBondContact OD1-N 3.03Å
180	T	97.9	Very high	96.9	Very high	77 Å²	77	76.6 Å²	76.6	47%	0.472	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-11.3	-176.9	69.4	0	0	0	0	113.8	D177 Q182	D177-T180 WeakPolarHBondContact CB-OG1 3.43Å; D177-T180 PolarHBondContact OD1-N 3.44Å; T180-Q182 PolarHBondContact O-N 2.59Å; T180-Q182 WeakPolarHBondContact OG1-CB 3.27Å; T180-Q182 PolarHBondContact OG1-N 2.8Å
181	H	97.9	Very high	96.9	Very high	103 Å²	103	83.4 Å²	83.4	48%	0.477	40%	0.401	S	S	.	.			trans	54.2	10.4	-170	-66.8	147.8	0	0	0	115.7	R176 D177 H183	R176-H181 PolarHBondContact NE-CD2 3.12Å; R176-H181 PolarHBondContact NH2-CD2 2.87Å; R176-H181 PolarHBondContact NH2-NE2 3.33Å; D177-H181 VanDerWaalsContact O-CA 3.26Å; D177-H181 WeakPolarHBondContact O-CA 3.35Å; D177-H181 PolarHBondContact O-N 3.19Å; H181-H183 PolarHBondContact O-N 3.46Å
182	Q	98.4	Very high	96.8	Very high	145 Å²	145	84.1 Å²	84.1	68%	0.678	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-59.7	125	175.8	-174.9	-179.8	18.3	0	0	110.3	R176 D177 T180	R176-Q182 CarbonylContact C-O 3.54Å; R176-Q182 WeakPolarHBondContact CA-O 3.33Å; R176-Q182 WeakPolarHBondContact CB-O 3.14Å; D177-Q182 PolarHBondContact N-O 3.5Å; T180-Q182 PolarHBondContact O-N 2.59Å; T180-Q182 WeakPolarHBondContact OG1-CB 3.27Å; T180-Q182 PolarHBondContact OG1-N 2.8Å
183	H	98.8	Very high	96.6	Very high	35 Å²	35	85.4 Å²	85.4	16%	0.162	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-66.3	153.1	179.9	-155.3	-95.5	0	0	0	111.6	Y175 H181 R211 F279 D280	Y175-H183 AromaticContact CD2-CD2 3.59Å; Y175-H183 AromaticContact CD2-NE2 3.52Å; H181-H183 PolarHBondContact O-N 3.46Å; H183-R211 PolarHBondContact CD2-NH2 3.47Å; H183-R211 PolarHBondContact NE2-NH2 3.48Å; H183-F279 AromaticContact CE1-CD1 3.94Å; H183-F279 AromaticContact CE1-CE1 3.65Å; H183-F279 AromaticContact CE1-CZ 3.85Å; H183-F279 PolarHBondContact CE1-O 3.3Å; H183-F279 AromaticContact ND1-CD1 3.99Å; H183-F279 AromaticContact ND1-CE1 3.53Å; H183-F279 PolarHBondContact NE2-O 2.98Å; H183-D280 HydrophobicContact CB-CB 4.17Å
184	I	98.6	Very high	96.4	Very high	36 Å²	36	83.6 Å²	83.6	19%	0.185	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-60.5	145.9	166.1	58.2	174.3	0	0	0	109.7	Y175 E208 F279	Y175-I184 WeakPolarHBondContact O-CG1 3.41Å; Y175-I184 PolarHBondContact O-N 2.68Å; I184-E208 HydrophobicContact CD1-CG 3.82Å; I184-F279 HydrophobicContact CD1-CZ 4.33Å; I184-F279 HydrophobicContact CG1-CZ 4.01Å; I184-F279 VanDerWaalsContact O-CE1 3.28Å; I184-F279 WeakPolarHBondContact O-CE1 3.13Å
185	P	98.3	Very high	96.3	Very high	78 Å²	78	81.4 Å²	81.4	51%	0.506	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-67.2	148.5	176.1	28.4	-35.5	0	0	0	111.2
186	Y	98.4	Very high	96.2	Very high	107 Å²	107	81.5 Å²	81.5	42%	0.42	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-59.5	139.5	171.2	179.2	-94.4	0	0	0	110.5	E188 I207 F279	Y186-E188 HydrophobicContact CE1-CG 3.56Å; Y186-E188 VanDerWaalsContact CE1-OE1 3.24Å; Y186-E188 WeakPolarHBondContact CE1-OE1 3.14Å; Y186-E188 PolarHBondContact OH-OE1 3.08Å; Y186-I207 HydrophobicContact CD2-CG2 4.21Å; Y186-I207 HydrophobicContact CE2-CG2 3.45Å; Y186-I207 VanDerWaalsContact CE2-CG2 3.45Å; Y186-F279 VanDerWaalsContact CA-CE1 3.42Å; Y186-F279 HydrophobicContact CD2-CB 4.19Å; Y186-F279 HydrophobicContact CD2-CD1 4.09Å; Y186-F279 HydrophobicContact CD2-CD2 4.2Å; Y186-F279 AromaticContact CD2-CG 3.9Å; Y186-F279 HydrophobicContact CD2-CG 3.9Å
187	R	97.9	Very high	96.2	Very high	141 Å²	141	83.2 Å²	83.2	53%	0.532	41%	0.411	S	S	.	.			trans	-150.6	147.3	178.5	-60.4	-176.4	-173.8	-159.8	1.4	110.1	E208	R187-E208 HydrophobicContact CB-CB 4.15Å; R187-E208 WeakPolarHBondContact O-CB 3.38Å; R187-E208 PolarHBondContact O-N 3.22Å
188	E	97.3	Very high	96.2	Very high	109 Å²	109	81 Å²	81	51%	0.509	40%	0.399	S	S	.	.			trans	-112.1	-166.7	176.1	-59.8	-177.3	170.7	0	0	110.5	Y186 K190 G206	Y186-E188 HydrophobicContact CE1-CG 3.56Å; Y186-E188 VanDerWaalsContact CE1-OE1 3.24Å; Y186-E188 WeakPolarHBondContact CE1-OE1 3.14Å; Y186-E188 PolarHBondContact OH-OE1 3.08Å; E188-K190 PolarHBondContact O-N 2.62Å; E188-G206 CarbonylContact C-O 3.52Å; E188-G206 WeakPolarHBondContact CA-O 3.27Å
189	N	94.9	Very high	96.3	Very high	156 Å²	156	78.7 Å²	78.7	83%	0.834	38%	0.38	S	S	*	.			trans	54.1	37	177.2	-62.2	-62.1	0	0	0	113.9	G206	N189-G206 PolarHBondContact N-O 3.41Å
190	K	95.8	Very high	96.4	Very high	63 Å²	63	68.3 Å²	68.3	27%	0.274	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-86.4	143.7	174.3	-57.7	-56.9	-170	158.1	0	112	E188 G206 E208	E188-K190 PolarHBondContact O-N 2.62Å; K190-G206 VanDerWaalsContact CB-O 3.24Å; K190-G206 WeakPolarHBondContact CB-O 3.48Å; K190-G206 VanDerWaalsContact CG-O 3.31Å; K190-G206 WeakPolarHBondContact CG-O 3.29Å; K190-G206 PolarHBondContact N-O 2.81Å; K190-G206 VanDerWaalsContact O-CA 3.26Å; K190-G206 WeakPolarHBondContact O-CA 3.42Å; K190-E208 WeakPolarHBondContact CE-OE2 3.24Å; K190-E208 HydrophobicContact CG-CB 4.39Å; K190-E208 IonicContact NZ-OE1 3.74Å; K190-E208 IonicContact NZ-OE2 3.56Å; K190-E208 PolarHBondContact NZ-OE2 3.16Å
191	N	91.6	Very high	96.5	Very high	150 Å²	150	65.9 Å²	65.9	80%	0.802	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-70.4	135.9	163.9	-67.1	-34.4	0	0	0	110.2	T193	N191-T193 PolarHBondContact O-N 3.42Å; N191-T193 VanDerWaalsContact O-N 3.16Å; N191-T193 PolarHBondContact O-OG1 3.46Å
192	L	90.7	Very high	96.5	Very high	42 Å²	42	62.3 Å²	62.3	22%	0.22	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-51.8	122.3	173	-177.5	149.4	0	0	0	109.8	G194 A196 T203 H204 Y244	L192-G194 WeakPolarHBondContact CD2-O 3.43Å; L192-A196 HydrophobicContact CD1-CB 3.87Å; L192-A196 HydrophobicContact CD2-CB 3.93Å; L192-T203 HydrophobicContact CG-CG2 4Å; L192-H204 VanDerWaalsContact CD1-CE1 3.49Å; L192-H204 WeakPolarHBondContact CD1-CE1 3.42Å; L192-H204 WeakPolarHBondContact CD1-ND1 3.47Å; L192-Y244 HydrophobicContact CB-CD2 4.44Å; L192-Y244 HydrophobicContact CD1-CD2 4.15Å; L192-Y244 HydrophobicContact CD1-CG 4.28Å; L192-Y244 HydrophobicContact CD2-CD2 4.21Å; L192-Y244 HydrophobicContact CD2-CE2 3.87Å; L192-Y244 HydrophobicContact CG-CD2 4.5Å
193	T	91.4	Very high	96.4	Very high	35 Å²	35	55.6 Å²	55.6	22%	0.215	28%	0.278	C	S	.	.			trans	-113.8	139	179.2	-56.7	0	0	0	0	108.9	L171 N191 Q209	L171-T193 HydrophobicContact CD1-CG2 4.4Å; L171-T193 HydrophobicContact CD2-CG2 3.8Å; N191-T193 PolarHBondContact O-N 3.42Å; N191-T193 VanDerWaalsContact O-N 3.16Å; N191-T193 PolarHBondContact O-OG1 3.46Å; T193-Q209 PolarHBondContact O-NE2 3.27Å
194	G	92.5	Very high	96.4	Very high	18 Å²	18	55.3 Å²	55.3	19%	0.186	28%	0.277	C	S	.	.	S	Bend	trans	79.9	-167.8	-176.9	0	0	0	0	0	114.2	D147 L192 A196	D147-G194 WeakPolarHBondContact OD1-CA 3.18Å; L192-G194 WeakPolarHBondContact CD2-O 3.43Å; G194-A196 PolarHBondContact O-N 3.04Å
195	T	94.8	Very high	96.3	Very high	44 Å²	44	58.5 Å²	58.5	27%	0.27	29%	0.293	S	S	.	.			trans	-82.6	102.4	-169.1	-58.6	0	0	0	0	111.7	D147 K149 R197 Y198 A199	D147-T195 VanDerWaalsContact OD1-CB 3.25Å; D147-T195 WeakPolarHBondContact OD1-CB 3.5Å; D147-T195 PolarHBondContact OD1-N 2.66Å; D147-T195 PolarHBondContact OD1-OG1 2.82Å; K149-T195 WeakPolarHBondContact CD-OG1 3.27Å; T195-R197 HydrophobicContact CG2-CB 4.21Å; T195-R197 PolarHBondContact O-N 3.32Å; T195-Y198 HydrophobicContact CG2-CD2 3.75Å; T195-Y198 HydrophobicContact CG2-CE2 4.07Å; T195-Y198 PolarHBondContact O-N 2.99Å; T195-A199 PolarHBondContact O-N 2.64Å
196	A	96.5	Very high	96.3	Very high	5 Å²	5	55.1 Å²	55.1	4%	0.041	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-26.1	-176.6	0	0	0	0	0	116.4	L192 G194 Y198 H204 Y244	L192-A196 HydrophobicContact CD1-CB 3.87Å; L192-A196 HydrophobicContact CD2-CB 3.93Å; G194-A196 PolarHBondContact O-N 3.04Å; A196-Y198 VanDerWaalsContact C-N 3.31Å; A196-Y198 PolarHBondContact O-N 2.85Å; A196-H204 PolarHBondContact O-NE2 3.28Å; A196-Y244 HydrophobicContact CB-CD1 3.46Å; A196-Y244 VanDerWaalsContact CB-CD1 3.46Å; A196-Y244 HydrophobicContact CB-CE1 3.37Å; A196-Y244 HydrophobicContact CB-CG 4.16Å
197	R	98.1	Very high	96.3	Very high	83 Å²	83	51 Å²	51	31%	0.313	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-41.7	173.3	-165.4	-163.9	-60.3	170.3	1.9	111.3	T195 Y224 L230 W232 Q233 K251	T195-R197 HydrophobicContact CG2-CB 4.21Å; T195-R197 PolarHBondContact O-N 3.32Å; R197-Y224 PolarHBondContact NH1-OH 3.34Å; R197-L230 HydrophobicContact CG-CD1 4.16Å; R197-W232 PolarHBondContact O-NE1 3.23Å; R197-Q233 HydrophobicContact CG-CG 4.1Å; R197-K251 WeakPolarHBondContact O-CE 3.39Å; R197-K251 PolarHBondContact O-NZ 2.87Å; R197-K251 VanDerWaalsContact O-NZ 3.09Å
198	Y	98.5	Very high	96.3	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.008	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-27.4	-175.1	-50.9	-63.6	0	0	0	112.8	V148 K149 P150 T195 A196 S217 Y220 V221 Y224 L230 K251	V148-Y198 WeakPolarHBondContact O-CB 3.43Å; K149-Y198 HydrophobicContact CB-CD2 3.46Å; K149-Y198 VanDerWaalsContact CB-CD2 3.46Å; K149-Y198 HydrophobicContact CB-CE2 3.59Å; K149-Y198 HydrophobicContact CB-CG 4.49Å; P150-Y198 VanDerWaalsContact CD-CE2 3.41Å; P150-Y198 WeakPolarHBondContact CD-OH 3.34Å; P150-Y198 HydrophobicContact CG-CE1 4.48Å; P150-Y198 HydrophobicContact CG-CE2 4.42Å; P150-Y198 WeakPolarHBondContact CG-OH 3.29Å; T195-Y198 HydrophobicContact CG2-CD2 3.75Å; T195-Y198 HydrophobicContact CG2-CE2 4.07Å; T195-Y198 PolarHBondContact O-N 2.99Å; A196-Y198 VanDerWaalsContact C-N 3.31Å; A196-Y198 PolarHBondContact O-N 2.85Å; Y198-S217 WeakPolarHBondContact O-CA 3.47Å; Y198-S217 PolarHBondContact O-OG 2.93Å; Y198-Y220 WeakPolarHBondContact O-CD2 3.25Å; Y198-V221 HydrophobicContact CD1-CG2 3.56Å; Y198-V221 HydrophobicContact CD2-CG2 4.45Å; Y198-V221 HydrophobicContact CE1-CG2 3.95Å; Y198-V221 HydrophobicContact CG-CG2 3.84Å; Y198-Y224 HydrophobicContact CE1-CD1 4.34Å; Y198-Y224 HydrophobicContact CE1-CD2 4.38Å; Y198-Y224 HydrophobicContact CE1-CG 4.06Å; Y198-L230 HydrophobicContact CD1-CD1 4.09Å; Y198-L230 HydrophobicContact CE1-CD1 4.05Å; Y198-K251 PolarHBondContact O-NZ 2.94Å
199	A	98.3	Very high	96.4	Very high	6 Å²	6	40.2 Å²	40.2	5%	0.05	21%	0.213	C	C	.	.			trans	-45.3	141	179.3	0	0	0	0	0	115.3	T195 T203 K251	T195-A199 PolarHBondContact O-N 2.64Å; A199-T203 HydrophobicContact CB-CG2 3.88Å; A199-K251 PolarHBondContact O-NZ 2.81Å
200	S	98.6	Very high	96.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.			trans	-59.9	159.5	-179.9	66.7	0	0	0	0	113.9	N202 T203 H204 D213 E216	S200-N202 VanDerWaalsContact C-N 3.27Å; S200-N202 PolarHBondContact O-N 3.17Å; S200-T203 WeakPolarHBondContact O-CB 3.39Å; S200-T203 PolarHBondContact O-N 2.6Å; S200-T203 VanDerWaalsContact O-N 3.12Å; S200-T203 WeakPolarHBondContact OG-CB 3.28Å; S200-T203 PolarHBondContact OG-N 2.89Å; S200-T203 VanDerWaalsContact OG-N 3.09Å; S200-T203 PolarHBondContact OG-OG1 3.36Å; S200-H204 PolarHBondContact O-CD2 3.33Å; S200-H204 PolarHBondContact O-N 2.9Å; S200-D213 VanDerWaalsContact CB-OD1 3.28Å; S200-D213 WeakPolarHBondContact CB-OD1 3.31Å; S200-D213 PolarHBondContact OG-OD1 3.24Å; S200-E216 WeakPolarHBondContact CA-OE1 3.37Å; S200-E216 WeakPolarHBondContact CB-OE2 3.37Å
201	I	98.3	Very high	96.7	Very high	26 Å²	26	30.5 Å²	30.5	13%	0.133	16%	0.164	C	C	.	.	H	α-helix	trans	-58.6	-41.3	172.4	-71.7	-174.6	0	0	0	110.9	T203 H204 L205 E216 K251 M252 R275	I201-T203 VanDerWaalsContact C-N 3.27Å; I201-T203 PolarHBondContact O-N 3.12Å; I201-H204 PolarHBondContact O-N 2.79Å; I201-H204 VanDerWaalsContact O-N 3.1Å; I201-L205 HydrophobicContact CG2-CD1 4.02Å; I201-L205 HydrophobicContact CG2-CG 4.48Å; I201-L205 PolarHBondContact O-N 3.33Å; I201-E216 PolarHBondContact N-OE1 3.16Å; I201-K251 HydrophobicContact CD1-CB 4.35Å; I201-K251 HydrophobicContact CG1-CB 4.14Å; I201-M252 HydrophobicContact CD1-CG 4.25Å; I201-M252 HydrophobicContact CG2-CE 3.81Å; I201-M252 HydrophobicContact CG2-CG 4.16Å; I201-R275 VanDerWaalsContact CD1-CZ 3.49Å
202	N	98.4	Very high	97	Very high	27 Å²	27	24.6 Å²	24.6	14%	0.144	13%	0.13	C	C	.	.	H	α-helix	trans	-57.5	-39.5	175.4	-56	-51	0	0	0	112.1	S200 H204 L205 G206 I207 R212 D213	S200-N202 VanDerWaalsContact C-N 3.27Å; S200-N202 PolarHBondContact O-N 3.17Å; N202-H204 VanDerWaalsContact C-N 3.34Å; N202-H204 PolarHBondContact O-N 3.35Å; N202-L205 CarbonylContact O-C 3.59Å; N202-L205 PolarHBondContact O-N 3.03Å; N202-G206 PolarHBondContact O-N 3.17Å; N202-I207 HydrophobicContact CB-CB 4.07Å; N202-I207 HydrophobicContact CB-CD1 4.16Å; N202-I207 HydrophobicContact CB-CG2 4.46Å; N202-I207 WeakPolarHBondContact O-CB 3.25Å; N202-I207 PolarHBondContact O-N 3.32Å; N202-R212 PolarHBondContact ND2-NE 3.41Å; N202-R212 PolarHBondContact ND2-NH2 2.99Å; N202-D213 WeakPolarHBondContact CB-OD1 3.24Å; N202-D213 PolarHBondContact ND2-OD1 3.22Å; N202-D213 VanDerWaalsContact ND2-OD1 3.08Å
203	T	97.9	Very high	97.4	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.031	12%	0.12	C	C	.	.	H	α-helix	trans	-63.1	-39.7	177	-60.9	0	0	0	0	112.1	L192 A199 S200 I201 L205 G206 Q209	L192-T203 HydrophobicContact CG-CG2 4Å; A199-T203 HydrophobicContact CB-CG2 3.88Å; S200-T203 WeakPolarHBondContact O-CB 3.39Å; S200-T203 PolarHBondContact O-N 2.6Å; S200-T203 VanDerWaalsContact O-N 3.12Å; S200-T203 WeakPolarHBondContact OG-CB 3.28Å; S200-T203 PolarHBondContact OG-N 2.89Å; S200-T203 VanDerWaalsContact OG-N 3.09Å; S200-T203 PolarHBondContact OG-OG1 3.36Å; I201-T203 VanDerWaalsContact C-N 3.27Å; I201-T203 PolarHBondContact O-N 3.12Å; T203-L205 VanDerWaalsContact C-N 3.33Å; T203-G206 PolarHBondContact O-N 3.4Å; T203-Q209 VanDerWaalsContact OG1-CG 3.31Å; T203-Q209 WeakPolarHBondContact OG1-CG 3.31Å; T203-Q209 PolarHBondContact OG1-NE2 2.67Å
204	H	97.4	Very high	97.8	Very high	29 Å²	29	21.1 Å²	21.1	13%	0.134	11%	0.11	C	C	.	.	H	α-helix	trans	-70.4	-30.3	176.1	-79.2	-85.4	0	0	0	112.5	L192 A196 S200 I201 N202 G206 S248	L192-H204 VanDerWaalsContact CD1-CE1 3.49Å; L192-H204 WeakPolarHBondContact CD1-CE1 3.42Å; L192-H204 WeakPolarHBondContact CD1-ND1 3.47Å; A196-H204 PolarHBondContact O-NE2 3.28Å; S200-H204 PolarHBondContact O-CD2 3.33Å; S200-H204 PolarHBondContact O-N 2.9Å; I201-H204 PolarHBondContact O-N 2.79Å; I201-H204 VanDerWaalsContact O-N 3.1Å; N202-H204 VanDerWaalsContact C-N 3.34Å; N202-H204 PolarHBondContact O-N 3.35Å; H204-G206 PolarHBondContact O-N 3Å; H204-S248 WeakPolarHBondContact CB-OG 3.39Å
205	L	96.9	Very high	98.1	Very high	102 Å²	102	20.2 Å²	20.2	53%	0.534	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	1.1	170.6	-69	170.7	0	0	0	113.8	I201 N202 T203 I207 M252	I201-L205 HydrophobicContact CG2-CD1 4.02Å; I201-L205 HydrophobicContact CG2-CG 4.48Å; I201-L205 PolarHBondContact O-N 3.33Å; N202-L205 CarbonylContact O-C 3.59Å; N202-L205 PolarHBondContact O-N 3.03Å; T203-L205 VanDerWaalsContact C-N 3.33Å; L205-I207 VanDerWaalsContact C-N 3.28Å; L205-I207 HydrophobicContact CB-CD1 4.18Å; L205-I207 HydrophobicContact CB-CG1 4.15Å; L205-I207 HydrophobicContact CD1-CD1 4.41Å; L205-I207 PolarHBondContact O-N 3.05Å; L205-M252 HydrophobicContact CD1-CE 4.16Å; L205-M252 HydrophobicContact CD2-CE 3.47Å; L205-M252 VanDerWaalsContact CD2-CE 3.47Å; L205-M252 HydrophobicContact CG-CE 3.6Å
206	G	97.3	Very high	98.3	Very high	8 Å²	8	18.2 Å²	18.2	8%	0.082	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	23.2	-178.8	0	0	0	0	0	114	E188 N189 K190 N202 T203 H204	E188-G206 CarbonylContact C-O 3.52Å; E188-G206 WeakPolarHBondContact CA-O 3.27Å; N189-G206 PolarHBondContact N-O 3.41Å; K190-G206 VanDerWaalsContact CB-O 3.24Å; K190-G206 WeakPolarHBondContact CB-O 3.48Å; K190-G206 VanDerWaalsContact CG-O 3.31Å; K190-G206 WeakPolarHBondContact CG-O 3.29Å; K190-G206 PolarHBondContact N-O 2.81Å; K190-G206 VanDerWaalsContact O-CA 3.26Å; K190-G206 WeakPolarHBondContact O-CA 3.42Å; N202-G206 PolarHBondContact O-N 3.17Å; T203-G206 PolarHBondContact O-N 3.4Å; H204-G206 PolarHBondContact O-N 3Å
207	I	98.4	Very high	98.4	Very high	19 Å²	19	18.5 Å²	18.5	10%	0.097	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-79.8	142.7	172.2	-57.9	173.2	0	0	0	108.8	Y186 N202 L205 Q209	Y186-I207 HydrophobicContact CD2-CG2 4.21Å; Y186-I207 HydrophobicContact CE2-CG2 3.45Å; Y186-I207 VanDerWaalsContact CE2-CG2 3.45Å; N202-I207 HydrophobicContact CB-CB 4.07Å; N202-I207 HydrophobicContact CB-CD1 4.16Å; N202-I207 HydrophobicContact CB-CG2 4.46Å; N202-I207 WeakPolarHBondContact O-CB 3.25Å; N202-I207 PolarHBondContact O-N 3.32Å; L205-I207 VanDerWaalsContact C-N 3.28Å; L205-I207 HydrophobicContact CB-CD1 4.18Å; L205-I207 HydrophobicContact CB-CG1 4.15Å; L205-I207 HydrophobicContact CD1-CD1 4.41Å; L205-I207 PolarHBondContact O-N 3.05Å; I207-Q209 PolarHBondContact O-N 2.76Å
