A0A077Z941_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077Z941, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 502 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	39.1	Very low	38.7	Very low	229 Å²	229	161.4 Å²	161.4	100%	1.128	88%	0.877	S	S	*	*				0	143.3	0	-58.1	-43	-171.7	0	0	109.9
2	P	39.9	Very low	38.3	Very low	129 Å²	129	163.4 Å²	163.4	84%	0.838	88%	0.877	S	S	*	*	P	Polyproline II helix	trans	-75.6	136.6	-167.6	29	-34.7	0	0	0	113.4
3	R	40.3	Very low	37.6	Very low	245 Å²	245	168.9 Å²	168.9	93%	0.925	88%	0.878	S	S	*	*	P	Polyproline II helix	trans	-75.4	125.4	170.2	-72.9	179.3	170.7	171.6	-3.5	110
4	G	38.6	Very low	37.2	Very low	81 Å²	81	171.4 Å²	171.4	84%	0.835	88%	0.878	S	S	*	*	P	Polyproline II helix	trans	-65.5	141.6	174	0	0	0	0	0	112.3
5	K	44.3	Very low	36.9	Very low	208 Å²	208	169.3 Å²	169.3	90%	0.904	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-98.2	125.1	168	-74.6	-172.9	174.6	-179.3	0	109.4
6	A	42.3	Very low	36.9	Very low	91 Å²	91	162.9 Å²	162.9	75%	0.752	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-63.1	145.2	176.1	0	0	0	0	0	111.5	L8	A6-L8 PolarHBondContact O-N 3.45Å
7	A	39.2	Very low	38	Very low	102 Å²	102	160.7 Å²	160.7	84%	0.843	84%	0.836	S	S	*	*			trans	-72.9	114.5	176.5	0	0	0	0	0	110.7	G9	A7-G9 PolarHBondContact O-N 3.41Å
8	L	40.4	Very low	39.3	Very low	168 Å²	168	153.3 Å²	153.3	88%	0.88	81%	0.806	S	S	*	*			trans	-66.1	125.8	168.3	-87.4	77.7	0	0	0	109.5	A6	A6-L8 PolarHBondContact O-N 3.45Å
9	G	35	Very low	41.1	Very low	70 Å²	70	149.9 Å²	149.9	72%	0.722	79%	0.792	S	S	*	*			trans	-59.6	138.6	177.4	0	0	0	0	0	112.4	A7 R11	A7-G9 PolarHBondContact O-N 3.41Å; G9-R11 PolarHBondContact O-N 3.41Å
10	K	34.7	Very low	42.8	Very low	210 Å²	210	142.6 Å²	142.6	91%	0.913	75%	0.753	S	S	*	*			trans	-67	94.6	177.2	-70.4	179	179.4	174.5	0	110.5	Q12	K10-Q12 PolarHBondContact O-N 3.3Å; K10-Q12 VanDerWaalsContact O-N 3.16Å
11	R	32.2	Very low	44.9	Very low	242 Å²	242	137.9 Å²	137.9	91%	0.913	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-52.3	119.2	160.5	-93.4	179.6	156.3	176.6	-7	108.6	G9 R13	G9-R11 PolarHBondContact O-N 3.41Å; R11-R13 PolarHBondContact O-N 3.14Å
12	Q	33.5	Very low	47.4	Very low	186 Å²	186	130.7 Å²	130.7	87%	0.869	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-59.4	132.2	166.5	-71.8	178.7	-14.2	0	0	108.6	K10 K14	K10-Q12 PolarHBondContact O-N 3.3Å; K10-Q12 VanDerWaalsContact O-N 3.16Å; Q12-K14 PolarHBondContact O-N 2.86Å
13	R	29.1	Very low	49.9	Very low	235 Å²	235	124.9 Å²	124.9	89%	0.887	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-67	124.8	164.5	-79.7	-176.6	166.5	-178	-6.1	107.3	R11 D15	R11-R13 PolarHBondContact O-N 3.14Å; R13-D15 VanDerWaalsContact C-N 3.27Å
14	K	32.9	Very low	52.5	Low	203 Å²	203	116 Å²	116	88%	0.883	64%	0.637	S	S	*	*	S	Bend	trans	-81.1	-11.5	178.9	-120.2	-178.7	178.6	-175.5	0	113	Q12	Q12-K14 PolarHBondContact O-N 2.86Å
15	D	31.6	Very low	55.2	Low	141 Å²	141	116.1 Å²	116.1	75%	0.754	62%	0.622	S	S	*	*	S	Bend	trans	-124.2	120.7	-174.7	-37	-79.1	0	0	0	109	R13	R13-D15 VanDerWaalsContact C-N 3.27Å
16	G	37.7	Very low	57.5	Low	66 Å²	66	112.2 Å²	112.2	68%	0.68	61%	0.611	S	S	*	*	S	Bend	trans	144.3	138.9	177.8	0	0	0	0	0	114.1	G18	G16-G18 PolarHBondContact O-N 3.4Å
17	Y	54.9	Low	60.1	Low	126 Å²	126	109.7 Å²	109.7	49%	0.494	58%	0.583	S	S	.	*			trans	-45.3	123.2	-179.8	-67.5	-97.5	0	0	0	113.1	F48 E395	Y17-F48 HydrophobicContact CD1-CD1 4Å; Y17-F48 AromaticContact CD1-CE1 3.81Å; Y17-F48 HydrophobicContact CD1-CE1 3.81Å; Y17-F48 HydrophobicContact CG-CD1 4.39Å; Y17-F48 HydrophobicContact CG-CE1 4.04Å; Y17-E395 VanDerWaalsContact CE2-OE1 3.3Å; Y17-E395 WeakPolarHBondContact CE2-OE1 3.33Å; Y17-E395 VanDerWaalsContact CZ-OE1 3.31Å; Y17-E395 PolarHBondContact OH-OE1 3.42Å
18	G	61.7	Low	62.8	Low	28 Å²	28	106.8 Å²	106.8	29%	0.289	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-82.6	125.5	176.5	0	0	0	0	0	111.3	G16 A20 N74	G16-G18 PolarHBondContact O-N 3.4Å; G18-A20 PolarHBondContact O-N 3.42Å; G18-N74 PolarHBondContact O-ND2 3.24Å; G18-N74 VanDerWaalsContact O-ND2 3.11Å
19	V	73.9	Confident	65.4	Low	89 Å²	89	98.8 Å²	98.8	54%	0.539	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-65.9	121	163.4	-176.5	0	0	0	0	107.5
20	A	75.5	Confident	68.3	Low	2 Å²	2	98.4 Å²	98.4	2%	0.017	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-61.8	122.2	173.9	0	0	0	0	0	109.7	G18 L71 Y123	G18-A20 PolarHBondContact O-N 3.42Å; A20-L71 HydrophobicContact CB-CD2 4.25Å; A20-L71 HydrophobicContact CB-CG 4.06Å; A20-Y123 HydrophobicContact CB-CD1 4.17Å; A20-Y123 HydrophobicContact CB-CE1 4.04Å
21	P	85.8	Confident	71.2	Confident	45 Å²	45	89.3 Å²	89.3	29%	0.292	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-66.5	145.4	174	31.3	-35.7	0	0	0	109.1	L23 Y123	P21-L23 PolarHBondContact O-N 2.86Å; P21-Y123 WeakPolarHBondContact CG-OH 3.37Å
22	P	91	Very high	74.1	Confident	77 Å²	77	82.1 Å²	82.1	50%	0.5	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-59.9	126.6	175.7	-26.7	36.3	0	0	0	112.3	L42 Y52	P22-L42 HydrophobicContact CB-CD2 4.08Å; P22-L42 HydrophobicContact CG-CD2 4.02Å; P22-Y52 WeakPolarHBondContact CA-OH 3.18Å; P22-Y52 WeakPolarHBondContact CB-OH 3.44Å
23	L	94.3	Very high	76.9	Confident	7 Å²	7	78 Å²	78	4%	0.037	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-70.1	153.9	162.6	-60.6	-172.5	0	0	0	110.9	P21 E27 L39 Y52 L69 F119 Y123	P21-L23 PolarHBondContact O-N 2.86Å; L23-E27 HydrophobicContact CB-CG 4.36Å; L23-E27 HydrophobicContact CD1-CG 4.18Å; L23-L39 HydrophobicContact CB-CD1 3.78Å; L23-L39 HydrophobicContact CD1-CD1 4.34Å; L23-Y52 PolarHBondContact N-OH 3.3Å; L23-Y52 WeakPolarHBondContact O-CE1 3.33Å; L23-Y52 PolarHBondContact O-OH 3.37Å; L23-L69 HydrophobicContact CD1-CD2 3.67Å; L23-L69 HydrophobicContact CG-CD2 4.33Å; L23-F119 HydrophobicContact CD2-CD2 4.06Å; L23-F119 HydrophobicContact CD2-CE2 4.33Å; L23-Y123 HydrophobicContact CD1-CD2 4.37Å; L23-Y123 HydrophobicContact CD1-CE2 4.47Å; L23-Y123 HydrophobicContact CD2-CD2 4.48Å; L23-Y123 HydrophobicContact CD2-CE1 4.21Å; L23-Y123 HydrophobicContact CD2-CE2 3.8Å; L23-Y123 HydrophobicContact CG-CE1 4.45Å
24	P	94.4	Very high	80	Confident	58 Å²	58	69.2 Å²	69.2	38%	0.377	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-70.1	161.7	-178.3	28.5	-34.5	0	0	0	112.9	E27 F119	P24-E27 HydrophobicContact CG-CB 4.25Å; P24-E27 VanDerWaalsContact O-CB 3.31Å; P24-E27 WeakPolarHBondContact O-CB 3.44Å; P24-E27 PolarHBondContact O-N 3.03Å; P24-F119 HydrophobicContact CG-CE2 4.35Å; P24-F119 HydrophobicContact CG-CZ 4.46Å
25	V	94.3	Very high	82.8	Confident	85 Å²	85	60.3 Å²	60.3	52%	0.515	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	144.3	168.1	-175.5	0	0	0	0	108.9	E27	V25-E27 PolarHBondContact O-N 2.88Å
26	N	93.8	Very high	85.9	Confident	125 Å²	125	60 Å²	60	67%	0.668	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	6.3	-172.4	-50.8	-41.4	0	0	0	116	V28 L39	N26-V28 PolarHBondContact O-N 2.96Å; N26-L39 PolarHBondContact N-O 3.23Å
27	E	95.6	Very high	88.6	Confident	39 Å²	39	57.3 Å²	57.3	18%	0.182	35%	0.354	C	S	.	.			trans	-55.7	131.8	163.4	-176.3	80.7	151.1	0	0	109.5	L23 P24 V25 L39 H116 S118	L23-E27 HydrophobicContact CB-CG 4.36Å; L23-E27 HydrophobicContact CD1-CG 4.18Å; P24-E27 HydrophobicContact CG-CB 4.25Å; P24-E27 VanDerWaalsContact O-CB 3.31Å; P24-E27 WeakPolarHBondContact O-CB 3.44Å; P24-E27 PolarHBondContact O-N 3.03Å; V25-E27 PolarHBondContact O-N 2.88Å; E27-L39 HydrophobicContact CB-CB 4.29Å; E27-L39 HydrophobicContact CB-CD1 3.96Å; E27-L39 HydrophobicContact CB-CG 4.13Å; E27-L39 HydrophobicContact CG-CD1 4.34Å; E27-L39 PolarHBondContact O-N 3.45Å; E27-H116 IonicContact OE1-CD2 2.72Å; E27-H116 IonicContact OE1-CE1 3.08Å; E27-H116 IonicContact OE1-NE2 3.15Å; E27-H116 PolarHBondContact OE1-NE2 2.8Å; E27-S118 WeakPolarHBondContact OE1-CB 3.39Å; E27-S118 PolarHBondContact OE1-OG 2.9Å
28	V	95.5	Very high	90.6	Very high	41 Å²	41	52.9 Å²	52.9	25%	0.248	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	110.5	-179	-177.4	0	0	0	0	110.3	N26 R36 W37 H116	N26-V28 PolarHBondContact O-N 2.96Å; V28-R36 HydrophobicContact CG1-CB 3.99Å; V28-W37 WeakPolarHBondContact CA-O 2.9Å; V28-H116 PolarHBondContact O-CE1 3.16Å; V28-H116 VanDerWaalsContact O-CE1 3.29Å
29	L	96.2	Very high	92.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	143.7	168.4	-49.7	-177.8	0	0	0	109.9	R36 W37 L39 A67 L69 H116 F125	L29-R36 WeakPolarHBondContact O-CA 3.42Å; L29-W37 HydrophobicContact CB-CB 4.42Å; L29-W37 PolarHBondContact N-O 3.07Å; L29-W37 PolarHBondContact O-N 3.27Å; L29-L39 HydrophobicContact CD1-CD2 3.75Å; L29-L39 HydrophobicContact CD2-CD2 4.48Å; L29-L39 HydrophobicContact CD2-CG 4.46Å; L29-L39 HydrophobicContact CG-CD2 4.02Å; L29-L39 HydrophobicContact CG-CG 4.29Å; L29-A67 HydrophobicContact CD1-CB 4.49Å; L29-L69 HydrophobicContact CD1-CD1 4.32Å; L29-L69 HydrophobicContact CD2-CD2 4.33Å; L29-H116 HydrophobicContact CD2-CB 3.85Å; L29-F125 HydrophobicContact CB-CD1 4.43Å; L29-F125 HydrophobicContact CB-CE1 3.95Å; L29-F125 HydrophobicContact CB-CE2 4.18Å; L29-F125 HydrophobicContact CB-CZ 3.79Å; L29-F125 HydrophobicContact CD1-CB 4.18Å; L29-F125 HydrophobicContact CD1-CD1 4.15Å; L29-F125 HydrophobicContact CD1-CD2 3.79Å; L29-F125 HydrophobicContact CD1-CE1 4.43Å; L29-F125 HydrophobicContact CD1-CE2 4.1Å; L29-F125 HydrophobicContact CD1-CG 3.8Å; L29-F125 HydrophobicContact CD1-CZ 4.39Å
30	V	95.9	Very high	93.2	Very high	61 Å²	61	48.5 Å²	48.5	37%	0.37	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.8	170.3	-173.8	0	0	0	0	108.5	G35 R36 F125	V30-G35 WeakPolarHBondContact CA-O 3.4Å; V30-R36 HydrophobicContact CG2-CG 4.46Å; V30-F125 WeakPolarHBondContact O-CE1 3.5Å; V30-F125 WeakPolarHBondContact O-CZ 3.17Å
31	D	95.6	Very high	94.1	Very high	19 Å²	19	57.3 Å²	57.3	10%	0.102	35%	0.347	C	S	.	.			trans	-83.4	172	-178.8	70.5	41.9	0	0	0	113.4	A33 G34 G35 W37 A112 F125	D31-A33 PolarHBondContact O-N 2.84Å; D31-A33 VanDerWaalsContact OD1-CA 3.3Å; D31-A33 WeakPolarHBondContact OD1-CA 3.3Å; D31-A33 WeakPolarHBondContact OD1-CB 3.29Å; D31-A33 PolarHBondContact OD1-N 3.43Å; D31-G34 PolarHBondContact O-N 3.1Å; D31-G34 PolarHBondContact OD1-N 3.01Å; D31-G34 VanDerWaalsContact OD1-N 3.09Å; D31-G35 PolarHBondContact N-O 2.73Å; D31-G35 PolarHBondContact OD1-N 3.09Å; D31-G35 VanDerWaalsContact OD2-CA 3.25Å; D31-G35 WeakPolarHBondContact OD2-CA 3.38Å; D31-W37 PolarHBondContact OD2-NE1 2.83Å; D31-A112 HydrophobicContact CB-CB 3.77Å; D31-A112 WeakPolarHBondContact OD2-CB 3.27Å; D31-F125 HydrophobicContact CB-CE2 4.22Å; D31-F125 HydrophobicContact CB-CZ 4.04Å
32	A	93.1	Very high	94.4	Very high	92 Å²	92	57.8 Å²	57.8	76%	0.76	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-8.9	-178.7	0	0	0	0	0	115	S113	A32-S113 PolarHBondContact N-O 3.2Å; A32-S113 VanDerWaalsContact N-O 3.1Å
33	A	92.6	Very high	94.5	Very high	99 Å²	99	58.1 Å²	58.1	82%	0.818	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	7.1	172.8	0	0	0	0	0	112.8	D31 G35	D31-A33 PolarHBondContact O-N 2.84Å; D31-A33 VanDerWaalsContact OD1-CA 3.3Å; D31-A33 WeakPolarHBondContact OD1-CA 3.3Å; D31-A33 WeakPolarHBondContact OD1-CB 3.29Å; D31-A33 PolarHBondContact OD1-N 3.43Å; A33-G35 VanDerWaalsContact C-N 3.34Å
34	G	93.3	Very high	94.2	Very high	50 Å²	50	59.7 Å²	59.7	52%	0.515	35%	0.354	S	S	.	.	S	Bend	trans	82.4	4.4	-178.2	0	0	0	0	0	114.8	D31	D31-G34 PolarHBondContact O-N 3.1Å; D31-G34 PolarHBondContact OD1-N 3.01Å; D31-G34 VanDerWaalsContact OD1-N 3.09Å
35	G	93.1	Very high	93.7	Very high	17 Å²	17	61.4 Å²	61.4	18%	0.175	36%	0.364	C	S	.	.			trans	-65.8	137.1	175	0	0	0	0	0	111.6	V30 D31 A33	V30-G35 WeakPolarHBondContact CA-O 3.4Å; D31-G35 PolarHBondContact N-O 2.73Å; D31-G35 PolarHBondContact OD1-N 3.09Å; D31-G35 VanDerWaalsContact OD2-CA 3.25Å; D31-G35 WeakPolarHBondContact OD2-CA 3.38Å; A33-G35 VanDerWaalsContact C-N 3.34Å
36	R	95.2	Very high	92.8	Very high	135 Å²	135	59.6 Å²	59.6	51%	0.509	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.8	-173.6	-64.4	180	67.1	94	-0	110.9	V28 L29 V30 R56 S57	V28-R36 HydrophobicContact CG1-CB 3.99Å; L29-R36 WeakPolarHBondContact O-CA 3.42Å; V30-R36 HydrophobicContact CG2-CG 4.46Å; R36-R56 CarbonylContact O-C 3.52Å; R36-R56 WeakPolarHBondContact O-CA 3.34Å; R36-S57 PolarHBondContact O-N 3.17Å
37	W	95.6	Very high	91.7	Very high	8 Å²	8	56.4 Å²	56.4	3%	0.03	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.2	-174.8	-56.3	83.3	0	0	0	110.7	V28 L29 D31 V54 R56 A65 L111 A112 I127	V28-W37 WeakPolarHBondContact CA-O 2.9Å; L29-W37 HydrophobicContact CB-CB 4.42Å; L29-W37 PolarHBondContact N-O 3.07Å; L29-W37 PolarHBondContact O-N 3.27Å; D31-W37 PolarHBondContact OD2-NE1 2.83Å; W37-V54 HydrophobicContact CE3-CG2 4.18Å; W37-R56 HydrophobicContact CD2-CB 4.22Å; W37-R56 HydrophobicContact CD2-CG 4.39Å; W37-R56 HydrophobicContact CE3-CB 3.81Å; W37-R56 HydrophobicContact CE3-CG 4.43Å; W37-R56 HydrophobicContact CH2-CB 4.31Å; W37-R56 VanDerWaalsContact CZ2-CD 3.43Å; W37-R56 HydrophobicContact CZ3-CB 3.85Å; W37-A65 HydrophobicContact CZ3-CB 4.41Å; W37-L111 HydrophobicContact CH2-CB 4.03Å; W37-L111 HydrophobicContact CH2-CD1 4.4Å; W37-L111 HydrophobicContact CZ2-CB 4.38Å; W37-A112 HydrophobicContact CZ2-CB 3.72Å; W37-I127 HydrophobicContact CB-CD1 3.71Å; W37-I127 HydrophobicContact CD2-CD1 3.49Å; W37-I127 VanDerWaalsContact CD2-CD1 3.49Å; W37-I127 HydrophobicContact CE3-CD1 4.03Å; W37-I127 HydrophobicContact CE3-CG2 4.2Å; W37-I127 HydrophobicContact CG-CD1 3.35Å; W37-I127 HydrophobicContact CH2-CG2 4.43Å; W37-I127 HydrophobicContact CZ3-CG2 4.16Å
38	S	95.2	Very high	90.7	Very high	34 Å²	34	58.5 Å²	58.5	24%	0.238	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.7	178.3	-56.1	0	0	0	0	110.3	G40 V54 Q55	S38-G40 PolarHBondContact O-N 2.89Å; S38-V54 WeakPolarHBondContact O-CA 3.28Å; S38-Q55 PolarHBondContact N-O 2.81Å; S38-Q55 PolarHBondContact O-N 2.88Å