208	E	98.5	Very high	98.4	Very high	12 Å²	12	14.5 Å²	14.5	6%	0.056	8%	0.075	C	C	.	.	P	Polyproline II helix	trans	-56.2	133.9	172	-174.7	78.5	-88.5	0	0	110.5	K173 I184 R187 K190 F279	K173-E208 IonicContact NZ-OE1 2.8Å; K173-E208 PolarHBondContact NZ-OE1 3.42Å; K173-E208 IonicContact NZ-OE2 2.68Å; K173-E208 PolarHBondContact NZ-OE2 3.19Å; I184-E208 HydrophobicContact CD1-CG 3.82Å; R187-E208 HydrophobicContact CB-CB 4.15Å; R187-E208 WeakPolarHBondContact O-CB 3.38Å; R187-E208 PolarHBondContact O-N 3.22Å; K190-E208 WeakPolarHBondContact CE-OE2 3.24Å; K190-E208 HydrophobicContact CG-CB 4.39Å; K190-E208 IonicContact NZ-OE1 3.74Å; K190-E208 IonicContact NZ-OE2 3.56Å; K190-E208 PolarHBondContact NZ-OE2 3.16Å; E208-F279 HydrophobicContact CB-CE2 4.19Å; E208-F279 HydrophobicContact CB-CZ 4.37Å; E208-F279 HydrophobicContact CG-CE2 4.35Å; E208-F279 HydrophobicContact CG-CZ 4.28Å; E208-F279 VanDerWaalsContact O-CE2 3.25Å; E208-F279 WeakPolarHBondContact O-CE2 3.42Å
209	Q	98.8	Very high	98.5	Very high	12 Å²	12	14.5 Å²	14.5	6%	0.056	8%	0.076	C	C	.	.	P	Polyproline II helix	trans	-77.2	152.1	-177.9	-72.1	177	6	0	0	112.4	I144 R146 T193 T203 I207 D213	I144-Q209 HydrophobicContact CD1-CB 4Å; I144-Q209 WeakPolarHBondContact CD1-O 3.38Å; R146-Q209 VanDerWaalsContact CD-OE1 3.22Å; R146-Q209 HydrophobicContact CG-CB 4.41Å; T193-Q209 PolarHBondContact O-NE2 3.27Å; T203-Q209 VanDerWaalsContact OG1-CG 3.31Å; T203-Q209 WeakPolarHBondContact OG1-CG 3.31Å; T203-Q209 PolarHBondContact OG1-NE2 2.67Å; I207-Q209 PolarHBondContact O-N 2.76Å; Q209-D213 HydrophobicContact CB-CB 4.26Å; Q209-D213 HydrophobicContact CG-CB 4.2Å
210	S	98.8	Very high	98.5	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.007	7%	0.074	C	C	.	.			trans	-145.5	-177.4	-176	63.9	0	0	0	0	110.9	R212 D213 F279	S210-R212 PolarHBondContact O-N 3.45Å; S210-R212 WeakPolarHBondContact OG-CG 3.28Å; S210-R212 PolarHBondContact OG-NE 3.47Å; S210-D213 PolarHBondContact N-OD2 2.67Å; S210-D213 WeakPolarHBondContact O-CB 3.33Å; S210-D213 PolarHBondContact O-N 3.1Å; S210-D213 PolarHBondContact OG-OD2 2.88Å; S210-F279 WeakPolarHBondContact CB-O 3.41Å; S210-F279 PolarHBondContact OG-O 3.25Å
211	R	98.9	Very high	98.5	Very high	15 Å²	15	14.2 Å²	14.2	6%	0.057	7%	0.074	C	C	.	.	H	α-helix	trans	-57.8	-31.7	-177.3	-69.1	167.5	-77.6	-171.9	-2.3	114	H139 I144 Y175 H183 D213 D280 D281 P283	H139-R211 HydrophobicContact CB-CG 4.24Å; H139-R211 PolarHBondContact CE1-O 2.86Å; H139-R211 VanDerWaalsContact CE1-O 3.26Å; I144-R211 HydrophobicContact CG2-CG 4.2Å; Y175-R211 HydrophobicContact CD1-CG 4.48Å; Y175-R211 HydrophobicContact CD2-CG 4.21Å; Y175-R211 HydrophobicContact CE1-CG 4.21Å; Y175-R211 VanDerWaalsContact CE2-CD 3.49Å; Y175-R211 HydrophobicContact CE2-CG 3.93Å; Y175-R211 VanDerWaalsContact CE2-NE 3.33Å; Y175-R211 HydrophobicContact CG-CG 4.49Å; H183-R211 PolarHBondContact CD2-NH2 3.47Å; H183-R211 PolarHBondContact NE2-NH2 3.48Å; R211-D213 VanDerWaalsContact C-N 3.27Å; R211-D213 PolarHBondContact O-N 3.06Å; R211-D280 PolarHBondContact NH2-O 2.98Å; R211-D281 PolarHBondContact NE-O 2.74Å; R211-D281 PolarHBondContact NH2-O 3.1Å; R211-P283 HydrophobicContact CB-CG 3.94Å
212	R	98.8	Very high	98.5	Very high	26 Å²	26	13 Å²	13	10%	0.098	7%	0.067	C	C	.	.	H	α-helix	trans	-67.6	-29.3	177.7	75.3	-163.8	170	159.3	3.5	112.3	N202 S210 L215 E216 L277	N202-R212 PolarHBondContact ND2-NE 3.41Å; N202-R212 PolarHBondContact ND2-NH2 2.99Å; S210-R212 PolarHBondContact O-N 3.45Å; S210-R212 WeakPolarHBondContact OG-CG 3.28Å; S210-R212 PolarHBondContact OG-NE 3.47Å; R212-L215 PolarHBondContact O-N 3.43Å; R212-E216 WeakPolarHBondContact O-CB 3.42Å; R212-E216 PolarHBondContact O-N 2.86Å; R212-L277 HydrophobicContact CB-CB 3.73Å; R212-L277 HydrophobicContact CB-CD1 3.73Å; R212-L277 HydrophobicContact CB-CG 4.4Å; R212-L277 WeakPolarHBondContact CD-O 3.31Å; R212-L277 PolarHBondContact NH1-O 2.67Å
213	D	98.9	Very high	98.6	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-76.9	-35	-172.9	-58.7	-76.6	0	0	0	112.1	S200 N202 Q209 S210 R211 L215 S217	S200-D213 VanDerWaalsContact CB-OD1 3.28Å; S200-D213 WeakPolarHBondContact CB-OD1 3.31Å; S200-D213 PolarHBondContact OG-OD1 3.24Å; N202-D213 WeakPolarHBondContact CB-OD1 3.24Å; N202-D213 PolarHBondContact ND2-OD1 3.22Å; N202-D213 VanDerWaalsContact ND2-OD1 3.08Å; Q209-D213 HydrophobicContact CB-CB 4.26Å; Q209-D213 HydrophobicContact CG-CB 4.2Å; S210-D213 PolarHBondContact N-OD2 2.67Å; S210-D213 WeakPolarHBondContact O-CB 3.33Å; S210-D213 PolarHBondContact O-N 3.1Å; S210-D213 PolarHBondContact OG-OD2 2.88Å; R211-D213 VanDerWaalsContact C-N 3.27Å; R211-D213 PolarHBondContact O-N 3.06Å; D213-L215 VanDerWaalsContact C-N 3.34Å; D213-S217 VanDerWaalsContact O-CB 3.27Å; D213-S217 WeakPolarHBondContact O-CB 3.36Å; D213-S217 PolarHBondContact O-N 3.42Å; D213-S217 PolarHBondContact O-OG 3.41Å
214	D	98.9	Very high	98.6	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.011	6%	0.06	C	C	.	.	H	α-helix	trans	-63.9	-38.3	168.9	-78.3	-28.3	0	0	0	111.4	I135 H139 I144 H145 R146 V148 L218	I135-D214 HydrophobicContact CG2-CB 3.98Å; H139-D214 IonicContact CD2-OD2 3.22Å; H139-D214 IonicContact NE2-OD2 3.8Å; H139-D214 PolarHBondContact NE2-OD2 3.38Å; H139-D214 VanDerWaalsContact NE2-OD2 3.08Å; I144-D214 WeakPolarHBondContact CA-OD2 3.21Å; I144-D214 WeakPolarHBondContact CB-OD2 3.5Å; H145-D214 PolarHBondContact N-OD2 2.79Å; R146-D214 PolarHBondContact N-OD1 3.26Å; V148-D214 HydrophobicContact CG2-CB 3.95Å; D214-L218 PolarHBondContact O-N 2.76Å
215	L	98.9	Very high	98.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-75.6	-42.4	179.3	-64.5	173.2	0	0	0	112.7	I135 R212 D213 S217 L218 G219 Y270 P283 Y285 L288	I135-L215 HydrophobicContact CB-CD2 4.35Å; I135-L215 HydrophobicContact CD1-CD2 4.44Å; I135-L215 HydrophobicContact CG2-CD2 3.74Å; I135-L215 HydrophobicContact CG2-CG 4.25Å; R212-L215 PolarHBondContact O-N 3.43Å; D213-L215 VanDerWaalsContact C-N 3.34Å; L215-S217 PolarHBondContact O-N 3.39Å; L215-L218 WeakPolarHBondContact O-CB 3.47Å; L215-L218 PolarHBondContact O-N 3.35Å; L215-L218 VanDerWaalsContact O-N 3.12Å; L215-G219 PolarHBondContact O-N 3.15Å; L215-Y270 WeakPolarHBondContact O-CE1 3.46Å; L215-Y270 PolarHBondContact O-OH 2.94Å; L215-Y270 VanDerWaalsContact O-OH 3.12Å; L215-P283 HydrophobicContact CD1-CB 3.44Å; L215-P283 VanDerWaalsContact CD1-CB 3.44Å; L215-P283 HydrophobicContact CD1-CG 3.52Å; L215-Y285 HydrophobicContact CD1-CD1 4.18Å; L215-Y285 HydrophobicContact CD1-CE1 3.88Å; L215-Y285 HydrophobicContact CD2-CD1 4.33Å; L215-Y285 HydrophobicContact CD2-CE1 4.36Å; L215-L288 HydrophobicContact CD1-CD1 3.95Å
216	E	98.9	Very high	98.8	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.009	3%	0.033	C	C	.	.	H	α-helix	trans	-58.5	-40.5	171.6	-163.9	-165.2	133.9	0	0	110.4	S200 I201 R212 G219 Y220 L271 C274 R275	S200-E216 WeakPolarHBondContact CA-OE1 3.37Å; S200-E216 WeakPolarHBondContact CB-OE2 3.37Å; I201-E216 PolarHBondContact N-OE1 3.16Å; R212-E216 WeakPolarHBondContact O-CB 3.42Å; R212-E216 PolarHBondContact O-N 2.86Å; E216-G219 PolarHBondContact O-N 3.01Å; E216-G219 VanDerWaalsContact O-N 3.15Å; E216-Y220 HydrophobicContact CG-CD2 4.47Å; E216-Y220 HydrophobicContact CG-CE2 3.68Å; E216-Y220 WeakPolarHBondContact O-CD2 3.23Å; E216-Y220 PolarHBondContact O-N 2.98Å; E216-Y220 VanDerWaalsContact O-N 3.13Å; E216-Y220 WeakPolarHBondContact OE1-CE2 3.39Å; E216-Y220 VanDerWaalsContact OE1-CZ 3.26Å; E216-Y220 PolarHBondContact OE1-OH 3.37Å; E216-L271 HydrophobicContact CG-CD2 4.39Å; E216-C274 HydrophobicContact CB-CB 4.13Å; E216-R275 HydrophobicContact CG-CG 4.26Å; E216-R275 IonicContact OE1-NE 2.67Å
217	S	98.9	Very high	98.8	Very high	10 Å²	10	8.8 Å²	8.8	7%	0.07	4%	0.044	C	C	.	.	H	α-helix	trans	-61.8	-42.9	174.6	-58.5	0	0	0	0	112.3	Y198 D213 L215 G219 Y220 V221	Y198-S217 WeakPolarHBondContact O-CA 3.47Å; Y198-S217 PolarHBondContact O-OG 2.93Å; D213-S217 VanDerWaalsContact O-CB 3.27Å; D213-S217 WeakPolarHBondContact O-CB 3.36Å; D213-S217 PolarHBondContact O-N 3.42Å; D213-S217 PolarHBondContact O-OG 3.41Å; L215-S217 PolarHBondContact O-N 3.39Å; S217-G219 VanDerWaalsContact C-N 3.32Å; S217-G219 PolarHBondContact O-N 3.45Å; S217-Y220 PolarHBondContact O-N 3.41Å; S217-V221 WeakPolarHBondContact O-CG2 3.45Å; S217-V221 PolarHBondContact O-N 3.49Å
218	L	98.9	Very high	98.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-60.7	-39.8	172.1	178.4	57.8	0	0	0	111.9	M131 I132 I135 V148 D214 L215 Y220 V221 L222	M131-L218 HydrophobicContact CB-CD1 3.77Å; M131-L218 HydrophobicContact CB-CD2 3.87Å; M131-L218 HydrophobicContact CE-CD1 3.54Å; M131-L218 HydrophobicContact CG-CD1 4.39Å; M131-L218 HydrophobicContact SD-CD1 3.91Å; I132-L218 HydrophobicContact CB-CD2 4.48Å; I132-L218 HydrophobicContact CG1-CD2 3.66Å; I135-L218 HydrophobicContact CD1-CB 3.93Å; I135-L218 HydrophobicContact CD1-CD2 3.87Å; I135-L218 HydrophobicContact CD1-CG 4.43Å; V148-L218 HydrophobicContact CG1-CB 4.06Å; D214-L218 PolarHBondContact O-N 2.76Å; L215-L218 WeakPolarHBondContact O-CB 3.47Å; L215-L218 PolarHBondContact O-N 3.35Å; L215-L218 VanDerWaalsContact O-N 3.12Å; L218-Y220 VanDerWaalsContact C-N 3.32Å; L218-Y220 PolarHBondContact O-N 3.36Å; L218-V221 HydrophobicContact CD1-CB 4.43Å; L218-V221 CarbonylContact O-C 3.54Å; L218-V221 WeakPolarHBondContact O-CA 3.44Å; L218-V221 WeakPolarHBondContact O-CB 3.08Å; L218-V221 PolarHBondContact O-N 3.34Å; L218-L222 HydrophobicContact CD1-CD2 4.38Å; L218-L222 HydrophobicContact CD1-CG 4.17Å; L218-L222 HydrophobicContact CG-CD1 4.37Å; L218-L222 HydrophobicContact CG-CG 4.37Å; L218-L222 WeakPolarHBondContact O-CG 3.26Å; L218-L222 PolarHBondContact O-N 3.21Å
219	G	98.9	Very high	98.8	Very high	2 Å²	2	11 Å²	11	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-58.2	-42.2	175.9	0	0	0	0	0	112.9	L215 E216 S217 V221 L222 M223	L215-G219 PolarHBondContact O-N 3.15Å; E216-G219 PolarHBondContact O-N 3.01Å; E216-G219 VanDerWaalsContact O-N 3.15Å; S217-G219 VanDerWaalsContact C-N 3.32Å; S217-G219 PolarHBondContact O-N 3.45Å; G219-V221 VanDerWaalsContact C-N 3.35Å; G219-L222 PolarHBondContact O-N 2.97Å; G219-M223 PolarHBondContact O-N 3.03Å
220	Y	98.9	Very high	98.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-68.5	-30.9	172.6	-59.7	-56.9	0	0	0	113.2	Y198 E216 S217 L218 Y224 W232 K251 L259 L271 R275	Y198-Y220 WeakPolarHBondContact O-CD2 3.25Å; E216-Y220 HydrophobicContact CG-CD2 4.47Å; E216-Y220 HydrophobicContact CG-CE2 3.68Å; E216-Y220 WeakPolarHBondContact O-CD2 3.23Å; E216-Y220 PolarHBondContact O-N 2.98Å; E216-Y220 VanDerWaalsContact O-N 3.13Å; E216-Y220 WeakPolarHBondContact OE1-CE2 3.39Å; E216-Y220 VanDerWaalsContact OE1-CZ 3.26Å; E216-Y220 PolarHBondContact OE1-OH 3.37Å; S217-Y220 PolarHBondContact O-N 3.41Å; L218-Y220 VanDerWaalsContact C-N 3.32Å; L218-Y220 PolarHBondContact O-N 3.36Å; Y220-Y224 VanDerWaalsContact O-CB 3.25Å; Y220-Y224 WeakPolarHBondContact O-CB 3.43Å; Y220-Y224 PolarHBondContact O-N 2.92Å; Y220-W232 AromaticContact CD1-CH2 3.52Å; Y220-W232 HydrophobicContact CD1-CH2 3.52Å; Y220-W232 AromaticContact CD1-CZ2 3.55Å; Y220-W232 HydrophobicContact CD1-CZ2 3.55Å; Y220-W232 AromaticContact CE1-CH2 3.65Å; Y220-W232 HydrophobicContact CE1-CH2 3.65Å; Y220-W232 AromaticContact CE1-CZ2 3.99Å; Y220-W232 HydrophobicContact CE1-CZ2 3.99Å; Y220-W232 HydrophobicContact CG-CH2 4.45Å; Y220-W232 HydrophobicContact CG-CZ2 4.05Å; Y220-K251 VanDerWaalsContact CD2-NZ 3.35Å; Y220-L259 HydrophobicContact CD1-CD2 4.04Å; Y220-L259 HydrophobicContact CE1-CD2 4.06Å; Y220-L271 HydrophobicContact CD1-CD2 4.29Å; Y220-L271 HydrophobicContact CE1-CD2 4.16Å; Y220-R275 PolarHBondContact OH-NH2 3.16Å
221	V	98.9	Very high	98.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-68.1	-42.5	174	168.1	0	0	0	0	111.6	M131 P150 Y198 S217 L218 G219 Y224 F225	M131-V221 HydrophobicContact CE-CG1 3.84Å; P150-V221 HydrophobicContact CG-CG1 4.02Å; P150-V221 HydrophobicContact CG-CG2 4.49Å; Y198-V221 HydrophobicContact CD1-CG2 3.56Å; Y198-V221 HydrophobicContact CD2-CG2 4.45Å; Y198-V221 HydrophobicContact CE1-CG2 3.95Å; Y198-V221 HydrophobicContact CG-CG2 3.84Å; S217-V221 WeakPolarHBondContact O-CG2 3.45Å; S217-V221 PolarHBondContact O-N 3.49Å; L218-V221 HydrophobicContact CD1-CB 4.43Å; L218-V221 CarbonylContact O-C 3.54Å; L218-V221 WeakPolarHBondContact O-CA 3.44Å; L218-V221 WeakPolarHBondContact O-CB 3.08Å; L218-V221 PolarHBondContact O-N 3.34Å; G219-V221 VanDerWaalsContact C-N 3.35Å; V221-Y224 WeakPolarHBondContact O-CB 3.32Å; V221-Y224 PolarHBondContact O-N 3Å; V221-F225 HydrophobicContact CG1-CD2 4.13Å; V221-F225 HydrophobicContact CG1-CE2 3.49Å; V221-F225 VanDerWaalsContact CG1-CE2 3.49Å; V221-F225 HydrophobicContact CG1-CZ 3.87Å; V221-F225 WeakPolarHBondContact O-CD2 3.41Å; V221-F225 PolarHBondContact O-N 3.48Å; V221-F225 VanDerWaalsContact O-N 3.08Å
222	L	98.9	Very high	98.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64	-43.3	174.6	-63.6	177.6	0	0	0	111.3	V124 A128 M131 L218 G219 Y224 F225 N226 F267 F292	V124-L222 HydrophobicContact CG1-CB 4.42Å; V124-L222 HydrophobicContact CG1-CD2 4.04Å; A128-L222 HydrophobicContact CB-CD1 3.74Å; A128-L222 HydrophobicContact CB-CD2 3.8Å; A128-L222 HydrophobicContact CB-CG 4.45Å; M131-L222 HydrophobicContact SD-CD2 4.44Å; L218-L222 HydrophobicContact CD1-CD2 4.38Å; L218-L222 HydrophobicContact CD1-CG 4.17Å; L218-L222 HydrophobicContact CG-CD1 4.37Å; L218-L222 HydrophobicContact CG-CG 4.37Å; L218-L222 WeakPolarHBondContact O-CG 3.26Å; L218-L222 PolarHBondContact O-N 3.21Å; G219-L222 PolarHBondContact O-N 2.97Å; L222-Y224 VanDerWaalsContact C-N 3.31Å; L222-Y224 PolarHBondContact O-N 3.06Å; L222-F225 PolarHBondContact O-N 3.11Å; L222-N226 PolarHBondContact O-N 3.2Å; L222-F267 HydrophobicContact CB-CD1 4.29Å; L222-F267 HydrophobicContact CB-CE1 4.1Å; L222-F292 HydrophobicContact CD1-CE2 3.83Å; L222-F292 HydrophobicContact CD1-CZ 3.85Å
223	M	98.9	Very high	98.6	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-66.5	-30.5	174.4	-74.4	-51.7	-51.9	0	0	113.5	G219 N226 L227 L230 L259 C260 Y263 F267 L271	G219-M223 PolarHBondContact O-N 3.03Å; M223-N226 HydrophobicContact CE-CB 4.21Å; M223-N226 PolarHBondContact O-N 3.07Å; M223-N226 HydrophobicContact SD-CB 4.44Å; M223-N226 PolarHBondContact SD-ND2 2.96Å; M223-L227 HydrophobicContact CB-CD1 4.48Å; M223-L227 HydrophobicContact CE-CD1 3.8Å; M223-L227 HydrophobicContact CE-CG 3.96Å; M223-L227 VanDerWaalsContact O-CB 3.28Å; M223-L227 WeakPolarHBondContact O-CB 3.47Å; M223-L227 WeakPolarHBondContact O-CD1 3.2Å; M223-L227 VanDerWaalsContact O-CG 3.29Å; M223-L227 WeakPolarHBondContact O-CG 3.42Å; M223-L227 PolarHBondContact O-N 3.35Å; M223-L230 HydrophobicContact CB-CD2 4.22Å; M223-L259 WeakPolarHBondContact CE-O 3.41Å; M223-C260 HydrophobicContact CE-CB 4.38Å; M223-C260 HydrophobicContact SD-CB 4.37Å; M223-Y263 HydrophobicContact CE-CD2 4.01Å; M223-Y263 HydrophobicContact CE-CE2 4.49Å; M223-Y263 HydrophobicContact CE-CG 4.26Å; M223-F267 HydrophobicContact SD-CB 3.67Å; M223-F267 HydrophobicContact SD-CD1 4.16Å; M223-F267 HydrophobicContact SD-CG 3.92Å; M223-L271 HydrophobicContact CG-CD1 4.12Å
224	Y	98.9	Very high	98.3	Very high	2 Å²	2	18 Å²	18	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-43.1	172.2	168	-101	0	0	0	112.5	E109 F112 R117 P150 R197 Y198 Y220 V221 L222 L227 G228 L230	E109-Y224 PolarHBondContact OE1-OH 3.06Å; E109-Y224 WeakPolarHBondContact OE2-CE1 3.35Å; E109-Y224 VanDerWaalsContact OE2-CZ 3.3Å; E109-Y224 PolarHBondContact OE2-OH 2.96Å; F112-Y224 HydrophobicContact CD1-CE1 4.01Å; F112-Y224 HydrophobicContact CE1-CD1 4.42Å; F112-Y224 AromaticContact CE1-CE1 3.98Å; F112-Y224 HydrophobicContact CE1-CE1 3.98Å; R117-Y224 VanDerWaalsContact NH2-CZ 3.29Å; R117-Y224 PolarHBondContact NH2-OH 3.12Å; P150-Y224 HydrophobicContact CG-CD1 3.94Å; P150-Y224 HydrophobicContact CG-CE1 3.79Å; R197-Y224 PolarHBondContact NH1-OH 3.34Å; Y198-Y224 HydrophobicContact CE1-CD1 4.34Å; Y198-Y224 HydrophobicContact CE1-CD2 4.38Å; Y198-Y224 HydrophobicContact CE1-CG 4.06Å; Y220-Y224 VanDerWaalsContact O-CB 3.25Å; Y220-Y224 WeakPolarHBondContact O-CB 3.43Å; Y220-Y224 PolarHBondContact O-N 2.92Å; V221-Y224 WeakPolarHBondContact O-CB 3.32Å; V221-Y224 PolarHBondContact O-N 3Å; L222-Y224 VanDerWaalsContact C-N 3.31Å; L222-Y224 PolarHBondContact O-N 3.06Å; Y224-L227 PolarHBondContact O-N 3.45Å; Y224-G228 PolarHBondContact O-N 3.15Å; Y224-L230 HydrophobicContact CD2-CD1 4.43Å; Y224-L230 HydrophobicContact CD2-CG 4.3Å
225	F	98.9	Very high	98	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-65.2	-39.7	174.5	-64.8	-43.6	0	0	0	112.5	L108 F112 F119 V124 M131 P150 V221 L222	L108-F225 HydrophobicContact CB-CE1 4.25Å; L108-F225 HydrophobicContact CB-CZ 3.69Å; L108-F225 HydrophobicContact CD1-CE2 4.19Å; L108-F225 HydrophobicContact CD1-CZ 4.02Å; F112-F225 HydrophobicContact CB-CD1 4.42Å; F112-F225 HydrophobicContact CB-CE1 4.34Å; F112-F225 HydrophobicContact CD1-CD1 4.28Å; F112-F225 AromaticContact CD2-CD1 3.89Å; F112-F225 HydrophobicContact CD2-CD1 3.89Å; F112-F225 HydrophobicContact CE1-CD1 4.44Å; F112-F225 HydrophobicContact CE2-CB 4.27Å; F112-F225 HydrophobicContact CE2-CD1 4.07Å; F112-F225 WeakPolarHBondContact CE2-O 3.19Å; F112-F225 AromaticContact CG-CD1 3.98Å; F112-F225 HydrophobicContact CG-CD1 3.98Å; F112-F225 HydrophobicContact CG-CE1 4.35Å; F112-F225 HydrophobicContact CZ-CD1 4.33Å; F112-F225 WeakPolarHBondContact CZ-O 3.4Å; F119-F225 HydrophobicContact CD2-CB 3.94Å; F119-F225 AromaticContact CD2-CD1 3.84Å; F119-F225 HydrophobicContact CD2-CD1 3.84Å; F119-F225 HydrophobicContact CD2-CD2 4.45Å; F119-F225 HydrophobicContact CD2-CE1 4.46Å; F119-F225 AromaticContact CD2-CG 3.85Å; F119-F225 HydrophobicContact CD2-CG 3.85Å; F119-F225 AromaticContact CE2-CD1 3.69Å; F119-F225 HydrophobicContact CE2-CD1 3.69Å; F119-F225 AromaticContact CE2-CE1 3.87Å; F119-F225 HydrophobicContact CE2-CE1 3.87Å; F119-F225 HydrophobicContact CE2-CG 4.07Å; F119-F225 HydrophobicContact CE2-CZ 4.38Å; V124-F225 HydrophobicContact CG2-CB 3.92Å; M131-F225 HydrophobicContact CE-CE2 4.33Å; P150-F225 HydrophobicContact CB-CE1 3.91Å; P150-F225 HydrophobicContact CB-CZ 3.77Å; P150-F225 HydrophobicContact CG-CE1 3.98Å; P150-F225 HydrophobicContact CG-CZ 3.91Å; V221-F225 HydrophobicContact CG1-CD2 4.13Å; V221-F225 HydrophobicContact CG1-CE2 3.49Å; V221-F225 VanDerWaalsContact CG1-CE2 3.49Å; V221-F225 HydrophobicContact CG1-CZ 3.87Å; V221-F225 WeakPolarHBondContact O-CD2 3.41Å; V221-F225 PolarHBondContact O-N 3.48Å; V221-F225 VanDerWaalsContact O-N 3.08Å; L222-F225 PolarHBondContact O-N 3.11Å
226	N	98.8	Very high	97.7	Very high	19 Å²	19	29.3 Å²	29.3	10%	0.102	18%	0.176	C	C	.	.	H	α-helix	trans	-60.3	-45.5	174.2	-84	-15.7	0	0	0	112.5	L222 M223 Y263 F267	L222-N226 PolarHBondContact O-N 3.2Å; M223-N226 HydrophobicContact CE-CB 4.21Å; M223-N226 PolarHBondContact O-N 3.07Å; M223-N226 HydrophobicContact SD-CB 4.44Å; M223-N226 PolarHBondContact SD-ND2 2.96Å; N226-Y263 HydrophobicContact CB-CD1 3.69Å; N226-Y263 HydrophobicContact CB-CE1 3.44Å; N226-Y263 VanDerWaalsContact CB-CE1 3.44Å; N226-Y263 HydrophobicContact CB-CG 4.4Å; N226-Y263 WeakPolarHBondContact O-CE1 3.49Å; N226-Y263 PolarHBondContact O-OH 3.22Å; N226-F267 WeakPolarHBondContact ND2-CE1 3.47Å; N226-F267 WeakPolarHBondContact ND2-CE2 3.21Å; N226-F267 VanDerWaalsContact ND2-CZ 3.31Å; N226-F267 WeakPolarHBondContact ND2-CZ 3.4Å
227	L	98.6	Very high	97.4	Very high	60 Å²	60	31 Å²	31	31%	0.314	19%	0.19	S	C	.	.	H	α-helix	trans	-94.8	-15.9	-169.8	-69	165.1	0	0	0	115.2	M223 Y224 S229 L230 L259 Y263	M223-L227 HydrophobicContact CB-CD1 4.48Å; M223-L227 HydrophobicContact CE-CD1 3.8Å; M223-L227 HydrophobicContact CE-CG 3.96Å; M223-L227 VanDerWaalsContact O-CB 3.28Å; M223-L227 WeakPolarHBondContact O-CB 3.47Å; M223-L227 WeakPolarHBondContact O-CD1 3.2Å; M223-L227 VanDerWaalsContact O-CG 3.29Å; M223-L227 WeakPolarHBondContact O-CG 3.42Å; M223-L227 PolarHBondContact O-N 3.35Å; Y224-L227 PolarHBondContact O-N 3.45Å; L227-S229 WeakPolarHBondContact CB-O 3.21Å; L227-S229 PolarHBondContact O-N 3.06Å; L227-L230 HydrophobicContact CD1-CD2 4.49Å; L227-L259 HydrophobicContact CD1-CD1 4.07Å; L227-Y263 HydrophobicContact CD2-CD2 4.44Å; L227-Y263 HydrophobicContact CD2-CE2 3.52Å; L227-Y263 HydrophobicContact CG-CE2 4.21Å
228	G	98.1	Very high	97.2	Very high	15 Å²	15	35 Å²	35	16%	0.155	22%	0.224	C	C	.	.	S	Bend	trans	77.5	-27.4	-169.1	0	0	0	0	0	114.4	R117 Y224	R117-G228 PolarHBondContact NH2-O 3.08Å; Y224-G228 PolarHBondContact O-N 3.15Å
229	S	98.1	Very high	96.9	Very high	63 Å²	63	38.4 Å²	38.4	44%	0.441	25%	0.245	S	C	.	.	S	Bend	trans	-159.5	153.7	172.3	65.2	0	0	0	0	111.9	L227	L227-S229 WeakPolarHBondContact CB-O 3.21Å; L227-S229 PolarHBondContact O-N 3.06Å
230	L	98.6	Very high	96.4	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	27%	0.271	C	S	.	.			trans	-92.1	149.6	176.9	-69.1	163.2	0	0	0	112.1	R197 Y198 M223 Y224 L227 W232 Q233 L259	R197-L230 HydrophobicContact CG-CD1 4.16Å; Y198-L230 HydrophobicContact CD1-CD1 4.09Å; Y198-L230 HydrophobicContact CE1-CD1 4.05Å; M223-L230 HydrophobicContact CB-CD2 4.22Å; Y224-L230 HydrophobicContact CD2-CD1 4.43Å; Y224-L230 HydrophobicContact CD2-CG 4.3Å; L227-L230 HydrophobicContact CD1-CD2 4.49Å; L230-W232 HydrophobicContact CB-CD2 4.19Å; L230-W232 HydrophobicContact CB-CZ2 3.94Å; L230-W232 HydrophobicContact CD1-CZ2 3.81Å; L230-W232 HydrophobicContact CD2-CH2 4.15Å; L230-W232 HydrophobicContact CD2-CZ2 3.82Å; L230-W232 HydrophobicContact CG-CZ2 4.07Å; L230-W232 PolarHBondContact O-N 3.4Å; L230-Q233 HydrophobicContact CB-CG 4.47Å; L230-Q233 WeakPolarHBondContact O-CB 3.46Å; L230-Q233 PolarHBondContact O-N 2.8Å; L230-L259 HydrophobicContact CD2-CD1 4.17Å
231	P	98.3	Very high	96	Very high	57 Å²	57	53.3 Å²	53.3	37%	0.37	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-7	-175.2	-26	35.6	0	0	0	117.3	L259	P231-L259 HydrophobicContact CG-CD1 3.84Å
232	W	98.3	Very high	95.8	Very high	5 Å²	5	56.9 Å²	56.9	2%	0.019	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	12.7	176.8	48.8	83.2	0	0	0	113.1	R197 Y220 L230 L235 I247 K250 K251 L259	R197-W232 PolarHBondContact O-NE1 3.23Å; Y220-W232 AromaticContact CD1-CH2 3.52Å; Y220-W232 HydrophobicContact CD1-CH2 3.52Å; Y220-W232 AromaticContact CD1-CZ2 3.55Å; Y220-W232 HydrophobicContact CD1-CZ2 3.55Å; Y220-W232 AromaticContact CE1-CH2 3.65Å; Y220-W232 HydrophobicContact CE1-CH2 3.65Å; Y220-W232 AromaticContact CE1-CZ2 3.99Å; Y220-W232 HydrophobicContact CE1-CZ2 3.99Å; Y220-W232 HydrophobicContact CG-CH2 4.45Å; Y220-W232 HydrophobicContact CG-CZ2 4.05Å; L230-W232 HydrophobicContact CB-CD2 4.19Å; L230-W232 HydrophobicContact CB-CZ2 3.94Å; L230-W232 HydrophobicContact CD1-CZ2 3.81Å; L230-W232 HydrophobicContact CD2-CH2 4.15Å; L230-W232 HydrophobicContact CD2-CZ2 3.82Å; L230-W232 HydrophobicContact CG-CZ2 4.07Å; L230-W232 PolarHBondContact O-N 3.4Å; W232-L235 HydrophobicContact CB-CD1 4.09Å; W232-I247 HydrophobicContact CB-CG1 4.39Å; W232-I247 HydrophobicContact CB-CG2 4.24Å; W232-I247 HydrophobicContact CG-CG2 4.14Å; W232-K250 HydrophobicContact CB-CB 4.02Å; W232-K250 HydrophobicContact CB-CG 3.93Å; W232-K251 HydrophobicContact CD2-CG 3.69Å; W232-K251 VanDerWaalsContact CE2-CE 3.44Å; W232-K251 HydrophobicContact CE3-CG 3.75Å; W232-K251 HydrophobicContact CG-CG 4.24Å; W232-K251 HydrophobicContact CH2-CG 4.15Å; W232-K251 HydrophobicContact CZ2-CD 4.38Å; W232-K251 HydrophobicContact CZ2-CG 4.09Å; W232-K251 HydrophobicContact CZ3-CG 3.99Å; W232-L259 HydrophobicContact CH2-CD1 3.97Å; W232-L259 HydrophobicContact CH2-CD2 3.86Å; W232-L259 HydrophobicContact CZ3-CD1 4.06Å; W232-L259 HydrophobicContact CZ3-CD2 4.37Å
233	Q	96.3	Very high	95.5	Very high	59 Å²	59	61.4 Å²	61.4	28%	0.276	34%	0.34	S	S	.	.	S	Bend	trans	-79.3	162.8	166.7	-72.8	-179.2	-123	0	0	111.4	R197 L230 L235	R197-Q233 HydrophobicContact CG-CG 4.1Å; L230-Q233 HydrophobicContact CB-CG 4.47Å; L230-Q233 WeakPolarHBondContact O-CB 3.46Å; L230-Q233 PolarHBondContact O-N 2.8Å; Q233-L235 PolarHBondContact O-N 3.24Å
234	G	93.3	Very high	95.2	Very high	77 Å²	77	64.6 Å²	64.6	79%	0.794	35%	0.353	S	S	*	.	S	Bend	trans	73	-10.7	177.8	0	0	0	0	0	116.1	K236	G234-K236 PolarHBondContact O-N 3.21Å; G234-K236 VanDerWaalsContact O-N 3.15Å
235	L	92.8	Very high	95	Very high	53 Å²	53	67.7 Å²	67.7	28%	0.277	37%	0.367	S	S	.	.			trans	-56.7	117.5	-178.9	-58.6	-179	0	0	0	111.9	W232 Q233 R246 I247 K250	W232-L235 HydrophobicContact CB-CD1 4.09Å; Q233-L235 PolarHBondContact O-N 3.24Å; L235-R246 HydrophobicContact CD1-CB 4.24Å; L235-R246 WeakPolarHBondContact CD1-O 3.39Å; L235-I247 HydrophobicContact CD1-CG1 4.13Å; L235-K250 HydrophobicContact CD1-CB 4.15Å
236	K	92	Very high	94.9	Very high	185 Å²	185	73.4 Å²	73.4	80%	0.804	39%	0.389	S	S	*	.			trans	-77.1	145.7	173.7	-63.5	-178.4	-179.8	179.6	0	110.2	G234 R246	G234-K236 PolarHBondContact O-N 3.21Å; G234-K236 VanDerWaalsContact O-N 3.15Å; K236-R246 WeakPolarHBondContact O-CD 3.44Å; K236-R246 PolarHBondContact O-NH1 3.14Å
237	A	92.6	Very high	94.9	Very high	38 Å²	38	73.1 Å²	73.1	31%	0.314	39%	0.387	S	S	.	.			trans	-159.4	157.4	173.9	0	0	0	0	0	109	Q242 K243	A237-Q242 HydrophobicContact CB-CB 3.82Å; A237-K243 HydrophobicContact CB-CB 3.83Å; A237-K243 HydrophobicContact CB-CG 4.4Å
238	A	93.7	Very high	94.8	Very high	94 Å²	94	71 Å²	71	78%	0.777	38%	0.378	S	S	*	.	S	Bend	trans	-80.6	-33.7	177.2	0	0	0	0	0	112	Q242	A238-Q242 VanDerWaalsContact N-OE1 3.1Å
239	T	94.1	Very high	94.8	Very high	71 Å²	71	75.8 Å²	75.8	44%	0.436	40%	0.396	S	S	.	.	S	Bend	trans	-119.6	158	178.7	76.4	0	0	0	0	112.9	R241 Q242 K243	T239-R241 PolarHBondContact O-N 3.36Å; T239-Q242 PolarHBondContact O-N 3.03Å; T239-Q242 WeakPolarHBondContact OG1-CG 3.47Å; T239-Q242 PolarHBondContact OG1-N 3.28Å; T239-Q242 VanDerWaalsContact OG1-N 3.12Å; T239-K243 PolarHBondContact O-N 3.2Å
240	K	88.1	Confident	94.8	Very high	134 Å²	134	76.6 Å²	76.6	58%	0.583	39%	0.391	S	S	*	.	H	α-helix	trans	-57.5	-37.1	173.3	-174.6	176.4	-180	178	0	112	K243 Y244	K240-K243 WeakPolarHBondContact O-CB 3.34Å; K240-K243 PolarHBondContact O-N 3.31Å; K240-Y244 WeakPolarHBondContact CE-OH 3.23Å; K240-Y244 HydrophobicContact CG-CE1 4.34Å; K240-Y244 HydrophobicContact CG-CE2 4.04Å; K240-Y244 PolarHBondContact O-N 3.38Å; K240-Y244 VanDerWaalsContact O-N 3.16Å
241	R	90.3	Very high	94.8	Very high	181 Å²	181	76.4 Å²	76.4	68%	0.683	39%	0.391	S	S	*	.	H	α-helix	trans	-63.3	-54.4	175.7	176.8	175	168.2	155.3	6.5	111.5	T239 K243 Y244 E245	T239-R241 PolarHBondContact O-N 3.36Å; R241-K243 PolarHBondContact O-N 3.37Å; R241-Y244 WeakPolarHBondContact O-CA 3.44Å; R241-Y244 PolarHBondContact O-N 3.22Å; R241-E245 HydrophobicContact CG-CG 4.47Å; R241-E245 WeakPolarHBondContact CG-OE1 3.35Å; R241-E245 IonicContact CZ-OE1 3.35Å; R241-E245 IonicContact NE-OE1 2.73Å; R241-E245 PolarHBondContact NE-OE1 3.16Å; R241-E245 IonicContact NE-OE2 3.97Å; R241-E245 IonicContact NH2-OE1 3.04Å; R241-E245 PolarHBondContact NH2-OE1 2.8Å; R241-E245 PolarHBondContact O-N 3.36Å
242	Q	93.8	Very high	94.7	Very high	75 Å²	75	77.7 Å²	77.7	35%	0.35	39%	0.392	S	S	.	.	H	α-helix	trans	-57.5	-32.3	175.1	-72.8	171.5	-6	0	0	112.9	A237 A238 T239 E245 R246	A237-Q242 HydrophobicContact CB-CB 3.82Å; A238-Q242 VanDerWaalsContact N-OE1 3.1Å; T239-Q242 PolarHBondContact O-N 3.03Å; T239-Q242 WeakPolarHBondContact OG1-CG 3.47Å; T239-Q242 PolarHBondContact OG1-N 3.28Å; T239-Q242 VanDerWaalsContact OG1-N 3.12Å; Q242-E245 VanDerWaalsContact CA-OE2 3.25Å; Q242-E245 WeakPolarHBondContact CA-OE2 3.45Å; Q242-E245 PolarHBondContact N-OE2 3.1Å; Q242-R246 WeakPolarHBondContact O-CB 3.4Å; Q242-R246 VanDerWaalsContact O-CG 3.28Å; Q242-R246 WeakPolarHBondContact O-CG 3.44Å; Q242-R246 PolarHBondContact O-N 2.89Å
243	K	93.7	Very high	94.7	Very high	96 Å²	96	81.2 Å²	81.2	42%	0.417	42%	0.418	S	S	.	.	H	α-helix	trans	-67.5	-36.4	175.1	-162	173.5	-175.2	174.5	0	112.1	A237 T239 K240 R241 I247	A237-K243 HydrophobicContact CB-CB 3.83Å; A237-K243 HydrophobicContact CB-CG 4.4Å; T239-K243 PolarHBondContact O-N 3.2Å; K240-K243 WeakPolarHBondContact O-CB 3.34Å; K240-K243 PolarHBondContact O-N 3.31Å; R241-K243 PolarHBondContact O-N 3.37Å; K243-I247 HydrophobicContact CG-CD1 4.41Å; K243-I247 WeakPolarHBondContact O-CD1 3.47Å; K243-I247 WeakPolarHBondContact O-CG1 3.31Å; K243-I247 PolarHBondContact O-N 3.13Å
244	Y	92.7	Very high	94.8	Very high	68 Å²	68	78.7 Å²	78.7	27%	0.267	41%	0.407	S	S	.	.	H	α-helix	trans	-75.4	-41.9	176.2	-64.5	-12.9	0	0	0	111.4	L192 A196 K240 R241 R246 I247 S248	L192-Y244 HydrophobicContact CB-CD2 4.44Å; L192-Y244 HydrophobicContact CD1-CD2 4.15Å; L192-Y244 HydrophobicContact CD1-CG 4.28Å; L192-Y244 HydrophobicContact CD2-CD2 4.21Å; L192-Y244 HydrophobicContact CD2-CE2 3.87Å; L192-Y244 HydrophobicContact CG-CD2 4.5Å; A196-Y244 HydrophobicContact CB-CD1 3.46Å; A196-Y244 VanDerWaalsContact CB-CD1 3.46Å; A196-Y244 HydrophobicContact CB-CE1 3.37Å; A196-Y244 HydrophobicContact CB-CG 4.16Å; K240-Y244 WeakPolarHBondContact CE-OH 3.23Å; K240-Y244 HydrophobicContact CG-CE1 4.34Å; K240-Y244 HydrophobicContact CG-CE2 4.04Å; K240-Y244 PolarHBondContact O-N 3.38Å; K240-Y244 VanDerWaalsContact O-N 3.16Å; R241-Y244 WeakPolarHBondContact O-CA 3.44Å; R241-Y244 PolarHBondContact O-N 3.22Å; Y244-R246 PolarHBondContact O-N 3.15Å; Y244-I247 PolarHBondContact O-N 2.94Å; Y244-I247 VanDerWaalsContact O-N 3.12Å; Y244-S248 WeakPolarHBondContact O-CB 3.4Å; Y244-S248 PolarHBondContact O-N 2.94Å
245	E	94.3	Very high	95.1	Very high	67 Å²	67	78.2 Å²	78.2	31%	0.313	39%	0.389	S	S	.	.	H	α-helix	trans	-54.9	-50.5	172.9	-69.9	161.1	159.3	0	0	110.7	R241 Q242 I247 S248 E249	R241-E245 HydrophobicContact CG-CG 4.47Å; R241-E245 WeakPolarHBondContact CG-OE1 3.35Å; R241-E245 IonicContact CZ-OE1 3.35Å; R241-E245 IonicContact NE-OE1 2.73Å; R241-E245 PolarHBondContact NE-OE1 3.16Å; R241-E245 IonicContact NE-OE2 3.97Å; R241-E245 IonicContact NH2-OE1 3.04Å; R241-E245 PolarHBondContact NH2-OE1 2.8Å; R241-E245 PolarHBondContact O-N 3.36Å; Q242-E245 VanDerWaalsContact CA-OE2 3.25Å; Q242-E245 WeakPolarHBondContact CA-OE2 3.45Å; Q242-E245 PolarHBondContact N-OE2 3.1Å; E245-I247 VanDerWaalsContact C-N 3.34Å; E245-I247 PolarHBondContact O-N 3.36Å; E245-S248 VanDerWaalsContact O-CB 3.29Å; E245-S248 WeakPolarHBondContact O-CB 3.37Å; E245-S248 PolarHBondContact O-N 3.02Å; E245-S248 VanDerWaalsContact O-N 3.11Å; E245-E249 VanDerWaalsContact O-CG 3.29Å; E245-E249 WeakPolarHBondContact O-CG 3.15Å; E245-E249 PolarHBondContact O-N 3.21Å
246	R	97.1	Very high	95.3	Very high	120 Å²	120	75.8 Å²	75.8	45%	0.453	38%	0.377	S	S	.	.	H	α-helix	trans	-63.2	-31.4	175.5	-71	174	-178.8	-156.1	-9	114.8	L235 K236 Q242 Y244 K250	L235-R246 HydrophobicContact CD1-CB 4.24Å; L235-R246 WeakPolarHBondContact CD1-O 3.39Å; K236-R246 WeakPolarHBondContact O-CD 3.44Å; K236-R246 PolarHBondContact O-NH1 3.14Å; Q242-R246 WeakPolarHBondContact O-CB 3.4Å; Q242-R246 VanDerWaalsContact O-CG 3.28Å; Q242-R246 WeakPolarHBondContact O-CG 3.44Å; Q242-R246 PolarHBondContact O-N 2.89Å; Y244-R246 PolarHBondContact O-N 3.15Å; R246-K250 VanDerWaalsContact O-CB 3.29Å; R246-K250 WeakPolarHBondContact O-CB 3.44Å; R246-K250 PolarHBondContact O-N 2.95Å; R246-K250 VanDerWaalsContact O-N 3.15Å
247	I	97.7	Very high	95.6	Very high	14 Å²	14	72 Å²	72	7%	0.072	36%	0.362	C	S	.	.	H	α-helix	trans	-71.8	-41.2	173.5	-72.1	165.7	0	0	0	110.3	W232 L235 K243 Y244 E245 K250 K251	W232-I247 HydrophobicContact CB-CG1 4.39Å; W232-I247 HydrophobicContact CB-CG2 4.24Å; W232-I247 HydrophobicContact CG-CG2 4.14Å; L235-I247 HydrophobicContact CD1-CG1 4.13Å; K243-I247 HydrophobicContact CG-CD1 4.41Å; K243-I247 WeakPolarHBondContact O-CD1 3.47Å; K243-I247 WeakPolarHBondContact O-CG1 3.31Å; K243-I247 PolarHBondContact O-N 3.13Å; Y244-I247 PolarHBondContact O-N 2.94Å; Y244-I247 VanDerWaalsContact O-N 3.12Å; E245-I247 VanDerWaalsContact C-N 3.34Å; E245-I247 PolarHBondContact O-N 3.36Å; I247-K250 PolarHBondContact O-N 3.28Å; I247-K251 HydrophobicContact CG2-CD 4.46Å; I247-K251 WeakPolarHBondContact O-CG 3.41Å; I247-K251 PolarHBondContact O-N 3.38Å
248	S	97	Very high	95.9	Very high	16 Å²	16	74.5 Å²	74.5	11%	0.112	37%	0.373	C	S	.	.	H	α-helix	trans	-59.6	-55.9	176	-175	0	0	0	0	111.2	H204 Y244 E245 K250 K251 M252	H204-S248 WeakPolarHBondContact CB-OG 3.39Å; Y244-S248 WeakPolarHBondContact O-CB 3.4Å; Y244-S248 PolarHBondContact O-N 2.94Å; E245-S248 VanDerWaalsContact O-CB 3.29Å; E245-S248 WeakPolarHBondContact O-CB 3.37Å; E245-S248 PolarHBondContact O-N 3.02Å; E245-S248 VanDerWaalsContact O-N 3.11Å; S248-K250 VanDerWaalsContact C-N 3.25Å; S248-K250 PolarHBondContact O-N 3.5Å; S248-K251 PolarHBondContact O-N 3.06Å; S248-M252 WeakPolarHBondContact O-CG 3.32Å; S248-M252 PolarHBondContact O-N 3.25Å; S248-M252 WeakPolarHBondContact OG-CE 3.41Å