39	L	95.8	Very high	90.2	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	120.3	172	-68.2	-166.4	0	0	0	110.6	L23 N26 E27 L29 Y52 V54 L69	L23-L39 HydrophobicContact CB-CD1 3.78Å; L23-L39 HydrophobicContact CD1-CD1 4.34Å; N26-L39 PolarHBondContact N-O 3.23Å; E27-L39 HydrophobicContact CB-CB 4.29Å; E27-L39 HydrophobicContact CB-CD1 3.96Å; E27-L39 HydrophobicContact CB-CG 4.13Å; E27-L39 HydrophobicContact CG-CD1 4.34Å; E27-L39 PolarHBondContact O-N 3.45Å; L29-L39 HydrophobicContact CD1-CD2 3.75Å; L29-L39 HydrophobicContact CD2-CD2 4.48Å; L29-L39 HydrophobicContact CD2-CG 4.46Å; L29-L39 HydrophobicContact CG-CD2 4.02Å; L29-L39 HydrophobicContact CG-CG 4.29Å; L39-Y52 HydrophobicContact CB-CD1 4.07Å; L39-Y52 HydrophobicContact CB-CE1 4.48Å; L39-Y52 HydrophobicContact CD1-CD1 3.94Å; L39-Y52 HydrophobicContact CD1-CD2 4.42Å; L39-Y52 HydrophobicContact CD1-CE1 3.83Å; L39-Y52 HydrophobicContact CD1-CE2 4.32Å; L39-Y52 HydrophobicContact CD1-CG 4.24Å; L39-Y52 HydrophobicContact CD2-CD1 4.27Å; L39-Y52 HydrophobicContact CD2-CD2 4.47Å; L39-Y52 HydrophobicContact CD2-CG 4.02Å; L39-Y52 HydrophobicContact CG-CD1 4.33Å; L39-V54 HydrophobicContact CD2-CG1 3.63Å; L39-L69 HydrophobicContact CD1-CD2 4.2Å; L39-L69 HydrophobicContact CD2-CD1 4.39Å
40	G	94.7	Very high	90	Very high	23 Å²	23	57 Å²	57	24%	0.237	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-150	166.6	0	0	0	0	0	111.6	S38 L42 F53	S38-G40 PolarHBondContact O-N 2.89Å; G40-L42 PolarHBondContact O-N 3.43Å; G40-F53 VanDerWaalsContact CA-O 3.29Å; G40-F53 WeakPolarHBondContact CA-O 3.23Å; G40-F53 PolarHBondContact N-O 2.71Å
41	R	94.3	Very high	90	Very high	187 Å²	187	57 Å²	57	71%	0.706	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	130.9	177.5	168.1	172.1	174.9	-171.9	-0.2	112	F43 F53	R41-F43 PolarHBondContact O-N 3.02Å; R41-F53 HydrophobicContact CB-CD2 4.33Å; R41-F53 WeakPolarHBondContact O-CD2 3.34Å; R41-F53 PolarHBondContact O-N 2.71Å; R41-F53 VanDerWaalsContact O-N 3.15Å
42	L	93.8	Very high	90	Very high	56 Å²	56	56.1 Å²	56.1	29%	0.293	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	125.3	159.8	179.8	77.1	0	0	0	110	P22 G40 T45 Y52	P22-L42 HydrophobicContact CB-CD2 4.08Å; P22-L42 HydrophobicContact CG-CD2 4.02Å; G40-L42 PolarHBondContact O-N 3.43Å; L42-T45 HydrophobicContact CD1-CG2 4.06Å; L42-T45 HydrophobicContact CD2-CG2 4.05Å; L42-T45 HydrophobicContact CG-CG2 4.45Å; L42-Y52 HydrophobicContact CB-CD1 4.15Å; L42-Y52 HydrophobicContact CB-CE1 3.88Å; L42-Y52 HydrophobicContact CD1-CD1 4.49Å; L42-Y52 HydrophobicContact CD1-CD2 4.11Å; L42-Y52 HydrophobicContact CD1-CE1 4.11Å; L42-Y52 HydrophobicContact CD1-CE2 3.69Å; L42-Y52 HydrophobicContact CD1-CG 4.49Å
43	F	91.7	Very high	90.1	Very high	84 Å²	84	54.4 Å²	54.4	37%	0.368	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-19.4	-178.8	72.5	-97	0	0	0	114.8	R41 L51 Y52 F53 V66	R41-F43 PolarHBondContact O-N 3.02Å; F43-L51 HydrophobicContact CD1-CB 4.35Å; F43-L51 WeakPolarHBondContact CD1-O 3.39Å; F43-L51 HydrophobicContact CD2-CB 4.41Å; F43-L51 HydrophobicContact CE1-CB 3.82Å; F43-L51 HydrophobicContact CE2-CB 3.89Å; F43-L51 HydrophobicContact CE2-CD1 3.97Å; F43-L51 HydrophobicContact CZ-CB 3.57Å; F43-L51 HydrophobicContact CZ-CD1 4.04Å; F43-L51 HydrophobicContact CZ-CG 4.44Å; F43-L51 PolarHBondContact N-O 3.01Å; F43-Y52 VanDerWaalsContact CE1-C 3.46Å; F43-F53 HydrophobicContact CB-CD2 4.45Å; F43-F53 HydrophobicContact CB-CE1 4.48Å; F43-F53 HydrophobicContact CB-CE2 3.71Å; F43-F53 HydrophobicContact CB-CZ 3.72Å; F43-F53 AromaticContact CD1-CD1 3.78Å; F43-F53 HydrophobicContact CD1-CD1 3.78Å; F43-F53 HydrophobicContact CD1-CD2 4.13Å; F43-F53 AromaticContact CD1-CE1 3.54Å; F43-F53 HydrophobicContact CD1-CE1 3.54Å; F43-F53 AromaticContact CD1-CE2 3.95Å; F43-F53 HydrophobicContact CD1-CE2 3.95Å; F43-F53 HydrophobicContact CD1-CG 4.05Å; F43-F53 AromaticContact CD1-CZ 3.64Å; F43-F53 HydrophobicContact CD1-CZ 3.64Å; F43-F53 HydrophobicContact CD2-CZ 4.44Å; F43-F53 AromaticContact CE1-CD1 3.93Å; F43-F53 HydrophobicContact CE1-CD1 3.93Å; F43-F53 AromaticContact CE1-CE1 3.8Å; F43-F53 HydrophobicContact CE1-CE1 3.8Å; F43-F53 HydrophobicContact CE1-CZ 4.35Å; F43-F53 AromaticContact CG-CE1 3.99Å; F43-F53 HydrophobicContact CG-CE1 3.99Å; F43-F53 HydrophobicContact CG-CE2 4.08Å; F43-F53 AromaticContact CG-CZ 3.69Å; F43-F53 HydrophobicContact CG-CZ 3.69Å; F43-F53 HydrophobicContact CZ-CE1 4.45Å; F43-V66 HydrophobicContact CE1-CB 4.1Å; F43-V66 HydrophobicContact CE1-CG1 3.56Å; F43-V66 HydrophobicContact CZ-CB 4.26Å; F43-V66 HydrophobicContact CZ-CG1 3.78Å
44	A	88.1	Confident	90.2	Very high	39 Å²	39	50.3 Å²	50.3	32%	0.322	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	158.1	171	0	0	0	0	0	111.9	L51	A44-L51 HydrophobicContact CB-CB 4.18Å; A44-L51 HydrophobicContact CB-CD1 4.16Å; A44-L51 HydrophobicContact CB-CG 4.33Å; A44-L51 PolarHBondContact N-O 3.06Å; A44-L51 PolarHBondContact O-N 2.9Å
45	T	84.6	Confident	90.2	Very high	94 Å²	94	53.9 Å²	53.9	58%	0.577	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	144.2	168.4	51.7	0	0	0	0	109.3	L42	L42-T45 HydrophobicContact CD1-CG2 4.06Å; L42-T45 HydrophobicContact CD2-CG2 4.05Å; L42-T45 HydrophobicContact CG-CG2 4.45Å
46	G	74.4	Confident	90.1	Very high	47 Å²	47	56.4 Å²	56.4	49%	0.485	30%	0.301	S	S	.	.			trans	-127.5	-175.7	-179.7	0	0	0	0	0	111.9	F48 G49	G46-F48 PolarHBondContact O-N 3.48Å; G46-F48 VanDerWaalsContact O-N 3.15Å; G46-G49 PolarHBondContact N-O 3.43Å
47	G	72.6	Confident	89.2	Confident	58 Å²	58	52 Å²	52	60%	0.598	29%	0.291	S	S	*	.	S	Bend	trans	-62.5	-21.3	-176.2	0	0	0	0	0	115.4
48	F	74.3	Confident	87.9	Confident	83 Å²	83	61.8 Å²	61.8	36%	0.364	33%	0.334	S	S	.	.	S	Bend	trans	-119.3	-16.4	-176.1	-54.7	-70.6	0	0	0	114	Y17 G46 E70 N74 P76	Y17-F48 HydrophobicContact CD1-CD1 4Å; Y17-F48 AromaticContact CD1-CE1 3.81Å; Y17-F48 HydrophobicContact CD1-CE1 3.81Å; Y17-F48 HydrophobicContact CG-CD1 4.39Å; Y17-F48 HydrophobicContact CG-CE1 4.04Å; G46-F48 PolarHBondContact O-N 3.48Å; G46-F48 VanDerWaalsContact O-N 3.15Å; F48-E70 HydrophobicContact CB-CG 4.08Å; F48-E70 WeakPolarHBondContact O-CG 3.4Å; F48-N74 PolarHBondContact O-ND2 3.46Å; F48-P76 HydrophobicContact CD2-CG 4.22Å; F48-P76 HydrophobicContact CE2-CG 4.23Å; F48-P76 HydrophobicContact CG-CG 4.43Å; F48-P76 HydrophobicContact CZ-CG 4.44Å
49	G	84.4	Confident	86.4	Confident	8 Å²	8	64.5 Å²	64.5	8%	0.082	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	-176.2	-160.7	0	0	0	0	0	116.4	G46 L69	G46-G49 PolarHBondContact N-O 3.43Å; G49-L69 CarbonylContact C-O 3.35Å; G49-L69 WeakPolarHBondContact CA-O 3.36Å
50	S	92.5	Very high	84.4	Confident	3 Å²	3	70.8 Å²	70.8	2%	0.021	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.6	-173.3	-70	0	0	0	0	111.5	L69	S50-L69 PolarHBondContact N-O 3.46Å; S50-L69 PolarHBondContact O-N 3.4Å
51	L	94.4	Very high	82.5	Confident	59 Å²	59	75.4 Å²	75.4	31%	0.309	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.7	178.7	-56.5	-171.5	0	0	0	111.9	F43 A44 A67 K68	F43-L51 HydrophobicContact CD1-CB 4.35Å; F43-L51 WeakPolarHBondContact CD1-O 3.39Å; F43-L51 HydrophobicContact CD2-CB 4.41Å; F43-L51 HydrophobicContact CE1-CB 3.82Å; F43-L51 HydrophobicContact CE2-CB 3.89Å; F43-L51 HydrophobicContact CE2-CD1 3.97Å; F43-L51 HydrophobicContact CZ-CB 3.57Å; F43-L51 HydrophobicContact CZ-CD1 4.04Å; F43-L51 HydrophobicContact CZ-CG 4.44Å; F43-L51 PolarHBondContact N-O 3.01Å; A44-L51 HydrophobicContact CB-CB 4.18Å; A44-L51 HydrophobicContact CB-CD1 4.16Å; A44-L51 HydrophobicContact CB-CG 4.33Å; A44-L51 PolarHBondContact N-O 3.06Å; A44-L51 PolarHBondContact O-N 2.9Å; L51-A67 WeakPolarHBondContact CA-O 3.44Å; L51-K68 HydrophobicContact CD2-CB 3.57Å; L51-K68 HydrophobicContact CD2-CD 4.25Å; L51-K68 HydrophobicContact CD2-CG 3.66Å
52	Y	96.6	Very high	81.4	Confident	2 Å²	2	69 Å²	69	1%	0.008	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.3	-176.4	-69.2	-101.9	0	0	0	111.4	P22 L23 L39 L42 F43 V66 A67 L69	P22-Y52 WeakPolarHBondContact CA-OH 3.18Å; P22-Y52 WeakPolarHBondContact CB-OH 3.44Å; L23-Y52 PolarHBondContact N-OH 3.3Å; L23-Y52 WeakPolarHBondContact O-CE1 3.33Å; L23-Y52 PolarHBondContact O-OH 3.37Å; L39-Y52 HydrophobicContact CB-CD1 4.07Å; L39-Y52 HydrophobicContact CB-CE1 4.48Å; L39-Y52 HydrophobicContact CD1-CD1 3.94Å; L39-Y52 HydrophobicContact CD1-CD2 4.42Å; L39-Y52 HydrophobicContact CD1-CE1 3.83Å; L39-Y52 HydrophobicContact CD1-CE2 4.32Å; L39-Y52 HydrophobicContact CD1-CG 4.24Å; L39-Y52 HydrophobicContact CD2-CD1 4.27Å; L39-Y52 HydrophobicContact CD2-CD2 4.47Å; L39-Y52 HydrophobicContact CD2-CG 4.02Å; L39-Y52 HydrophobicContact CG-CD1 4.33Å; L42-Y52 HydrophobicContact CB-CD1 4.15Å; L42-Y52 HydrophobicContact CB-CE1 3.88Å; L42-Y52 HydrophobicContact CD1-CD1 4.49Å; L42-Y52 HydrophobicContact CD1-CD2 4.11Å; L42-Y52 HydrophobicContact CD1-CE1 4.11Å; L42-Y52 HydrophobicContact CD1-CE2 3.69Å; L42-Y52 HydrophobicContact CD1-CG 4.49Å; F43-Y52 VanDerWaalsContact CE1-C 3.46Å; Y52-V66 CarbonylContact O-C 3.45Å; Y52-V66 WeakPolarHBondContact O-CA 3.44Å; Y52-V66 WeakPolarHBondContact O-CB 3.49Å; Y52-A67 PolarHBondContact N-O 2.9Å; Y52-A67 PolarHBondContact O-N 3.03Å; Y52-L69 HydrophobicContact CD2-CD1 3.99Å; Y52-L69 HydrophobicContact CE2-CD1 4.46Å; Y52-L69 HydrophobicContact CE2-CD2 4.41Å
53	F	95.3	Very high	80.9	Confident	55 Å²	55	69.7 Å²	69.7	24%	0.241	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	144.6	155.5	-57	-55.3	0	0	0	108.8	G40 R41 F43 V66	G40-F53 VanDerWaalsContact CA-O 3.29Å; G40-F53 WeakPolarHBondContact CA-O 3.23Å; G40-F53 PolarHBondContact N-O 2.71Å; R41-F53 HydrophobicContact CB-CD2 4.33Å; R41-F53 WeakPolarHBondContact O-CD2 3.34Å; R41-F53 PolarHBondContact O-N 2.71Å; R41-F53 VanDerWaalsContact O-N 3.15Å; F43-F53 HydrophobicContact CB-CD2 4.45Å; F43-F53 HydrophobicContact CB-CE1 4.48Å; F43-F53 HydrophobicContact CB-CE2 3.71Å; F43-F53 HydrophobicContact CB-CZ 3.72Å; F43-F53 AromaticContact CD1-CD1 3.78Å; F43-F53 HydrophobicContact CD1-CD1 3.78Å; F43-F53 HydrophobicContact CD1-CD2 4.13Å; F43-F53 AromaticContact CD1-CE1 3.54Å; F43-F53 HydrophobicContact CD1-CE1 3.54Å; F43-F53 AromaticContact CD1-CE2 3.95Å; F43-F53 HydrophobicContact CD1-CE2 3.95Å; F43-F53 HydrophobicContact CD1-CG 4.05Å; F43-F53 AromaticContact CD1-CZ 3.64Å; F43-F53 HydrophobicContact CD1-CZ 3.64Å; F43-F53 HydrophobicContact CD2-CZ 4.44Å; F43-F53 AromaticContact CE1-CD1 3.93Å; F43-F53 HydrophobicContact CE1-CD1 3.93Å; F43-F53 AromaticContact CE1-CE1 3.8Å; F43-F53 HydrophobicContact CE1-CE1 3.8Å; F43-F53 HydrophobicContact CE1-CZ 4.35Å; F43-F53 AromaticContact CG-CE1 3.99Å; F43-F53 HydrophobicContact CG-CE1 3.99Å; F43-F53 HydrophobicContact CG-CE2 4.08Å; F43-F53 AromaticContact CG-CZ 3.69Å; F43-F53 HydrophobicContact CG-CZ 3.69Å; F43-F53 HydrophobicContact CZ-CE1 4.45Å; F53-V66 HydrophobicContact CD1-CG1 3.89Å; F53-V66 HydrophobicContact CE1-CG1 4.26Å
54	V	95	Very high	80.9	Confident	14 Å²	14	69.2 Å²	69.2	9%	0.085	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	157.5	176.7	-61	0	0	0	0	111.8	W37 S38 L39 A65 A67 I127	W37-V54 HydrophobicContact CE3-CG2 4.18Å; S38-V54 WeakPolarHBondContact O-CA 3.28Å; L39-V54 HydrophobicContact CD2-CG1 3.63Å; V54-A65 HydrophobicContact CG2-CB 3.72Å; V54-A65 PolarHBondContact N-O 2.82Å; V54-A65 VanDerWaalsContact N-O 3.17Å; V54-A67 HydrophobicContact CG1-CB 3.46Å; V54-A67 VanDerWaalsContact CG1-CB 3.46Å; V54-A67 HydrophobicContact CG2-CB 4.32Å; V54-I127 HydrophobicContact CG2-CD1 4.3Å; V54-I127 HydrophobicContact CG2-CG2 3.72Å
55	Q	92.5	Very high	81.2	Confident	125 Å²	125	67.6 Å²	67.6	58%	0.584	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	134	175.2	-177.4	176.1	-0.6	0	0	109.1	S38	S38-Q55 PolarHBondContact N-O 2.81Å; S38-Q55 PolarHBondContact O-N 2.88Å
56	R	90.5	Very high	81.7	Confident	70 Å²	70	64.2 Å²	64.2	26%	0.264	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	140.5	174.8	-165.8	140.7	148.1	-85.3	-12.6	110.4	R36 W37 K58 E59 E62	R36-R56 CarbonylContact O-C 3.52Å; R36-R56 WeakPolarHBondContact O-CA 3.34Å; W37-R56 HydrophobicContact CD2-CB 4.22Å; W37-R56 HydrophobicContact CD2-CG 4.39Å; W37-R56 HydrophobicContact CE3-CB 3.81Å; W37-R56 HydrophobicContact CE3-CG 4.43Å; W37-R56 HydrophobicContact CH2-CB 4.31Å; W37-R56 VanDerWaalsContact CZ2-CD 3.43Å; W37-R56 HydrophobicContact CZ3-CB 3.85Å; R56-K58 PolarHBondContact O-N 2.94Å; R56-E59 IonicContact CZ-OE1 3.71Å; R56-E59 IonicContact CZ-OE2 2.99Å; R56-E59 IonicContact NH1-OE1 3.81Å; R56-E59 PolarHBondContact NH1-OE1 3.08Å; R56-E59 IonicContact NH1-OE2 2.69Å; R56-E59 PolarHBondContact NH1-OE2 3.45Å; R56-E59 IonicContact NH2-OE1 3.37Å; R56-E59 PolarHBondContact NH2-OE1 3.27Å; R56-E59 IonicContact NH2-OE2 3.66Å; R56-E62 WeakPolarHBondContact CB-OE1 3.43Å; R56-E62 WeakPolarHBondContact CB-OE2 3.39Å; R56-E62 VanDerWaalsContact CD-OE1 3.29Å; R56-E62 WeakPolarHBondContact CD-OE1 3.32Å; R56-E62 IonicContact CZ-OE1 2.66Å; R56-E62 PolarHBondContact N-OE2 3.18Å; R56-E62 IonicContact NE-OE1 3.61Å; R56-E62 IonicContact NH1-OE1 3.89Å; R56-E62 PolarHBondContact NH1-OE1 2.89Å
57	S	76.7	Confident	82.8	Confident	41 Å²	41	62 Å²	62	29%	0.287	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	132.8	176.8	-66.9	0	0	0	0	110.7	R36	R36-S57 PolarHBondContact O-N 3.17Å
58	K	68.6	Low	83.9	Confident	214 Å²	214	60.6 Å²	60.6	93%	0.93	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-0.6	173.1	-48.6	-175.3	178.5	-176.1	0	118.3	R56	R56-K58 PolarHBondContact O-N 2.94Å
59	E	63.6	Low	84.9	Confident	92 Å²	92	56.9 Å²	56.9	43%	0.43	31%	0.308	S	S	.	.			trans	-110.5	126.3	175	-73.2	179.6	-141.5	0	0	111.7	R56 E62	R56-E59 IonicContact CZ-OE1 3.71Å; R56-E59 IonicContact CZ-OE2 2.99Å; R56-E59 IonicContact NH1-OE1 3.81Å; R56-E59 PolarHBondContact NH1-OE1 3.08Å; R56-E59 IonicContact NH1-OE2 2.69Å; R56-E59 PolarHBondContact NH1-OE2 3.45Å; R56-E59 IonicContact NH2-OE1 3.37Å; R56-E59 PolarHBondContact NH2-OE1 3.27Å; R56-E59 IonicContact NH2-OE2 3.66Å; E59-E62 HydrophobicContact CB-CG 3.9Å
60	C	53.2	Low	85.4	Confident	133 Å²	133	56.7 Å²	56.7	90%	0.899	31%	0.305	S	S	*	.	S	Bend	trans	-95.3	-10.5	-162.2	-160.9	0	0	0	0	114.9
61	S	55.1	Low	85.5	Confident	119 Å²	119	57.6 Å²	57.6	83%	0.832	31%	0.309	S	S	*	.	S	Bend	trans	-135.8	39.9	-173.5	67.2	0	0	0	0	112.7
62	E	72.4	Confident	85.4	Confident	54 Å²	54	56 Å²	56	25%	0.252	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-72.8	159.9	-178.9	-75.1	-157.1	147.1	0	0	114.3	R56 E59	R56-E62 WeakPolarHBondContact CB-OE1 3.43Å; R56-E62 WeakPolarHBondContact CB-OE2 3.39Å; R56-E62 VanDerWaalsContact CD-OE1 3.29Å; R56-E62 WeakPolarHBondContact CD-OE1 3.32Å; R56-E62 IonicContact CZ-OE1 2.66Å; R56-E62 PolarHBondContact N-OE2 3.18Å; R56-E62 IonicContact NE-OE1 3.61Å; R56-E62 IonicContact NH1-OE1 3.89Å; R56-E62 PolarHBondContact NH1-OE1 2.89Å; E59-E62 HydrophobicContact CB-CG 3.9Å
63	T	82.1	Confident	85.1	Confident	69 Å²	69	60.3 Å²	60.3	42%	0.423	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-61.9	125.6	164.3	-63.9	0	0	0	0	109.2	A65 P129	T63-A65 PolarHBondContact O-N 2.8Å; T63-P129 HydrophobicContact CG2-CB 4Å; T63-P129 HydrophobicContact CG2-CG 4.5Å
64	P	91.6	Very high	84.7	Confident	75 Å²	75	57.8 Å²	57.8	49%	0.487	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-53.1	132.2	175.7	-27.5	35.7	0	0	0	111	R130	P64-R130 HydrophobicContact CB-CB 4.13Å; P64-R130 VanDerWaalsContact O-CB 3.25Å; P64-R130 WeakPolarHBondContact O-CB 3.41Å; P64-R130 PolarHBondContact O-N 3.35Å
65	A	94.7	Very high	84.3	Confident	4 Å²	4	58.7 Å²	58.7	3%	0.033	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	159.2	-169.8	0	0	0	0	0	112.9	W37 V54 T63 L111 I127 I128	W37-A65 HydrophobicContact CZ3-CB 4.41Å; V54-A65 HydrophobicContact CG2-CB 3.72Å; V54-A65 PolarHBondContact N-O 2.82Å; V54-A65 VanDerWaalsContact N-O 3.17Å; T63-A65 PolarHBondContact O-N 2.8Å; A65-L111 HydrophobicContact CB-CD1 3.65Å; A65-I127 HydrophobicContact CB-CG2 4.06Å; A65-I128 WeakPolarHBondContact CA-O 3.04Å
66	V	96.2	Very high	84.2	Confident	23 Å²	23	54 Å²	54	14%	0.139	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	146.5	172.2	-68.6	0	0	0	0	110.9	F43 Y52 F53 I127 I128 R130	F43-V66 HydrophobicContact CE1-CB 4.1Å; F43-V66 HydrophobicContact CE1-CG1 3.56Å; F43-V66 HydrophobicContact CZ-CB 4.26Å; F43-V66 HydrophobicContact CZ-CG1 3.78Å; Y52-V66 CarbonylContact O-C 3.45Å; Y52-V66 WeakPolarHBondContact O-CA 3.44Å; Y52-V66 WeakPolarHBondContact O-CB 3.49Å; F53-V66 HydrophobicContact CD1-CG1 3.89Å; F53-V66 HydrophobicContact CE1-CG1 4.26Å; V66-I127 WeakPolarHBondContact O-CA 3.37Å; V66-I128 HydrophobicContact CG2-CD1 4.47Å; V66-I128 HydrophobicContact CG2-CG1 3.82Å; V66-I128 PolarHBondContact N-O 3.03Å; V66-I128 PolarHBondContact O-N 2.94Å; V66-I128 VanDerWaalsContact O-N 3.1Å; V66-R130 HydrophobicContact CG1-CB 3.96Å; V66-R130 HydrophobicContact CG1-CG 3.87Å
67	A	96.5	Very high	84.3	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.2	173	0	0	0	0	0	111.8	L29 L51 Y52 V54 L69 L126 I127	L29-A67 HydrophobicContact CD1-CB 4.49Å; L51-A67 WeakPolarHBondContact CA-O 3.44Å; Y52-A67 PolarHBondContact N-O 2.9Å; Y52-A67 PolarHBondContact O-N 3.03Å; V54-A67 HydrophobicContact CG1-CB 3.46Å; V54-A67 VanDerWaalsContact CG1-CB 3.46Å; V54-A67 HydrophobicContact CG2-CB 4.32Å; A67-L69 HydrophobicContact CB-CD1 3.61Å; A67-L126 CarbonylContact C-O 3.5Å; A67-L126 WeakPolarHBondContact CA-O 3.4Å; A67-I127 HydrophobicContact CB-CD1 4.5Å; A67-I127 HydrophobicContact CB-CG1 3.99Å
68	K	95.9	Very high	85.1	Confident	29 Å²	29	51.4 Å²	51.4	13%	0.126	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	120.1	168.6	179.1	172.5	174.9	-177.5	0	108.2	L51 E70 L77 E80 F125 L126 D203	L51-K68 HydrophobicContact CD2-CB 3.57Å; L51-K68 HydrophobicContact CD2-CD 4.25Å; L51-K68 HydrophobicContact CD2-CG 3.66Å; K68-E70 WeakPolarHBondContact CE-OE1 3.47Å; K68-L77 HydrophobicContact CB-CD1 4.4Å; K68-L77 HydrophobicContact CD-CD1 3.96Å; K68-L77 HydrophobicContact CG-CD1 3.99Å; K68-L77 HydrophobicContact CG-CD2 4.46Å; K68-L77 WeakPolarHBondContact O-CD2 3.48Å; K68-E80 WeakPolarHBondContact CD-OE2 3.26Å; K68-E80 WeakPolarHBondContact CE-OE2 3.4Å; K68-E80 IonicContact NZ-OE2 2.77Å; K68-E80 PolarHBondContact NZ-OE2 2.87Å; K68-F125 WeakPolarHBondContact O-CA 3.4Å; K68-L126 HydrophobicContact CB-CB 4.5Å; K68-L126 PolarHBondContact N-O 3.07Å; K68-L126 PolarHBondContact O-N 2.86Å; K68-D203 IonicContact NZ-OD1 2.69Å; K68-D203 PolarHBondContact NZ-OD1 2.95Å; K68-D203 IonicContact NZ-OD2 3.14Å; K68-D203 PolarHBondContact NZ-OD2 3.05Å
69	L	95.8	Very high	86.2	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.8	-178.6	-77.7	74.2	0	0	0	110.4	L23 L29 L39 G49 S50 Y52 A67 F125	L23-L69 HydrophobicContact CD1-CD2 3.67Å; L23-L69 HydrophobicContact CG-CD2 4.33Å; L29-L69 HydrophobicContact CD1-CD1 4.32Å; L29-L69 HydrophobicContact CD2-CD2 4.33Å; L39-L69 HydrophobicContact CD1-CD2 4.2Å; L39-L69 HydrophobicContact CD2-CD1 4.39Å; G49-L69 CarbonylContact C-O 3.35Å; G49-L69 WeakPolarHBondContact CA-O 3.36Å; S50-L69 PolarHBondContact N-O 3.46Å; S50-L69 PolarHBondContact O-N 3.4Å; Y52-L69 HydrophobicContact CD2-CD1 3.99Å; Y52-L69 HydrophobicContact CE2-CD1 4.46Å; Y52-L69 HydrophobicContact CE2-CD2 4.41Å; A67-L69 HydrophobicContact CB-CD1 3.61Å; L69-F125 HydrophobicContact CD1-CB 4.19Å; L69-F125 HydrophobicContact CG-CB 3.91Å
70	E	94.6	Very high	87.7	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.019	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	162.5	171.1	-64.9	-177.4	-169.9	0	0	109.5	F48 K68 N74 L77 Y123 R124	F48-E70 HydrophobicContact CB-CG 4.08Å; F48-E70 WeakPolarHBondContact O-CG 3.4Å; K68-E70 WeakPolarHBondContact CE-OE1 3.47Å; E70-N74 HydrophobicContact CB-CB 4.12Å; E70-N74 WeakPolarHBondContact OE2-CB 3.15Å; E70-L77 HydrophobicContact CB-CB 4.11Å; E70-L77 HydrophobicContact CB-CD2 3.81Å; E70-L77 VanDerWaalsContact CD-CB 3.41Å; E70-L77 HydrophobicContact CG-CB 3.94Å; E70-L77 HydrophobicContact CG-CD2 3.88Å; E70-L77 VanDerWaalsContact OE2-CB 3.3Å; E70-L77 WeakPolarHBondContact OE2-CB 3.39Å; E70-L77 PolarHBondContact OE2-N 3.13Å; E70-Y123 CarbonylContact O-C 3.59Å; E70-Y123 VanDerWaalsContact O-CA 3.25Å; E70-Y123 WeakPolarHBondContact O-CA 3.27Å; E70-R124 PolarHBondContact N-O 3.38Å; E70-R124 VanDerWaalsContact N-O 3.07Å; E70-R124 PolarHBondContact O-N 3.02Å
71	L	93.9	Very high	89.7	Confident	22 Å²	22	34.1 Å²	34.1	12%	0.115	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	143.6	167.3	-63.6	177.6	0	0	0	109.1	A20 S73 N74 R121 Y123	A20-L71 HydrophobicContact CB-CD2 4.25Å; A20-L71 HydrophobicContact CB-CG 4.06Å; L71-S73 PolarHBondContact O-N 3.05Å; L71-S73 VanDerWaalsContact O-N 3.13Å; L71-N74 WeakPolarHBondContact O-CB 3.36Å; L71-N74 PolarHBondContact O-N 3.46Å; L71-R121 HydrophobicContact CD2-CB 4.41Å; L71-Y123 HydrophobicContact CD2-CD1 4.04Å; L71-Y123 HydrophobicContact CD2-CE1 3.8Å
72	S	92.3	Very high	91.6	Very high	25 Å²	25	30.9 Å²	30.9	18%	0.175	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.2	-177.5	67.4	0	0	0	0	113.5	N74 E122 R124	S72-N74 PolarHBondContact O-N 3.24Å; S72-E122 WeakPolarHBondContact CB-OE1 3.27Å; S72-E122 PolarHBondContact N-O 3.27Å; S72-E122 PolarHBondContact OG-OE1 2.94Å; S72-R124 VanDerWaalsContact O-CZ 3.29Å; S72-R124 PolarHBondContact O-NH1 3.41Å; S72-R124 PolarHBondContact O-NH2 2.84Å
73	S	89.7	Confident	92.8	Very high	93 Å²	93	28.4 Å²	28.4	65%	0.65	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.1	171.3	56	0	0	0	0	114.5	L71	L71-S73 PolarHBondContact O-N 3.05Å; L71-S73 VanDerWaalsContact O-N 3.13Å
74	N	87.7	Confident	93.5	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	15%	0.15	C	C	.	.			trans	-78.5	131.9	-177.9	-65.2	-10.8	0	0	0	110.6	G18 F48 E70 L71 S72 R124	G18-N74 PolarHBondContact O-ND2 3.24Å; G18-N74 VanDerWaalsContact O-ND2 3.11Å; F48-N74 PolarHBondContact O-ND2 3.46Å; E70-N74 HydrophobicContact CB-CB 4.12Å; E70-N74 WeakPolarHBondContact OE2-CB 3.15Å; L71-N74 WeakPolarHBondContact O-CB 3.36Å; L71-N74 PolarHBondContact O-N 3.46Å; S72-N74 PolarHBondContact O-N 3.24Å; N74-R124 PolarHBondContact O-NH1 3.27Å
75	G	87	Confident	93.7	Very high	32 Å²	32	25.5 Å²	25.5	33%	0.33	15%	0.145	S	C	.	.	S	Bend	trans	-73.7	-42.1	-177.9	0	0	0	0	0	116.2	L77 F78 Q79	G75-L77 PolarHBondContact O-N 3.27Å; G75-F78 VanDerWaalsContact O-CB 3.29Å; G75-F78 WeakPolarHBondContact O-CB 3.48Å; G75-F78 PolarHBondContact O-N 2.84Å; G75-Q79 PolarHBondContact O-N 3.14Å; G75-Q79 VanDerWaalsContact O-N 3.16Å
76	P	89.3	Confident	93.7	Very high	26 Å²	26	28.2 Å²	28.2	17%	0.169	16%	0.155	C	C	.	.	H	α-helix	trans	-55.2	-51.5	-173	-29.8	37.2	0	0	0	113.8	F48 F78 Q79 E80	F48-P76 HydrophobicContact CD2-CG 4.22Å; F48-P76 HydrophobicContact CE2-CG 4.23Å; F48-P76 HydrophobicContact CG-CG 4.43Å; F48-P76 HydrophobicContact CZ-CG 4.44Å; P76-F78 VanDerWaalsContact C-N 3.26Å; P76-F78 PolarHBondContact O-N 3.47Å; P76-Q79 PolarHBondContact O-N 2.95Å; P76-Q79 VanDerWaalsContact O-N 3.16Å; P76-E80 PolarHBondContact O-N 2.87Å
77	L	93.3	Very high	93.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.8	-22.9	178.6	-171.3	60.3	0	0	0	113.8	K68 E70 G75 I81 R124 L126	K68-L77 HydrophobicContact CB-CD1 4.4Å; K68-L77 HydrophobicContact CD-CD1 3.96Å; K68-L77 HydrophobicContact CG-CD1 3.99Å; K68-L77 HydrophobicContact CG-CD2 4.46Å; K68-L77 WeakPolarHBondContact O-CD2 3.48Å; E70-L77 HydrophobicContact CB-CB 4.11Å; E70-L77 HydrophobicContact CB-CD2 3.81Å; E70-L77 VanDerWaalsContact CD-CB 3.41Å; E70-L77 HydrophobicContact CG-CB 3.94Å; E70-L77 HydrophobicContact CG-CD2 3.88Å; E70-L77 VanDerWaalsContact OE2-CB 3.3Å; E70-L77 WeakPolarHBondContact OE2-CB 3.39Å; E70-L77 PolarHBondContact OE2-N 3.13Å; G75-L77 PolarHBondContact O-N 3.27Å; L77-I81 HydrophobicContact CD1-CD1 4.04Å; L77-I81 HydrophobicContact CD1-CG1 4.24Å; L77-I81 HydrophobicContact CG-CD1 3.84Å; L77-I81 HydrophobicContact CG-CG1 4.48Å; L77-I81 WeakPolarHBondContact O-CB 3.43Å; L77-I81 WeakPolarHBondContact O-CD1 3.24Å; L77-I81 WeakPolarHBondContact O-CG1 3.4Å; L77-I81 PolarHBondContact O-N 3.46Å; L77-I81 VanDerWaalsContact O-N 3.11Å; L77-R124 HydrophobicContact CD2-CB 4.28Å; L77-R124 HydrophobicContact CD2-CG 4.4Å; L77-R124 WeakPolarHBondContact CD2-O 3.49Å; L77-R124 HydrophobicContact CG-CG 4.43Å; L77-L126 HydrophobicContact CD1-CB 3.68Å; L77-L126 HydrophobicContact CD1-CD2 4.06Å
78	F	93.2	Very high	93.8	Very high	58 Å²	58	27.2 Å²	27.2	25%	0.254	15%	0.148	S	C	.	.	H	α-helix	trans	-64.7	-49.3	170	-179.4	-90.3	0	0	0	110.7	G75 P76 I81 H82	G75-F78 VanDerWaalsContact O-CB 3.29Å; G75-F78 WeakPolarHBondContact O-CB 3.48Å; G75-F78 PolarHBondContact O-N 2.84Å; P76-F78 VanDerWaalsContact C-N 3.26Å; P76-F78 PolarHBondContact O-N 3.47Å; F78-I81 PolarHBondContact O-N 2.95Å; F78-H82 AromaticContact CD1-CE1 3.98Å; F78-H82 AromaticContact CD1-ND1 3.79Å; F78-H82 AromaticContact CD2-CE1 3.69Å; F78-H82 AromaticContact CE1-CE1 3.57Å; F78-H82 AromaticContact CE1-ND1 3.72Å; F78-H82 AromaticContact CE2-CE1 3.27Å; F78-H82 WeakPolarHBondContact CE2-CE1 3.3Å; F78-H82 AromaticContact CG-ND1 3.95Å; F78-H82 AromaticContact CZ-CE1 3.2Å; F78-H82 WeakPolarHBondContact CZ-CE1 3.18Å; F78-H82 AromaticContact CZ-ND1 3.84Å; F78-H82 AromaticContact CZ-NE2 3.59Å; F78-H82 PolarHBondContact O-N 3Å; F78-H82 VanDerWaalsContact O-N 3.09Å; F78-H82 PolarHBondContact O-ND1 3.06Å
79	Q	91.7	Very high	93.8	Very high	66 Å²	66	29.8 Å²	29.8	31%	0.308	16%	0.161	S	C	.	.	H	α-helix	trans	-64.1	-44.4	-179.5	-58.1	-169.8	125.2	0	0	111.4	G75 P76 H82 L83 G205	G75-Q79 PolarHBondContact O-N 3.14Å; G75-Q79 VanDerWaalsContact O-N 3.16Å; P76-Q79 PolarHBondContact O-N 2.95Å; P76-Q79 VanDerWaalsContact O-N 3.16Å; Q79-H82 PolarHBondContact O-N 3.09Å; Q79-L83 PolarHBondContact O-N 3.31Å; Q79-G205 PolarHBondContact NE2-O 3.36Å
80	E	95.4	Very high	93.8	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-49.2	177.6	177.5	164.9	-140.7	0	0	111.8	K68 P76 H82 L83 Y84 L126 D203 F204	K68-E80 WeakPolarHBondContact CD-OE2 3.26Å; K68-E80 WeakPolarHBondContact CE-OE2 3.4Å; K68-E80 IonicContact NZ-OE2 2.77Å; K68-E80 PolarHBondContact NZ-OE2 2.87Å; P76-E80 PolarHBondContact O-N 2.87Å; E80-H82 VanDerWaalsContact C-N 3.32Å; E80-H82 PolarHBondContact O-N 3.12Å; E80-L83 WeakPolarHBondContact O-CB 3.28Å; E80-L83 PolarHBondContact O-N 3.38Å; E80-L83 VanDerWaalsContact O-N 3.15Å; E80-Y84 HydrophobicContact CG-CD2 3.67Å; E80-Y84 HydrophobicContact CG-CE2 3.57Å; E80-Y84 VanDerWaalsContact O-CD2 3.3Å; E80-Y84 WeakPolarHBondContact O-CD2 3.21Å; E80-Y84 PolarHBondContact O-N 3.44Å; E80-L126 HydrophobicContact CG-CD2 3.76Å; E80-D203 VanDerWaalsContact OE1-CA 3.26Å; E80-D203 WeakPolarHBondContact OE1-CA 3.27Å; E80-F204 HydrophobicContact CB-CB 4.4Å; E80-F204 HydrophobicContact CG-CB 4.08Å; E80-F204 PolarHBondContact OE1-N 3.28Å
81	I	96.2	Very high	93.9	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.036	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-38.3	177.5	-75.7	164.3	0	0	0	111.9	L77 F78 L83 Y84 Q85 R124 F125 L126	L77-I81 HydrophobicContact CD1-CD1 4.04Å; L77-I81 HydrophobicContact CD1-CG1 4.24Å; L77-I81 HydrophobicContact CG-CD1 3.84Å; L77-I81 HydrophobicContact CG-CG1 4.48Å; L77-I81 WeakPolarHBondContact O-CB 3.43Å; L77-I81 WeakPolarHBondContact O-CD1 3.24Å; L77-I81 WeakPolarHBondContact O-CG1 3.4Å; L77-I81 PolarHBondContact O-N 3.46Å; L77-I81 VanDerWaalsContact O-N 3.11Å; F78-I81 PolarHBondContact O-N 2.95Å; I81-L83 VanDerWaalsContact C-N 3.31Å; I81-L83 PolarHBondContact O-N 2.99Å; I81-Y84 PolarHBondContact O-N 3.02Å; I81-Q85 HydrophobicContact CG2-CG 4.21Å; I81-Q85 VanDerWaalsContact CG2-NE2 3.34Å; I81-Q85 WeakPolarHBondContact O-CB 3.4Å; I81-Q85 VanDerWaalsContact O-CG 3.28Å; I81-Q85 WeakPolarHBondContact O-CG 3.38Å; I81-Q85 PolarHBondContact O-N 2.9Å; I81-R124 HydrophobicContact CD1-CG 3.54Å; I81-F125 WeakPolarHBondContact CD1-O 3.46Å; I81-L126 HydrophobicContact CD1-CB 3.97Å; I81-L126 HydrophobicContact CG1-CB 3.85Å; I81-L126 HydrophobicContact CG1-CD1 3.95Å; I81-L126 HydrophobicContact CG1-CG 4.37Å