249	E	97.6	Very high	96.1	Very high	115 Å²	115	70.4 Å²	70.4	54%	0.537	34%	0.338	S	S	.	.	H	α-helix	trans	-49.3	-47.1	173.9	-70.6	160.1	-165.3	0	0	111.2	E245 M252 S253	E245-E249 VanDerWaalsContact O-CG 3.29Å; E245-E249 WeakPolarHBondContact O-CG 3.15Å; E245-E249 PolarHBondContact O-N 3.21Å; E249-M252 PolarHBondContact O-N 3.08Å; E249-S253 VanDerWaalsContact O-CB 3.32Å; E249-S253 WeakPolarHBondContact O-CB 3.16Å; E249-S253 PolarHBondContact O-N 2.92Å; E249-S253 PolarHBondContact O-OG 2.56Å
250	K	98.3	Very high	96.4	Very high	79 Å²	79	67.2 Å²	67.2	34%	0.343	32%	0.319	S	S	.	.	H	α-helix	trans	-73.6	-27.8	-178.4	-170.4	53.7	-177.9	158.1	0	113.7	W232 L235 R246 I247 S248 S253 T254	W232-K250 HydrophobicContact CB-CB 4.02Å; W232-K250 HydrophobicContact CB-CG 3.93Å; L235-K250 HydrophobicContact CD1-CB 4.15Å; R246-K250 VanDerWaalsContact O-CB 3.29Å; R246-K250 WeakPolarHBondContact O-CB 3.44Å; R246-K250 PolarHBondContact O-N 2.95Å; R246-K250 VanDerWaalsContact O-N 3.15Å; I247-K250 PolarHBondContact O-N 3.28Å; S248-K250 VanDerWaalsContact C-N 3.25Å; S248-K250 PolarHBondContact O-N 3.5Å; K250-S253 WeakPolarHBondContact CA-OG 3.15Å; K250-T254 WeakPolarHBondContact CE-OG1 3.15Å; K250-T254 PolarHBondContact NZ-OG1 3.38Å; K250-T254 VanDerWaalsContact O-CB 3.31Å; K250-T254 WeakPolarHBondContact O-CB 3.45Å; K250-T254 PolarHBondContact O-N 3.27Å; K250-T254 PolarHBondContact O-OG1 3.13Å
251	K	98.4	Very high	96.8	Very high	1 Å²	1	69 Å²	69	0%	0.004	33%	0.327	C	S	.	.	H	α-helix	trans	-71.4	-40.5	171	-79.2	-171.1	178.6	-138.1	0	112.1	R197 Y198 A199 I201 Y220 W232 I247 S248	R197-K251 WeakPolarHBondContact O-CE 3.39Å; R197-K251 PolarHBondContact O-NZ 2.87Å; R197-K251 VanDerWaalsContact O-NZ 3.09Å; Y198-K251 PolarHBondContact O-NZ 2.94Å; A199-K251 PolarHBondContact O-NZ 2.81Å; I201-K251 HydrophobicContact CD1-CB 4.35Å; I201-K251 HydrophobicContact CG1-CB 4.14Å; Y220-K251 VanDerWaalsContact CD2-NZ 3.35Å; W232-K251 HydrophobicContact CD2-CG 3.69Å; W232-K251 VanDerWaalsContact CE2-CE 3.44Å; W232-K251 HydrophobicContact CE3-CG 3.75Å; W232-K251 HydrophobicContact CG-CG 4.24Å; W232-K251 HydrophobicContact CH2-CG 4.15Å; W232-K251 HydrophobicContact CZ2-CD 4.38Å; W232-K251 HydrophobicContact CZ2-CG 4.09Å; W232-K251 HydrophobicContact CZ3-CG 3.99Å; I247-K251 HydrophobicContact CG2-CD 4.46Å; I247-K251 WeakPolarHBondContact O-CG 3.41Å; I247-K251 PolarHBondContact O-N 3.38Å; S248-K251 PolarHBondContact O-N 3.06Å
252	M	97.4	Very high	97.2	Very high	83 Å²	83	64.2 Å²	64.2	41%	0.409	33%	0.333	S	S	.	.	H	α-helix	trans	-71.1	-43.2	179.3	-66.5	167.6	-177.7	0	0	111.8	I201 L205 S248 E249 T254	I201-M252 HydrophobicContact CD1-CG 4.25Å; I201-M252 HydrophobicContact CG2-CE 3.81Å; I201-M252 HydrophobicContact CG2-CG 4.16Å; L205-M252 HydrophobicContact CD1-CE 4.16Å; L205-M252 HydrophobicContact CD2-CE 3.47Å; L205-M252 VanDerWaalsContact CD2-CE 3.47Å; L205-M252 HydrophobicContact CG-CE 3.6Å; S248-M252 WeakPolarHBondContact O-CG 3.32Å; S248-M252 PolarHBondContact O-N 3.25Å; S248-M252 WeakPolarHBondContact OG-CE 3.41Å; E249-M252 PolarHBondContact O-N 3.08Å; M252-T254 PolarHBondContact O-N 3.01Å
253	S	98.1	Very high	97.4	Very high	79 Å²	79	64.4 Å²	64.4	55%	0.552	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	6.8	178.5	60.3	0	0	0	0	115.1	E249 K250	E249-S253 VanDerWaalsContact O-CB 3.32Å; E249-S253 WeakPolarHBondContact O-CB 3.16Å; E249-S253 PolarHBondContact O-N 2.92Å; E249-S253 PolarHBondContact O-OG 2.56Å; K250-S253 WeakPolarHBondContact CA-OG 3.15Å
254	T	98.5	Very high	97.7	Very high	7 Å²	7	61.4 Å²	61.4	4%	0.043	32%	0.321	C	S	.	.	S	Bend	trans	-116.9	103.1	174.8	-54.7	0	0	0	0	109.4	K250 M252 V258 L259	K250-T254 WeakPolarHBondContact CE-OG1 3.15Å; K250-T254 PolarHBondContact NZ-OG1 3.38Å; K250-T254 VanDerWaalsContact O-CB 3.31Å; K250-T254 WeakPolarHBondContact O-CB 3.45Å; K250-T254 PolarHBondContact O-N 3.27Å; K250-T254 PolarHBondContact O-OG1 3.13Å; M252-T254 PolarHBondContact O-N 3.01Å; T254-V258 HydrophobicContact CG2-CB 4.46Å; T254-V258 HydrophobicContact CG2-CG1 4.29Å; T254-L259 HydrophobicContact CG2-CB 4.26Å
255	P	98.4	Very high	98	Very high	66 Å²	66	61.6 Å²	61.6	43%	0.429	33%	0.332	S	S	.	.			trans	-55.8	151.2	173.7	-25.1	34	0	0	0	112.1	E257 V258 L259	P255-E257 PolarHBondContact O-N 2.71Å; P255-V258 HydrophobicContact CB-CB 4.35Å; P255-V258 HydrophobicContact CB-CG2 4.03Å; P255-V258 HydrophobicContact CG-CG2 4.05Å; P255-V258 PolarHBondContact O-N 3.48Å; P255-V258 VanDerWaalsContact O-N 3.11Å; P255-L259 PolarHBondContact O-N 2.93Å
256	I	98.6	Very high	98.2	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-32.8	-178	-82	164.8	0	0	0	110.9	V258 L259 C260 S268 L271 N272 R275	I256-V258 VanDerWaalsContact C-N 3.3Å; I256-V258 PolarHBondContact O-N 2.92Å; I256-L259 PolarHBondContact O-N 3.39Å; I256-C260 WeakPolarHBondContact O-CB 3.45Å; I256-C260 PolarHBondContact O-N 3.18Å; I256-C260 PolarHBondContact O-SG 3.45Å; I256-S268 VanDerWaalsContact CG2-CA 3.47Å; I256-L271 HydrophobicContact CD1-CB 3.71Å; I256-L271 HydrophobicContact CG1-CB 4.04Å; I256-L271 HydrophobicContact CG2-CB 3.93Å; I256-L271 HydrophobicContact CG2-CD1 4.43Å; I256-N272 WeakPolarHBondContact CD1-OD1 3.31Å; I256-R275 HydrophobicContact CD1-CG 4.38Å; I256-R275 VanDerWaalsContact CD1-CZ 3.49Å
257	E	97.9	Very high	98.3	Very high	106 Å²	106	53.6 Å²	53.6	50%	0.495	30%	0.3	S	S	.	.	H	α-helix	trans	-69.9	-29.9	178.7	-59.5	61.9	-132	0	0	111.1	P255 K261 N272	P255-E257 PolarHBondContact O-N 2.71Å; E257-K261 PolarHBondContact O-N 3.3Å; E257-N272 PolarHBondContact OE1-ND2 3.33Å
258	V	98.5	Very high	98.3	Very high	91 Å²	91	53.9 Å²	53.9	55%	0.552	30%	0.303	S	S	*	.	H	α-helix	trans	-79.1	-40.9	172.8	176.1	0	0	0	0	110.6	T254 P255 I256 K261	T254-V258 HydrophobicContact CG2-CB 4.46Å; T254-V258 HydrophobicContact CG2-CG1 4.29Å; P255-V258 HydrophobicContact CB-CB 4.35Å; P255-V258 HydrophobicContact CB-CG2 4.03Å; P255-V258 HydrophobicContact CG-CG2 4.05Å; P255-V258 PolarHBondContact O-N 3.48Å; P255-V258 VanDerWaalsContact O-N 3.11Å; I256-V258 VanDerWaalsContact C-N 3.3Å; I256-V258 PolarHBondContact O-N 2.92Å; V258-K261 WeakPolarHBondContact O-CB 3.34Å; V258-K261 PolarHBondContact O-N 3.09Å
259	L	98.6	Very high	98.4	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.037	31%	0.312	C	S	.	.	H	α-helix	trans	-62.8	-40.6	175.6	176.9	64.9	0	0	0	112.3	Y220 M223 L227 L230 P231 W232 T254 P255 I256 L271	Y220-L259 HydrophobicContact CD1-CD2 4.04Å; Y220-L259 HydrophobicContact CE1-CD2 4.06Å; M223-L259 WeakPolarHBondContact CE-O 3.41Å; L227-L259 HydrophobicContact CD1-CD1 4.07Å; L230-L259 HydrophobicContact CD2-CD1 4.17Å; P231-L259 HydrophobicContact CG-CD1 3.84Å; W232-L259 HydrophobicContact CH2-CD1 3.97Å; W232-L259 HydrophobicContact CH2-CD2 3.86Å; W232-L259 HydrophobicContact CZ3-CD1 4.06Å; W232-L259 HydrophobicContact CZ3-CD2 4.37Å; T254-L259 HydrophobicContact CG2-CB 4.26Å; P255-L259 PolarHBondContact O-N 2.93Å; I256-L259 PolarHBondContact O-N 3.39Å; L259-L271 HydrophobicContact CD2-CD1 3.94Å
260	C	98.6	Very high	98.5	Very high	5 Å²	5	50 Å²	50	3%	0.034	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	6.4	-177	-53.5	0	0	0	0	113.5	M223 I256 G262 Y263	M223-C260 HydrophobicContact CE-CB 4.38Å; M223-C260 HydrophobicContact SD-CB 4.37Å; I256-C260 WeakPolarHBondContact O-CB 3.45Å; I256-C260 PolarHBondContact O-N 3.18Å; I256-C260 PolarHBondContact O-SG 3.45Å; C260-G262 PolarHBondContact O-N 3.12Å; C260-Y263 PolarHBondContact O-N 3.26Å
261	K	98.4	Very high	98.5	Very high	172 Å²	172	46.2 Å²	46.2	75%	0.748	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	123.9	-175.9	-174.2	175.7	179.8	177.5	0	111.2	E257 V258	E257-K261 PolarHBondContact O-N 3.3Å; V258-K261 WeakPolarHBondContact O-CB 3.34Å; V258-K261 PolarHBondContact O-N 3.09Å
262	G	98	Very high	98.5	Very high	79 Å²	79	49.4 Å²	49.4	81%	0.814	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	0.1	-178.3	0	0	0	0	0	115.1	C260	C260-G262 PolarHBondContact O-N 3.12Å
263	Y	98.7	Very high	98.6	Very high	80 Å²	80	47.8 Å²	47.8	31%	0.314	28%	0.28	S	S	.	.	S	Bend	trans	-112.9	161.4	174.7	-63.9	-92.5	0	0	0	110.8	M223 N226 L227 C260	M223-Y263 HydrophobicContact CE-CD2 4.01Å; M223-Y263 HydrophobicContact CE-CE2 4.49Å; M223-Y263 HydrophobicContact CE-CG 4.26Å; N226-Y263 HydrophobicContact CB-CD1 3.69Å; N226-Y263 HydrophobicContact CB-CE1 3.44Å; N226-Y263 VanDerWaalsContact CB-CE1 3.44Å; N226-Y263 HydrophobicContact CB-CG 4.4Å; N226-Y263 WeakPolarHBondContact O-CE1 3.49Å; N226-Y263 PolarHBondContact O-OH 3.22Å; L227-Y263 HydrophobicContact CD2-CD2 4.44Å; L227-Y263 HydrophobicContact CD2-CE2 3.52Å; L227-Y263 HydrophobicContact CG-CE2 4.21Å; C260-Y263 PolarHBondContact O-N 3.26Å
264	P	98.8	Very high	98.6	Very high	32 Å²	32	44 Å²	44	21%	0.208	25%	0.254	C	S	.	.			trans	-53.4	143	177.6	-29.4	36.4	0	0	0	114	L121 E266 F267 L295	L121-P264 HydrophobicContact CD1-CG 4.29Å; L121-P264 HydrophobicContact CD2-CG 3.96Å; P264-E266 WeakPolarHBondContact CB-OE2 3.35Å; P264-E266 PolarHBondContact O-N 2.95Å; P264-E266 VanDerWaalsContact O-N 3.1Å; P264-F267 HydrophobicContact CB-CD2 4.24Å; P264-F267 HydrophobicContact CB-CE2 4.34Å; P264-F267 HydrophobicContact CG-CE2 4.27Å; P264-F267 WeakPolarHBondContact O-CD2 3.35Å; P264-F267 PolarHBondContact O-N 3.4Å; P264-F267 VanDerWaalsContact O-N 3.11Å; P264-L295 HydrophobicContact CB-CD1 3.9Å; P264-L295 HydrophobicContact CB-CD2 3.51Å; P264-L295 HydrophobicContact CB-CG 4.37Å; P264-L295 HydrophobicContact CG-CD1 4.12Å; P264-L295 HydrophobicContact CG-CD2 3.86Å
265	S	98.6	Very high	98.6	Very high	72 Å²	72	47.3 Å²	47.3	50%	0.503	27%	0.266	S	S	.	.	H	α-helix	trans	-65.1	-13.9	-175.7	48.1	0	0	0	0	114.1	F267 S268 T269	S265-F267 PolarHBondContact O-N 3.02Å; S265-S268 PolarHBondContact O-N 3.39Å; S265-S268 PolarHBondContact O-OG 3.47Å; S265-T269 VanDerWaalsContact O-CB 3.26Å; S265-T269 WeakPolarHBondContact O-CB 3.26Å; S265-T269 PolarHBondContact O-N 3.48Å; S265-T269 PolarHBondContact O-OG1 2.83Å
266	E	98.8	Very high	98.6	Very high	16 Å²	16	48.3 Å²	48.3	8%	0.075	28%	0.275	C	S	.	.	H	α-helix	trans	-60.8	-31.3	171.3	-71.5	68.5	-151.4	0	0	112.5	P264 Y270 L291 F292 L295 R298	P264-E266 WeakPolarHBondContact CB-OE2 3.35Å; P264-E266 PolarHBondContact O-N 2.95Å; P264-E266 VanDerWaalsContact O-N 3.1Å; E266-Y270 WeakPolarHBondContact O-CB 3.49Å; E266-Y270 PolarHBondContact O-N 2.78Å; E266-L291 HydrophobicContact CB-CB 4.39Å; E266-L291 HydrophobicContact CG-CB 4.14Å; E266-F292 HydrophobicContact CB-CD1 4.07Å; E266-F292 HydrophobicContact CB-CE1 4.02Å; E266-L295 HydrophobicContact CB-CD2 4.18Å; E266-L295 HydrophobicContact CG-CB 4.06Å; E266-L295 HydrophobicContact CG-CD2 4.28Å; E266-R298 VanDerWaalsContact CD-NH2 3.28Å; E266-R298 IonicContact OE1-CZ 3.8Å; E266-R298 IonicContact OE1-NH1 3.97Å; E266-R298 IonicContact OE1-NH2 3.08Å; E266-R298 PolarHBondContact OE1-NH2 3.16Å; E266-R298 IonicContact OE2-NH2 2.69Å; E266-R298 PolarHBondContact OE2-NH2 3.23Å
267	F	98.9	Very high	98.6	Very high	3 Å²	3	49.6 Å²	49.6	1%	0.013	28%	0.281	C	S	.	.	H	α-helix	trans	-72	-40.7	178.5	-67.1	-74.4	0	0	0	112.6	L121 V124 L125 L222 M223 N226 P264 S265 L271 F292	L121-F267 HydrophobicContact CD1-CE2 3.73Å; L121-F267 HydrophobicContact CD1-CZ 3.87Å; V124-F267 HydrophobicContact CG1-CE1 3.98Å; V124-F267 HydrophobicContact CG1-CZ 3.98Å; L125-F267 HydrophobicContact CD2-CZ 4.13Å; L222-F267 HydrophobicContact CB-CD1 4.29Å; L222-F267 HydrophobicContact CB-CE1 4.1Å; M223-F267 HydrophobicContact SD-CB 3.67Å; M223-F267 HydrophobicContact SD-CD1 4.16Å; M223-F267 HydrophobicContact SD-CG 3.92Å; N226-F267 WeakPolarHBondContact ND2-CE1 3.47Å; N226-F267 WeakPolarHBondContact ND2-CE2 3.21Å; N226-F267 VanDerWaalsContact ND2-CZ 3.31Å; N226-F267 WeakPolarHBondContact ND2-CZ 3.4Å; P264-F267 HydrophobicContact CB-CD2 4.24Å; P264-F267 HydrophobicContact CB-CE2 4.34Å; P264-F267 HydrophobicContact CG-CE2 4.27Å; P264-F267 WeakPolarHBondContact O-CD2 3.35Å; P264-F267 PolarHBondContact O-N 3.4Å; P264-F267 VanDerWaalsContact O-N 3.11Å; S265-F267 PolarHBondContact O-N 3.02Å; F267-L271 PolarHBondContact O-N 3.1Å; F267-F292 AromaticContact CD1-CE1 3.67Å; F267-F292 HydrophobicContact CD1-CE1 3.67Å; F267-F292 HydrophobicContact CD1-CZ 4.01Å; F267-F292 HydrophobicContact CE1-CD1 4.43Å; F267-F292 AromaticContact CE1-CE1 3.66Å; F267-F292 HydrophobicContact CE1-CE1 3.66Å; F267-F292 HydrophobicContact CE1-CZ 4.16Å; F267-F292 HydrophobicContact CG-CE1 4.21Å; F267-F292 HydrophobicContact CZ-CE1 4.21Å
268	S	98.8	Very high	98.6	Very high	20 Å²	20	53 Å²	53	14%	0.14	29%	0.29	C	S	.	.	H	α-helix	trans	-71.3	-41.7	173.9	47.6	0	0	0	0	111.5	I256 S265 Y270 L271 N272	I256-S268 VanDerWaalsContact CG2-CA 3.47Å; S265-S268 PolarHBondContact O-N 3.39Å; S265-S268 PolarHBondContact O-OG 3.47Å; S268-Y270 PolarHBondContact O-N 3.23Å; S268-L271 PolarHBondContact O-N 2.74Å; S268-N272 WeakPolarHBondContact O-CB 2.99Å; S268-N272 PolarHBondContact O-N 3Å; S268-N272 PolarHBondContact O-ND2 3.39Å
269	T	98.8	Very high	98.7	Very high	48 Å²	48	49.7 Å²	49.7	29%	0.294	27%	0.268	S	S	.	.	H	α-helix	trans	-54.9	-50.4	172.4	-59	0	0	0	0	111.1	S265 L271 N272 L273 L291	S265-T269 VanDerWaalsContact O-CB 3.26Å; S265-T269 WeakPolarHBondContact O-CB 3.26Å; S265-T269 PolarHBondContact O-N 3.48Å; S265-T269 PolarHBondContact O-OG1 2.83Å; T269-L271 PolarHBondContact O-N 2.85Å; T269-N272 PolarHBondContact O-N 2.58Å; T269-L273 HydrophobicContact CG2-CD1 3.77Å; T269-L273 HydrophobicContact CG2-CG 4.4Å; T269-L273 WeakPolarHBondContact O-CB 3.26Å; T269-L273 WeakPolarHBondContact O-CD1 3.42Å; T269-L273 WeakPolarHBondContact O-CG 3.26Å; T269-L273 PolarHBondContact O-N 3.21Å; T269-L291 HydrophobicContact CG2-CD1 3.87Å; T269-L291 HydrophobicContact CG2-CD2 4.05Å
270	Y	98.9	Very high	98.7	Very high	1 Å²	1	54 Å²	54	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-56.4	-47.8	177.3	177.8	-80.2	0	0	0	112.3	I132 L215 E266 S268 L273 C274 L288 F292	I132-Y270 HydrophobicContact CD1-CE2 3.9Å; I132-Y270 HydrophobicContact CG1-CE2 4.23Å; L215-Y270 WeakPolarHBondContact O-CE1 3.46Å; L215-Y270 PolarHBondContact O-OH 2.94Å; L215-Y270 VanDerWaalsContact O-OH 3.12Å; E266-Y270 WeakPolarHBondContact O-CB 3.49Å; E266-Y270 PolarHBondContact O-N 2.78Å; S268-Y270 PolarHBondContact O-N 3.23Å; Y270-L273 PolarHBondContact O-N 2.91Å; Y270-C274 VanDerWaalsContact CE1-SG 3.54Å; Y270-C274 PolarHBondContact O-N 2.72Å; Y270-C274 PolarHBondContact O-SG 2.98Å; Y270-L288 HydrophobicContact CD2-CB 4.16Å; Y270-L288 HydrophobicContact CD2-CD2 3.68Å; Y270-L288 HydrophobicContact CD2-CG 4.36Å; Y270-L288 HydrophobicContact CE2-CB 3.99Å; Y270-L288 HydrophobicContact CE2-CD1 4.14Å; Y270-L288 HydrophobicContact CE2-CD2 4Å; Y270-L288 HydrophobicContact CE2-CG 4.26Å; Y270-L288 HydrophobicContact CG-CD2 4.39Å; Y270-F292 AromaticContact CD2-CE2 3.45Å; Y270-F292 HydrophobicContact CD2-CE2 3.45Å; Y270-F292 VanDerWaalsContact CD2-CE2 3.45Å; Y270-F292 AromaticContact CD2-CZ 3.81Å; Y270-F292 HydrophobicContact CD2-CZ 3.81Å; Y270-F292 AromaticContact CE2-CE2 3.96Å; Y270-F292 HydrophobicContact CE2-CE2 3.96Å; Y270-F292 HydrophobicContact CG-CE2 4.01Å; Y270-F292 AromaticContact CG-CZ 3.88Å; Y270-F292 HydrophobicContact CG-CZ 3.88Å
271	L	98.8	Very high	98.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-67.5	-40.7	-179.5	-83.1	168.7	0	0	0	112.6	E216 Y220 M223 I256 L259 F267 S268 T269 C274 R275	E216-L271 HydrophobicContact CG-CD2 4.39Å; Y220-L271 HydrophobicContact CD1-CD2 4.29Å; Y220-L271 HydrophobicContact CE1-CD2 4.16Å; M223-L271 HydrophobicContact CG-CD1 4.12Å; I256-L271 HydrophobicContact CD1-CB 3.71Å; I256-L271 HydrophobicContact CG1-CB 4.04Å; I256-L271 HydrophobicContact CG2-CB 3.93Å; I256-L271 HydrophobicContact CG2-CD1 4.43Å; L259-L271 HydrophobicContact CD2-CD1 3.94Å; F267-L271 PolarHBondContact O-N 3.1Å; S268-L271 PolarHBondContact O-N 2.74Å; T269-L271 PolarHBondContact O-N 2.85Å; L271-C274 PolarHBondContact O-N 3.22Å; L271-R275 PolarHBondContact O-N 2.89Å