82	H	94.5	Very high	94.1	Very high	51 Å²	51	44.7 Å²	44.7	24%	0.236	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-33.6	176.1	-78.4	71.3	0	0	0	112.5	F78 Q79 E80 R86	F78-H82 AromaticContact CD1-CE1 3.98Å; F78-H82 AromaticContact CD1-ND1 3.79Å; F78-H82 AromaticContact CD2-CE1 3.69Å; F78-H82 AromaticContact CE1-CE1 3.57Å; F78-H82 AromaticContact CE1-ND1 3.72Å; F78-H82 AromaticContact CE2-CE1 3.27Å; F78-H82 WeakPolarHBondContact CE2-CE1 3.3Å; F78-H82 AromaticContact CG-ND1 3.95Å; F78-H82 AromaticContact CZ-CE1 3.2Å; F78-H82 WeakPolarHBondContact CZ-CE1 3.18Å; F78-H82 AromaticContact CZ-ND1 3.84Å; F78-H82 AromaticContact CZ-NE2 3.59Å; F78-H82 PolarHBondContact O-N 3Å; F78-H82 VanDerWaalsContact O-N 3.09Å; F78-H82 PolarHBondContact O-ND1 3.06Å; Q79-H82 PolarHBondContact O-N 3.09Å; E80-H82 VanDerWaalsContact C-N 3.32Å; E80-H82 PolarHBondContact O-N 3.12Å; H82-R86 WeakPolarHBondContact O-CD 3.39Å; H82-R86 VanDerWaalsContact O-CG 3.28Å; H82-R86 WeakPolarHBondContact O-CG 3.44Å; H82-R86 PolarHBondContact O-N 3.24Å
83	L	96.7	Very high	94.3	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-51	170.3	-173.4	151.6	0	0	0	110.5	Q79 E80 I81 Q85 R86 V87 M107 L165 Y170 F204 A207	Q79-L83 PolarHBondContact O-N 3.31Å; E80-L83 WeakPolarHBondContact O-CB 3.28Å; E80-L83 PolarHBondContact O-N 3.38Å; E80-L83 VanDerWaalsContact O-N 3.15Å; I81-L83 VanDerWaalsContact C-N 3.31Å; I81-L83 PolarHBondContact O-N 2.99Å; L83-Q85 VanDerWaalsContact C-N 3.34Å; L83-Q85 PolarHBondContact O-N 3.47Å; L83-R86 PolarHBondContact O-N 2.78Å; L83-V87 HydrophobicContact CD2-CG2 3.39Å; L83-V87 HydrophobicContact CG-CG2 3.76Å; L83-V87 WeakPolarHBondContact O-CG2 3.27Å; L83-V87 PolarHBondContact O-N 3.01Å; L83-M107 HydrophobicContact CD2-CE 4.01Å; L83-L165 HydrophobicContact CD1-CD2 4.3Å; L83-L165 HydrophobicContact CD2-CD2 4.38Å; L83-Y170 HydrophobicContact CB-CE1 4.06Å; L83-Y170 HydrophobicContact CD1-CD1 3.42Å; L83-Y170 VanDerWaalsContact CD1-CD1 3.42Å; L83-Y170 HydrophobicContact CD1-CE1 3.78Å; L83-Y170 HydrophobicContact CD1-CG 3.91Å; L83-Y170 HydrophobicContact CG-CD1 4.07Å; L83-Y170 HydrophobicContact CG-CE1 4Å; L83-Y170 HydrophobicContact CG-CG 4.43Å; L83-F204 HydrophobicContact CD1-CB 4.02Å; L83-F204 HydrophobicContact CD1-CD1 3.88Å; L83-F204 HydrophobicContact CD1-CG 4.14Å; L83-F204 HydrophobicContact CD2-CB 4.29Å; L83-F204 HydrophobicContact CD2-CD1 3.96Å; L83-F204 HydrophobicContact CD2-CD2 4.23Å; L83-F204 HydrophobicContact CD2-CE1 4.38Å; L83-F204 HydrophobicContact CD2-CG 3.89Å; L83-A207 HydrophobicContact CD1-CB 3.51Å
84	Y	97.5	Very high	94.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.9	-40	179.4	-87.3	-74.7	0	0	0	113.4	E80 I81 R86 G88 P108 L110 L126 I128 F204	E80-Y84 HydrophobicContact CG-CD2 3.67Å; E80-Y84 HydrophobicContact CG-CE2 3.57Å; E80-Y84 VanDerWaalsContact O-CD2 3.3Å; E80-Y84 WeakPolarHBondContact O-CD2 3.21Å; E80-Y84 PolarHBondContact O-N 3.44Å; I81-Y84 PolarHBondContact O-N 3.02Å; Y84-R86 PolarHBondContact O-N 3.38Å; Y84-G88 CarbonylContact O-C 3.19Å; Y84-G88 WeakPolarHBondContact O-CA 3.28Å; Y84-G88 PolarHBondContact O-N 2.99Å; Y84-P108 HydrophobicContact CE1-CB 4.11Å; Y84-P108 HydrophobicContact CE1-CG 3.83Å; Y84-P108 VanDerWaalsContact OH-CG 3.22Å; Y84-P108 WeakPolarHBondContact OH-CG 3.14Å; Y84-L110 HydrophobicContact CD1-CB 4.17Å; Y84-L110 HydrophobicContact CG-CD1 4.45Å; Y84-L126 HydrophobicContact CD2-CD1 3.79Å; Y84-L126 HydrophobicContact CD2-CD2 3.92Å; Y84-L126 HydrophobicContact CE2-CD1 4.21Å; Y84-L126 HydrophobicContact CE2-CD2 3.68Å; Y84-L126 HydrophobicContact CG-CD1 4.1Å; Y84-I128 HydrophobicContact CD1-CG2 4.35Å; Y84-I128 HydrophobicContact CE1-CG2 3.75Å; Y84-I128 HydrophobicContact CE2-CG2 4.34Å; Y84-F204 HydrophobicContact CD2-CD2 4.46Å; Y84-F204 HydrophobicContact CE1-CE2 4.45Å; Y84-F204 AromaticContact CE2-CD2 3.66Å; Y84-F204 HydrophobicContact CE2-CD2 3.66Å; Y84-F204 HydrophobicContact CE2-CE2 4.14Å; Y84-F204 AromaticContact CZ-CD2 3.8Å; Y84-F204 AromaticContact CZ-CE2 3.78Å
85	Q	95.6	Very high	95.1	Very high	84 Å²	84	45.4 Å²	45.4	39%	0.393	21%	0.21	S	C	.	.	H	α-helix	trans	-64.8	-28.2	176.6	-73	172.2	-5.9	0	0	112.8	I81 L83 Q89 L110 S113	I81-Q85 HydrophobicContact CG2-CG 4.21Å; I81-Q85 VanDerWaalsContact CG2-NE2 3.34Å; I81-Q85 WeakPolarHBondContact O-CB 3.4Å; I81-Q85 VanDerWaalsContact O-CG 3.28Å; I81-Q85 WeakPolarHBondContact O-CG 3.38Å; I81-Q85 PolarHBondContact O-N 2.9Å; L83-Q85 VanDerWaalsContact C-N 3.34Å; L83-Q85 PolarHBondContact O-N 3.47Å; Q85-Q89 PolarHBondContact O-NE2 3.34Å; Q85-L110 HydrophobicContact CG-CD2 4.03Å; Q85-S113 PolarHBondContact NE2-OG 3.31Å
86	R	95.5	Very high	95.6	Very high	61 Å²	61	45.7 Å²	45.7	23%	0.23	20%	0.201	C	C	.	.	H	α-helix	trans	-89.1	-51.2	-178.8	-73.9	170.8	156.7	-149.9	-14.9	113.4	H82 L83 Y84 R92 Y170 V406	H82-R86 WeakPolarHBondContact O-CD 3.39Å; H82-R86 VanDerWaalsContact O-CG 3.28Å; H82-R86 WeakPolarHBondContact O-CG 3.44Å; H82-R86 PolarHBondContact O-N 3.24Å; L83-R86 PolarHBondContact O-N 2.78Å; Y84-R86 PolarHBondContact O-N 3.38Å; R86-R92 PolarHBondContact O-NH1 3.4Å; R86-Y170 WeakPolarHBondContact CD-OH 3.38Å; R86-Y170 PolarHBondContact NH1-OH 2.86Å; R86-Y170 VanDerWaalsContact NH1-OH 3.16Å; R86-V406 PolarHBondContact NH2-O 3.06Å
87	V	96.3	Very high	96	Very high	2 Å²	2	48 Å²	48	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-117.7	-17.5	-172.8	-56.5	0	0	0	0	113.5	L83 Q89 M107 Y164 L165 S168 Y170	L83-V87 HydrophobicContact CD2-CG2 3.39Å; L83-V87 HydrophobicContact CG-CG2 3.76Å; L83-V87 WeakPolarHBondContact O-CG2 3.27Å; L83-V87 PolarHBondContact O-N 3.01Å; V87-Q89 PolarHBondContact O-N 3.28Å; V87-M107 HydrophobicContact CG2-CE 4.16Å; V87-Y164 HydrophobicContact CB-CE1 3.81Å; V87-Y164 HydrophobicContact CG2-CE1 4.4Å; V87-Y164 WeakPolarHBondContact O-CE1 3.07Å; V87-Y164 PolarHBondContact O-OH 3.09Å; V87-L165 HydrophobicContact CG2-CD2 4.11Å; V87-S168 WeakPolarHBondContact CG1-OG 3.43Å; V87-Y170 HydrophobicContact CG1-CD2 4.43Å; V87-Y170 HydrophobicContact CG1-CE2 4.47Å
88	G	97	Very high	96.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	24%	0.235	C	C	.	.			trans	-77.3	10.9	175.8	0	0	0	0	0	115	Y84 K90 Y109 L110	Y84-G88 CarbonylContact O-C 3.19Å; Y84-G88 WeakPolarHBondContact O-CA 3.28Å; Y84-G88 PolarHBondContact O-N 2.99Å; G88-K90 PolarHBondContact O-N 3.08Å; G88-Y109 CarbonylContact O-C 3.19Å; G88-Y109 VanDerWaalsContact O-CA 3.26Å; G88-Y109 WeakPolarHBondContact O-CA 3.28Å; G88-L110 PolarHBondContact O-N 3.37Å
89	Q	96.7	Very high	96.3	Very high	83 Å²	83	55.7 Å²	55.7	39%	0.388	25%	0.253	S	S	.	.			trans	-73.6	122.9	-179.7	-62.6	179.2	9	0	0	110.4	Q85 V87 R91 R92 I93	Q85-Q89 PolarHBondContact O-NE2 3.34Å; V87-Q89 PolarHBondContact O-N 3.28Å; Q89-R91 VanDerWaalsContact C-N 3.31Å; Q89-R91 PolarHBondContact O-N 2.76Å; Q89-R92 HydrophobicContact CB-CB 4.28Å; Q89-R92 HydrophobicContact CB-CG 4.01Å; Q89-R92 PolarHBondContact O-N 3.5Å; Q89-I93 PolarHBondContact O-N 3.02Å; Q89-I93 VanDerWaalsContact O-N 3.07Å
90	K	96	Very high	96.3	Very high	105 Å²	105	53.9 Å²	53.9	46%	0.457	24%	0.244	S	C	.	.	H	α-helix	trans	-49.5	-47.9	-177.3	-178.8	169.5	179.9	177.7	0	113.3	G88 R92 I93 D94 Y109	G88-K90 PolarHBondContact O-N 3.08Å; K90-R92 VanDerWaalsContact C-N 3.34Å; K90-R92 PolarHBondContact O-N 3.34Å; K90-I93 PolarHBondContact O-N 2.86Å; K90-I93 VanDerWaalsContact O-N 3.12Å; K90-D94 WeakPolarHBondContact CE-OD2 3.46Å; K90-D94 VanDerWaalsContact CG-OD2 3.29Å; K90-D94 WeakPolarHBondContact CG-OD2 3.39Å; K90-D94 PolarHBondContact O-N 2.94Å; K90-Y109 HydrophobicContact CB-CD2 4.06Å; K90-Y109 HydrophobicContact CB-CG 4.09Å; K90-Y109 HydrophobicContact CD-CD2 4.12Å; K90-Y109 HydrophobicContact CD-CE2 4.02Å; K90-Y109 HydrophobicContact CD-CG 4.41Å; K90-Y109 HydrophobicContact CG-CD2 4.39Å; K90-Y109 HydrophobicContact CG-CG 4.32Å
91	R	96.9	Very high	96.2	Very high	150 Å²	150	56.1 Å²	56.1	57%	0.566	27%	0.268	S	S	*	.	H	α-helix	trans	-52.9	-48.1	175.5	-177.1	-177.7	68	83.1	3.7	112.4	Q89 I93 D94 E95	Q89-R91 VanDerWaalsContact C-N 3.31Å; Q89-R91 PolarHBondContact O-N 2.76Å; R91-I93 VanDerWaalsContact C-N 3.32Å; R91-I93 PolarHBondContact O-N 2.73Å; R91-D94 PolarHBondContact O-N 3.3Å; R91-E95 WeakPolarHBondContact CD-OE1 3.3Å; R91-E95 HydrophobicContact CG-CG 4.32Å; R91-E95 WeakPolarHBondContact CG-OE1 3.26Å; R91-E95 IonicContact CZ-OE1 2.79Å; R91-E95 IonicContact CZ-OE2 3.49Å; R91-E95 IonicContact NE-OE1 2.71Å; R91-E95 IonicContact NH1-OE1 3.36Å; R91-E95 PolarHBondContact NH1-OE1 2.91Å; R91-E95 IonicContact NH1-OE2 3.33Å; R91-E95 PolarHBondContact NH1-OE2 3.4Å; R91-E95 VanDerWaalsContact O-CB 3.3Å; R91-E95 WeakPolarHBondContact O-CB 3.33Å; R91-E95 VanDerWaalsContact O-CG 3.22Å; R91-E95 WeakPolarHBondContact O-CG 3.49Å; R91-E95 PolarHBondContact O-N 2.77Å
92	R	97.1	Very high	96.1	Very high	88 Å²	88	56.4 Å²	56.4	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-66.9	-33.2	-179.6	-61.9	-169.2	69.9	-169	-0.4	112.5	R86 Q89 K90 W96 Y164	R86-R92 PolarHBondContact O-NH1 3.4Å; Q89-R92 HydrophobicContact CB-CB 4.28Å; Q89-R92 HydrophobicContact CB-CG 4.01Å; Q89-R92 PolarHBondContact O-N 3.5Å; K90-R92 VanDerWaalsContact C-N 3.34Å; K90-R92 PolarHBondContact O-N 3.34Å; R92-W96 WeakPolarHBondContact O-CB 3.42Å; R92-W96 PolarHBondContact O-N 3.4Å; R92-Y164 WeakPolarHBondContact CB-OH 2.98Å
93	I	97.6	Very high	96	Very high	9 Å²	9	58.5 Å²	58.5	5%	0.046	29%	0.286	C	S	.	.	H	α-helix	trans	-71.5	-43.5	177.5	-71	166.5	0	0	0	110.8	Q89 K90 R91 R97 F105 M107 P108 Y164	Q89-I93 PolarHBondContact O-N 3.02Å; Q89-I93 VanDerWaalsContact O-N 3.07Å; K90-I93 PolarHBondContact O-N 2.86Å; K90-I93 VanDerWaalsContact O-N 3.12Å; R91-I93 VanDerWaalsContact C-N 3.32Å; R91-I93 PolarHBondContact O-N 2.73Å; I93-R97 VanDerWaalsContact O-CB 3.3Å; I93-R97 WeakPolarHBondContact O-CB 3.48Å; I93-R97 PolarHBondContact O-N 2.87Å; I93-F105 HydrophobicContact CB-CE1 4.47Å; I93-F105 HydrophobicContact CG2-CD1 3.75Å; I93-F105 HydrophobicContact CG2-CE1 4.01Å; I93-M107 HydrophobicContact CD1-CB 4.31Å; I93-M107 HydrophobicContact CD1-CG 3.67Å; I93-M107 HydrophobicContact CG1-CB 4.27Å; I93-M107 HydrophobicContact CG1-CG 3.84Å; I93-M107 HydrophobicContact CG2-CB 4.41Å; I93-P108 WeakPolarHBondContact CD1-O 3.36Å; I93-Y164 HydrophobicContact CG1-CE1 4.34Å
94	D	97.1	Very high	95.9	Very high	39 Å²	39	59 Å²	59	21%	0.209	29%	0.288	C	S	.	.	H	α-helix	trans	-67.1	-44.8	176	-71.4	-38.4	0	0	0	111.3	K90 R91 W96 R97 E98	K90-D94 WeakPolarHBondContact CE-OD2 3.46Å; K90-D94 VanDerWaalsContact CG-OD2 3.29Å; K90-D94 WeakPolarHBondContact CG-OD2 3.39Å; K90-D94 PolarHBondContact O-N 2.94Å; R91-D94 PolarHBondContact O-N 3.3Å; D94-W96 PolarHBondContact O-N 2.97Å; D94-R97 WeakPolarHBondContact O-CB 3.47Å; D94-R97 PolarHBondContact O-N 3.2Å; D94-R97 IonicContact OD1-CZ 2.68Å; D94-R97 IonicContact OD1-NH1 2.72Å; D94-R97 PolarHBondContact OD1-NH1 3.18Å; D94-R97 IonicContact OD1-NH2 2.65Å; D94-R97 PolarHBondContact OD1-NH2 3.32Å; D94-R97 VanDerWaalsContact OD1-NH2 3.15Å; D94-E98 WeakPolarHBondContact O-CB 3.44Å; D94-E98 WeakPolarHBondContact O-CG 3.48Å; D94-E98 PolarHBondContact O-N 2.84Å
95	E	97.3	Very high	95.8	Very high	89 Å²	89	59.4 Å²	59.4	42%	0.416	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-42.8	173.6	-76.2	167.7	179.3	0	0	112.5	R91 E98 S99	R91-E95 WeakPolarHBondContact CD-OE1 3.3Å; R91-E95 HydrophobicContact CG-CG 4.32Å; R91-E95 WeakPolarHBondContact CG-OE1 3.26Å; R91-E95 IonicContact CZ-OE1 2.79Å; R91-E95 IonicContact CZ-OE2 3.49Å; R91-E95 IonicContact NE-OE1 2.71Å; R91-E95 IonicContact NH1-OE1 3.36Å; R91-E95 PolarHBondContact NH1-OE1 2.91Å; R91-E95 IonicContact NH1-OE2 3.33Å; R91-E95 PolarHBondContact NH1-OE2 3.4Å; R91-E95 VanDerWaalsContact O-CB 3.3Å; R91-E95 WeakPolarHBondContact O-CB 3.33Å; R91-E95 VanDerWaalsContact O-CG 3.22Å; R91-E95 WeakPolarHBondContact O-CG 3.49Å; R91-E95 PolarHBondContact O-N 2.77Å; E95-E98 PolarHBondContact O-N 2.67Å; E95-S99 VanDerWaalsContact O-CB 3.3Å; E95-S99 WeakPolarHBondContact O-CB 3.34Å; E95-S99 PolarHBondContact O-N 3.49Å; E95-S99 PolarHBondContact O-OG 3.26Å
96	W	97.2	Very high	95.9	Very high	37 Å²	37	55.4 Å²	55.4	14%	0.14	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-50.5	175.7	-178.6	-92.5	0	0	0	111.1	R92 D94 E98 S99 H100 F105 Q163 Y164 C167	R92-W96 WeakPolarHBondContact O-CB 3.42Å; R92-W96 PolarHBondContact O-N 3.4Å; D94-W96 PolarHBondContact O-N 2.97Å; W96-E98 VanDerWaalsContact C-N 3.28Å; W96-E98 PolarHBondContact O-N 3.38Å; W96-S99 WeakPolarHBondContact CA-OG 3.37Å; W96-S99 PolarHBondContact O-N 3.17Å; W96-S99 PolarHBondContact O-OG 3.03Å; W96-S99 VanDerWaalsContact O-OG 3.07Å; W96-H100 AromaticContact CD2-CE1 3.48Å; W96-H100 VanDerWaalsContact CD2-CE1 3.48Å; W96-H100 AromaticContact CD2-ND1 3.59Å; W96-H100 AromaticContact CE2-CE1 3.65Å; W96-H100 AromaticContact CE2-ND1 3.78Å; W96-H100 AromaticContact CE2-NE2 3.87Å; W96-H100 AromaticContact CE3-CE1 3.35Å; W96-H100 AromaticContact CE3-ND1 3.89Å; W96-H100 AromaticContact CG-ND1 3.95Å; W96-H100 AromaticContact CH2-CE1 3.62Å; W96-H100 AromaticContact CH2-NE2 3.49Å; W96-H100 WeakPolarHBondContact CH2-NE2 3.36Å; W96-H100 AromaticContact CZ2-CE1 3.73Å; W96-H100 AromaticContact CZ2-NE2 3.55Å; W96-H100 AromaticContact CZ3-CE1 3.42Å; W96-H100 VanDerWaalsContact CZ3-CE1 3.42Å; W96-H100 WeakPolarHBondContact CZ3-CE1 3.35Å; W96-H100 AromaticContact CZ3-NE2 3.78Å; W96-H100 VanDerWaalsContact O-CB 3.29Å; W96-H100 WeakPolarHBondContact O-CB 3.4Å; W96-H100 PolarHBondContact O-N 3.29Å; W96-H100 PolarHBondContact O-ND1 3.28Å; W96-F105 HydrophobicContact CB-CE1 4.22Å; W96-F105 AromaticContact CD1-CD1 3.92Å; W96-F105 AromaticContact CD1-CE1 3.41Å; W96-F105 VanDerWaalsContact CD1-CE1 3.41Å; W96-F105 AromaticContact CD1-CE2 3.81Å; W96-F105 AromaticContact CD1-CZ 3.37Å; W96-F105 HydrophobicContact CG-CE1 4.06Å; W96-F105 HydrophobicContact CG-CZ 4.23Å; W96-F105 AromaticContact NE1-CE2 3.91Å; W96-F105 AromaticContact NE1-CZ 3.75Å; W96-Q163 HydrophobicContact CZ2-CG 4.11Å; W96-Y164 HydrophobicContact CB-CD2 4.17Å; W96-Y164 HydrophobicContact CB-CE2 4.02Å; W96-Y164 AromaticContact CD2-CD2 3.36Å; W96-Y164 HydrophobicContact CD2-CD2 3.36Å; W96-Y164 AromaticContact CD2-CE2 3.98Å; W96-Y164 HydrophobicContact CD2-CE2 3.98Å; W96-Y164 HydrophobicContact CD2-CG 4.25Å; W96-Y164 AromaticContact CE2-CD2 3.72Å; W96-Y164 AromaticContact CE3-CD2 3.61Å; W96-Y164 HydrophobicContact CE3-CD2 3.61Å; W96-Y164 HydrophobicContact CE3-CE2 4.04Å; W96-Y164 AromaticContact CG-CD2 3.61Å; W96-Y164 HydrophobicContact CG-CD2 3.61Å; W96-Y164 AromaticContact CG-CE2 3.98Å; W96-Y164 HydrophobicContact CG-CE2 3.98Å; W96-Y164 HydrophobicContact CG-CG 4.36Å; W96-Y164 HydrophobicContact CH2-CD2 4.44Å; W96-Y164 HydrophobicContact CZ2-CD2 4.25Å; W96-Y164 HydrophobicContact CZ3-CD2 4.14Å; W96-C167 HydrophobicContact CH2-CB 4.03Å; W96-C167 HydrophobicContact CZ3-CB 4.41Å
97	R	97.2	Very high	96	Very high	74 Å²	74	52.6 Å²	52.6	28%	0.279	26%	0.261	S	S	.	.	H	α-helix	trans	-51.4	-47.9	176.5	174.2	-165.8	68.3	-155.8	2.3	111.6	I93 D94 G101 L102 F105	I93-R97 VanDerWaalsContact O-CB 3.3Å; I93-R97 WeakPolarHBondContact O-CB 3.48Å; I93-R97 PolarHBondContact O-N 2.87Å; D94-R97 WeakPolarHBondContact O-CB 3.47Å; D94-R97 PolarHBondContact O-N 3.2Å; D94-R97 IonicContact OD1-CZ 2.68Å; D94-R97 IonicContact OD1-NH1 2.72Å; D94-R97 PolarHBondContact OD1-NH1 3.18Å; D94-R97 IonicContact OD1-NH2 2.65Å; D94-R97 PolarHBondContact OD1-NH2 3.32Å; D94-R97 VanDerWaalsContact OD1-NH2 3.15Å; R97-G101 PolarHBondContact O-N 3.16Å; R97-L102 HydrophobicContact CG-CB 4.06Å; R97-L102 WeakPolarHBondContact CG-O 3.28Å; R97-L102 PolarHBondContact O-N 3.37Å; R97-F105 HydrophobicContact CB-CB 4.05Å; R97-F105 HydrophobicContact CB-CD1 4.3Å; R97-F105 HydrophobicContact CG-CB 4.18Å
98	E	96.1	Very high	96	Very high	130 Å²	130	52.5 Å²	52.5	61%	0.607	26%	0.26	S	S	*	.	H	α-helix	trans	-74.4	-46.6	-174.7	-74.5	166.8	-156.1	0	0	112.7	D94 E95 W96 H100 G101	D94-E98 WeakPolarHBondContact O-CB 3.44Å; D94-E98 WeakPolarHBondContact O-CG 3.48Å; D94-E98 PolarHBondContact O-N 2.84Å; E95-E98 PolarHBondContact O-N 2.67Å; W96-E98 VanDerWaalsContact C-N 3.28Å; W96-E98 PolarHBondContact O-N 3.38Å; E98-H100 PolarHBondContact O-N 3.08Å; E98-G101 PolarHBondContact O-N 2.97Å
99	S	96	Very high	96	Very high	90 Å²	90	54.6 Å²	54.6	63%	0.629	27%	0.269	S	S	*	.	H	α-helix	trans	-60.6	-27.1	175.4	53.6	0	0	0	0	113.4	E95 W96	E95-S99 VanDerWaalsContact O-CB 3.3Å; E95-S99 WeakPolarHBondContact O-CB 3.34Å; E95-S99 PolarHBondContact O-N 3.49Å; E95-S99 PolarHBondContact O-OG 3.26Å; W96-S99 WeakPolarHBondContact CA-OG 3.37Å; W96-S99 PolarHBondContact O-N 3.17Å; W96-S99 PolarHBondContact O-OG 3.03Å; W96-S99 VanDerWaalsContact O-OG 3.07Å
100	H	93	Very high	96	Very high	28 Å²	28	52.4 Å²	52.4	13%	0.13	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	6.6	177.8	-65.5	74	0	0	0	113.5	W96 E98 L102 I421	W96-H100 AromaticContact CD2-CE1 3.48Å; W96-H100 VanDerWaalsContact CD2-CE1 3.48Å; W96-H100 AromaticContact CD2-ND1 3.59Å; W96-H100 AromaticContact CE2-CE1 3.65Å; W96-H100 AromaticContact CE2-ND1 3.78Å; W96-H100 AromaticContact CE2-NE2 3.87Å; W96-H100 AromaticContact CE3-CE1 3.35Å; W96-H100 AromaticContact CE3-ND1 3.89Å; W96-H100 AromaticContact CG-ND1 3.95Å; W96-H100 AromaticContact CH2-CE1 3.62Å; W96-H100 AromaticContact CH2-NE2 3.49Å; W96-H100 WeakPolarHBondContact CH2-NE2 3.36Å; W96-H100 AromaticContact CZ2-CE1 3.73Å; W96-H100 AromaticContact CZ2-NE2 3.55Å; W96-H100 AromaticContact CZ3-CE1 3.42Å; W96-H100 VanDerWaalsContact CZ3-CE1 3.42Å; W96-H100 WeakPolarHBondContact CZ3-CE1 3.35Å; W96-H100 AromaticContact CZ3-NE2 3.78Å; W96-H100 VanDerWaalsContact O-CB 3.29Å; W96-H100 WeakPolarHBondContact O-CB 3.4Å; W96-H100 PolarHBondContact O-N 3.29Å; W96-H100 PolarHBondContact O-ND1 3.28Å; E98-H100 PolarHBondContact O-N 3.08Å; H100-L102 VanDerWaalsContact C-N 3.27Å; H100-L102 HydrophobicContact CB-CD1 4.16Å; H100-L102 HydrophobicContact CB-CG 3.93Å; H100-L102 PolarHBondContact O-N 3.42Å; H100-I421 HydrophobicContact CB-CD1 3.99Å
101	G	92.7	Very high	96	Very high	50 Å²	50	50.1 Å²	50.1	52%	0.515	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	18.7	174.4	0	0	0	0	0	115.6	R97 E98	R97-G101 PolarHBondContact O-N 3.16Å; E98-G101 PolarHBondContact O-N 2.97Å
102	L	94.2	Very high	96	Very high	14 Å²	14	43.3 Å²	43.3	7%	0.073	23%	0.228	C	C	.	.			trans	-83	126.2	-171.1	-56.1	-179.2	0	0	0	111.6	R97 H100 F104 F105 N160	R97-L102 HydrophobicContact CG-CB 4.06Å; R97-L102 WeakPolarHBondContact CG-O 3.28Å; R97-L102 PolarHBondContact O-N 3.37Å; H100-L102 VanDerWaalsContact C-N 3.27Å; H100-L102 HydrophobicContact CB-CD1 4.16Å; H100-L102 HydrophobicContact CB-CG 3.93Å; H100-L102 PolarHBondContact O-N 3.42Å; L102-F104 PolarHBondContact O-N 3.07Å; L102-F105 HydrophobicContact CD1-CB 4.27Å; L102-F105 HydrophobicContact CD1-CD2 4.03Å; L102-F105 HydrophobicContact CD1-CG 4.28Å; L102-N160 HydrophobicContact CD1-CB 4.36Å
103	T	91.6	Very high	96	Very high	95 Å²	95	39.7 Å²	39.7	58%	0.583	22%	0.216	S	C	*	.	S	Bend	trans	-79.2	-5.7	174.3	69.2	0	0	0	0	113.8	N427	T103-N427 HydrophobicContact CG2-CB 4.17Å; T103-N427 WeakPolarHBondContact OG1-CB 3.36Å; T103-N427 PolarHBondContact OG1-O 3.37Å
104	F	94.3	Very high	96	Very high	10 Å²	10	39.9 Å²	39.9	4%	0.044	22%	0.22	C	C	.	.			trans	-161.3	143.8	177.1	173.2	-90.3	0	0	0	107.7	L102 E183 W197 K198 S199 Y200 N427	L102-F104 PolarHBondContact O-N 3.07Å; F104-E183 HydrophobicContact CE2-CB 4.42Å; F104-E183 WeakPolarHBondContact CE2-OE1 3.28Å; F104-W197 HydrophobicContact CB-CH2 4.49Å; F104-W197 HydrophobicContact CB-CZ3 3.99Å; F104-W197 HydrophobicContact CD1-CZ3 4.44Å; F104-W197 HydrophobicContact CG-CZ3 4.47Å; F104-K198 HydrophobicContact CD2-CB 4.14Å; F104-K198 HydrophobicContact CD2-CG 4.12Å; F104-K198 HydrophobicContact CE2-CB 4Å; F104-K198 HydrophobicContact CE2-CG 4.49Å; F104-K198 HydrophobicContact CG-CB 4.47Å; F104-K198 HydrophobicContact CG-CG 4.2Å; F104-K198 HydrophobicContact CZ-CB 4.24Å; F104-S199 WeakPolarHBondContact CE1-O 3.28Å; F104-S199 VanDerWaalsContact CZ-N 3.29Å; F104-Y200 HydrophobicContact CE2-CD2 4.5Å; F104-Y200 HydrophobicContact CE2-CE1 4.46Å; F104-Y200 AromaticContact CE2-CE2 3.67Å; F104-Y200 HydrophobicContact CE2-CE2 3.67Å; F104-Y200 AromaticContact CE2-CZ 3.65Å; F104-Y200 HydrophobicContact CZ-CD2 4.1Å; F104-Y200 HydrophobicContact CZ-CE1 4.3Å; F104-Y200 AromaticContact CZ-CE2 3.71Å; F104-Y200 HydrophobicContact CZ-CE2 3.71Å; F104-Y200 AromaticContact CZ-CZ 3.82Å; F104-N427 PolarHBondContact O-ND2 2.54Å
105	F	97	Very high	96	Very high	9 Å²	9	41.5 Å²	41.5	4%	0.039	23%	0.228	C	C	.	.			trans	-143.3	117.8	177.7	177.5	-137.8	0	0	0	110.2	I93 W96 R97 L102 M107 N160 V161 Y164	I93-F105 HydrophobicContact CB-CE1 4.47Å; I93-F105 HydrophobicContact CG2-CD1 3.75Å; I93-F105 HydrophobicContact CG2-CE1 4.01Å; W96-F105 HydrophobicContact CB-CE1 4.22Å; W96-F105 AromaticContact CD1-CD1 3.92Å; W96-F105 AromaticContact CD1-CE1 3.41Å; W96-F105 VanDerWaalsContact CD1-CE1 3.41Å; W96-F105 AromaticContact CD1-CE2 3.81Å; W96-F105 AromaticContact CD1-CZ 3.37Å; W96-F105 HydrophobicContact CG-CE1 4.06Å; W96-F105 HydrophobicContact CG-CZ 4.23Å; W96-F105 AromaticContact NE1-CE2 3.91Å; W96-F105 AromaticContact NE1-CZ 3.75Å; R97-F105 HydrophobicContact CB-CB 4.05Å; R97-F105 HydrophobicContact CB-CD1 4.3Å; R97-F105 HydrophobicContact CG-CB 4.18Å; L102-F105 HydrophobicContact CD1-CB 4.27Å; L102-F105 HydrophobicContact CD1-CD2 4.03Å; L102-F105 HydrophobicContact CD1-CG 4.28Å; F105-M107 HydrophobicContact CD1-CB 4.07Å; F105-M107 HydrophobicContact CE1-CB 3.51Å; F105-M107 HydrophobicContact CE1-CG 4.37Å; F105-M107 HydrophobicContact CE2-CB 4.14Å; F105-M107 HydrophobicContact CZ-CB 3.53Å; F105-M107 HydrophobicContact CZ-CG 4.4Å; F105-M107 PolarHBondContact O-N 2.98Å; F105-N160 HydrophobicContact CD2-CB 4.42Å; F105-V161 HydrophobicContact CD2-CG2 4.38Å; F105-V161 HydrophobicContact CE2-CG2 4.05Å; F105-Y164 HydrophobicContact CE1-CD1 4.27Å; F105-Y164 HydrophobicContact CE1-CG 4.33Å; F105-Y164 AromaticContact CZ-CD1 3.75Å; F105-Y164 HydrophobicContact CZ-CD1 3.75Å; F105-Y164 HydrophobicContact CZ-CD2 4.34Å; F105-Y164 HydrophobicContact CZ-CE1 4.46Å; F105-Y164 AromaticContact CZ-CG 3.67Å; F105-Y164 HydrophobicContact CZ-CG 3.67Å
106	G	97.1	Very high	95.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.01	21%	0.213	C	C	.	.			trans	-77.3	24.2	-169.5	0	0	0	0	0	116.3	V161 S199 Y200 V201	G106-V161 VanDerWaalsContact C-CG2 3.47Å; G106-S199 VanDerWaalsContact CA-O 3.23Å; G106-S199 WeakPolarHBondContact CA-O 3.49Å; G106-Y200 VanDerWaalsContact O-CA 3.29Å; G106-Y200 WeakPolarHBondContact O-CA 3.36Å; G106-V201 PolarHBondContact O-N 2.63Å
107	M	97.6	Very high	95.9	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-92.2	117.6	175.6	-176.1	67.8	-156.5	0	0	109.6	L83 V87 I93 F105 V161 Y164 L165 F204	L83-M107 HydrophobicContact CD2-CE 4.01Å; V87-M107 HydrophobicContact CG2-CE 4.16Å; I93-M107 HydrophobicContact CD1-CB 4.31Å; I93-M107 HydrophobicContact CD1-CG 3.67Å; I93-M107 HydrophobicContact CG1-CB 4.27Å; I93-M107 HydrophobicContact CG1-CG 3.84Å; I93-M107 HydrophobicContact CG2-CB 4.41Å; F105-M107 HydrophobicContact CD1-CB 4.07Å; F105-M107 HydrophobicContact CE1-CB 3.51Å; F105-M107 HydrophobicContact CE1-CG 4.37Å; F105-M107 HydrophobicContact CE2-CB 4.14Å; F105-M107 HydrophobicContact CZ-CB 3.53Å; F105-M107 HydrophobicContact CZ-CG 4.4Å; F105-M107 PolarHBondContact O-N 2.98Å; M107-V161 HydrophobicContact SD-CG1 4.14Å; M107-Y164 HydrophobicContact CB-CD1 4.47Å; M107-Y164 HydrophobicContact CG-CD1 3.97Å; M107-Y164 HydrophobicContact CG-CE1 3.85Å; M107-Y164 HydrophobicContact SD-CD1 4.13Å; M107-Y164 HydrophobicContact SD-CE1 4.29Å; M107-L165 HydrophobicContact SD-CD2 4.41Å; M107-F204 HydrophobicContact CE-CE1 4.45Å; M107-F204 HydrophobicContact CE-CE2 4.13Å; M107-F204 HydrophobicContact CE-CZ 3.83Å; M107-F204 HydrophobicContact SD-CZ 4Å
108	P	96.8	Very high	95.7	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-68.6	144.5	174.4	29.7	-36.3	0	0	0	110.9	Y84 I93 Y131 V201 F204	Y84-P108 HydrophobicContact CE1-CB 4.11Å; Y84-P108 HydrophobicContact CE1-CG 3.83Å; Y84-P108 VanDerWaalsContact OH-CG 3.22Å; Y84-P108 WeakPolarHBondContact OH-CG 3.14Å; I93-P108 WeakPolarHBondContact CD1-O 3.36Å; P108-Y131 WeakPolarHBondContact CA-OH 3.42Å; P108-Y131 HydrophobicContact CB-CE2 3.88Å; P108-Y131 WeakPolarHBondContact CB-OH 3.29Å; P108-V201 WeakPolarHBondContact CD-O 3.38Å; P108-V201 WeakPolarHBondContact CG-O 3.26Å; P108-F204 HydrophobicContact CG-CE2 3.81Å; P108-F204 HydrophobicContact CG-CZ 4.25Å
109	Y	97	Very high	95.5	Very high	44 Å²	44	41.1 Å²	41.1	17%	0.173	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-98.6	148.9	174.1	65.3	-89.7	0	0	0	111.7	G88 K90 L111 P129	G88-Y109 CarbonylContact O-C 3.19Å; G88-Y109 VanDerWaalsContact O-CA 3.26Å; G88-Y109 WeakPolarHBondContact O-CA 3.28Å; K90-Y109 HydrophobicContact CB-CD2 4.06Å; K90-Y109 HydrophobicContact CB-CG 4.09Å; K90-Y109 HydrophobicContact CD-CD2 4.12Å; K90-Y109 HydrophobicContact CD-CE2 4.02Å; K90-Y109 HydrophobicContact CD-CG 4.41Å; K90-Y109 HydrophobicContact CG-CD2 4.39Å; K90-Y109 HydrophobicContact CG-CG 4.32Å; Y109-L111 HydrophobicContact CD2-CD2 4.41Å; Y109-L111 HydrophobicContact CE2-CD2 3.67Å; Y109-L111 HydrophobicContact CE2-CG 4.19Å; Y109-P129 HydrophobicContact CD1-CG 3.98Å; Y109-P129 HydrophobicContact CD2-CG 4.23Å; Y109-P129 HydrophobicContact CE1-CG 3.56Å; Y109-P129 HydrophobicContact CE2-CG 3.86Å; Y109-P129 HydrophobicContact CG-CG 4.3Å; Y109-P129 VanDerWaalsContact CZ-CG 3.49Å; Y109-P129 WeakPolarHBondContact O-CD 3.43Å
110	L	96.8	Very high	95.3	Very high	38 Å²	38	41 Å²	41	20%	0.199	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-69.6	126.8	172.6	-176.5	59.9	0	0	0	109.5	Y84 Q85 G88 A112 L126	Y84-L110 HydrophobicContact CD1-CB 4.17Å; Y84-L110 HydrophobicContact CG-CD1 4.45Å; Q85-L110 HydrophobicContact CG-CD2 4.03Å; G88-L110 PolarHBondContact O-N 3.37Å; L110-A112 VanDerWaalsContact CD1-O 3.27Å; L110-A112 WeakPolarHBondContact CD1-O 3.47Å; L110-L126 HydrophobicContact CD1-CD1 3.4Å; L110-L126 VanDerWaalsContact CD1-CD1 3.4Å
111	L	95.8	Very high	95.3	Very high	57 Å²	57	45.6 Å²	45.6	30%	0.298	26%	0.26	S	S	.	.			trans	-88.2	-52.2	165.1	-75.9	170.4	0	0	0	110.2	W37 A65 Y109 I127 P129	W37-L111 HydrophobicContact CH2-CB 4.03Å; W37-L111 HydrophobicContact CH2-CD1 4.4Å; W37-L111 HydrophobicContact CZ2-CB 4.38Å; A65-L111 HydrophobicContact CB-CD1 3.65Å; Y109-L111 HydrophobicContact CD2-CD2 4.41Å; Y109-L111 HydrophobicContact CE2-CD2 3.67Å; Y109-L111 HydrophobicContact CE2-CG 4.19Å; L111-I127 HydrophobicContact CB-CB 4.37Å; L111-I127 HydrophobicContact CB-CG2 4.04Å; L111-I127 WeakPolarHBondContact CB-O 3.43Å; L111-I127 HydrophobicContact CD1-CG2 4.18Å; L111-I127 PolarHBondContact N-O 2.72Å; L111-P129 HydrophobicContact CD1-CG 4.27Å; L111-P129 HydrophobicContact CG-CG 4.33Å
112	A	96.3	Very high	95.4	Very high	7 Å²	7	47 Å²	47	6%	0.058	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	161.9	-179.6	0	0	0	0	0	112.1	D31 W37 L110 I127	D31-A112 HydrophobicContact CB-CB 3.77Å; D31-A112 WeakPolarHBondContact OD2-CB 3.27Å; W37-A112 HydrophobicContact CZ2-CB 3.72Å; L110-A112 VanDerWaalsContact CD1-O 3.27Å; L110-A112 WeakPolarHBondContact CD1-O 3.47Å; A112-I127 HydrophobicContact CB-CB 4.13Å; A112-I127 HydrophobicContact CB-CD1 4.24Å; A112-I127 HydrophobicContact CB-CG1 4.34Å; A112-I127 PolarHBondContact N-O 2.89Å; A112-I127 PolarHBondContact O-N 3.14Å
113	S	97.3	Very high	95.4	Very high	12 Å²	12	46.4 Å²	46.4	8%	0.084	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	153.8	169	60.4	0	0	0	0	109.8	A32 Q85 F125	A32-S113 PolarHBondContact N-O 3.2Å; A32-S113 VanDerWaalsContact N-O 3.1Å; Q85-S113 PolarHBondContact NE2-OG 3.31Å; S113-F125 VanDerWaalsContact CA-O 3.28Å; S113-F125 WeakPolarHBondContact CA-O 3.26Å