272	N	98.8	Very high	98.7	Very high	68 Å²	68	55.9 Å²	55.9	36%	0.364	30%	0.301	S	S	.	.	H	α-helix	trans	-64.7	-42.9	176.7	-79.9	-34.3	0	0	0	111.2	I256 E257 S268 T269 C274 R275 S276	I256-N272 WeakPolarHBondContact CD1-OD1 3.31Å; E257-N272 PolarHBondContact OE1-ND2 3.33Å; S268-N272 WeakPolarHBondContact O-CB 2.99Å; S268-N272 PolarHBondContact O-N 3Å; S268-N272 PolarHBondContact O-ND2 3.39Å; T269-N272 PolarHBondContact O-N 2.58Å; N272-C274 PolarHBondContact O-N 3.47Å; N272-R275 PolarHBondContact O-N 2.88Å; N272-S276 PolarHBondContact O-N 3.36Å; N272-S276 PolarHBondContact O-OG 3.47Å
273	L	98.6	Very high	98.7	Very high	50 Å²	50	52.2 Å²	52.2	26%	0.262	26%	0.263	S	S	.	.	H	α-helix	trans	-58	-48	172.8	-71.2	163.6	0	0	0	111.6	T269 Y270 R275 S276 L277 Y287 L288 L291	T269-L273 HydrophobicContact CG2-CD1 3.77Å; T269-L273 HydrophobicContact CG2-CG 4.4Å; T269-L273 WeakPolarHBondContact O-CB 3.26Å; T269-L273 WeakPolarHBondContact O-CD1 3.42Å; T269-L273 WeakPolarHBondContact O-CG 3.26Å; T269-L273 PolarHBondContact O-N 3.21Å; Y270-L273 PolarHBondContact O-N 2.91Å; L273-R275 VanDerWaalsContact C-N 3.32Å; L273-R275 PolarHBondContact O-N 2.98Å; L273-S276 WeakPolarHBondContact CA-OG 3.38Å; L273-S276 PolarHBondContact O-N 3.09Å; L273-S276 VanDerWaalsContact O-N 3.16Å; L273-S276 PolarHBondContact O-OG 3.49Å; L273-L277 PolarHBondContact O-N 3.17Å; L273-Y287 HydrophobicContact CD1-CD1 4.05Å; L273-Y287 HydrophobicContact CD1-CE1 3.48Å; L273-Y287 VanDerWaalsContact CD1-CE1 3.48Å; L273-Y287 HydrophobicContact CD2-CE1 4.09Å; L273-Y287 HydrophobicContact CG-CE1 4.45Å; L273-L288 HydrophobicContact CB-CD2 4.18Å; L273-L288 HydrophobicContact CD1-CD2 3.85Å; L273-L291 HydrophobicContact CD1-CD1 3.81Å
274	C	98.7	Very high	98.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-38.5	179.6	-67	0	0	0	0	112.5	E216 Y270 L271 N272	E216-C274 HydrophobicContact CB-CB 4.13Å; Y270-C274 VanDerWaalsContact CE1-SG 3.54Å; Y270-C274 PolarHBondContact O-N 2.72Å; Y270-C274 PolarHBondContact O-SG 2.98Å; L271-C274 PolarHBondContact O-N 3.22Å; N272-C274 PolarHBondContact O-N 3.47Å
275	R	98.3	Very high	98.7	Very high	75 Å²	75	51.8 Å²	51.8	28%	0.283	26%	0.264	S	S	.	.	H	α-helix	trans	-72.7	-29	175.4	-72	-170.1	-175.1	170	2.7	113.6	I201 E216 Y220 I256 L271 N272 L273 L277	I201-R275 VanDerWaalsContact CD1-CZ 3.49Å; E216-R275 HydrophobicContact CG-CG 4.26Å; E216-R275 IonicContact OE1-NE 2.67Å; Y220-R275 PolarHBondContact OH-NH2 3.16Å; I256-R275 HydrophobicContact CD1-CG 4.38Å; I256-R275 VanDerWaalsContact CD1-CZ 3.49Å; L271-R275 PolarHBondContact O-N 2.89Å; N272-R275 PolarHBondContact O-N 2.88Å; L273-R275 VanDerWaalsContact C-N 3.32Å; L273-R275 PolarHBondContact O-N 2.98Å; R275-L277 VanDerWaalsContact C-N 3.34Å
276	S	98.4	Very high	98.7	Very high	88 Å²	88	51.8 Å²	51.8	62%	0.615	26%	0.263	S	S	*	.	H	α-helix	trans	-75.9	-16.7	179.2	65.6	0	0	0	0	114.9	N272 L273	N272-S276 PolarHBondContact O-N 3.36Å; N272-S276 PolarHBondContact O-OG 3.47Å; L273-S276 WeakPolarHBondContact CA-OG 3.38Å; L273-S276 PolarHBondContact O-N 3.09Å; L273-S276 VanDerWaalsContact O-N 3.16Å; L273-S276 PolarHBondContact O-OG 3.49Å
277	L	98.7	Very high	98.7	Very high	28 Å²	28	56.4 Å²	56.4	15%	0.147	28%	0.281	C	S	.	.	S	Bend	trans	-63.6	135.7	178.5	-72.4	166.2	0	0	0	111.7	R212 L273 R275 D281 P283	R212-L277 HydrophobicContact CB-CB 3.73Å; R212-L277 HydrophobicContact CB-CD1 3.73Å; R212-L277 HydrophobicContact CB-CG 4.4Å; R212-L277 WeakPolarHBondContact CD-O 3.31Å; R212-L277 PolarHBondContact NH1-O 2.67Å; L273-L277 PolarHBondContact O-N 3.17Å; R275-L277 VanDerWaalsContact C-N 3.34Å; L277-D281 HydrophobicContact CB-CB 4.43Å; L277-D281 HydrophobicContact CD2-CB 3.79Å; L277-P283 HydrophobicContact CD1-CB 4.03Å; L277-P283 HydrophobicContact CD1-CG 3.97Å
278	R	98.8	Very high	98.7	Very high	179 Å²	179	56.7 Å²	56.7	68%	0.675	28%	0.283	S	S	*	.			trans	-66.2	161.9	166.7	-55.4	172.8	176.1	-171.5	-1.3	110	D280 D281	R278-D280 PolarHBondContact O-N 3.02Å; R278-D281 HydrophobicContact CB-CB 4.32Å; R278-D281 WeakPolarHBondContact CB-OD2 3.28Å; R278-D281 WeakPolarHBondContact CG-OD2 3.09Å; R278-D281 PolarHBondContact N-OD2 2.95Å; R278-D281 PolarHBondContact O-N 3.34Å
279	F	98.8	Very high	98.7	Very high	20 Å²	20	56.9 Å²	56.9	9%	0.088	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.1	-177.2	169.7	-107.2	0	0	0	113.3	H183 I184 Y186 E208 S210	H183-F279 AromaticContact CE1-CD1 3.94Å; H183-F279 AromaticContact CE1-CE1 3.65Å; H183-F279 AromaticContact CE1-CZ 3.85Å; H183-F279 PolarHBondContact CE1-O 3.3Å; H183-F279 AromaticContact ND1-CD1 3.99Å; H183-F279 AromaticContact ND1-CE1 3.53Å; H183-F279 PolarHBondContact NE2-O 2.98Å; I184-F279 HydrophobicContact CD1-CZ 4.33Å; I184-F279 HydrophobicContact CG1-CZ 4.01Å; I184-F279 VanDerWaalsContact O-CE1 3.28Å; I184-F279 WeakPolarHBondContact O-CE1 3.13Å; Y186-F279 VanDerWaalsContact CA-CE1 3.42Å; Y186-F279 HydrophobicContact CD2-CB 4.19Å; Y186-F279 HydrophobicContact CD2-CD1 4.09Å; Y186-F279 HydrophobicContact CD2-CD2 4.2Å; Y186-F279 AromaticContact CD2-CG 3.9Å; Y186-F279 HydrophobicContact CD2-CG 3.9Å; E208-F279 HydrophobicContact CB-CE2 4.19Å; E208-F279 HydrophobicContact CB-CZ 4.37Å; E208-F279 HydrophobicContact CG-CE2 4.35Å; E208-F279 HydrophobicContact CG-CZ 4.28Å; E208-F279 VanDerWaalsContact O-CE2 3.25Å; E208-F279 WeakPolarHBondContact O-CE2 3.42Å; S210-F279 WeakPolarHBondContact CB-O 3.41Å; S210-F279 PolarHBondContact OG-O 3.25Å
280	D	98.6	Very high	98.7	Very high	98 Å²	98	58.1 Å²	58.1	52%	0.524	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	5.9	-177.6	62.4	-38.9	0	0	0	114.3	H183 R211 R278	H183-D280 HydrophobicContact CB-CB 4.17Å; R211-D280 PolarHBondContact NH2-O 2.98Å; R278-D280 PolarHBondContact O-N 3.02Å
281	D	98.7	Very high	98.7	Very high	57 Å²	57	58.9 Å²	58.9	31%	0.305	29%	0.287	S	S	.	.			trans	-62.3	145.9	173.9	-81.3	-18.2	0	0	0	111.8	R211 L277 R278 P283	R211-D281 PolarHBondContact NE-O 2.74Å; R211-D281 PolarHBondContact NH2-O 3.1Å; L277-D281 HydrophobicContact CB-CB 4.43Å; L277-D281 HydrophobicContact CD2-CB 3.79Å; R278-D281 HydrophobicContact CB-CB 4.32Å; R278-D281 WeakPolarHBondContact CB-OD2 3.28Å; R278-D281 WeakPolarHBondContact CG-OD2 3.09Å; R278-D281 PolarHBondContact N-OD2 2.95Å; R278-D281 PolarHBondContact O-N 3.34Å; D281-P283 WeakPolarHBondContact O-CD 3.42Å
282	K	98.7	Very high	98.7	Very high	159 Å²	159	59 Å²	59	69%	0.691	29%	0.288	S	S	*	.			trans	-86.2	115.3	163.2	-176.8	-162.5	169.6	-165.1	0	108.1
283	P	98.7	Very high	98.7	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.013	29%	0.287	C	S	.	.			trans	-60.5	146.5	173.6	-18.6	29.4	0	0	0	112.1	R211 L215 L277 D281 Y285	R211-P283 HydrophobicContact CB-CG 3.94Å; L215-P283 HydrophobicContact CD1-CB 3.44Å; L215-P283 VanDerWaalsContact CD1-CB 3.44Å; L215-P283 HydrophobicContact CD1-CG 3.52Å; L277-P283 HydrophobicContact CD1-CB 4.03Å; L277-P283 HydrophobicContact CD1-CG 3.97Å; D281-P283 WeakPolarHBondContact O-CD 3.42Å; P283-Y285 HydrophobicContact CB-CD1 4.32Å; P283-Y285 HydrophobicContact CB-CE1 3.96Å; P283-Y285 HydrophobicContact CB-CE2 4.3Å; P283-Y285 WeakPolarHBondContact CD-OH 3.24Å; P283-Y285 HydrophobicContact CG-CE1 4.06Å; P283-Y285 VanDerWaalsContact O-CD2 3.23Å; P283-Y285 WeakPolarHBondContact O-CD2 3.28Å; P283-Y285 VanDerWaalsContact O-CE2 3.24Å; P283-Y285 WeakPolarHBondContact O-CE2 3.33Å; P283-Y285 PolarHBondContact O-N 3.36Å
284	D	98.7	Very high	98.7	Very high	95 Å²	95	61.4 Å²	61.4	51%	0.508	29%	0.294	S	S	.	.			trans	-85.9	85	165.7	-170.6	-12.9	0	0	0	110.5	S286 Y287 L288	D284-S286 PolarHBondContact O-N 3.29Å; D284-S286 WeakPolarHBondContact OD1-CA 3.25Å; D284-S286 WeakPolarHBondContact OD1-CB 3.43Å; D284-S286 PolarHBondContact OD1-N 3.36Å; D284-Y287 PolarHBondContact O-N 3.3Å; D284-Y287 PolarHBondContact OD1-N 3.42Å; D284-Y287 WeakPolarHBondContact OD2-CB 3.33Å; D284-L288 WeakPolarHBondContact O-CG 3.16Å; D284-L288 PolarHBondContact O-N 3.48Å
285	Y	98.8	Very high	98.7	Very high	9 Å²	9	61.6 Å²	61.6	4%	0.035	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-23.2	174.6	-45.3	-86.5	0	0	0	112.9	I132 E136 H139 L215 P283 R289	I132-Y285 HydrophobicContact CG2-CD1 4.36Å; E136-Y285 HydrophobicContact CB-CD1 3.7Å; E136-Y285 HydrophobicContact CB-CD2 4.08Å; E136-Y285 HydrophobicContact CB-CE1 4.08Å; E136-Y285 HydrophobicContact CB-CE2 4.44Å; E136-Y285 HydrophobicContact CB-CG 3.7Å; E136-Y285 VanDerWaalsContact CD-CB 3.48Å; E136-Y285 VanDerWaalsContact CD-CD2 3.5Å; E136-Y285 HydrophobicContact CG-CD1 4.15Å; E136-Y285 HydrophobicContact CG-CD2 3.56Å; E136-Y285 HydrophobicContact CG-CE1 4.47Å; E136-Y285 HydrophobicContact CG-CE2 3.94Å; E136-Y285 HydrophobicContact CG-CG 3.68Å; E136-Y285 WeakPolarHBondContact OE1-CD2 3.41Å; H139-Y285 WeakPolarHBondContact CB-OH 3.29Å; H139-Y285 AromaticContact ND1-CE1 3.46Å; H139-Y285 WeakPolarHBondContact ND1-CE1 3.42Å; H139-Y285 AromaticContact ND1-CZ 3.52Å; H139-Y285 PolarHBondContact ND1-OH 2.89Å; L215-Y285 HydrophobicContact CD1-CD1 4.18Å; L215-Y285 HydrophobicContact CD1-CE1 3.88Å; L215-Y285 HydrophobicContact CD2-CD1 4.33Å; L215-Y285 HydrophobicContact CD2-CE1 4.36Å; P283-Y285 HydrophobicContact CB-CD1 4.32Å; P283-Y285 HydrophobicContact CB-CE1 3.96Å; P283-Y285 HydrophobicContact CB-CE2 4.3Å; P283-Y285 WeakPolarHBondContact CD-OH 3.24Å; P283-Y285 HydrophobicContact CG-CE1 4.06Å; P283-Y285 VanDerWaalsContact O-CD2 3.23Å; P283-Y285 WeakPolarHBondContact O-CD2 3.28Å; P283-Y285 VanDerWaalsContact O-CE2 3.24Å; P283-Y285 WeakPolarHBondContact O-CE2 3.33Å; P283-Y285 PolarHBondContact O-N 3.36Å; Y285-R289 WeakPolarHBondContact O-CG 3.29Å; Y285-R289 PolarHBondContact O-N 3.18Å; Y285-R289 VanDerWaalsContact O-N 3.16Å; Y285-R289 PolarHBondContact O-NE 3.39Å; Y285-R289 PolarHBondContact O-NH2 3.46Å
286	S	98.6	Very high	98.7	Very high	71 Å²	71	58.3 Å²	58.3	50%	0.497	28%	0.282	S	S	.	.	H	α-helix	trans	-71.4	-51.9	177.4	-157.4	0	0	0	0	110.1	D284 L288 R289 Q290	D284-S286 PolarHBondContact O-N 3.29Å; D284-S286 WeakPolarHBondContact OD1-CA 3.25Å; D284-S286 WeakPolarHBondContact OD1-CB 3.43Å; D284-S286 PolarHBondContact OD1-N 3.36Å; S286-L288 PolarHBondContact O-N 3.41Å; S286-R289 PolarHBondContact O-N 3.36Å; S286-Q290 WeakPolarHBondContact O-CB 3.42Å; S286-Q290 PolarHBondContact O-N 3.46Å
287	Y	98.7	Very high	98.7	Very high	114 Å²	114	60.1 Å²	60.1	45%	0.447	28%	0.281	S	S	.	.	H	α-helix	trans	-59.4	-44.6	174.9	179.1	-123.4	0	0	0	112.2	L273 D284 R289 Q290 L291	L273-Y287 HydrophobicContact CD1-CD1 4.05Å; L273-Y287 HydrophobicContact CD1-CE1 3.48Å; L273-Y287 VanDerWaalsContact CD1-CE1 3.48Å; L273-Y287 HydrophobicContact CD2-CE1 4.09Å; L273-Y287 HydrophobicContact CG-CE1 4.45Å; D284-Y287 PolarHBondContact O-N 3.3Å; D284-Y287 PolarHBondContact OD1-N 3.42Å; D284-Y287 WeakPolarHBondContact OD2-CB 3.33Å; Y287-R289 VanDerWaalsContact C-N 3.31Å; Y287-R289 PolarHBondContact O-N 3.11Å; Y287-Q290 PolarHBondContact O-N 2.87Å; Y287-L291 HydrophobicContact CE1-CD1 4.47Å; Y287-L291 HydrophobicContact CE2-CD2 4.13Å; Y287-L291 HydrophobicContact CE2-CG 4.39Å; Y287-L291 PolarHBondContact O-N 2.91Å
288	L	98.8	Very high	98.7	Very high	8 Å²	8	66.5 Å²	66.5	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-61.3	-35.3	178	-67.5	175.1	0	0	0	113.1	I132 L215 Y270 L273 D284 S286 L291 F292	I132-L288 HydrophobicContact CD1-CB 4.27Å; L215-L288 HydrophobicContact CD1-CD1 3.95Å; Y270-L288 HydrophobicContact CD2-CB 4.16Å; Y270-L288 HydrophobicContact CD2-CD2 3.68Å; Y270-L288 HydrophobicContact CD2-CG 4.36Å; Y270-L288 HydrophobicContact CE2-CB 3.99Å; Y270-L288 HydrophobicContact CE2-CD1 4.14Å; Y270-L288 HydrophobicContact CE2-CD2 4Å; Y270-L288 HydrophobicContact CE2-CG 4.26Å; Y270-L288 HydrophobicContact CG-CD2 4.39Å; L273-L288 HydrophobicContact CB-CD2 4.18Å; L273-L288 HydrophobicContact CD1-CD2 3.85Å; D284-L288 WeakPolarHBondContact O-CG 3.16Å; D284-L288 PolarHBondContact O-N 3.48Å; S286-L288 PolarHBondContact O-N 3.41Å; L288-L291 HydrophobicContact CD2-CD1 4.46Å; L288-F292 WeakPolarHBondContact O-CD2 3.29Å
289	R	98.8	Very high	98.6	Very high	25 Å²	25	62.6 Å²	62.6	9%	0.094	29%	0.292	C	S	.	.	H	α-helix	trans	-70.6	-42.6	168.7	-78.4	-179.4	-68.9	-112.5	-10.3	112	D129 I132 S133 E136 Y285 S286 Y287 L291 F292 R293	D129-R289 WeakPolarHBondContact OD1-CB 3.22Å; D129-R289 VanDerWaalsContact OD1-CD 3.29Å; D129-R289 WeakPolarHBondContact OD1-CD 3.47Å; D129-R289 VanDerWaalsContact OD1-CG 3.31Å; D129-R289 WeakPolarHBondContact OD1-CG 3.36Å; I132-R289 HydrophobicContact CB-CG 4.03Å; I132-R289 HydrophobicContact CD1-CG 4.01Å; I132-R289 HydrophobicContact CG2-CG 3.91Å; S133-R289 WeakPolarHBondContact OG-CD 3.13Å; S133-R289 PolarHBondContact OG-NH1 3.49Å; E136-R289 IonicContact OE1-NH2 2.7Å; E136-R289 IonicContact OE2-CZ 2.74Å; E136-R289 IonicContact OE2-NH1 2.76Å; E136-R289 PolarHBondContact OE2-NH1 3.29Å; E136-R289 IonicContact OE2-NH2 2.68Å; E136-R289 PolarHBondContact OE2-NH2 3.03Å; Y285-R289 WeakPolarHBondContact O-CG 3.29Å; Y285-R289 PolarHBondContact O-N 3.18Å; Y285-R289 VanDerWaalsContact O-N 3.16Å; Y285-R289 PolarHBondContact O-NE 3.39Å; Y285-R289 PolarHBondContact O-NH2 3.46Å; S286-R289 PolarHBondContact O-N 3.36Å; Y287-R289 VanDerWaalsContact C-N 3.31Å; Y287-R289 PolarHBondContact O-N 3.11Å; R289-L291 VanDerWaalsContact C-N 3.27Å; R289-L291 PolarHBondContact O-N 3.04Å; R289-F292 PolarHBondContact O-N 3.24Å; R289-F292 VanDerWaalsContact O-N 3.08Å; R289-R293 WeakPolarHBondContact O-CG 3.36Å; R289-R293 PolarHBondContact O-N 2.59Å
290	Q	98.6	Very high	98.6	Very high	73 Å²	73	64.8 Å²	64.8	34%	0.341	32%	0.32	S	S	.	.	H	α-helix	trans	-65.1	-30.8	-173.8	-161.1	60.3	36	0	0	112.6	S286 Y287 R293 N294	S286-Q290 WeakPolarHBondContact O-CB 3.42Å; S286-Q290 PolarHBondContact O-N 3.46Å; Y287-Q290 PolarHBondContact O-N 2.87Å; Q290-R293 PolarHBondContact O-N 3.04Å; Q290-N294 PolarHBondContact NE2-OD1 3.45Å; Q290-N294 VanDerWaalsContact O-CB 3.23Å; Q290-N294 WeakPolarHBondContact O-CB 3.27Å; Q290-N294 PolarHBondContact O-N 2.82Å; Q290-N294 PolarHBondContact O-ND2 2.91Å; Q290-N294 PolarHBondContact O-OD1 2.97Å
291	L	98.6	Very high	98.6	Very high	18 Å²	18	62.9 Å²	62.9	9%	0.094	31%	0.308	C	S	.	.	H	α-helix	trans	-51.3	-57.8	166.9	-70.2	172.5	0	0	0	111.1	E266 T269 L273 Y287 L288 R289 N294 L295	E266-L291 HydrophobicContact CB-CB 4.39Å; E266-L291 HydrophobicContact CG-CB 4.14Å; T269-L291 HydrophobicContact CG2-CD1 3.87Å; T269-L291 HydrophobicContact CG2-CD2 4.05Å; L273-L291 HydrophobicContact CD1-CD1 3.81Å; Y287-L291 HydrophobicContact CE1-CD1 4.47Å; Y287-L291 HydrophobicContact CE2-CD2 4.13Å; Y287-L291 HydrophobicContact CE2-CG 4.39Å; Y287-L291 PolarHBondContact O-N 2.91Å; L288-L291 HydrophobicContact CD2-CD1 4.46Å; R289-L291 VanDerWaalsContact C-N 3.27Å; R289-L291 PolarHBondContact O-N 3.04Å; L291-N294 PolarHBondContact O-N 3.39Å; L291-L295 PolarHBondContact O-N 3.18Å
292	F	98.8	Very high	98.5	Very high	3 Å²	3	63.8 Å²	63.8	1%	0.013	32%	0.318	C	S	.	.	H	α-helix	trans	-69.3	-34.3	-177.7	-64.6	-49.7	0	0	0	113.2	L125 A128 I132 L222 E266 F267 Y270 L288 R289 L295 F296	L125-F292 HydrophobicContact CD2-CB 3.72Å; L125-F292 HydrophobicContact CD2-CD1 3.42Å; L125-F292 VanDerWaalsContact CD2-CD1 3.42Å; L125-F292 HydrophobicContact CD2-CE1 4.34Å; L125-F292 HydrophobicContact CD2-CG 3.86Å; A128-F292 HydrophobicContact CB-CD2 3.8Å; A128-F292 HydrophobicContact CB-CE2 4.14Å; A128-F292 HydrophobicContact CB-CG 4.24Å; I132-F292 HydrophobicContact CD1-CD2 3.98Å; I132-F292 HydrophobicContact CD1-CE2 4.12Å; L222-F292 HydrophobicContact CD1-CE2 3.83Å; L222-F292 HydrophobicContact CD1-CZ 3.85Å; E266-F292 HydrophobicContact CB-CD1 4.07Å; E266-F292 HydrophobicContact CB-CE1 4.02Å; F267-F292 AromaticContact CD1-CE1 3.67Å; F267-F292 HydrophobicContact CD1-CE1 3.67Å; F267-F292 HydrophobicContact CD1-CZ 4.01Å; F267-F292 HydrophobicContact CE1-CD1 4.43Å; F267-F292 AromaticContact CE1-CE1 3.66Å; F267-F292 HydrophobicContact CE1-CE1 3.66Å; F267-F292 HydrophobicContact CE1-CZ 4.16Å; F267-F292 HydrophobicContact CG-CE1 4.21Å; F267-F292 HydrophobicContact CZ-CE1 4.21Å; Y270-F292 AromaticContact CD2-CE2 3.45Å; Y270-F292 HydrophobicContact CD2-CE2 3.45Å; Y270-F292 VanDerWaalsContact CD2-CE2 3.45Å; Y270-F292 AromaticContact CD2-CZ 3.81Å; Y270-F292 HydrophobicContact CD2-CZ 3.81Å; Y270-F292 AromaticContact CE2-CE2 3.96Å; Y270-F292 HydrophobicContact CE2-CE2 3.96Å; Y270-F292 HydrophobicContact CG-CE2 4.01Å; Y270-F292 AromaticContact CG-CZ 3.88Å; Y270-F292 HydrophobicContact CG-CZ 3.88Å; L288-F292 WeakPolarHBondContact O-CD2 3.29Å; R289-F292 PolarHBondContact O-N 3.24Å; R289-F292 VanDerWaalsContact O-N 3.08Å; F292-L295 PolarHBondContact O-N 2.94Å; F292-F296 VanDerWaalsContact O-CB 3.32Å; F292-F296 WeakPolarHBondContact O-CB 3.48Å; F292-F296 PolarHBondContact O-N 2.88Å