114	G	96.9	Very high	95.6	Very high	13 Å²	13	43.5 Å²	43.5	13%	0.134	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.8	-172.3	180	0	0	0	0	0	114.4	F125	G114-F125 VanDerWaalsContact C-CE1 3.47Å; G114-F125 PolarHBondContact N-O 2.9Å; G114-F125 WeakPolarHBondContact O-CD1 3.42Å; G114-F125 PolarHBondContact O-N 3.33Å
115	I	96.9	Very high	95.8	Very high	73 Å²	73	43 Å²	43	37%	0.374	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.8	172.8	-63.5	-59.3	0	0	0	107.8	E122 Y123 R124	I115-E122 HydrophobicContact CG2-CG 3.37Å; I115-E122 WeakPolarHBondContact CG2-OE2 3.35Å; I115-Y123 CarbonylContact C-O 3.45Å; I115-Y123 WeakPolarHBondContact CA-O 3.38Å; I115-R124 HydrophobicContact CD1-CB 3.97Å; I115-R124 HydrophobicContact CD1-CG 4Å
116	H	96.8	Very high	95.8	Very high	23 Å²	23	42.7 Å²	42.7	11%	0.106	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.2	178.3	-172.5	67.4	0	0	0	110.6	E27 V28 L29 Y123 F125	E27-H116 IonicContact OE1-CD2 2.72Å; E27-H116 IonicContact OE1-CE1 3.08Å; E27-H116 IonicContact OE1-NE2 3.15Å; E27-H116 PolarHBondContact OE1-NE2 2.8Å; V28-H116 PolarHBondContact O-CE1 3.16Å; V28-H116 VanDerWaalsContact O-CE1 3.29Å; L29-H116 HydrophobicContact CD2-CB 3.85Å; H116-Y123 PolarHBondContact N-O 2.94Å; H116-Y123 PolarHBondContact O-N 3.33Å; H116-F125 HydrophobicContact CB-CD1 4.04Å; H116-F125 HydrophobicContact CB-CE1 4.2Å
117	H	95.8	Very high	95.8	Very high	129 Å²	129	42.7 Å²	42.7	60%	0.597	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.4	-179.4	-81.2	79.4	0	0	0	109.8	R121 E122	H117-R121 WeakPolarHBondContact CA-O 3.34Å; H117-E122 IonicContact CE1-OE2 3.73Å; H117-E122 PolarHBondContact CE1-OE2 2.86Å; H117-E122 IonicContact NE2-OE2 2.82Å
118	S	93.4	Very high	95.7	Very high	15 Å²	15	43.5 Å²	43.5	11%	0.105	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	142.6	-177.7	-165.6	0	0	0	0	111.9	E27 G120 R121 Y123	E27-S118 WeakPolarHBondContact OE1-CB 3.39Å; E27-S118 PolarHBondContact OE1-OG 2.9Å; S118-G120 PolarHBondContact O-N 2.91Å; S118-G120 VanDerWaalsContact O-N 3.12Å; S118-R121 PolarHBondContact N-O 2.95Å; S118-R121 PolarHBondContact O-N 3.07Å; S118-Y123 WeakPolarHBondContact O-CE2 3.34Å
119	F	91.2	Very high	95.6	Very high	155 Å²	155	43.8 Å²	43.8	68%	0.68	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.8	39.4	-177	-56.5	-82.1	0	0	0	114.8	L23 P24 R121	L23-F119 HydrophobicContact CD2-CD2 4.06Å; L23-F119 HydrophobicContact CD2-CE2 4.33Å; P24-F119 HydrophobicContact CG-CE2 4.35Å; P24-F119 HydrophobicContact CG-CZ 4.46Å; F119-R121 VanDerWaalsContact C-N 3.31Å; F119-R121 PolarHBondContact O-N 2.92Å
120	G	91.9	Very high	95.5	Very high	88 Å²	88	46.3 Å²	46.3	91%	0.907	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	20.7	-179.1	0	0	0	0	0	114.8	S118	S118-G120 PolarHBondContact O-N 2.91Å; S118-G120 VanDerWaalsContact O-N 3.12Å
121	R	92.9	Very high	95.4	Very high	123 Å²	123	45.7 Å²	45.7	46%	0.464	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.6	-179.8	-55.2	-179.1	-162.7	-159.2	3.1	111.1	L71 H117 S118 F119 Y123	L71-R121 HydrophobicContact CD2-CB 4.41Å; H117-R121 WeakPolarHBondContact CA-O 3.34Å; S118-R121 PolarHBondContact N-O 2.95Å; S118-R121 PolarHBondContact O-N 3.07Å; F119-R121 VanDerWaalsContact C-N 3.31Å; F119-R121 PolarHBondContact O-N 2.92Å; R121-Y123 HydrophobicContact CB-CE2 3.73Å
122	E	94.9	Very high	95.2	Very high	80 Å²	80	43.6 Å²	43.6	37%	0.374	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.2	172.9	-170.4	-175.2	63.6	0	0	109.8	S72 I115 H117	S72-E122 WeakPolarHBondContact CB-OE1 3.27Å; S72-E122 PolarHBondContact N-O 3.27Å; S72-E122 PolarHBondContact OG-OE1 2.94Å; I115-E122 HydrophobicContact CG2-CG 3.37Å; I115-E122 WeakPolarHBondContact CG2-OE2 3.35Å; H117-E122 IonicContact CE1-OE2 3.73Å; H117-E122 PolarHBondContact CE1-OE2 2.86Å; H117-E122 IonicContact NE2-OE2 2.82Å
123	Y	95.4	Very high	94.9	Very high	2 Å²	2	46 Å²	46	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.8	176.6	-57.2	-100.3	0	0	0	109.1	A20 P21 L23 E70 L71 I115 H116 S118 R121	A20-Y123 HydrophobicContact CB-CD1 4.17Å; A20-Y123 HydrophobicContact CB-CE1 4.04Å; P21-Y123 WeakPolarHBondContact CG-OH 3.37Å; L23-Y123 HydrophobicContact CD1-CD2 4.37Å; L23-Y123 HydrophobicContact CD1-CE2 4.47Å; L23-Y123 HydrophobicContact CD2-CD2 4.48Å; L23-Y123 HydrophobicContact CD2-CE1 4.21Å; L23-Y123 HydrophobicContact CD2-CE2 3.8Å; L23-Y123 HydrophobicContact CG-CE1 4.45Å; E70-Y123 CarbonylContact O-C 3.59Å; E70-Y123 VanDerWaalsContact O-CA 3.25Å; E70-Y123 WeakPolarHBondContact O-CA 3.27Å; L71-Y123 HydrophobicContact CD2-CD1 4.04Å; L71-Y123 HydrophobicContact CD2-CE1 3.8Å; I115-Y123 CarbonylContact C-O 3.45Å; I115-Y123 WeakPolarHBondContact CA-O 3.38Å; H116-Y123 PolarHBondContact N-O 2.94Å; H116-Y123 PolarHBondContact O-N 3.33Å; S118-Y123 WeakPolarHBondContact O-CE2 3.34Å; R121-Y123 HydrophobicContact CB-CE2 3.73Å
124	R	96.3	Very high	94.8	Very high	33 Å²	33	46 Å²	46	13%	0.125	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	141.9	162.9	-170.7	179.2	-58.2	99.7	4.3	108.6	E70 S72 N74 L77 I81 I115	E70-R124 PolarHBondContact N-O 3.38Å; E70-R124 VanDerWaalsContact N-O 3.07Å; E70-R124 PolarHBondContact O-N 3.02Å; S72-R124 VanDerWaalsContact O-CZ 3.29Å; S72-R124 PolarHBondContact O-NH1 3.41Å; S72-R124 PolarHBondContact O-NH2 2.84Å; N74-R124 PolarHBondContact O-NH1 3.27Å; L77-R124 HydrophobicContact CD2-CB 4.28Å; L77-R124 HydrophobicContact CD2-CG 4.4Å; L77-R124 WeakPolarHBondContact CD2-O 3.49Å; L77-R124 HydrophobicContact CG-CG 4.43Å; I81-R124 HydrophobicContact CD1-CG 3.54Å; I115-R124 HydrophobicContact CD1-CB 3.97Å; I115-R124 HydrophobicContact CD1-CG 4Å
125	F	96.9	Very high	94.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.6	177.3	74.1	-97.1	0	0	0	113.2	L29 V30 D31 K68 L69 I81 S113 G114 H116 I127	L29-F125 HydrophobicContact CB-CD1 4.43Å; L29-F125 HydrophobicContact CB-CE1 3.95Å; L29-F125 HydrophobicContact CB-CE2 4.18Å; L29-F125 HydrophobicContact CB-CZ 3.79Å; L29-F125 HydrophobicContact CD1-CB 4.18Å; L29-F125 HydrophobicContact CD1-CD1 4.15Å; L29-F125 HydrophobicContact CD1-CD2 3.79Å; L29-F125 HydrophobicContact CD1-CE1 4.43Å; L29-F125 HydrophobicContact CD1-CE2 4.1Å; L29-F125 HydrophobicContact CD1-CG 3.8Å; L29-F125 HydrophobicContact CD1-CZ 4.39Å; V30-F125 WeakPolarHBondContact O-CE1 3.5Å; V30-F125 WeakPolarHBondContact O-CZ 3.17Å; D31-F125 HydrophobicContact CB-CE2 4.22Å; D31-F125 HydrophobicContact CB-CZ 4.04Å; K68-F125 WeakPolarHBondContact O-CA 3.4Å; L69-F125 HydrophobicContact CD1-CB 4.19Å; L69-F125 HydrophobicContact CG-CB 3.91Å; I81-F125 WeakPolarHBondContact CD1-O 3.46Å; S113-F125 VanDerWaalsContact CA-O 3.28Å; S113-F125 WeakPolarHBondContact CA-O 3.26Å; G114-F125 VanDerWaalsContact C-CE1 3.47Å; G114-F125 PolarHBondContact N-O 2.9Å; G114-F125 WeakPolarHBondContact O-CD1 3.42Å; G114-F125 PolarHBondContact O-N 3.33Å; H116-F125 HydrophobicContact CB-CD1 4.04Å; H116-F125 HydrophobicContact CB-CE1 4.2Å; F125-I127 HydrophobicContact CD2-CD1 4.06Å; F125-I127 HydrophobicContact CD2-CG1 3.86Å; F125-I127 HydrophobicContact CE2-CD1 3.86Å; F125-I127 HydrophobicContact CE2-CG1 4.07Å
126	L	97	Very high	94.5	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.8	174.4	168.9	68.4	0	0	0	108.2	A67 K68 L77 E80 I81 Y84 L110 I128	A67-L126 CarbonylContact C-O 3.5Å; A67-L126 WeakPolarHBondContact CA-O 3.4Å; K68-L126 HydrophobicContact CB-CB 4.5Å; K68-L126 PolarHBondContact N-O 3.07Å; K68-L126 PolarHBondContact O-N 2.86Å; L77-L126 HydrophobicContact CD1-CB 3.68Å; L77-L126 HydrophobicContact CD1-CD2 4.06Å; E80-L126 HydrophobicContact CG-CD2 3.76Å; I81-L126 HydrophobicContact CD1-CB 3.97Å; I81-L126 HydrophobicContact CG1-CB 3.85Å; I81-L126 HydrophobicContact CG1-CD1 3.95Å; I81-L126 HydrophobicContact CG1-CG 4.37Å; Y84-L126 HydrophobicContact CD2-CD1 3.79Å; Y84-L126 HydrophobicContact CD2-CD2 3.92Å; Y84-L126 HydrophobicContact CE2-CD1 4.21Å; Y84-L126 HydrophobicContact CE2-CD2 3.68Å; Y84-L126 HydrophobicContact CG-CD1 4.1Å; L110-L126 HydrophobicContact CD1-CD1 3.4Å; L110-L126 VanDerWaalsContact CD1-CD1 3.4Å; L126-I128 HydrophobicContact CD1-CG2 3.97Å; L126-I128 HydrophobicContact CD2-CG2 4.35Å; L126-I128 HydrophobicContact CG-CG2 4.05Å
127	I	97.3	Very high	94.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.5	173.6	-50.6	-172.7	0	0	0	109.3	W37 V54 A65 V66 A67 L111 A112 F125	W37-I127 HydrophobicContact CB-CD1 3.71Å; W37-I127 HydrophobicContact CD2-CD1 3.49Å; W37-I127 VanDerWaalsContact CD2-CD1 3.49Å; W37-I127 HydrophobicContact CE3-CD1 4.03Å; W37-I127 HydrophobicContact CE3-CG2 4.2Å; W37-I127 HydrophobicContact CG-CD1 3.35Å; W37-I127 HydrophobicContact CH2-CG2 4.43Å; W37-I127 HydrophobicContact CZ3-CG2 4.16Å; V54-I127 HydrophobicContact CG2-CD1 4.3Å; V54-I127 HydrophobicContact CG2-CG2 3.72Å; A65-I127 HydrophobicContact CB-CG2 4.06Å; V66-I127 WeakPolarHBondContact O-CA 3.37Å; A67-I127 HydrophobicContact CB-CD1 4.5Å; A67-I127 HydrophobicContact CB-CG1 3.99Å; L111-I127 HydrophobicContact CB-CB 4.37Å; L111-I127 HydrophobicContact CB-CG2 4.04Å; L111-I127 WeakPolarHBondContact CB-O 3.43Å; L111-I127 HydrophobicContact CD1-CG2 4.18Å; L111-I127 PolarHBondContact N-O 2.72Å; A112-I127 HydrophobicContact CB-CB 4.13Å; A112-I127 HydrophobicContact CB-CD1 4.24Å; A112-I127 HydrophobicContact CB-CG1 4.34Å; A112-I127 PolarHBondContact N-O 2.89Å; A112-I127 PolarHBondContact O-N 3.14Å; F125-I127 HydrophobicContact CD2-CD1 4.06Å; F125-I127 HydrophobicContact CD2-CG1 3.86Å; F125-I127 HydrophobicContact CE2-CD1 3.86Å; F125-I127 HydrophobicContact CE2-CG1 4.07Å
128	I	96.4	Very high	94.1	Very high	19 Å²	19	38.6 Å²	38.6	10%	0.097	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	162.4	178.7	59.7	171.2	0	0	0	110.3	A65 V66 Y84 L126	A65-I128 WeakPolarHBondContact CA-O 3.04Å; V66-I128 HydrophobicContact CG2-CD1 4.47Å; V66-I128 HydrophobicContact CG2-CG1 3.82Å; V66-I128 PolarHBondContact N-O 3.03Å; V66-I128 PolarHBondContact O-N 2.94Å; V66-I128 VanDerWaalsContact O-N 3.1Å; Y84-I128 HydrophobicContact CD1-CG2 4.35Å; Y84-I128 HydrophobicContact CE1-CG2 3.75Å; Y84-I128 HydrophobicContact CE2-CG2 4.34Å; L126-I128 HydrophobicContact CD1-CG2 3.97Å; L126-I128 HydrophobicContact CD2-CG2 4.35Å; L126-I128 HydrophobicContact CG-CG2 4.05Å
129	P	95.6	Very high	94.1	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.032	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	145.7	171.2	-24.2	34.4	0	0	0	111.8	T63 Y109 L111 Y131	T63-P129 HydrophobicContact CG2-CB 4Å; T63-P129 HydrophobicContact CG2-CG 4.5Å; Y109-P129 HydrophobicContact CD1-CG 3.98Å; Y109-P129 HydrophobicContact CD2-CG 4.23Å; Y109-P129 HydrophobicContact CE1-CG 3.56Å; Y109-P129 HydrophobicContact CE2-CG 3.86Å; Y109-P129 HydrophobicContact CG-CG 4.3Å; Y109-P129 VanDerWaalsContact CZ-CG 3.49Å; Y109-P129 WeakPolarHBondContact O-CD 3.43Å; L111-P129 HydrophobicContact CD1-CG 4.27Å; L111-P129 HydrophobicContact CG-CG 4.33Å; P129-Y131 HydrophobicContact CB-CE1 4.21Å; P129-Y131 HydrophobicContact CB-CE2 4.49Å; P129-Y131 WeakPolarHBondContact O-CD2 3.36Å; P129-Y131 VanDerWaalsContact O-CE2 3.28Å; P129-Y131 WeakPolarHBondContact O-CE2 3.37Å
130	R	94.4	Very high	94.1	Very high	98 Å²	98	35.5 Å²	35.5	37%	0.37	20%	0.197	S	C	.	.			trans	-82.1	126.3	176.1	-178.8	-177.9	168.3	177.4	-2.9	109.9	P64 V66 L185	P64-R130 HydrophobicContact CB-CB 4.13Å; P64-R130 VanDerWaalsContact O-CB 3.25Å; P64-R130 WeakPolarHBondContact O-CB 3.41Å; P64-R130 PolarHBondContact O-N 3.35Å; V66-R130 HydrophobicContact CG1-CB 3.96Å; V66-R130 HydrophobicContact CG1-CG 3.87Å; R130-L185 HydrophobicContact CG-CD2 4.11Å
131	Y	93.6	Very high	94	Very high	24 Å²	24	35.9 Å²	35.9	9%	0.094	19%	0.186	C	C	.	.			trans	-104.1	176	173.2	-55.1	-63.6	0	0	0	111.8	P108 P129 L181 L185 Y200 I202	P108-Y131 WeakPolarHBondContact CA-OH 3.42Å; P108-Y131 HydrophobicContact CB-CE2 3.88Å; P108-Y131 WeakPolarHBondContact CB-OH 3.29Å; P129-Y131 HydrophobicContact CB-CE1 4.21Å; P129-Y131 HydrophobicContact CB-CE2 4.49Å; P129-Y131 WeakPolarHBondContact O-CD2 3.36Å; P129-Y131 VanDerWaalsContact O-CE2 3.28Å; P129-Y131 WeakPolarHBondContact O-CE2 3.37Å; Y131-L181 HydrophobicContact CG-CB 4.4Å; Y131-L185 WeakPolarHBondContact O-CD2 3.43Å; Y131-Y200 AromaticContact CD1-CD2 3.31Å; Y131-Y200 HydrophobicContact CD1-CD2 3.31Å; Y131-Y200 AromaticContact CD1-CE2 3.76Å; Y131-Y200 HydrophobicContact CD1-CE2 3.76Å; Y131-Y200 AromaticContact CD1-CG 3.81Å; Y131-Y200 HydrophobicContact CD1-CG 3.81Å; Y131-Y200 HydrophobicContact CD2-CG 4.46Å; Y131-Y200 AromaticContact CE1-CD1 3.79Å; Y131-Y200 HydrophobicContact CE1-CD1 3.79Å; Y131-Y200 AromaticContact CE1-CD2 3.19Å; Y131-Y200 HydrophobicContact CE1-CD2 3.19Å; Y131-Y200 AromaticContact CE1-CE1 4Å; Y131-Y200 HydrophobicContact CE1-CE1 4Å; Y131-Y200 AromaticContact CE1-CE2 3.43Å; Y131-Y200 HydrophobicContact CE1-CE2 3.43Å; Y131-Y200 VanDerWaalsContact CE1-CE2 3.43Å; Y131-Y200 AromaticContact CE1-CG 3.38Å; Y131-Y200 HydrophobicContact CE1-CG 3.38Å; Y131-Y200 AromaticContact CE1-CZ 3.83Å; Y131-Y200 HydrophobicContact CE2-CG 4.1Å; Y131-Y200 HydrophobicContact CG-CD2 4.07Å; Y131-Y200 HydrophobicContact CG-CG 4.32Å; Y131-Y200 AromaticContact CZ-CD1 3.72Å; Y131-Y200 AromaticContact CZ-CD2 3.88Å; Y131-Y200 AromaticContact CZ-CG 3.54Å; Y131-I202 HydrophobicContact CD2-CG2 4.18Å; Y131-I202 HydrophobicContact CE2-CG2 4.34Å
132	G	91.9	Very high	93.7	Very high	14 Å²	14	32.4 Å²	32.4	14%	0.144	18%	0.183	C	C	.	.			trans	-76.6	-155.5	177.7	0	0	0	0	0	113.3	V182	G132-V182 WeakPolarHBondContact CA-O 3.29Å; G132-V182 PolarHBondContact N-O 3.22Å
133	I	91.1	Very high	93.5	Very high	57 Å²	57	32 Å²	32	29%	0.292	20%	0.2	S	C	.	.			trans	-72.8	162	177.8	58.5	171.3	0	0	0	112.1	L138 V182 V187	I133-L138 HydrophobicContact CD1-CD2 3.69Å; I133-L138 HydrophobicContact CD1-CG 3.7Å; I133-L138 HydrophobicContact CG1-CD1 4.39Å; I133-L138 HydrophobicContact CG1-CD2 4.34Å; I133-L138 HydrophobicContact CG1-CG 3.99Å; I133-V182 HydrophobicContact CG1-CG2 4.46Å; I133-V182 PolarHBondContact O-N 2.88Å; I133-V182 VanDerWaalsContact O-N 3.11Å; I133-V187 HydrophobicContact CD1-CG1 4.13Å; I133-V187 HydrophobicContact CD1-CG2 3.82Å; I133-V187 HydrophobicContact CG1-CG2 4.37Å
134	S	93.7	Very high	93.3	Very high	12 Å²	12	32.7 Å²	32.7	8%	0.084	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-70.8	152.6	178.4	70.6	0	0	0	0	112.4	E136 S137 L138 G177 V180	S134-E136 PolarHBondContact O-N 3.09Å; S134-S137 WeakPolarHBondContact O-CB 3.46Å; S134-S137 PolarHBondContact O-N 2.73Å; S134-S137 VanDerWaalsContact O-N 3.09Å; S134-S137 WeakPolarHBondContact OG-CB 3.41Å; S134-S137 PolarHBondContact OG-N 3.37Å; S134-S137 PolarHBondContact OG-OG 3.27Å; S134-L138 PolarHBondContact O-N 3.15Å; S134-G177 WeakPolarHBondContact CB-O 3.3Å; S134-V180 CarbonylContact C-O 3.58Å; S134-V180 WeakPolarHBondContact CA-O 3.15Å
135	V	94.3	Very high	93.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-55.9	-36.3	170.2	163	0	0	0	0	110.5	L138 R139 F146 L154 G177 V180 V182 W257	V135-L138 WeakPolarHBondContact O-CB 3.47Å; V135-L138 PolarHBondContact O-N 2.91Å; V135-R139 WeakPolarHBondContact O-CB 3.5Å; V135-R139 PolarHBondContact O-N 3.17Å; V135-F146 HydrophobicContact CG1-CE2 3.8Å; V135-F146 HydrophobicContact CG1-CZ 4.29Å; V135-F146 WeakPolarHBondContact O-CZ 3.48Å; V135-L154 HydrophobicContact CG1-CD2 3.66Å; V135-L154 HydrophobicContact CG2-CD1 4.31Å; V135-L154 HydrophobicContact CG2-CD2 4.11Å; V135-G177 PolarHBondContact N-O 3.29Å; V135-G177 VanDerWaalsContact N-O 3.14Å; V135-V180 HydrophobicContact CB-CB 4.31Å; V135-V180 HydrophobicContact CB-CG1 4.48Å; V135-V180 HydrophobicContact CG2-CB 4.01Å; V135-V180 HydrophobicContact CG2-CG1 3.66Å; V135-V180 WeakPolarHBondContact CG2-O 3.45Å; V135-V180 PolarHBondContact N-O 2.72Å; V135-V182 HydrophobicContact CG2-CG1 4.45Å; V135-W257 HydrophobicContact CG1-CZ2 4.16Å
136	E	94.7	Very high	93.1	Very high	31 Å²	31	34 Å²	34	15%	0.145	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-39.2	175.3	-176.3	50.8	-141.1	0	0	112.7	S134 L138 R139 S140 G177	S134-E136 PolarHBondContact O-N 3.09Å; E136-L138 VanDerWaalsContact C-N 3.29Å; E136-L138 PolarHBondContact O-N 2.87Å; E136-R139 PolarHBondContact O-N 2.68Å; E136-R139 IonicContact OE1-CZ 3.67Å; E136-R139 IonicContact OE1-NE 2.83Å; E136-R139 PolarHBondContact OE1-NE 2.94Å; E136-R139 IonicContact OE1-NH2 3.7Å; E136-R139 PolarHBondContact OE1-NH2 3.31Å; E136-R139 IonicContact OE2-CZ 3.9Å; E136-R139 IonicContact OE2-NE 3.85Å; E136-R139 PolarHBondContact OE2-NE 3.14Å; E136-R139 IonicContact OE2-NH2 3.72Å; E136-R139 PolarHBondContact OE2-NH2 3.37Å; E136-S140 WeakPolarHBondContact O-CB 3.43Å; E136-S140 PolarHBondContact O-N 2.98Å; E136-S140 PolarHBondContact O-OG 3.02Å; E136-S140 PolarHBondContact OE1-OG 3.27Å; E136-G177 VanDerWaalsContact CB-C 3.5Å; E136-G177 PolarHBondContact N-O 2.94Å
137	S	92.4	Very high	92.8	Very high	42 Å²	42	38.8 Å²	38.8	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-62.1	-38.9	173.4	-58.4	0	0	0	0	111.5	S134 S141	S134-S137 WeakPolarHBondContact O-CB 3.46Å; S134-S137 PolarHBondContact O-N 2.73Å; S134-S137 VanDerWaalsContact O-N 3.09Å; S134-S137 WeakPolarHBondContact OG-CB 3.41Å; S134-S137 PolarHBondContact OG-N 3.37Å; S134-S137 PolarHBondContact OG-OG 3.27Å; S137-S141 WeakPolarHBondContact O-CB 3.4Å; S137-S141 PolarHBondContact O-N 2.83Å; S137-S141 VanDerWaalsContact O-N 3.09Å; S137-S141 PolarHBondContact O-OG 2.61Å
138	L	92	Very high	92.6	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.052	25%	0.247	C	C	.	.	H	α-helix	trans	-68	-44.6	174	-78.1	167.5	0	0	0	112	I133 S134 V135 E136 S140 S141 A142 F146 V182 V187 Y190 I196	I133-L138 HydrophobicContact CD1-CD2 3.69Å; I133-L138 HydrophobicContact CD1-CG 3.7Å; I133-L138 HydrophobicContact CG1-CD1 4.39Å; I133-L138 HydrophobicContact CG1-CD2 4.34Å; I133-L138 HydrophobicContact CG1-CG 3.99Å; S134-L138 PolarHBondContact O-N 3.15Å; V135-L138 WeakPolarHBondContact O-CB 3.47Å; V135-L138 PolarHBondContact O-N 2.91Å; E136-L138 VanDerWaalsContact C-N 3.29Å; E136-L138 PolarHBondContact O-N 2.87Å; L138-S140 PolarHBondContact O-N 3.34Å; L138-S141 CarbonylContact O-C 3.56Å; L138-S141 WeakPolarHBondContact O-CA 3.43Å; L138-S141 WeakPolarHBondContact O-CB 3.39Å; L138-S141 PolarHBondContact O-N 2.96Å; L138-S141 VanDerWaalsContact O-N 3.11Å; L138-A142 WeakPolarHBondContact O-CB 3.24Å; L138-A142 PolarHBondContact O-N 3.12Å; L138-F146 HydrophobicContact CB-CE1 4.1Å; L138-F146 HydrophobicContact CB-CZ 3.88Å; L138-V182 HydrophobicContact CD1-CB 4.44Å; L138-V182 HydrophobicContact CD1-CG1 3.45Å; L138-V182 VanDerWaalsContact CD1-CG1 3.45Å; L138-V182 HydrophobicContact CD1-CG2 4.16Å; L138-V187 HydrophobicContact CD2-CG1 4.39Å; L138-Y190 HydrophobicContact CD1-CG 4.23Å; L138-Y190 HydrophobicContact CD2-CG 4.48Å; L138-I196 HydrophobicContact CD1-CG2 4.18Å
139	R	92.7	Very high	92.4	Very high	29 Å²	29	40 Å²	40	11%	0.109	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-47.4	178.7	-171.6	-172.9	72.9	97.4	-1.1	111.1	V135 E136 S141 A142 G143 G144 F146 G260	V135-R139 WeakPolarHBondContact O-CB 3.5Å; V135-R139 PolarHBondContact O-N 3.17Å; E136-R139 PolarHBondContact O-N 2.68Å; E136-R139 IonicContact OE1-CZ 3.67Å; E136-R139 IonicContact OE1-NE 2.83Å; E136-R139 PolarHBondContact OE1-NE 2.94Å; E136-R139 IonicContact OE1-NH2 3.7Å; E136-R139 PolarHBondContact OE1-NH2 3.31Å; E136-R139 IonicContact OE2-CZ 3.9Å; E136-R139 IonicContact OE2-NE 3.85Å; E136-R139 PolarHBondContact OE2-NE 3.14Å; E136-R139 IonicContact OE2-NH2 3.72Å; E136-R139 PolarHBondContact OE2-NH2 3.37Å; R139-S141 VanDerWaalsContact C-N 3.28Å; R139-S141 PolarHBondContact O-N 2.65Å; R139-A142 PolarHBondContact O-N 3.37Å; R139-G143 PolarHBondContact O-N 3.27Å; R139-G144 WeakPolarHBondContact CD-O 3.37Å; R139-G144 VanDerWaalsContact CG-O 3.26Å; R139-G144 WeakPolarHBondContact CG-O 3.36Å; R139-G144 PolarHBondContact NH1-O 3.45Å; R139-G144 WeakPolarHBondContact O-CA 3.2Å; R139-G144 PolarHBondContact O-N 3.4Å; R139-F146 VanDerWaalsContact CA-CZ 3.46Å; R139-F146 HydrophobicContact CB-CE1 4.2Å; R139-F146 HydrophobicContact CB-CE2 3.81Å; R139-F146 HydrophobicContact CB-CZ 3.62Å; R139-F146 HydrophobicContact CG-CE2 4.24Å; R139-F146 HydrophobicContact CG-CZ 4.38Å; R139-F146 VanDerWaalsContact N-CZ 3.29Å; R139-G260 PolarHBondContact NH1-O 3.39Å
140	S	92	Very high	92.3	Very high	76 Å²	76	39.8 Å²	39.8	53%	0.531	25%	0.247	S	C	.	.	H	α-helix	trans	-58.9	-40.4	174.1	-74.1	0	0	0	0	111.7	E136 L138 G143	E136-S140 WeakPolarHBondContact O-CB 3.43Å; E136-S140 PolarHBondContact O-N 2.98Å; E136-S140 PolarHBondContact O-OG 3.02Å; E136-S140 PolarHBondContact OE1-OG 3.27Å; L138-S140 PolarHBondContact O-N 3.34Å; S140-G143 PolarHBondContact O-N 2.93Å
141	S	88.3	Confident	92.4	Very high	96 Å²	96	35.1 Å²	35.1	67%	0.671	23%	0.229	S	C	*	.	H	α-helix	trans	-72	-25.6	177.6	-57.2	0	0	0	0	113.7	S137 L138 R139 G143	S137-S141 WeakPolarHBondContact O-CB 3.4Å; S137-S141 PolarHBondContact O-N 2.83Å; S137-S141 VanDerWaalsContact O-N 3.09Å; S137-S141 PolarHBondContact O-OG 2.61Å; L138-S141 CarbonylContact O-C 3.56Å; L138-S141 WeakPolarHBondContact O-CA 3.43Å; L138-S141 WeakPolarHBondContact O-CB 3.39Å; L138-S141 PolarHBondContact O-N 2.96Å; L138-S141 VanDerWaalsContact O-N 3.11Å; R139-S141 VanDerWaalsContact C-N 3.28Å; R139-S141 PolarHBondContact O-N 2.65Å; S141-G143 VanDerWaalsContact C-N 3.31Å
142	A	87.5	Confident	92.5	Very high	49 Å²	49	34 Å²	34	41%	0.405	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	0.8	176.4	0	0	0	0	0	113.7	L138 R139 T145 F146	L138-A142 WeakPolarHBondContact O-CB 3.24Å; L138-A142 PolarHBondContact O-N 3.12Å; R139-A142 PolarHBondContact O-N 3.37Å; A142-T145 WeakPolarHBondContact CB-O 3.38Å; A142-F146 HydrophobicContact CB-CD1 4.18Å; A142-F146 HydrophobicContact CB-CE1 4.16Å
143	G	89.7	Confident	92.6	Very high	71 Å²	71	34.3 Å²	34.3	73%	0.732	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.1	16.1	-178.3	0	0	0	0	0	114.8	R139 S140 S141	R139-G143 PolarHBondContact O-N 3.27Å; S140-G143 PolarHBondContact O-N 2.93Å; S141-G143 VanDerWaalsContact C-N 3.31Å
144	G	92.4	Very high	92.9	Very high	17 Å²	17	31.6 Å²	31.6	18%	0.175	21%	0.208	C	C	.	.	S	Bend	trans	101.6	-11.6	172.9	0	0	0	0	0	115.1	R139 G260	R139-G144 WeakPolarHBondContact CD-O 3.37Å; R139-G144 VanDerWaalsContact CG-O 3.26Å; R139-G144 WeakPolarHBondContact CG-O 3.36Å; R139-G144 PolarHBondContact NH1-O 3.45Å; R139-G144 WeakPolarHBondContact O-CA 3.2Å; R139-G144 PolarHBondContact O-N 3.4Å; G144-G260 WeakPolarHBondContact O-CA 3.35Å
145	T	93.8	Very high	93.1	Very high	53 Å²	53	31 Å²	31	33%	0.325	20%	0.204	S	C	.	.			trans	-130.4	169.1	177.4	53.7	0	0	0	0	111.5	A142 L258	A142-T145 WeakPolarHBondContact CB-O 3.38Å; T145-L258 WeakPolarHBondContact CG2-O 3.21Å
146	F	93.9	Very high	93.2	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.035	21%	0.205	C	C	.	.			trans	-122.1	157.8	167.3	-68	-48.6	0	0	0	110.6	V135 L138 R139 A142 V151 E193 I196 W257	V135-F146 HydrophobicContact CG1-CE2 3.8Å; V135-F146 HydrophobicContact CG1-CZ 4.29Å; V135-F146 WeakPolarHBondContact O-CZ 3.48Å; L138-F146 HydrophobicContact CB-CE1 4.1Å; L138-F146 HydrophobicContact CB-CZ 3.88Å; R139-F146 VanDerWaalsContact CA-CZ 3.46Å; R139-F146 HydrophobicContact CB-CE1 4.2Å; R139-F146 HydrophobicContact CB-CE2 3.81Å; R139-F146 HydrophobicContact CB-CZ 3.62Å; R139-F146 HydrophobicContact CG-CE2 4.24Å; R139-F146 HydrophobicContact CG-CZ 4.38Å; R139-F146 VanDerWaalsContact N-CZ 3.29Å; A142-F146 HydrophobicContact CB-CD1 4.18Å; A142-F146 HydrophobicContact CB-CE1 4.16Å; F146-V151 HydrophobicContact CB-CG2 3.63Å; F146-V151 HydrophobicContact CD2-CG2 4.47Å; F146-E193 WeakPolarHBondContact CA-OE2 3.37Å; F146-E193 VanDerWaalsContact CB-OE2 3.29Å; F146-E193 WeakPolarHBondContact CB-OE2 3.38Å; F146-E193 HydrophobicContact CD1-CG 4.03Å; F146-I196 HydrophobicContact CD1-CD1 4.22Å; F146-I196 HydrophobicContact CD2-CD1 3.82Å; F146-I196 HydrophobicContact CE1-CD1 4.31Å; F146-I196 HydrophobicContact CE2-CD1 3.94Å; F146-I196 HydrophobicContact CG-CD1 3.96Å; F146-I196 HydrophobicContact CZ-CD1 4.16Å; F146-W257 HydrophobicContact CD2-CB 4.19Å; F146-W257 HydrophobicContact CD2-CG 4.43Å; F146-W257 PolarHBondContact N-O 3.38Å
147	Q	91.6	Very high	93.3	Very high	104 Å²	104	29.9 Å²	29.9	49%	0.486	20%	0.199	S	C	.	.			trans	-56.6	134.5	167.2	-58.1	-49.4	-55.2	0	0	109.9	F149 A150 V151 E193	Q147-F149 HydrophobicContact CB-CD1 3.59Å; Q147-F149 HydrophobicContact CB-CE1 3.48Å; Q147-F149 VanDerWaalsContact CB-CE1 3.48Å; Q147-F149 HydrophobicContact CB-CZ 4.47Å; Q147-F149 HydrophobicContact CG-CD1 4.46Å; Q147-F149 HydrophobicContact CG-CE1 3.94Å; Q147-F149 PolarHBondContact O-N 3.49Å; Q147-A150 WeakPolarHBondContact O-CB 3.26Å; Q147-A150 PolarHBondContact O-N 3.34Å; Q147-V151 PolarHBondContact O-N 3.21Å; Q147-E193 WeakPolarHBondContact CB-OE2 3.39Å; Q147-E193 PolarHBondContact N-OE2 3.48Å
148	P	93.3	Very high	93.6	Very high	16 Å²	16	28 Å²	28	10%	0.104	19%	0.186	C	C	.	.	H	α-helix	trans	-56.4	-33.6	-174	-28.7	35.3	0	0	0	114.2	A150 V151 F152 L258 L296 F298 I337	P148-A150 PolarHBondContact O-N 3.27Å; P148-V151 PolarHBondContact O-N 3.23Å; P148-F152 HydrophobicContact CB-CD2 4.24Å; P148-F152 HydrophobicContact CB-CE2 3.87Å; P148-F152 WeakPolarHBondContact O-CD2 3.2Å; P148-F152 PolarHBondContact O-N 3.25Å; P148-L258 HydrophobicContact CB-CD2 3.7Å; P148-L258 HydrophobicContact CG-CD2 3.91Å; P148-L296 HydrophobicContact CG-CD2 3.76Å; P148-F298 HydrophobicContact CB-CZ 3.77Å; P148-F298 HydrophobicContact CG-CZ 4.01Å; P148-I337 HydrophobicContact CB-CD1 3.86Å
149	F	92	Very high	93.9	Very high	29 Å²	29	27.5 Å²	27.5	13%	0.127	18%	0.183	C	C	.	.	H	α-helix	trans	-62.1	-34.2	177.5	84	-94.1	0	0	0	112.5	Q147 K153 F331 V334 I337	Q147-F149 HydrophobicContact CB-CD1 3.59Å; Q147-F149 HydrophobicContact CB-CE1 3.48Å; Q147-F149 VanDerWaalsContact CB-CE1 3.48Å; Q147-F149 HydrophobicContact CB-CZ 4.47Å; Q147-F149 HydrophobicContact CG-CD1 4.46Å; Q147-F149 HydrophobicContact CG-CE1 3.94Å; Q147-F149 PolarHBondContact O-N 3.49Å; F149-K153 VanDerWaalsContact O-CG 3.28Å; F149-K153 WeakPolarHBondContact O-CG 3.42Å; F149-K153 PolarHBondContact O-N 2.96Å; F149-F331 WeakPolarHBondContact CA-O 3.43Å; F149-V334 HydrophobicContact CB-CG2 4.38Å; F149-V334 HydrophobicContact CD1-CG2 3.78Å; F149-V334 HydrophobicContact CD2-CG2 4.24Å; F149-V334 HydrophobicContact CE1-CG2 4.12Å; F149-V334 HydrophobicContact CG-CG2 3.85Å; F149-I337 HydrophobicContact CB-CD1 3.59Å
150	A	93.1	Very high	94.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-75	-41.5	179.4	0	0	0	0	0	110	Q147 P148 K153 L154 E193 I196	Q147-A150 WeakPolarHBondContact O-CB 3.26Å; Q147-A150 PolarHBondContact O-N 3.34Å; P148-A150 PolarHBondContact O-N 3.27Å; A150-K153 PolarHBondContact O-N 3.29Å; A150-L154 WeakPolarHBondContact O-CB 3.24Å; A150-L154 PolarHBondContact O-N 3.26Å; A150-E193 HydrophobicContact CB-CB 3.89Å; A150-I196 HydrophobicContact CB-CD1 3.67Å; A150-I196 HydrophobicContact CB-CG1 4.02Å
151	V	95.9	Very high	94.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.8	-51.2	173.6	178.6	0	0	0	0	112.2	F146 Q147 P148 K153 L154 A155 F254 W257 L258	F146-V151 HydrophobicContact CB-CG2 3.63Å; F146-V151 HydrophobicContact CD2-CG2 4.47Å; Q147-V151 PolarHBondContact O-N 3.21Å; P148-V151 PolarHBondContact O-N 3.23Å; V151-K153 VanDerWaalsContact C-N 3.33Å; V151-K153 PolarHBondContact O-N 3.12Å; V151-L154 PolarHBondContact O-N 2.9Å; V151-A155 PolarHBondContact O-N 3.04Å; V151-F254 HydrophobicContact CG1-CB 3.68Å; V151-W257 HydrophobicContact CG1-CB 4.04Å; V151-W257 HydrophobicContact CG1-CE3 4.23Å; V151-W257 HydrophobicContact CG2-CB 3.8Å; V151-L258 HydrophobicContact CB-CD2 3.99Å; V151-L258 HydrophobicContact CB-CG 4.4Å; V151-L258 HydrophobicContact CG1-CD2 4.09Å; V151-L258 HydrophobicContact CG1-CG 3.97Å; V151-L258 HydrophobicContact CG2-CD2 3.96Å; V151-L258 HydrophobicContact CG2-CG 4.39Å