293	R	98.6	Very high	98.3	Very high	93 Å²	93	60.8 Å²	60.8	35%	0.351	30%	0.303	S	S	.	.	H	α-helix	trans	-65.4	-44.1	173.3	-68.3	174	-179.6	-163.6	-6.9	112.4	D129 R289 Q290 L295 F296 H297	D129-R293 VanDerWaalsContact CG-NH2 3.28Å; D129-R293 IonicContact OD1-CZ 2.75Å; D129-R293 IonicContact OD1-NE 2.96Å; D129-R293 PolarHBondContact OD1-NE 3.43Å; D129-R293 IonicContact OD1-NH2 2.69Å; D129-R293 PolarHBondContact OD1-NH2 2.77Å; D129-R293 IonicContact OD2-CZ 2.69Å; D129-R293 IonicContact OD2-NE 2.67Å; D129-R293 IonicContact OD2-NH2 2.86Å; D129-R293 PolarHBondContact OD2-NH2 3.29Å; R289-R293 WeakPolarHBondContact O-CG 3.36Å; R289-R293 PolarHBondContact O-N 2.59Å; Q290-R293 PolarHBondContact O-N 3.04Å; R293-L295 VanDerWaalsContact C-N 3.34Å; R293-L295 PolarHBondContact O-N 2.86Å; R293-F296 WeakPolarHBondContact O-CB 3.37Å; R293-F296 PolarHBondContact O-N 3.29Å; R293-H297 PolarHBondContact O-N 3.43Å
294	N	98.6	Very high	98.1	Very high	75 Å²	75	64 Å²	64	40%	0.401	32%	0.321	S	S	.	.	H	α-helix	trans	-61.7	-43.6	176	-73	-8.6	0	0	0	110.8	Q290 L291 R298	Q290-N294 PolarHBondContact NE2-OD1 3.45Å; Q290-N294 VanDerWaalsContact O-CB 3.23Å; Q290-N294 WeakPolarHBondContact O-CB 3.27Å; Q290-N294 PolarHBondContact O-N 2.82Å; Q290-N294 PolarHBondContact O-ND2 2.91Å; Q290-N294 PolarHBondContact O-OD1 2.97Å; L291-N294 PolarHBondContact O-N 3.39Å; N294-R298 VanDerWaalsContact O-CG 3.31Å; N294-R298 WeakPolarHBondContact O-CG 3.45Å; N294-R298 PolarHBondContact O-N 2.99Å
295	L	98.7	Very high	97.9	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-60.9	-45.8	172.9	174.9	62.6	0	0	0	112	L121 L125 P264 E266 L291 F292 R293 H297 R298 Q299	L121-L295 HydrophobicContact CD1-CD2 4.49Å; L125-L295 HydrophobicContact CD1-CD2 3.95Å; L125-L295 HydrophobicContact CD1-CG 3.94Å; L125-L295 HydrophobicContact CD2-CD2 3.86Å; P264-L295 HydrophobicContact CB-CD1 3.9Å; P264-L295 HydrophobicContact CB-CD2 3.51Å; P264-L295 HydrophobicContact CB-CG 4.37Å; P264-L295 HydrophobicContact CG-CD1 4.12Å; P264-L295 HydrophobicContact CG-CD2 3.86Å; E266-L295 HydrophobicContact CB-CD2 4.18Å; E266-L295 HydrophobicContact CG-CB 4.06Å; E266-L295 HydrophobicContact CG-CD2 4.28Å; L291-L295 PolarHBondContact O-N 3.18Å; F292-L295 PolarHBondContact O-N 2.94Å; R293-L295 VanDerWaalsContact C-N 3.34Å; R293-L295 PolarHBondContact O-N 2.86Å; L295-H297 PolarHBondContact O-N 3.43Å; L295-R298 PolarHBondContact O-N 3.37Å; L295-Q299 HydrophobicContact CD1-CG 3.92Å; L295-Q299 HydrophobicContact CG-CG 4.41Å; L295-Q299 VanDerWaalsContact O-CG 3.26Å; L295-Q299 WeakPolarHBondContact O-CG 3.24Å; L295-Q299 PolarHBondContact O-N 3.47Å
296	F	98.6	Very high	97.8	Very high	5 Å²	5	66 Å²	66	2%	0.022	33%	0.327	C	S	.	.	H	α-helix	trans	-57.1	-45.8	179.1	-168.5	-93	0	0	0	112.2	K122 L125 L126 F292 R293 Q299 F301 S302 Y303	K122-F296 HydrophobicContact CG-CE2 3.69Å; K122-F296 HydrophobicContact CG-CZ 4.1Å; L125-F296 HydrophobicContact CB-CD2 3.78Å; L125-F296 HydrophobicContact CD1-CB 4.18Å; L125-F296 HydrophobicContact CD1-CD2 4.08Å; L126-F296 HydrophobicContact CD2-CE2 3.87Å; L126-F296 HydrophobicContact CD2-CZ 3.76Å; L126-F296 HydrophobicContact CG-CE2 3.82Å; L126-F296 HydrophobicContact CG-CZ 4.13Å; F292-F296 VanDerWaalsContact O-CB 3.32Å; F292-F296 WeakPolarHBondContact O-CB 3.48Å; F292-F296 PolarHBondContact O-N 2.88Å; R293-F296 WeakPolarHBondContact O-CB 3.37Å; R293-F296 PolarHBondContact O-N 3.29Å; F296-Q299 PolarHBondContact O-N 2.96Å; F296-F301 HydrophobicContact CD1-CB 3.91Å; F296-F301 HydrophobicContact CD2-CB 3.94Å; F296-F301 AromaticContact CD2-CD2 3.7Å; F296-F301 HydrophobicContact CD2-CD2 3.7Å; F296-F301 HydrophobicContact CD2-CG 4.32Å; F296-F301 HydrophobicContact CE1-CB 3.63Å; F296-F301 WeakPolarHBondContact CE1-O 3.34Å; F296-F301 HydrophobicContact CE2-CB 3.66Å; F296-F301 AromaticContact CE2-CD2 3.93Å; F296-F301 HydrophobicContact CE2-CD2 3.93Å; F296-F301 HydrophobicContact CE2-CG 4.23Å; F296-F301 HydrophobicContact CG-CB 4.06Å; F296-F301 HydrophobicContact CG-CD2 4.22Å; F296-F301 HydrophobicContact CZ-CB 3.5Å; F296-F301 VanDerWaalsContact CZ-CB 3.5Å; F296-F301 PolarHBondContact O-N 2.93Å; F296-S302 WeakPolarHBondContact CZ-O 3.4Å; F296-Y303 HydrophobicContact CD1-CD2 4.24Å; F296-Y303 AromaticContact CE1-CD2 3.7Å; F296-Y303 HydrophobicContact CE1-CD2 3.7Å; F296-Y303 HydrophobicContact CE1-CG 4.34Å; F296-Y303 HydrophobicContact CZ-CD2 4.01Å
297	H	98.2	Very high	97.8	Very high	126 Å²	126	62.7 Å²	62.7	58%	0.583	30%	0.303	S	S	*	.	H	α-helix	trans	-67	-42.9	176	-63.8	166.8	0	0	0	112.7	R293 L295 Q299 G300	R293-H297 PolarHBondContact O-N 3.43Å; L295-H297 PolarHBondContact O-N 3.43Å; H297-Q299 PolarHBondContact O-N 3.32Å; H297-G300 PolarHBondContact O-N 3.27Å
298	R	98.4	Very high	97.8	Very high	162 Å²	162	58.9 Å²	58.9	61%	0.611	29%	0.291	S	S	*	.	H	α-helix	trans	-65.2	-24.2	176.9	-70.5	-177.4	-43.8	-155.3	2.9	113.5	E266 N294 L295 G300	E266-R298 VanDerWaalsContact CD-NH2 3.28Å; E266-R298 IonicContact OE1-CZ 3.8Å; E266-R298 IonicContact OE1-NH1 3.97Å; E266-R298 IonicContact OE1-NH2 3.08Å; E266-R298 PolarHBondContact OE1-NH2 3.16Å; E266-R298 IonicContact OE2-NH2 2.69Å; E266-R298 PolarHBondContact OE2-NH2 3.23Å; N294-R298 VanDerWaalsContact O-CG 3.31Å; N294-R298 WeakPolarHBondContact O-CG 3.45Å; N294-R298 PolarHBondContact O-N 2.99Å; L295-R298 PolarHBondContact O-N 3.37Å; R298-G300 VanDerWaalsContact C-N 3.27Å
299	Q	98.3	Very high	97.7	Very high	97 Å²	97	58.9 Å²	58.9	45%	0.453	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	0.5	172.9	-66.5	-71.8	-30.9	0	0	112.9	L121 L295 F296 H297 F301	L121-Q299 HydrophobicContact CD2-CG 4.11Å; L295-Q299 HydrophobicContact CD1-CG 3.92Å; L295-Q299 HydrophobicContact CG-CG 4.41Å; L295-Q299 VanDerWaalsContact O-CG 3.26Å; L295-Q299 WeakPolarHBondContact O-CG 3.24Å; L295-Q299 PolarHBondContact O-N 3.47Å; F296-Q299 PolarHBondContact O-N 2.96Å; H297-Q299 PolarHBondContact O-N 3.32Å; Q299-F301 VanDerWaalsContact C-N 3.27Å; Q299-F301 HydrophobicContact CB-CD1 4.25Å; Q299-F301 HydrophobicContact CB-CD2 3.71Å; Q299-F301 HydrophobicContact CB-CE1 4.05Å; Q299-F301 HydrophobicContact CB-CE2 3.5Å; Q299-F301 VanDerWaalsContact CB-CE2 3.5Å; Q299-F301 HydrophobicContact CB-CG 4.09Å; Q299-F301 HydrophobicContact CB-CZ 3.68Å; Q299-F301 HydrophobicContact CG-CE2 4.01Å; Q299-F301 HydrophobicContact CG-CZ 4.27Å; Q299-F301 PolarHBondContact O-N 2.87Å
300	G	98	Very high	97.5	Very high	66 Å²	66	59.9 Å²	59.9	68%	0.68	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	20.4	179.4	0	0	0	0	0	114.4	H297 R298	H297-G300 PolarHBondContact O-N 3.27Å; R298-G300 VanDerWaalsContact C-N 3.27Å
301	F	98.4	Very high	97	Very high	58 Å²	58	62.2 Å²	62.2	25%	0.254	31%	0.31	S	S	.	.			trans	-78.5	133.2	-177.2	-61.6	-33	0	0	0	112.4	L121 K122 L125 F296 Q299	L121-F301 HydrophobicContact CB-CE2 4.23Å; L121-F301 HydrophobicContact CB-CZ 4.32Å; L121-F301 HydrophobicContact CD2-CE2 4.22Å; L121-F301 HydrophobicContact CD2-CZ 4.46Å; L121-F301 HydrophobicContact CG-CE2 4.08Å; K122-F301 HydrophobicContact CB-CD1 4.28Å; K122-F301 HydrophobicContact CB-CD2 3.88Å; K122-F301 HydrophobicContact CB-CE1 4.35Å; K122-F301 HydrophobicContact CB-CE2 3.96Å; K122-F301 HydrophobicContact CB-CG 4.05Å; K122-F301 HydrophobicContact CB-CZ 4.2Å; K122-F301 HydrophobicContact CG-CB 4.16Å; K122-F301 HydrophobicContact CG-CD1 4.48Å; K122-F301 HydrophobicContact CG-CD2 4.17Å; K122-F301 HydrophobicContact CG-CG 4.04Å; L125-F301 HydrophobicContact CD1-CD2 4.48Å; L125-F301 HydrophobicContact CD1-CE2 4.32Å; F296-F301 HydrophobicContact CD1-CB 3.91Å; F296-F301 HydrophobicContact CD2-CB 3.94Å; F296-F301 AromaticContact CD2-CD2 3.7Å; F296-F301 HydrophobicContact CD2-CD2 3.7Å; F296-F301 HydrophobicContact CD2-CG 4.32Å; F296-F301 HydrophobicContact CE1-CB 3.63Å; F296-F301 WeakPolarHBondContact CE1-O 3.34Å; F296-F301 HydrophobicContact CE2-CB 3.66Å; F296-F301 AromaticContact CE2-CD2 3.93Å; F296-F301 HydrophobicContact CE2-CD2 3.93Å; F296-F301 HydrophobicContact CE2-CG 4.23Å; F296-F301 HydrophobicContact CG-CB 4.06Å; F296-F301 HydrophobicContact CG-CD2 4.22Å; F296-F301 HydrophobicContact CZ-CB 3.5Å; F296-F301 VanDerWaalsContact CZ-CB 3.5Å; F296-F301 PolarHBondContact O-N 2.93Å; Q299-F301 VanDerWaalsContact C-N 3.27Å; Q299-F301 HydrophobicContact CB-CD1 4.25Å; Q299-F301 HydrophobicContact CB-CD2 3.71Å; Q299-F301 HydrophobicContact CB-CE1 4.05Å; Q299-F301 HydrophobicContact CB-CE2 3.5Å; Q299-F301 VanDerWaalsContact CB-CE2 3.5Å; Q299-F301 HydrophobicContact CB-CG 4.09Å; Q299-F301 HydrophobicContact CB-CZ 3.68Å; Q299-F301 HydrophobicContact CG-CE2 4.01Å; Q299-F301 HydrophobicContact CG-CZ 4.27Å; Q299-F301 PolarHBondContact O-N 2.87Å
302	S	96.9	Very high	96.3	Very high	76 Å²	76	64.2 Å²	64.2	53%	0.531	32%	0.321	S	S	.	.			trans	-72.9	132.6	170.8	-56.8	0	0	0	0	111.6	K122 F296 D304	K122-S302 VanDerWaalsContact CE-O 3.26Å; K122-S302 WeakPolarHBondContact CE-O 3.39Å; F296-S302 WeakPolarHBondContact CZ-O 3.4Å; S302-D304 PolarHBondContact O-N 3.42Å
303	Y	94.1	Very high	95.1	Very high	96 Å²	96	69.9 Å²	69.9	38%	0.376	35%	0.345	S	S	.	.			trans	-83.3	59.5	175.3	-155.9	-91.8	0	0	0	111.2	L126 F296 Y305	L126-Y303 HydrophobicContact CD2-CD2 3.63Å; L126-Y303 HydrophobicContact CD2-CE2 3.47Å; L126-Y303 VanDerWaalsContact CD2-CE2 3.47Å; L126-Y303 HydrophobicContact CD2-CG 4.32Å; F296-Y303 HydrophobicContact CD1-CD2 4.24Å; F296-Y303 AromaticContact CE1-CD2 3.7Å; F296-Y303 HydrophobicContact CE1-CD2 3.7Å; F296-Y303 HydrophobicContact CE1-CG 4.34Å; F296-Y303 HydrophobicContact CZ-CD2 4.01Å; Y303-Y305 HydrophobicContact CD1-CE1 4.49Å; Y303-Y305 HydrophobicContact CD1-CE2 4.36Å; Y303-Y305 HydrophobicContact CE1-CD1 4.48Å; Y303-Y305 AromaticContact CE1-CE1 3.75Å; Y303-Y305 HydrophobicContact CE1-CE1 3.75Å; Y303-Y305 HydrophobicContact CE1-CE2 4.31Å; Y303-Y305 AromaticContact CE1-CZ 3.64Å
304	D	95.4	Very high	93.3	Very high	71 Å²	71	72.1 Å²	72.1	38%	0.38	36%	0.358	S	S	.	.	S	Bend	trans	-95.2	-1	-171.4	56.5	19.8	0	0	0	114.1	K122 S302 V306	K122-D304 WeakPolarHBondContact CE-OD1 3.29Å; K122-D304 IonicContact NZ-OD1 2.72Å; K122-D304 PolarHBondContact NZ-OD1 3.4Å; K122-D304 IonicContact NZ-OD2 3.49Å; K122-D304 PolarHBondContact NZ-OD2 3.36Å; S302-D304 PolarHBondContact O-N 3.42Å; D304-V306 HydrophobicContact CB-CG2 4.12Å; D304-V306 PolarHBondContact O-N 3.16Å; D304-V306 WeakPolarHBondContact OD1-CB 3.46Å; D304-V306 PolarHBondContact OD1-N 3.04Å
305	Y	95	Very high	91.1	Very high	97 Å²	97	70.4 Å²	70.4	38%	0.38	36%	0.358	S	S	.	.			trans	57.4	21.4	-170.6	-53.3	-87.3	0	0	0	115.4	N162 Y303 F307	N162-Y305 HydrophobicContact CB-CD1 3.93Å; N162-Y305 HydrophobicContact CB-CG 3.96Å; N162-Y305 WeakPolarHBondContact ND2-CD1 3.19Å; Y303-Y305 HydrophobicContact CD1-CE1 4.49Å; Y303-Y305 HydrophobicContact CD1-CE2 4.36Å; Y303-Y305 HydrophobicContact CE1-CD1 4.48Å; Y303-Y305 AromaticContact CE1-CE1 3.75Å; Y303-Y305 HydrophobicContact CE1-CE1 3.75Å; Y303-Y305 HydrophobicContact CE1-CE2 4.31Å; Y303-Y305 AromaticContact CE1-CZ 3.64Å; Y305-F307 WeakPolarHBondContact O-CD2 3.34Å; Y305-F307 WeakPolarHBondContact O-CE2 3.45Å; Y305-F307 PolarHBondContact O-N 3.34Å
306	V	96.6	Very high	88.8	Confident	48 Å²	48	73.6 Å²	73.6	29%	0.291	38%	0.381	S	S	.	.			trans	-88.1	104	174.5	-177.5	0	0	0	0	109.3	K122 D304 N310 M311	K122-V306 PolarHBondContact NZ-O 2.84Å; D304-V306 HydrophobicContact CB-CG2 4.12Å; D304-V306 PolarHBondContact O-N 3.16Å; D304-V306 WeakPolarHBondContact OD1-CB 3.46Å; D304-V306 PolarHBondContact OD1-N 3.04Å; V306-N310 HydrophobicContact CG1-CB 4.16Å; V306-M311 HydrophobicContact CG1-CG 4.14Å; V306-M311 HydrophobicContact CG1-SD 3.64Å
307	F	97.9	Very high	86.5	Confident	1 Å²	1	76 Å²	76	0%	0.004	40%	0.398	C	S	.	.			trans	-92.1	166.9	173.8	-51.4	-96	0	0	0	111.1	T123 L126 L127 M155 N162 Y305 W309 N310	T123-F307 HydrophobicContact CG2-CB 4.4Å; T123-F307 HydrophobicContact CG2-CD1 4.19Å; T123-F307 WeakPolarHBondContact OG1-CA 3.27Å; L126-F307 HydrophobicContact CB-CD1 4.07Å; L126-F307 HydrophobicContact CB-CE1 3.51Å; L126-F307 HydrophobicContact CB-CZ 4.24Å; L126-F307 HydrophobicContact CD1-CD1 4.07Å; L126-F307 HydrophobicContact CD1-CE1 4.08Å; L126-F307 HydrophobicContact CG-CE1 4.44Å; L127-F307 HydrophobicContact CD2-CE1 4.06Å; L127-F307 HydrophobicContact CG-CD1 4.44Å; L127-F307 HydrophobicContact CG-CE1 4.13Å; M155-F307 HydrophobicContact CE-CE2 4.07Å; M155-F307 HydrophobicContact CE-CZ 4.2Å; N162-F307 HydrophobicContact CB-CE2 4.38Å; Y305-F307 WeakPolarHBondContact O-CD2 3.34Å; Y305-F307 WeakPolarHBondContact O-CE2 3.45Å; Y305-F307 PolarHBondContact O-N 3.34Å; F307-W309 VanDerWaalsContact C-N 3.28Å; F307-W309 HydrophobicContact CB-CD2 3.77Å; F307-W309 VanDerWaalsContact CB-CE2 3.44Å; F307-W309 HydrophobicContact CB-CE3 3.98Å; F307-W309 HydrophobicContact CB-CG 4.49Å; F307-W309 HydrophobicContact CB-CH2 3.64Å; F307-W309 HydrophobicContact CB-CZ2 3.39Å; F307-W309 HydrophobicContact CB-CZ3 3.92Å; F307-W309 AromaticContact CD1-CH2 3.52Å; F307-W309 HydrophobicContact CD1-CH2 3.52Å; F307-W309 AromaticContact CD1-CZ2 3.66Å; F307-W309 HydrophobicContact CD1-CZ2 3.66Å; F307-W309 HydrophobicContact CD1-CZ3 4.34Å; F307-W309 HydrophobicContact CD2-CH2 4.32Å; F307-W309 AromaticContact CD2-CZ2 3.59Å; F307-W309 HydrophobicContact CD2-CZ2 3.59Å; F307-W309 HydrophobicContact CE1-CH2 4.18Å; F307-W309 HydrophobicContact CE1-CZ2 4.25Å; F307-W309 HydrophobicContact CE2-CZ2 4.21Å; F307-W309 AromaticContact CG-CE2 3.81Å; F307-W309 AromaticContact CG-CH2 3.59Å; F307-W309 HydrophobicContact CG-CH2 3.59Å; F307-W309 AromaticContact CG-CZ2 3.27Å; F307-W309 HydrophobicContact CG-CZ2 3.27Å; F307-W309 HydrophobicContact CG-CZ3 4.35Å; F307-W309 PolarHBondContact O-N 3.21Å; F307-N310 PolarHBondContact N-OD1 3.12Å; F307-N310 VanDerWaalsContact N-OD1 3.11Å; F307-N310 VanDerWaalsContact O-CB 3.29Å; F307-N310 WeakPolarHBondContact O-CB 3.46Å; F307-N310 PolarHBondContact O-N 3.31Å; F307-N310 PolarHBondContact O-OD1 2.85Å
308	D	98	Very high	84.1	Confident	34 Å²	34	78.4 Å²	78.4	18%	0.182	40%	0.402	C	S	.	.	H	α-helix	trans	-59.7	-36.3	-172.9	-50.3	-32.9	0	0	0	113.1	F119 S120 T123 N310 M311 L312	F119-D308 WeakPolarHBondContact CA-OD2 3.47Å; S120-D308 VanDerWaalsContact CB-OD1 3.28Å; S120-D308 WeakPolarHBondContact CB-OD1 3.36Å; S120-D308 PolarHBondContact N-OD2 3.1Å; S120-D308 PolarHBondContact OG-OD1 2.82Å; T123-D308 VanDerWaalsContact CB-OD2 3.23Å; T123-D308 WeakPolarHBondContact CB-OD2 3.43Å; T123-D308 PolarHBondContact OG1-N 3.25Å; T123-D308 VanDerWaalsContact OG1-N 3.07Å; T123-D308 PolarHBondContact OG1-OD1 2.98Å; T123-D308 PolarHBondContact OG1-OD2 3.47Å; T123-D308 VanDerWaalsContact OG1-OD2 3.06Å; D308-N310 VanDerWaalsContact C-N 3.26Å; D308-N310 PolarHBondContact O-N 3.32Å; D308-M311 PolarHBondContact O-N 3.31Å; D308-L312 PolarHBondContact O-N 2.88Å
309	W	97.3	Very high	81.9	Confident	8 Å²	8	74.9 Å²	74.9	3%	0.03	40%	0.398	C	S	.	.	H	α-helix	trans	-69.9	-19.1	177.6	57.9	77.3	0	0	0	113.8	L108 L111 F114 F119 T123 L127 M155 F307 K313	L108-W309 HydrophobicContact CD2-CH2 4.4Å; L111-W309 HydrophobicContact CB-CD2 4.3Å; L111-W309 HydrophobicContact CB-CE3 3.87Å; L111-W309 HydrophobicContact CB-CZ3 4.2Å; L111-W309 HydrophobicContact CD1-CD2 3.94Å; L111-W309 HydrophobicContact CD1-CE3 4.09Å; L111-W309 HydrophobicContact CD1-CH2 4.09Å; L111-W309 HydrophobicContact CD1-CZ2 3.92Å; L111-W309 HydrophobicContact CD1-CZ3 4.17Å; L111-W309 HydrophobicContact CD2-CB 3.97Å; L111-W309 HydrophobicContact CD2-CD2 3.87Å; L111-W309 HydrophobicContact CD2-CE3 4.31Å; L111-W309 HydrophobicContact CD2-CG 3.73Å; L111-W309 HydrophobicContact CG-CD2 4.26Å; L111-W309 HydrophobicContact CG-CE3 4.32Å; F114-W309 HydrophobicContact CD1-CB 3.9Å; F114-W309 HydrophobicContact CE1-CB 4.01Å; F119-W309 HydrophobicContact CD1-CZ3 4.48Å; F119-W309 AromaticContact CE1-CE3 3.8Å; F119-W309 HydrophobicContact CE1-CE3 3.8Å; F119-W309 AromaticContact CE1-CZ3 3.74Å; F119-W309 HydrophobicContact CE1-CZ3 3.74Å; F119-W309 HydrophobicContact CE2-CZ3 4.38Å; F119-W309 HydrophobicContact CZ-CE3 4.12Å; F119-W309 AromaticContact CZ-CZ3 3.68Å; F119-W309 HydrophobicContact CZ-CZ3 3.68Å; T123-W309 HydrophobicContact CG2-CH2 4.29Å; T123-W309 HydrophobicContact CG2-CZ3 3.76Å; L127-W309 HydrophobicContact CD1-CH2 4.25Å; L127-W309 HydrophobicContact CD1-CZ3 4.43Å; L127-W309 HydrophobicContact CD2-CH2 4.16Å; L127-W309 HydrophobicContact CG-CH2 4.46Å; M155-W309 HydrophobicContact CE-CZ2 4.14Å; M155-W309 HydrophobicContact CG-CZ2 4.05Å; M155-W309 HydrophobicContact SD-CH2 4.43Å; M155-W309 HydrophobicContact SD-CZ2 3.97Å; F307-W309 VanDerWaalsContact C-N 3.28Å; F307-W309 HydrophobicContact CB-CD2 3.77Å; F307-W309 VanDerWaalsContact CB-CE2 3.44Å; F307-W309 HydrophobicContact CB-CE3 3.98Å; F307-W309 HydrophobicContact CB-CG 4.49Å; F307-W309 HydrophobicContact CB-CH2 3.64Å; F307-W309 HydrophobicContact CB-CZ2 3.39Å; F307-W309 HydrophobicContact CB-CZ3 3.92Å; F307-W309 AromaticContact CD1-CH2 3.52Å; F307-W309 HydrophobicContact CD1-CH2 3.52Å; F307-W309 AromaticContact CD1-CZ2 3.66Å; F307-W309 HydrophobicContact CD1-CZ2 3.66Å; F307-W309 HydrophobicContact CD1-CZ3 4.34Å; F307-W309 HydrophobicContact CD2-CH2 4.32Å; F307-W309 AromaticContact CD2-CZ2 3.59Å; F307-W309 HydrophobicContact CD2-CZ2 3.59Å; F307-W309 HydrophobicContact CE1-CH2 4.18Å; F307-W309 HydrophobicContact CE1-CZ2 4.25Å; F307-W309 HydrophobicContact CE2-CZ2 4.21Å; F307-W309 AromaticContact CG-CE2 3.81Å; F307-W309 AromaticContact CG-CH2 3.59Å; F307-W309 HydrophobicContact CG-CH2 3.59Å; F307-W309 AromaticContact CG-CZ2 3.27Å; F307-W309 HydrophobicContact CG-CZ2 3.27Å; F307-W309 HydrophobicContact CG-CZ3 4.35Å; F307-W309 PolarHBondContact O-N 3.21Å; W309-K313 WeakPolarHBondContact O-CG 3.48Å; W309-K313 PolarHBondContact O-N 3.11Å
310	N	94.5	Very high	79.8	Confident	47 Å²	47	72.9 Å²	72.9	25%	0.251	40%	0.399	S	S	.	.	H	α-helix	trans	-68.8	-47.3	170.7	-62.7	91.3	0	0	0	109.6	V306 F307 D308 L312 K313 F314	V306-N310 HydrophobicContact CG1-CB 4.16Å; F307-N310 PolarHBondContact N-OD1 3.12Å; F307-N310 VanDerWaalsContact N-OD1 3.11Å; F307-N310 VanDerWaalsContact O-CB 3.29Å; F307-N310 WeakPolarHBondContact O-CB 3.46Å; F307-N310 PolarHBondContact O-N 3.31Å; F307-N310 PolarHBondContact O-OD1 2.85Å; D308-N310 VanDerWaalsContact C-N 3.26Å; D308-N310 PolarHBondContact O-N 3.32Å; N310-L312 VanDerWaalsContact C-N 3.34Å; N310-L312 PolarHBondContact O-N 2.82Å; N310-K313 PolarHBondContact O-N 3.09Å; N310-K313 VanDerWaalsContact O-N 3.14Å; N310-F314 HydrophobicContact CB-CE2 4.49Å; N310-F314 WeakPolarHBondContact O-CD2 3.25Å; N310-F314 PolarHBondContact O-N 2.82Å
311	M	88.8	Confident	77.6	Confident	122 Å²	122	75 Å²	75	60%	0.601	39%	0.391	S	S	*	.	H	α-helix	trans	-60.1	-43	179.8	-57.8	-58.1	-73.5	0	0	112	V306 D308 K313 F314 G315	V306-M311 HydrophobicContact CG1-CG 4.14Å; V306-M311 HydrophobicContact CG1-SD 3.64Å; D308-M311 PolarHBondContact O-N 3.31Å; M311-K313 VanDerWaalsContact C-N 3.31Å; M311-K313 PolarHBondContact O-N 2.77Å; M311-F314 PolarHBondContact O-N 2.84Å; M311-G315 PolarHBondContact O-N 3.04Å
312	L	83.7	Confident	75.6	Confident	60 Å²	60	76.2 Å²	76.2	31%	0.314	40%	0.4	S	S	.	.	H	α-helix	trans	-62.4	-34.3	176.7	-68.4	175.3	0	0	0	113.2	F114 C115 D308 N310 S316	F114-L312 HydrophobicContact CD1-CD1 4.06Å; F114-L312 HydrophobicContact CE1-CB 3.76Å; F114-L312 HydrophobicContact CE1-CD1 3.87Å; F114-L312 HydrophobicContact CE1-CG 4.49Å; F114-L312 HydrophobicContact CZ-CB 4.1Å; C115-L312 HydrophobicContact CB-CD1 4.39Å; D308-L312 PolarHBondContact O-N 2.88Å; N310-L312 VanDerWaalsContact C-N 3.34Å; N310-L312 PolarHBondContact O-N 2.82Å; L312-S316 WeakPolarHBondContact O-CB 3.45Å; L312-S316 PolarHBondContact O-N 2.87Å; L312-S316 VanDerWaalsContact O-N 3.16Å; L312-S316 PolarHBondContact O-OG 3.43Å
313	K	74.2	Confident	73.8	Confident	122 Å²	122	73.9 Å²	73.9	53%	0.53	39%	0.388	S	S	.	.	H	α-helix	trans	-68.5	-42.6	175.6	-73.8	174.5	-178.3	-177	0	111.8	W309 N310 M311 S316 S317	W309-K313 WeakPolarHBondContact O-CG 3.48Å; W309-K313 PolarHBondContact O-N 3.11Å; N310-K313 PolarHBondContact O-N 3.09Å; N310-K313 VanDerWaalsContact O-N 3.14Å; M311-K313 VanDerWaalsContact C-N 3.31Å; M311-K313 PolarHBondContact O-N 2.77Å; K313-S316 PolarHBondContact O-N 2.64Å; K313-S317 PolarHBondContact O-N 3.11Å
314	F	59.8	Low	72.1	Confident	139 Å²	139	74.5 Å²	74.5	61%	0.61	40%	0.395	S	S	*	.	H	α-helix	trans	-67	-41.1	177.3	-67.1	-63.1	0	0	0	112.9	N310 M311 S316 S317 R318	N310-F314 HydrophobicContact CB-CE2 4.49Å; N310-F314 WeakPolarHBondContact O-CD2 3.25Å; N310-F314 PolarHBondContact O-N 2.82Å; M311-F314 PolarHBondContact O-N 2.84Å; F314-S316 VanDerWaalsContact C-N 3.26Å; F314-S316 PolarHBondContact O-N 2.99Å; F314-S317 PolarHBondContact O-N 3.21Å; F314-S317 VanDerWaalsContact O-N 3.15Å; F314-R318 PolarHBondContact O-N 3.45Å
315	G	52.7	Low	70.4	Confident	39 Å²	39	78.5 Å²	78.5	40%	0.402	40%	0.404	S	S	.	.	H	α-helix	trans	-62.7	-31.9	174.1	0	0	0	0	0	113.5	M311 T319	M311-G315 PolarHBondContact O-N 3.04Å; G315-T319 PolarHBondContact O-N 3.16Å; G315-T319 PolarHBondContact O-OG1 3.27Å
316	S	51	Low	68.6	Low	72 Å²	72	80.7 Å²	80.7	50%	0.503	42%	0.418	S	S	.	.	H	α-helix	trans	-72.3	-25.7	175	-56.5	0	0	0	0	113.5	L312 K313 F314	L312-S316 WeakPolarHBondContact O-CB 3.45Å; L312-S316 PolarHBondContact O-N 2.87Å; L312-S316 VanDerWaalsContact O-N 3.16Å; L312-S316 PolarHBondContact O-OG 3.43Å; K313-S316 PolarHBondContact O-N 2.64Å; F314-S316 VanDerWaalsContact C-N 3.26Å; F314-S316 PolarHBondContact O-N 2.99Å
317	S	49	Very low	67	Low	56 Å²	56	88 Å²	88	39%	0.392	44%	0.44	S	S	.	.	H	α-helix	trans	-76.7	-50.2	176.4	-151.5	0	0	0	0	110.8	K313 F314 T319 A320 E321	K313-S317 PolarHBondContact O-N 3.11Å; F314-S317 PolarHBondContact O-N 3.21Å; F314-S317 VanDerWaalsContact O-N 3.15Å; S317-T319 PolarHBondContact O-N 3.49Å; S317-A320 WeakPolarHBondContact O-CA 3.39Å; S317-A320 WeakPolarHBondContact O-CB 3.34Å; S317-A320 PolarHBondContact O-N 2.92Å; S317-E321 WeakPolarHBondContact CB-OE1 3.2Å; S317-E321 WeakPolarHBondContact O-CG 3.47Å; S317-E321 PolarHBondContact O-N 3.04Å; S317-E321 PolarHBondContact OG-OE1 2.92Å
318	R	48.5	Very low	65.3	Low	175 Å²	175	95.5 Å²	95.5	66%	0.66	47%	0.468	S	S	*	.	H	α-helix	trans	-56.8	-47.6	178.5	-69.3	-175.8	176.7	-178.7	-2.2	112.4	F314 A320 E321 D322	F314-R318 PolarHBondContact O-N 3.45Å; R318-A320 PolarHBondContact O-N 2.93Å; R318-A320 VanDerWaalsContact O-N 3.13Å; R318-E321 PolarHBondContact O-N 2.73Å; R318-E321 VanDerWaalsContact O-N 3.1Å; R318-D322 WeakPolarHBondContact O-CB 3.39Å; R318-D322 VanDerWaalsContact O-CG 3.31Å; R318-D322 PolarHBondContact O-N 3.12Å; R318-D322 VanDerWaalsContact O-OD2 3.11Å
319	T	51.5	Low	63.5	Low	88 Å²	88	99.2 Å²	99.2	54%	0.54	49%	0.485	S	S	.	.	H	α-helix	trans	-67.8	-11.1	176.8	50	0	0	0	0	114.8	G315 S317	G315-T319 PolarHBondContact O-N 3.16Å; G315-T319 PolarHBondContact O-OG1 3.27Å; S317-T319 PolarHBondContact O-N 3.49Å
320	A	53.7	Low	61.5	Low	56 Å²	56	100.8 Å²	100.8	46%	0.463	50%	0.503	S	S	.	.	H	α-helix	trans	-90.3	-40.8	167.7	0	0	0	0	0	111.7	S317 R318 G323 E324	S317-A320 WeakPolarHBondContact O-CA 3.39Å; S317-A320 WeakPolarHBondContact O-CB 3.34Å; S317-A320 PolarHBondContact O-N 2.92Å; R318-A320 PolarHBondContact O-N 2.93Å; R318-A320 VanDerWaalsContact O-N 3.13Å; A320-G323 PolarHBondContact O-N 3.18Å; A320-E324 PolarHBondContact O-N 3.38Å
321	E	53.7	Low	59.6	Low	109 Å²	109	105.5 Å²	105.5	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-64.2	-48.7	176.4	-70.7	153.8	-140.1	0	0	111.6	S317 R318 G323 E324 R325	S317-E321 WeakPolarHBondContact CB-OE1 3.2Å; S317-E321 WeakPolarHBondContact O-CG 3.47Å; S317-E321 PolarHBondContact O-N 3.04Å; S317-E321 PolarHBondContact OG-OE1 2.92Å; R318-E321 PolarHBondContact O-N 2.73Å; R318-E321 VanDerWaalsContact O-N 3.1Å; E321-G323 PolarHBondContact O-N 3.38Å; E321-E324 PolarHBondContact O-N 2.98Å; E321-R325 WeakPolarHBondContact O-CB 3.29Å; E321-R325 PolarHBondContact O-N 3.16Å
322	D	56	Low	57.8	Low	84 Å²	84	106.4 Å²	106.4	45%	0.449	52%	0.524	S	S	.	.	H	α-helix	trans	-63.2	-41.4	175.9	-64	-39.6	0	0	0	111	R318 E324 R325 E326	R318-D322 WeakPolarHBondContact O-CB 3.39Å; R318-D322 VanDerWaalsContact O-CG 3.31Å; R318-D322 PolarHBondContact O-N 3.12Å; R318-D322 VanDerWaalsContact O-OD2 3.11Å; D322-E324 VanDerWaalsContact C-N 3.31Å; D322-E324 PolarHBondContact O-N 3.33Å; D322-R325 WeakPolarHBondContact O-CA 3.42Å; D322-R325 VanDerWaalsContact O-CB 3.31Å; D322-R325 WeakPolarHBondContact O-CB 3.29Å; D322-R325 PolarHBondContact O-N 2.85Å; D322-E326 PolarHBondContact O-N 3.34Å
323	G	58.4	Low	56.2	Low	27 Å²	27	105.6 Å²	105.6	28%	0.278	53%	0.531	S	S	.	.	H	α-helix	trans	-70	-21	175.8	0	0	0	0	0	114.6	A320 E321 R327	A320-G323 PolarHBondContact O-N 3.18Å; E321-G323 PolarHBondContact O-N 3.38Å; G323-R327 WeakPolarHBondContact O-CB 3.38Å; G323-R327 VanDerWaalsContact O-CD 3.29Å; G323-R327 WeakPolarHBondContact O-CD 3.32Å; G323-R327 WeakPolarHBondContact O-CG 3.49Å
324	E	59.4	Low	55	Low	110 Å²	110	107 Å²	107	51%	0.514	54%	0.539	S	S	.	.	H	α-helix	trans	-80.9	-29	165.5	-83.4	-162.3	-162.2	0	0	112.5	A320 E321 D322 R327 R328	A320-E324 PolarHBondContact O-N 3.38Å; E321-E324 PolarHBondContact O-N 2.98Å; D322-E324 VanDerWaalsContact C-N 3.31Å; D322-E324 PolarHBondContact O-N 3.33Å; E324-R327 PolarHBondContact O-N 2.84Å; E324-R328 WeakPolarHBondContact O-CG 3.36Å; E324-R328 PolarHBondContact O-N 3.29Å; E324-R328 IonicContact OE2-NH2 3.6Å; E324-R328 PolarHBondContact OE2-NH2 3.31Å
325	R	58.5	Low	54.3	Low	155 Å²	155	107.6 Å²	107.6	59%	0.585	55%	0.548	S	S	*	.	H	α-helix	trans	-71.4	-50.6	179.1	-164.2	177.3	-170.1	155.6	6.2	111.6	E321 D322 R327 R328 E329	E321-R325 WeakPolarHBondContact O-CB 3.29Å; E321-R325 PolarHBondContact O-N 3.16Å; D322-R325 WeakPolarHBondContact O-CA 3.42Å; D322-R325 VanDerWaalsContact O-CB 3.31Å; D322-R325 WeakPolarHBondContact O-CB 3.29Å; D322-R325 PolarHBondContact O-N 2.85Å; R325-R327 PolarHBondContact O-N 3.31Å; R325-R328 PolarHBondContact O-N 3.48Å; R325-E329 WeakPolarHBondContact CG-OE1 3.43Å; R325-E329 IonicContact NE-OE1 3.18Å; R325-E329 PolarHBondContact O-N 3.05Å
326	E	58.4	Low	54.1	Low	143 Å²	143	116.4 Å²	116.4	67%	0.668	57%	0.57	S	S	*	*	H	α-helix	trans	-55.4	-34	171	-69.3	-178.6	153.9	0	0	111.8	D322 G330	D322-E326 PolarHBondContact O-N 3.34Å; E326-G330 PolarHBondContact O-N 2.71Å
327	R	62.2	Low	53.7	Low	200 Å²	200	117.2 Å²	117.2	76%	0.755	58%	0.581	S	S	*	*	H	α-helix	trans	-76	-15	176.2	-80.9	179.3	165.3	-148.6	-8.6	115.2	G323 E324 R325	G323-R327 WeakPolarHBondContact O-CB 3.38Å; G323-R327 VanDerWaalsContact O-CD 3.29Å; G323-R327 WeakPolarHBondContact O-CD 3.32Å; G323-R327 WeakPolarHBondContact O-CG 3.49Å; E324-R327 PolarHBondContact O-N 2.84Å; R325-R327 PolarHBondContact O-N 3.31Å
328	R	60.9	Low	53.3	Low	159 Å²	159	118.2 Å²	118.2	60%	0.6	60%	0.6	S	S	*	*	H	α-helix	trans	-89	-51.1	170.7	-68.4	168.3	-159.7	-154.5	6.2	109.3	E324 R325 G330 K331 E332	E324-R328 WeakPolarHBondContact O-CG 3.36Å; E324-R328 PolarHBondContact O-N 3.29Å; E324-R328 IonicContact OE2-NH2 3.6Å; E324-R328 PolarHBondContact OE2-NH2 3.31Å; R325-R328 PolarHBondContact O-N 3.48Å; R328-G330 VanDerWaalsContact C-N 3.31Å; R328-G330 PolarHBondContact O-N 2.93Å; R328-K331 PolarHBondContact O-N 2.93Å; R328-E332 PolarHBondContact O-N 2.67Å; R328-E332 VanDerWaalsContact O-N 3.16Å
329	E	61	Low	53	Low	113 Å²	113	114.5 Å²	114.5	53%	0.528	61%	0.606	S	S	.	*	H	α-helix	trans	-60.2	-38.7	178.8	-66.8	171.3	-166.8	0	0	111.8	R325 K331 E332 G333	R325-E329 WeakPolarHBondContact CG-OE1 3.43Å; R325-E329 IonicContact NE-OE1 3.18Å; R325-E329 PolarHBondContact O-N 3.05Å; E329-K331 VanDerWaalsContact C-N 3.33Å; E329-K331 PolarHBondContact O-N 3.04Å; E329-E332 PolarHBondContact O-N 2.66Å; E329-G333 PolarHBondContact O-N 3.06Å; E329-G333 VanDerWaalsContact O-N 3.12Å
330	G	54.8	Low	52	Low	40 Å²	40	114.4 Å²	114.4	41%	0.412	62%	0.623	S	S	.	*	H	α-helix	trans	-64.1	-30.8	174.2	0	0	0	0	0	114.7	E326 R328 E334	E326-G330 PolarHBondContact O-N 2.71Å; R328-G330 VanDerWaalsContact C-N 3.31Å; R328-G330 PolarHBondContact O-N 2.93Å; G330-E334 PolarHBondContact O-N 3.43Å
331	K	55.1	Low	51.2	Low	147 Å²	147	120.1 Å²	120.1	64%	0.639	64%	0.64	S	S	*	*	H	α-helix	trans	-76.2	-41	176	-77.8	-172	166.6	-158.6	0	112.3	R328 E329 G333 E334 D335	R328-K331 PolarHBondContact O-N 2.93Å; E329-K331 VanDerWaalsContact C-N 3.33Å; E329-K331 PolarHBondContact O-N 3.04Å; K331-G333 PolarHBondContact O-N 3.23Å; K331-E334 PolarHBondContact O-N 2.89Å; K331-D335 PolarHBondContact O-N 2.94Å
332	E	50.6	Low	50.1	Low	141 Å²	141	126.4 Å²	126.4	66%	0.659	66%	0.659	S	S	*	*	H	α-helix	trans	-65.1	-20.2	174.2	-66.2	179.4	-168.1	0	0	112.3	R328 E329	R328-E332 PolarHBondContact O-N 2.67Å; R328-E332 VanDerWaalsContact O-N 3.16Å; E329-E332 PolarHBondContact O-N 2.66Å
333	G	50.2	Low	48.9	Very low	43 Å²	43	126.4 Å²	126.4	44%	0.443	68%	0.678	S	S	.	*	H	α-helix	trans	-73.5	-45.5	169.4	0	0	0	0	0	114.4	E329 K331 R336	E329-G333 PolarHBondContact O-N 3.06Å; E329-G333 VanDerWaalsContact O-N 3.12Å; K331-G333 PolarHBondContact O-N 3.23Å; G333-R336 PolarHBondContact O-N 3.42Å
334	E	48.6	Very low	47.5	Very low	151 Å²	151	130.4 Å²	130.4	71%	0.706	71%	0.709	S	S	*	*	H	α-helix	trans	-66.9	-41.9	-177.8	-71.7	-173.3	126.6	0	0	112.3	G330 K331 R336 A337	G330-E334 PolarHBondContact O-N 3.43Å; K331-E334 PolarHBondContact O-N 2.89Å; E334-R336 PolarHBondContact O-N 3.08Å; E334-R336 VanDerWaalsContact O-N 3.11Å; E334-A337 PolarHBondContact O-N 2.9Å
335	D	46	Very low	46	Very low	151 Å²	151	129.4 Å²	129.4	81%	0.807	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-16.5	178.1	-77.3	-27.8	0	0	0	113.6	K331	K331-D335 PolarHBondContact O-N 2.94Å
336	R	47.8	Very low	44.6	Very low	225 Å²	225	125.9 Å²	125.9	85%	0.849	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-13.6	174.6	-80.9	-177.5	166.8	175.6	-1	114.6	G333 E334 G338	G333-R336 PolarHBondContact O-N 3.42Å; E334-R336 PolarHBondContact O-N 3.08Å; E334-R336 VanDerWaalsContact O-N 3.11Å; R336-G338 VanDerWaalsContact C-N 3.34Å
337	A	43.7	Very low	43.3	Very low	89 Å²	89	131.1 Å²	131.1	74%	0.736	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-10.4	-177.9	0	0	0	0	0	114	E334	E334-A337 PolarHBondContact O-N 2.9Å
338	G	40.8	Very low	41.7	Very low	77 Å²	77	125.6 Å²	125.6	79%	0.794	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-5.7	-171.1	0	0	0	0	0	117.3	R336	R336-G338 VanDerWaalsContact C-N 3.34Å
339	A	40.5	Very low	40.1	Very low	97 Å²	97	125.8 Å²	125.8	80%	0.802	76%	0.763	S	S	*	*	S	Bend	trans	-135.3	107.8	-169.3	0	0	0	0	0	114
340	G	31.8	Very low	39.6	Very low	85 Å²	85	125.8 Å²	125.8	88%	0.876	77%	0.772	S	S	*	*			trans	143.6	94	166.9	0	0	0	0	0	114.8
341	Q	36.4	Very low	39.4	Very low	176 Å²	176	129.6 Å²	129.6	82%	0.822	79%	0.79	S	S	*	*			trans	-139.8	123.5	172.9	-174	-169.9	83	0	0	110.9
342	R	31.3	Very low	38.1	Very low	242 Å²	242	126.2 Å²	126.2	91%	0.913	80%	0.797	S	S	*	*			trans	144.2	141	154.9	-81	158.7	-173.7	-144.9	1.2	111.7
343	G	29.7	Very low	37.9	Very low	83 Å²	83	125.9 Å²	125.9	86%	0.856	81%	0.807	S	S	*	*			trans	148.8	125.1	172.4	0	0	0	0	0	112
344	A	30.3	Very low	37.2	Very low	111 Å²	111	131.2 Å²	131.2	92%	0.917	83%	0.825	S	S	*	*			trans	-123.8	153.3	-162.6	0	0	0	0	0	115.5
345	G	27.8	Very low	37.1	Very low	89 Å²	89	129.6 Å²	129.6	92%	0.918	83%	0.828	S	S	*	*			trans	95.3	139.2	142.8	0	0	0	0	0	119.4
346	G	29.6	Very low	36.2	Very low	81 Å²	81	128.4 Å²	128.4	84%	0.835	83%	0.83	S	S	*	*			trans	165.3	152.9	169.8	0	0	0	0	0	114.4
347	R	29.4	Very low	35.4	Very low	253 Å²	253	122.3 Å²	122.3	96%	0.955	83%	0.828	S	S	*	*			trans	-138.5	128.6	-176.9	-96.9	179.9	164.3	-179.5	-5.3	113.9
348	A	28.6	Very low	34.8	Very low	84 Å²	84	123 Å²	123	69%	0.694	83%	0.833	S	S	*	*			trans	41.4	122.6	137.9	0	0	0	0	0	125.4
349	L	28.4	Very low	34.4	Very low	163 Å²	163	126.8 Å²	126.8	85%	0.853	84%	0.835	S	S	*	*			trans	69	170.4	131.6	-61.1	172.6	0	0	0	120.6
350	P	49.2	Very low	33.9	Very low	113 Å²	113	133.8 Å²	133.8	73%	0.734	84%	0.841	S	S	*	*				-132.2	-139	-60.7	40.6	-21.1	0	0	0	111.8
351	P	51.1	Low	34	Very low	121 Å²	121	135.5 Å²	135.5	79%	0.786	83%	0.834	S	S	*	*				-127	164.3	-62.3	33.3	-14.3	0	0	0	118
352	G	28	Very low	33.7	Very low	75 Å²	75	138 Å²	138	77%	0.773	84%	0.836	S	S	*	*			trans	79.8	176	148.6	0	0	0	0	0	119.9
353	P	46.5	Very low	33.7	Very low	135 Å²	135	133 Å²	133	88%	0.877	83%	0.827	S	S	*	*			cis	-130.9	-168.3	-6.9	43.5	-26.5	0	0	0	115.9
354	N	35.3	Very low	33.8	Very low	155 Å²	155	136.7 Å²	136.7	83%	0.829	82%	0.823	S	S	*	*			trans	-83.3	161.9	-179.6	-109.2	-1.4	0	0	0	114
355	P	46.1	Very low	34.6	Very low	116 Å²	116	137.1 Å²	137.1	75%	0.753	82%	0.816	S	S	*	*				-157	167.3	88.1	41.9	-22.1	0	0	0	119.7
356	C	28.6	Very low	34.8	Very low	127 Å²	127	140.6 Å²	140.6	86%	0.858	81%	0.808	S	S	*	*			trans	21.8	160.4	142.7	-58.6	0	0	0	0	124.2
357	A	30.1	Very low	34.8	Very low	97 Å²	97	143.8 Å²	143.8	80%	0.802	81%	0.812	S	S	*	*			cis	-179.7	153.8	-23.6	0	0	0	0	0	109.8
358	A	32.4	Very low	34.8	Very low	103 Å²	103	136 Å²	136	85%	0.851	80%	0.802	S	S	*	*			trans	-158.5	153	168.3	0	0	0	0	0	113.7
359	N	30.8	Very low	35.7	Very low	156 Å²	156	137.3 Å²	137.3	83%	0.834	80%	0.803	S	S	*	*			trans	-114.9	146.6	-170.5	-75.4	-42.6	0	0	0	115.1
360	R	30.9	Very low	36	Very low	244 Å²	244	134.4 Å²	134.4	92%	0.921	80%	0.796	S	S	*	*			trans	-175.5	114	133.7	-104.1	170.5	169.1	169.6	-2.8	108.9
361	V	33	Very low	35.2	Very low	121 Å²	121	135 Å²	135	73%	0.733	79%	0.793	S	S	*	*				95.5	104.1	52.6	168.1	0	0	0	0	112.9
362	R	31.2	Very low	34.2	Very low	228 Å²	228	137.5 Å²	137.5	86%	0.86	79%	0.794	S	S	*	*			trans	55.1	145.7	145.9	-88.6	178	175.7	176.2	-2.2	120
363	N	30.7	Very low	34.3	Very low	137 Å²	137	138.3 Å²	138.3	73%	0.733	79%	0.794	S	S	*	*			cis	-150.1	161.2	29.7	-94.8	-28.6	0	0	0	112.9
364	E	32.3	Very low	33.6	Very low	162 Å²	162	136 Å²	136	76%	0.757	78%	0.781	S	S	*	*			trans	-114.9	-179.1	146.8	-60.6	-165.2	160.3	0	0	109
365	P	46.7	Very low	33.3	Very low	120 Å²	120	140.6 Å²	140.6	78%	0.779	79%	0.787	S	S	*	*				-142.2	144.4	79.2	36.9	-19.8	0	0	0	117.1
366	E	31.4	Very low	32.4	Very low	161 Å²	161	138.5 Å²	138.5	75%	0.752	79%	0.786	S	S	*	*			trans	15.2	136.7	140.7	-56	-175.1	117.7	0	0	121.9
367	T	29.7	Very low	32.4	Very low	149 Å²	149	137.6 Å²	137.6	91%	0.914	79%	0.788	S	S	*	*				-162.6	142.1	107.6	10.9	0	0	0	0	112.6
368	A	30.9	Very low	32.3	Very low	90 Å²	90	142 Å²	142	74%	0.744	79%	0.792	S	S	*	*			trans	-130.6	179.5	170.5	0	0	0	0	0	108.4
369	P	46.9	Very low	32.9	Very low	111 Å²	111	142.4 Å²	142.4	72%	0.721	79%	0.786	S	S	*	*				-154.9	173	70.3	41.5	-21.5	0	0	0	117.7
370	S	34.4	Very low	32.8	Very low	101 Å²	101	141.1 Å²	141.1	71%	0.706	79%	0.789	S	S	*	*			trans	71.7	145.8	149	75.8	0	0	0	0	119.3
371	N	31.3	Very low	32.6	Very low	127 Å²	127	133.1 Å²	133.1	68%	0.679	78%	0.783	S	S	*	*			cis	-151.3	144.6	-3.4	-125.9	-8	0	0	0	114
372	Q	30.3	Very low	32.3	Very low	172 Å²	172	135.5 Å²	135.5	80%	0.804	79%	0.791	S	S	*	*			trans	19.9	149	138.1	-64.3	176.5	41.8	0	0	121.7
373	A	30.5	Very low	32.2	Very low	93 Å²	93	135.6 Å²	135.6	77%	0.769	79%	0.792	S	S	*	*			cis	-174.8	-160.3	-13.9	0	0	0	0	0	106.9
374	S	31.3	Very low	32.3	Very low	86 Å²	86	134.3 Å²	134.3	60%	0.601	79%	0.793	S	S	*	*			cis	-160.6	149.8	-3.7	74.5	0	0	0	0	110.7
375	R	30.1	Very low	32.4	Very low	251 Å²	251	132.7 Å²	132.7	95%	0.947	80%	0.797	S	S	*	*			trans	64.7	150.3	158.5	-57.1	161	-178.2	-178.2	0.8	116.8
376	G	26.3	Very low	31.8	Very low	72 Å²	72	135.6 Å²	135.6	74%	0.742	80%	0.8	S	S	*	*			cis	169.8	175	-7.8	0	0	0	0	0	112.8
377	A	28.8	Very low	31.9	Very low	109 Å²	109	131.6 Å²	131.6	90%	0.901	79%	0.794	S	S	*	*			trans	76.8	125.2	167.6	0	0	0	0	0	121.5
378	Q	28	Very low	32.1	Very low	188 Å²	188	127 Å²	127	88%	0.879	78%	0.777	S	S	*	*			trans	-141.2	174.7	150.1	-86.8	-162.7	1.6	0	0	105.6
379	P	46.4	Very low	32.4	Very low	112 Å²	112	133.6 Å²	133.6	73%	0.727	78%	0.783	S	S	*	*			cis	-128.7	171.8	-4.7	40.1	-25.3	0	0	0	114.3
380	S	27.4	Very low	32	Very low	129 Å²	129	131.6 Å²	131.6	90%	0.902	78%	0.776	S	S	*	*			trans	-171.3	153.9	134.7	37.7	0	0	0	0	108.6
381	G	26.2	Very low	32.2	Very low	77 Å²	77	133.6 Å²	133.6	79%	0.794	77%	0.774	S	S	*	*			trans	-124.6	170.4	-167.2	0	0	0	0	0	114.2
382	N	27	Very low	32.5	Very low	170 Å²	170	135.7 Å²	135.7	91%	0.909	77%	0.772	S	S	*	*			trans	-147.4	152.5	160.5	-141.7	-18.8	0	0	0	110.9
383	R	29.4	Very low	33	Very low	231 Å²	231	130.2 Å²	130.2	87%	0.872	76%	0.757	S	S	*	*			trans	-98.1	141.2	-172.8	-71.2	178.5	170	-175	-3.1	112
384	S	33.5	Very low	33.4	Very low	109 Å²	109	130.7 Å²	130.7	76%	0.762	74%	0.743	S	S	*	*			trans	43.8	134.5	140.3	-60.4	0	0	0	0	120.1
385	P	34	Very low	33.7	Very low	128 Å²	128	136 Å²	136	83%	0.831	75%	0.75	S	S	*	*				-150.1	118.3	73.1	35.4	-14.9	0	0	0	116.5
386	Q	33.3	Very low	34.1	Very low	182 Å²	182	129.2 Å²	129.2	85%	0.85	73%	0.729	S	S	*	*			trans	-111.9	-16.5	166	-87	-174.2	-11.5	0	0	115	G388 R389	Q386-G388 PolarHBondContact O-N 3.3Å; Q386-R389 PolarHBondContact O-N 3.35Å
387	A	34.5	Very low	34.9	Very low	76 Å²	76	132.3 Å²	132.3	63%	0.628	72%	0.718	S	S	*	*	H	α-helix	trans	-55.9	-44.9	-173.5	0	0	0	0	0	114.3	R389 A390	A387-R389 PolarHBondContact O-N 3.15Å; A387-A390 PolarHBondContact O-N 2.89Å
388	G	32.7	Very low	35.2	Very low	54 Å²	54	133.1 Å²	133.1	56%	0.557	70%	0.701	S	S	*	*	H	α-helix	trans	-65.4	-7.6	-171.6	0	0	0	0	0	116.8	Q386	Q386-G388 PolarHBondContact O-N 3.3Å
389	R	38.8	Very low	35.5	Very low	227 Å²	227	127.9 Å²	127.9	86%	0.857	68%	0.682	S	S	*	*	H	α-helix	trans	-85.6	-30	171.4	-81.7	-170.8	173.7	-169.7	-0.8	113.3	Q386 A387 A393	Q386-R389 PolarHBondContact O-N 3.35Å; A387-R389 PolarHBondContact O-N 3.15Å; R389-A393 PolarHBondContact O-N 3.03Å
390	A	38.6	Very low	34.9	Very low	70 Å²	70	125.7 Å²	125.7	58%	0.579	67%	0.673	S	S	*	*	H	α-helix	trans	-72.5	-51.5	-178.8	0	0	0	0	0	111.3	A387 R392 A393 E394	A387-A390 PolarHBondContact O-N 2.89Å; A390-R392 VanDerWaalsContact C-N 3.26Å; A390-R392 PolarHBondContact O-N 3.31Å; A390-A393 PolarHBondContact O-N 3.12Å; A390-E394 PolarHBondContact O-N 2.98Å; A390-E394 VanDerWaalsContact O-N 3.08Å
391	E	38.1	Very low	35.4	Very low	142 Å²	142	126.5 Å²	126.5	66%	0.664	67%	0.665	S	S	*	*	H	α-helix	trans	-57.4	-38.4	177.9	-70.9	-173.1	96.2	0	0	112.7	E394 R395	E391-E394 PolarHBondContact O-N 3.42Å; E391-R395 WeakPolarHBondContact O-CB 3.49Å; E391-R395 PolarHBondContact O-N 2.84Å
392	R	36.7	Very low	36	Very low	171 Å²	171	133.9 Å²	133.9	65%	0.645	67%	0.669	S	S	*	*	H	α-helix	trans	-62.7	-47.1	178.9	-178.7	171.7	176.5	161.5	1.3	111.7	A390 E394 R395 E396	A390-R392 VanDerWaalsContact C-N 3.26Å; A390-R392 PolarHBondContact O-N 3.31Å; R392-E394 VanDerWaalsContact C-N 3.29Å; R392-E394 PolarHBondContact O-N 3.31Å; R392-R395 PolarHBondContact O-N 3.2Å; R392-E396 WeakPolarHBondContact CG-OE1 3.33Å; R392-E396 IonicContact CZ-OE1 3.73Å; R392-E396 IonicContact NE-OE1 2.89Å; R392-E396 PolarHBondContact NE-OE1 2.89Å; R392-E396 IonicContact NH2-OE1 3.65Å; R392-E396 WeakPolarHBondContact O-CG 3.45Å; R392-E396 PolarHBondContact O-N 3Å
393	A	40.5	Very low	36.1	Very low	58 Å²	58	131.4 Å²	131.4	48%	0.479	66%	0.655	S	S	.	*	H	α-helix	trans	-62.8	-36.2	176.7	0	0	0	0	0	111.9	R389 A390 R397	R389-A393 PolarHBondContact O-N 3.03Å; A390-A393 PolarHBondContact O-N 3.12Å; A393-R397 WeakPolarHBondContact O-CB 3.46Å; A393-R397 PolarHBondContact O-N 2.78Å
394	E	39.5	Very low	36.5	Very low	102 Å²	102	129.4 Å²	129.4	48%	0.477	66%	0.655	S	S	.	*	H	α-helix	trans	-73.5	-36.4	176.4	-164.5	176.8	137.9	0	0	113	A390 E391 R392 R397 K398	A390-E394 PolarHBondContact O-N 2.98Å; A390-E394 VanDerWaalsContact O-N 3.08Å; E391-E394 PolarHBondContact O-N 3.42Å; R392-E394 VanDerWaalsContact C-N 3.29Å; R392-E394 PolarHBondContact O-N 3.31Å; E394-R397 WeakPolarHBondContact O-CB 3.31Å; E394-R397 PolarHBondContact O-N 3Å; E394-K398 HydrophobicContact CG-CD 4.34Å; E394-K398 PolarHBondContact O-N 3.46Å; E394-K398 WeakPolarHBondContact OE1-CE 3.5Å; E394-K398 IonicContact OE1-NZ 2.69Å; E394-K398 PolarHBondContact OE1-NZ 2.94Å
395	R	37	Very low	36.5	Very low	198 Å²	198	135.5 Å²	135.5	75%	0.747	66%	0.661	S	S	*	*	H	α-helix	trans	-61.3	-45.7	172.1	-120.4	174.1	176	166	-1.1	111	E391 R392 R397 K398 V399	E391-R395 WeakPolarHBondContact O-CB 3.49Å; E391-R395 PolarHBondContact O-N 2.84Å; R392-R395 PolarHBondContact O-N 3.2Å; R395-R397 VanDerWaalsContact C-N 3.3Å; R395-R397 PolarHBondContact O-N 3.23Å; R395-K398 PolarHBondContact O-N 3.29Å; R395-V399 WeakPolarHBondContact O-CB 3.28Å; R395-V399 VanDerWaalsContact O-CG2 3.27Å; R395-V399 WeakPolarHBondContact O-CG2 3.4Å; R395-V399 PolarHBondContact O-N 3.11Å
396	E	39.2	Very low	36.7	Very low	108 Å²	108	133.5 Å²	133.5	51%	0.505	66%	0.664	S	S	.	*	H	α-helix	trans	-60.3	-40.1	174.7	-70.9	167.5	-169.8	0	0	110.8	R392 V399 A400	R392-E396 WeakPolarHBondContact CG-OE1 3.33Å; R392-E396 IonicContact CZ-OE1 3.73Å; R392-E396 IonicContact NE-OE1 2.89Å; R392-E396 PolarHBondContact NE-OE1 2.89Å; R392-E396 IonicContact NH2-OE1 3.65Å; R392-E396 WeakPolarHBondContact O-CG 3.45Å; R392-E396 PolarHBondContact O-N 3Å; E396-V399 PolarHBondContact O-N 3.15Å; E396-A400 PolarHBondContact O-N 3.28Å
397	R	43.1	Very low	36.5	Very low	138 Å²	138	129.3 Å²	129.3	52%	0.521	66%	0.661	S	S	.	*	H	α-helix	trans	-64.9	-39.2	174.7	-161.2	177	-164.9	164.7	8.1	113.9	A393 E394 R395	A393-R397 WeakPolarHBondContact O-CB 3.46Å; A393-R397 PolarHBondContact O-N 2.78Å; E394-R397 WeakPolarHBondContact O-CB 3.31Å; E394-R397 PolarHBondContact O-N 3Å; R395-R397 VanDerWaalsContact C-N 3.3Å; R395-R397 PolarHBondContact O-N 3.23Å
398	K	36.3	Very low	36.3	Very low	125 Å²	125	131.8 Å²	131.8	54%	0.543	67%	0.67	S	S	.	*	H	α-helix	trans	-77.8	-29.1	178.2	-79.3	171.6	171.1	165.2	0	112.9	E394 R395	E394-K398 HydrophobicContact CG-CD 4.34Å; E394-K398 PolarHBondContact O-N 3.46Å; E394-K398 WeakPolarHBondContact OE1-CE 3.5Å; E394-K398 IonicContact OE1-NZ 2.69Å; E394-K398 PolarHBondContact OE1-NZ 2.94Å; R395-K398 PolarHBondContact O-N 3.29Å
399	V	32.5	Very low	36.3	Very low	78 Å²	78	133.8 Å²	133.8	47%	0.473	68%	0.682	S	S	.	*	H	α-helix	trans	-72.1	-39.1	175.2	169	0	0	0	0	112.1	R395 E396 M401 R402 L403	R395-V399 WeakPolarHBondContact O-CB 3.28Å; R395-V399 VanDerWaalsContact O-CG2 3.27Å; R395-V399 WeakPolarHBondContact O-CG2 3.4Å; R395-V399 PolarHBondContact O-N 3.11Å; E396-V399 PolarHBondContact O-N 3.15Å; V399-M401 PolarHBondContact O-N 3.26Å; V399-M401 VanDerWaalsContact O-N 3.09Å; V399-R402 PolarHBondContact O-N 3.2Å; V399-L403 HydrophobicContact CG1-CD1 3.98Å; V399-L403 PolarHBondContact O-N 3.44Å
400	A	33.6	Very low	35.8	Very low	66 Å²	66	131 Å²	131	55%	0.545	68%	0.684	S	S	.	*	H	α-helix	trans	-55.3	-29.7	179.7	0	0	0	0	0	114	E396	E396-A400 PolarHBondContact O-N 3.28Å
401	M	39.4	Very low	35.4	Very low	147 Å²	147	134.5 Å²	134.5	72%	0.724	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	0.6	179.7	-66.4	-70.1	-79.6	0	0	114.5	V399	V399-M401 PolarHBondContact O-N 3.26Å; V399-M401 VanDerWaalsContact O-N 3.09Å
402	R	38.3	Very low	35	Very low	232 Å²	232	132.1 Å²	132.1	88%	0.875	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	-5.5	179.1	-89.6	-174.7	172.9	172.3	-0.4	115.8	V399	V399-R402 PolarHBondContact O-N 3.2Å
403	L	30	Very low	34.8	Very low	117 Å²	117	129.6 Å²	129.6	61%	0.613	71%	0.705	S	S	*	*			trans	-118.9	99.9	173	-73	178.6	0	0	0	112.6	V399	V399-L403 HydrophobicContact CG1-CD1 3.98Å; V399-L403 PolarHBondContact O-N 3.44Å
404	H	36.2	Very low	34.8	Very low	189 Å²	189	131.3 Å²	131.3	88%	0.875	71%	0.714	S	S	*	*			trans	-125.6	50.4	155.7	-95.5	46.2	0	0	0	110.1
405	R	35.2	Very low	34.2	Very low	237 Å²	237	133.4 Å²	133.4	89%	0.894	73%	0.728	S	S	*	*	S	Bend	trans	-118.4	109.3	162.3	-90.1	-172.3	171	-177.7	-0.8	108.7
406	G	37.3	Very low	33.9	Very low	86 Å²	86	130.7 Å²	130.7	89%	0.887	73%	0.728	S	S	*	*	S	Bend	trans	64.4	76.6	156.6	0	0	0	0	0	118.2
407	A	29.8	Very low	33.8	Very low	95 Å²	95	132.1 Å²	132.1	79%	0.785	74%	0.744	S	S	*	*			trans	-146.2	150.4	154.6	0	0	0	0	0	108.8
408	P	30.3	Very low	33.4	Very low	128 Å²	128	128.2 Å²	128.2	83%	0.831	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-74	152.4	-168.5	29.4	-35.5	0	0	0	113.5	N410	P408-N410 PolarHBondContact O-N 3.05Å
409	A	31.9	Very low	33.2	Very low	96 Å²	96	134.1 Å²	134.1	79%	0.793	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-71.6	125.3	175.9	0	0	0	0	0	111.2
410	N	28.5	Very low	33.1	Very low	168 Å²	168	138.1 Å²	138.1	90%	0.898	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-68.9	135.7	165.1	-102.1	-29.1	0	0	0	109.6	P408 S412	P408-N410 PolarHBondContact O-N 3.05Å; N410-S412 PolarHBondContact O-N 2.99Å; N410-S412 VanDerWaalsContact O-N 3.16Å
411	V	29.7	Very low	32.9	Very low	144 Å²	144	141.3 Å²	141.3	87%	0.873	79%	0.786	S	S	*	*			trans	-67.5	112.2	-166	-178.9	0	0	0	0	111.8
412	S	30.6	Very low	32.5	Very low	91 Å²	91	143.5 Å²	143.5	64%	0.636	79%	0.794	S	S	*	*			trans	-76.7	141.8	163.9	-171	0	0	0	0	109.9	N410 S414	N410-S412 PolarHBondContact O-N 2.99Å; N410-S412 VanDerWaalsContact O-N 3.16Å; S412-S414 PolarHBondContact O-N 3.47Å
413	S	32.2	Very low	32.1	Very low	119 Å²	119	138 Å²	138	83%	0.832	79%	0.791	S	S	*	*	S	Bend	trans	-82.6	59.1	-172.1	72	0	0	0	0	113
414	S	39.7	Very low	32.2	Very low	94 Å²	94	143.2 Å²	143.2	66%	0.657	80%	0.803	S	S	*	*			trans	-126.6	61.2	-177.7	59.9	0	0	0	0	111.2	S412	S412-S414 PolarHBondContact O-N 3.47Å
415	D	28.1	Very low	31.9	Very low	145 Å²	145	140.7 Å²	140.7	78%	0.775	80%	0.795	S	S	*	*			trans	-141.1	159.5	-180	-136.3	-35.2	0	0	0	112.8
416	L	30.2	Very low	31.5	Very low	142 Å²	142	136.4 Å²	136.4	74%	0.743	80%	0.795	S	S	*	*			trans	55.5	71.2	171.3	-57.4	178.1	0	0	0	118.3	A418	L416-A418 PolarHBondContact O-N 3.3Å; L416-A418 VanDerWaalsContact O-N 3.1Å
417	T	36.2	Very low	31.1	Very low	138 Å²	138	137 Å²	137	85%	0.847	79%	0.791	S	S	*	*			trans	-78.3	52.3	150	37.8	0	0	0	0	111.6
418	A	35.3	Very low	31.2	Very low	56 Å²	56	137.9 Å²	137.9	46%	0.463	79%	0.792	S	S	.	*			trans	-150.3	75.2	-172.3	0	0	0	0	0	114.3	L416	L416-A418 PolarHBondContact O-N 3.3Å; L416-A418 VanDerWaalsContact O-N 3.1Å
419	R	32.6	Very low	31.3	Very low	248 Å²	248	141.1 Å²	141.1	94%	0.936	80%	0.796	S	S	*	*			trans	176.7	102.4	148.5	-100.7	162.8	-169.4	-155.6	2.7	110.9
420	L	29.9	Very low	31.3	Very low	162 Å²	162	142.5 Å²	142.5	85%	0.848	79%	0.794	S	S	*	*			trans	177.9	131.4	157.2	-90.3	-175.6	0	0	0	104.7
421	D	30.5	Very low	31.3	Very low	134 Å²	134	140.1 Å²	140.1	72%	0.717	79%	0.791	S	S	*	*			cis	-149.8	165	-18.1	-150.9	-18.1	0	0	0	109.4
422	Q	30.3	Very low	31.5	Very low	193 Å²	193	139.2 Å²	139.2	90%	0.902	79%	0.785	S	S	*	*			trans	-125.3	93.8	169.9	-88.5	-164.5	-6.8	0	0	111.3
423	S	30.4	Very low	31.7	Very low	116 Å²	116	140.3 Å²	140.3	81%	0.811	79%	0.79	S	S	*	*			trans	-132.7	151.2	155.4	58.3	0	0	0	0	109
424	R	32.2	Very low	31.7	Very low	226 Å²	226	144.7 Å²	144.7	85%	0.853	80%	0.795	S	S	*	*			trans	-108.4	142.6	-159.1	-89.1	-178.8	168.3	-176.8	-3	112.7
425	I	29.6	Very low	31.5	Very low	137 Å²	137	148.7 Å²	148.7	70%	0.703	80%	0.803	S	S	*	*				45.2	116.1	126.9	-53.7	169.7	0	0	0	114.8
426	T	25.9	Very low	31.9	Very low	147 Å²	147	150.7 Å²	150.7	90%	0.902	81%	0.807	S	S	*	*				-137.9	134.2	81.6	33.3	0	0	0	0	115.8
427	A	29.8	Very low	32.1	Very low	97 Å²	97	152.1 Å²	152.1	80%	0.802	81%	0.814	S	S	*	*			trans	-133	127.5	155.6	0	0	0	0	0	106.9
428	S	30.8	Very low	32.1	Very low	115 Å²	115	149.5 Å²	149.5	80%	0.804	81%	0.807	S	S	*	*			trans	-75	150.6	-176.9	39.6	0	0	0	0	112
429	Q	32.6	Very low	32.3	Very low	195 Å²	195	160.3 Å²	160.3	91%	0.911	84%	0.844	S	S	*	*			trans	-71.4	127.5	170.8	-66.2	169.5	-39.5	0	0	109.9
430	V	31.4	Very low	32.3	Very low	126 Å²	126	156 Å²	156	76%	0.764	84%	0.839	S	S	*	*			trans	-135.1	109.9	152.6	-176.9	0	0	0	0	107.4	V432	V430-V432 HydrophobicContact CG1-CG2 4.22Å
431	S	29.3	Very low	32.5	Very low	118 Å²	118	155.6 Å²	155.6	83%	0.825	84%	0.838	S	S	*	*			trans	-91.3	130.4	171.6	50.7	0	0	0	0	109.9
432	V	34	Very low	32.6	Very low	124 Å²	124	156.8 Å²	156.8	75%	0.752	85%	0.845	S	S	*	*			trans	-127.4	134	167.9	-173.8	0	0	0	0	108	V430	V430-V432 HydrophobicContact CG1-CG2 4.22Å
433	P	35.6	Very low	32.7	Very low	115 Å²	115	154.7 Å²	154.7	75%	0.747	84%	0.842	S	S	*	*			trans	-74.3	161.6	-174.8	-15.8	31.4	0	0	0	113.9
434	F	30.5	Very low	32.8	Very low	211 Å²	211	157.1 Å²	157.1	93%	0.925	84%	0.844	S	S	*	*			trans	-83.5	126.2	160	-119.5	-100.4	0	0	0	108.5
435	E	35.9	Very low	32.9	Very low	178 Å²	178	152.5 Å²	152.5	83%	0.832	84%	0.843	S	S	*	*			trans	-113.8	152.6	165.3	-78.2	-162.3	139.3	0	0	111.4
436	H	37	Very low	33.1	Very low	187 Å²	187	153.6 Å²	153.6	87%	0.866	85%	0.853	S	S	*	*			trans	-71.6	145.4	174.9	-83.8	-104.4	0	0	0	111.4
437	L	34.1	Very low	33.7	Very low	171 Å²	171	154.2 Å²	154.2	90%	0.895	85%	0.849	S	S	*	*			trans	-152.3	135.5	135.7	-113.6	159.9	0	0	0	110
438	A	35.9	Very low	34	Very low	83 Å²	83	158.9 Å²	158.9	69%	0.686	85%	0.853	S	S	*	*			trans	-116.5	131	175.5	0	0	0	0	0	109.5
439	K	41.1	Very low	34.3	Very low	284 Å²	284	162.9 Å²	162.9	100%	1.235	86%	0.858	S	S	*	*			trans	-166.9	0	152.8	-109.2	168.2	-175.3	179.3	0	109.4

Retrieved 439 of 439 residues in 400.6 ms (Link to these results)

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