152	F	95.8	Very high	95	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-67	-33.8	-177.4	-66.2	-57.7	0	0	0	112.7	P148 I156 L258 F298 A299 P302 L328 F331 T332	P148-F152 HydrophobicContact CB-CD2 4.24Å; P148-F152 HydrophobicContact CB-CE2 3.87Å; P148-F152 WeakPolarHBondContact O-CD2 3.2Å; P148-F152 PolarHBondContact O-N 3.25Å; F152-I156 WeakPolarHBondContact O-CG1 3.36Å; F152-I156 PolarHBondContact O-N 3.3Å; F152-I156 VanDerWaalsContact O-N 3.09Å; F152-L258 HydrophobicContact CE1-CD1 4.47Å; F152-L258 HydrophobicContact CZ-CD1 4.11Å; F152-F298 HydrophobicContact CE2-CE2 4.06Å; F152-A299 HydrophobicContact CZ-CB 4Å; F152-P302 HydrophobicContact CZ-CG 4.46Å; F152-L328 HydrophobicContact CD1-CB 4.32Å; F152-L328 HydrophobicContact CD1-CD2 3.84Å; F152-L328 HydrophobicContact CD1-CG 4.5Å; F152-L328 HydrophobicContact CE1-CD2 4.03Å; F152-F331 HydrophobicContact CB-CB 4.45Å; F152-F331 HydrophobicContact CD2-CB 3.25Å; F152-F331 HydrophobicContact CD2-CG 4.33Å; F152-F331 HydrophobicContact CE2-CB 3.52Å; F152-F331 HydrophobicContact CE2-CG 4.2Å; F152-F331 HydrophobicContact CG-CB 3.87Å; F152-F331 HydrophobicContact CZ-CB 4.32Å; F152-T332 HydrophobicContact CB-CG2 4.01Å
153	K	95.1	Very high	95.5	Very high	19 Å²	19	16.3 Å²	16.3	8%	0.083	11%	0.105	C	C	.	.	H	α-helix	trans	-66.4	-42.4	171.1	-71.5	-174.5	-175.7	-179	0	112.6	F149 A150 V151 I156 S157 W197 T332 F428	F149-K153 VanDerWaalsContact O-CG 3.28Å; F149-K153 WeakPolarHBondContact O-CG 3.42Å; F149-K153 PolarHBondContact O-N 2.96Å; A150-K153 PolarHBondContact O-N 3.29Å; V151-K153 VanDerWaalsContact C-N 3.33Å; V151-K153 PolarHBondContact O-N 3.12Å; K153-I156 PolarHBondContact O-N 2.88Å; K153-S157 PolarHBondContact O-N 3.49Å; K153-W197 HydrophobicContact CB-CB 3.61Å; K153-W197 HydrophobicContact CB-CG 3.81Å; K153-W197 HydrophobicContact CD-CG 4.17Å; K153-T332 WeakPolarHBondContact CE-O 3.49Å; K153-T332 HydrophobicContact CG-CG2 3.84Å; K153-F428 HydrophobicContact CB-CE2 4.25Å; K153-F428 HydrophobicContact CD-CD2 3.67Å; K153-F428 HydrophobicContact CD-CE2 3.79Å; K153-F428 HydrophobicContact CD-CG 4.15Å; K153-F428 HydrophobicContact CD-CZ 4.34Å; K153-F428 HydrophobicContact CG-CD2 3.97Å; K153-F428 HydrophobicContact CG-CE2 3.52Å; K153-F428 HydrophobicContact CG-CZ 3.89Å
154	L	96.3	Very high	95.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.3	-44.7	178.2	178.3	60.5	0	0	0	110.7	V135 A150 V151 I156 S157 C158 V180 I196 S199 W257	V135-L154 HydrophobicContact CG1-CD2 3.66Å; V135-L154 HydrophobicContact CG2-CD1 4.31Å; V135-L154 HydrophobicContact CG2-CD2 4.11Å; A150-L154 WeakPolarHBondContact O-CB 3.24Å; A150-L154 PolarHBondContact O-N 3.26Å; V151-L154 PolarHBondContact O-N 2.9Å; L154-I156 PolarHBondContact O-N 3.21Å; L154-S157 WeakPolarHBondContact O-CA 2.96Å; L154-S157 WeakPolarHBondContact O-CB 3.2Å; L154-S157 PolarHBondContact O-N 3.2Å; L154-S157 VanDerWaalsContact O-N 3.1Å; L154-C158 PolarHBondContact O-N 3.43Å; L154-C158 PolarHBondContact O-SG 3.38Å; L154-C158 VanDerWaalsContact O-SG 3.41Å; L154-V180 HydrophobicContact CD1-CG1 4.24Å; L154-I196 HydrophobicContact CD2-CD1 4.26Å; L154-S199 VanDerWaalsContact CD1-OG 3.27Å; L154-S199 WeakPolarHBondContact CD1-OG 3.46Å; L154-W257 HydrophobicContact CB-CZ3 4.36Å; L154-W257 HydrophobicContact CD2-CD2 4.14Å; L154-W257 HydrophobicContact CD2-CE3 3.68Å; L154-W257 HydrophobicContact CD2-CH2 3.75Å; L154-W257 HydrophobicContact CD2-CZ2 4.19Å; L154-W257 HydrophobicContact CD2-CZ3 3.49Å; L154-W257 VanDerWaalsContact CD2-CZ3 3.49Å; L154-W257 HydrophobicContact CG-CE3 4.2Å; L154-W257 HydrophobicContact CG-CH2 3.98Å; L154-W257 HydrophobicContact CG-CZ3 3.62Å
155	A	97.8	Very high	96.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59.3	-43	174.6	0	0	0	0	0	112.6	V151 S157 C158 L159 L328	V151-A155 PolarHBondContact O-N 3.04Å; A155-S157 VanDerWaalsContact C-N 3.33Å; A155-S157 PolarHBondContact O-N 3.2Å; A155-C158 WeakPolarHBondContact O-CB 3.3Å; A155-C158 PolarHBondContact O-N 3.2Å; A155-L159 WeakPolarHBondContact O-CG 3.49Å; A155-L159 PolarHBondContact O-N 2.89Å; A155-L328 HydrophobicContact CB-CD1 3.84Å
156	I	97.6	Very high	96.3	Very high	3 Å²	3	10.3 Å²	10.3	2%	0.015	5%	0.049	C	C	.	.	H	α-helix	trans	-63.1	-39.1	173.3	-71.7	168.1	0	0	0	111.7	F152 K153 L154 C158 L159 N160 R325 L328 E329 T332	F152-I156 WeakPolarHBondContact O-CG1 3.36Å; F152-I156 PolarHBondContact O-N 3.3Å; F152-I156 VanDerWaalsContact O-N 3.09Å; K153-I156 PolarHBondContact O-N 2.88Å; L154-I156 PolarHBondContact O-N 3.21Å; I156-C158 VanDerWaalsContact C-N 3.34Å; I156-C158 PolarHBondContact O-N 2.86Å; I156-L159 PolarHBondContact O-N 3.38Å; I156-N160 VanDerWaalsContact O-CG 3.31Å; I156-N160 PolarHBondContact O-N 3.49Å; I156-N160 VanDerWaalsContact O-N 3.08Å; I156-N160 PolarHBondContact O-ND2 3.36Å; I156-R325 HydrophobicContact CG1-CG 4.32Å; I156-R325 HydrophobicContact CG2-CG 4.17Å; I156-L328 HydrophobicContact CD1-CB 4Å; I156-L328 HydrophobicContact CG1-CB 4.04Å; I156-L328 HydrophobicContact CG1-CD1 4.43Å; I156-E329 HydrophobicContact CD1-CB 4.44Å; I156-T332 HydrophobicContact CD1-CG2 3.67Å
157	S	97.1	Very high	96.4	Very high	5 Å²	5	11.4 Å²	11.4	4%	0.035	6%	0.058	C	C	.	.	H	α-helix	trans	-62.7	-41.8	175.8	-153.1	0	0	0	0	111.6	K153 L154 A155 N160 V161 W197	K153-S157 PolarHBondContact O-N 3.49Å; L154-S157 WeakPolarHBondContact O-CA 2.96Å; L154-S157 WeakPolarHBondContact O-CB 3.2Å; L154-S157 PolarHBondContact O-N 3.2Å; L154-S157 VanDerWaalsContact O-N 3.1Å; A155-S157 VanDerWaalsContact C-N 3.33Å; A155-S157 PolarHBondContact O-N 3.2Å; S157-N160 PolarHBondContact O-N 3.05Å; S157-V161 PolarHBondContact O-N 2.99Å; S157-W197 VanDerWaalsContact CB-O 3.26Å; S157-W197 WeakPolarHBondContact CB-O 3.26Å; S157-W197 PolarHBondContact OG-O 2.9Å
158	C	98.3	Very high	96.6	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.007	5%	0.045	C	C	.	.	H	α-helix	trans	-63.3	-45.1	171.9	-67.3	0	0	0	0	112.4	L154 A155 I156 N160 V161 L162 L175 L250	L154-C158 PolarHBondContact O-N 3.43Å; L154-C158 PolarHBondContact O-SG 3.38Å; L154-C158 VanDerWaalsContact O-SG 3.41Å; A155-C158 WeakPolarHBondContact O-CB 3.3Å; A155-C158 PolarHBondContact O-N 3.2Å; I156-C158 VanDerWaalsContact C-N 3.34Å; I156-C158 PolarHBondContact O-N 2.86Å; C158-N160 VanDerWaalsContact C-N 3.27Å; C158-N160 PolarHBondContact O-N 3.39Å; C158-V161 PolarHBondContact O-N 3.41Å; C158-L162 WeakPolarHBondContact O-CG 3.29Å; C158-L162 PolarHBondContact O-N 3.17Å; C158-L175 HydrophobicContact CB-CD1 4.01Å; C158-L250 HydrophobicContact CB-CD1 3.71Å; C158-L250 HydrophobicContact CB-CD2 3.85Å; C158-L250 HydrophobicContact CB-CG 4.46Å
159	L	98.4	Very high	96.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-56.4	-39.6	177.1	-74.7	173.2	0	0	0	112.1	A155 I156 V161 L162 Q163 L250 F306 F321 L324 R325 L328	A155-L159 WeakPolarHBondContact O-CG 3.49Å; A155-L159 PolarHBondContact O-N 2.89Å; I156-L159 PolarHBondContact O-N 3.38Å; L159-V161 VanDerWaalsContact C-N 3.3Å; L159-V161 PolarHBondContact O-N 3.39Å; L159-L162 PolarHBondContact O-N 3.09Å; L159-Q163 WeakPolarHBondContact O-CB 3.39Å; L159-Q163 PolarHBondContact O-N 3.08Å; L159-L250 HydrophobicContact CD2-CD2 3.77Å; L159-L250 HydrophobicContact CG-CD2 3.82Å; L159-F306 HydrophobicContact CD1-CE2 4.39Å; L159-F306 HydrophobicContact CD2-CE2 4.29Å; L159-F321 HydrophobicContact CB-CD1 4.21Å; L159-F321 HydrophobicContact CD2-CD1 3.93Å; L159-F321 HydrophobicContact CD2-CE1 4.06Å; L159-F321 WeakPolarHBondContact O-CD1 3.26Å; L159-L324 HydrophobicContact CD1-CB 3.81Å; L159-L324 HydrophobicContact CD2-CB 4.24Å; L159-L324 HydrophobicContact CD2-CD1 3.82Å; L159-R325 HydrophobicContact CB-CG 4.23Å; L159-R325 HydrophobicContact CD1-CG 3.82Å; L159-L328 HydrophobicContact CD1-CD1 4.18Å
160	N	98.1	Very high	96.9	Very high	5 Å²	5	9.7 Å²	9.7	3%	0.027	5%	0.049	C	C	.	.	H	α-helix	trans	-61.2	-37.3	176.7	-66.7	-23.6	0	0	0	112.6	L102 F105 I156 S157 C158 Y164 R325	L102-N160 HydrophobicContact CD1-CB 4.36Å; F105-N160 HydrophobicContact CD2-CB 4.42Å; I156-N160 VanDerWaalsContact O-CG 3.31Å; I156-N160 PolarHBondContact O-N 3.49Å; I156-N160 VanDerWaalsContact O-N 3.08Å; I156-N160 PolarHBondContact O-ND2 3.36Å; S157-N160 PolarHBondContact O-N 3.05Å; C158-N160 VanDerWaalsContact C-N 3.27Å; C158-N160 PolarHBondContact O-N 3.39Å; N160-Y164 PolarHBondContact O-N 3.43Å; N160-R325 VanDerWaalsContact OD1-CD 3.24Å; N160-R325 WeakPolarHBondContact OD1-CD 3.34Å; N160-R325 PolarHBondContact OD1-NE 3.34Å
161	V	98.4	Very high	97.1	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.006	5%	0.049	C	C	.	.	H	α-helix	trans	-75.6	-43.5	177.5	-177.5	0	0	0	0	111.1	F105 G106 M107 S157 C158 L159 Q163 Y164 L165 V201	F105-V161 HydrophobicContact CD2-CG2 4.38Å; F105-V161 HydrophobicContact CE2-CG2 4.05Å; G106-V161 VanDerWaalsContact C-CG2 3.47Å; M107-V161 HydrophobicContact SD-CG1 4.14Å; S157-V161 PolarHBondContact O-N 2.99Å; C158-V161 PolarHBondContact O-N 3.41Å; L159-V161 VanDerWaalsContact C-N 3.3Å; L159-V161 PolarHBondContact O-N 3.39Å; V161-Q163 VanDerWaalsContact C-N 3.29Å; V161-Q163 PolarHBondContact O-N 3.44Å; V161-Y164 PolarHBondContact O-N 3.44Å; V161-L165 HydrophobicContact CG1-CD1 4.23Å; V161-L165 WeakPolarHBondContact O-CG 3.47Å; V161-L165 PolarHBondContact O-N 3.13Å; V161-L165 VanDerWaalsContact O-N 3.11Å; V161-V201 HydrophobicContact CB-CG2 4.12Å; V161-V201 HydrophobicContact CG1-CB 4.09Å; V161-V201 HydrophobicContact CG1-CG2 4.05Å; V161-V201 HydrophobicContact CG2-CG2 4.11Å
162	L	98.5	Very high	97.2	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.01	5%	0.049	C	C	.	.	H	α-helix	trans	-57.8	-42.5	174.8	-67.8	178.2	0	0	0	111.2	C158 L159 Y164 L165 H166 Y172 L175 D246 L250 F321	C158-L162 WeakPolarHBondContact O-CG 3.29Å; C158-L162 PolarHBondContact O-N 3.17Å; L159-L162 PolarHBondContact O-N 3.09Å; L162-Y164 PolarHBondContact O-N 3.36Å; L162-L165 PolarHBondContact O-N 3.5Å; L162-H166 WeakPolarHBondContact O-CB 3.25Å; L162-H166 PolarHBondContact O-CD2 3.49Å; L162-H166 VanDerWaalsContact O-CG 3.24Å; L162-H166 PolarHBondContact O-N 2.88Å; L162-Y172 HydrophobicContact CD2-CD1 4.27Å; L162-L175 HydrophobicContact CD1-CD1 4.33Å; L162-L175 HydrophobicContact CD2-CD1 4.48Å; L162-D246 HydrophobicContact CD1-CB 4.13Å; L162-D246 HydrophobicContact CD2-CB 3.84Å; L162-L250 HydrophobicContact CD1-CB 4.42Å; L162-L250 HydrophobicContact CD1-CD2 3.96Å; L162-F321 HydrophobicContact CB-CE1 3.75Å; L162-F321 HydrophobicContact CB-CZ 4.03Å
163	Q	98.3	Very high	97.3	Very high	7 Å²	7	10.2 Å²	10.2	3%	0.033	5%	0.053	C	C	.	.	H	α-helix	trans	-57.1	-47.8	175.5	-172.2	174	-5.2	0	0	112.2	W96 L159 V161 L165 H166 C167 F321	W96-Q163 HydrophobicContact CZ2-CG 4.11Å; L159-Q163 WeakPolarHBondContact O-CB 3.39Å; L159-Q163 PolarHBondContact O-N 3.08Å; V161-Q163 VanDerWaalsContact C-N 3.29Å; V161-Q163 PolarHBondContact O-N 3.44Å; Q163-L165 VanDerWaalsContact C-N 3.33Å; Q163-L165 PolarHBondContact O-N 3.5Å; Q163-H166 PolarHBondContact O-N 3.05Å; Q163-C167 WeakPolarHBondContact O-CB 3.41Å; Q163-C167 PolarHBondContact O-N 3.3Å; Q163-C167 PolarHBondContact O-SG 2.99Å; Q163-F321 HydrophobicContact CB-CB 4.3Å; Q163-F321 HydrophobicContact CB-CD1 3.86Å; Q163-F321 HydrophobicContact CB-CD2 3.7Å; Q163-F321 HydrophobicContact CB-CE1 4.05Å; Q163-F321 HydrophobicContact CB-CE2 3.87Å; Q163-F321 HydrophobicContact CB-CG 3.68Å; Q163-F321 HydrophobicContact CB-CZ 4.04Å; Q163-F321 HydrophobicContact CG-CB 4.16Å; Q163-F321 HydrophobicContact CG-CD2 3.58Å; Q163-F321 HydrophobicContact CG-CE2 4.06Å; Q163-F321 HydrophobicContact CG-CG 3.84Å
164	Y	98.3	Very high	97.3	Very high	4 Å²	4	10 Å²	10	2%	0.016	5%	0.053	C	C	.	.	H	α-helix	trans	-60.5	-41.3	178.5	179.3	-121.3	0	0	0	113.2	V87 R92 I93 W96 F105 M107 N160 V161 L162 S168	V87-Y164 HydrophobicContact CB-CE1 3.81Å; V87-Y164 HydrophobicContact CG2-CE1 4.4Å; V87-Y164 WeakPolarHBondContact O-CE1 3.07Å; V87-Y164 PolarHBondContact O-OH 3.09Å; R92-Y164 WeakPolarHBondContact CB-OH 2.98Å; I93-Y164 HydrophobicContact CG1-CE1 4.34Å; W96-Y164 HydrophobicContact CB-CD2 4.17Å; W96-Y164 HydrophobicContact CB-CE2 4.02Å; W96-Y164 AromaticContact CD2-CD2 3.36Å; W96-Y164 HydrophobicContact CD2-CD2 3.36Å; W96-Y164 AromaticContact CD2-CE2 3.98Å; W96-Y164 HydrophobicContact CD2-CE2 3.98Å; W96-Y164 HydrophobicContact CD2-CG 4.25Å; W96-Y164 AromaticContact CE2-CD2 3.72Å; W96-Y164 AromaticContact CE3-CD2 3.61Å; W96-Y164 HydrophobicContact CE3-CD2 3.61Å; W96-Y164 HydrophobicContact CE3-CE2 4.04Å; W96-Y164 AromaticContact CG-CD2 3.61Å; W96-Y164 HydrophobicContact CG-CD2 3.61Å; W96-Y164 AromaticContact CG-CE2 3.98Å; W96-Y164 HydrophobicContact CG-CE2 3.98Å; W96-Y164 HydrophobicContact CG-CG 4.36Å; W96-Y164 HydrophobicContact CH2-CD2 4.44Å; W96-Y164 HydrophobicContact CZ2-CD2 4.25Å; W96-Y164 HydrophobicContact CZ3-CD2 4.14Å; F105-Y164 HydrophobicContact CE1-CD1 4.27Å; F105-Y164 HydrophobicContact CE1-CG 4.33Å; F105-Y164 AromaticContact CZ-CD1 3.75Å; F105-Y164 HydrophobicContact CZ-CD1 3.75Å; F105-Y164 HydrophobicContact CZ-CD2 4.34Å; F105-Y164 HydrophobicContact CZ-CE1 4.46Å; F105-Y164 AromaticContact CZ-CG 3.67Å; F105-Y164 HydrophobicContact CZ-CG 3.67Å; M107-Y164 HydrophobicContact CB-CD1 4.47Å; M107-Y164 HydrophobicContact CG-CD1 3.97Å; M107-Y164 HydrophobicContact CG-CE1 3.85Å; M107-Y164 HydrophobicContact SD-CD1 4.13Å; M107-Y164 HydrophobicContact SD-CE1 4.29Å; N160-Y164 PolarHBondContact O-N 3.43Å; V161-Y164 PolarHBondContact O-N 3.44Å; L162-Y164 PolarHBondContact O-N 3.36Å; Y164-S168 WeakPolarHBondContact O-CB 3.03Å; Y164-S168 PolarHBondContact O-N 3.23Å; Y164-S168 PolarHBondContact O-OG 2.98Å
165	L	97.9	Very high	97.4	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-66.7	-46.7	175.8	-63.6	173.8	0	0	0	110.9	L83 V87 M107 V161 L162 Q163 C167 S168 R169 Y170 Y172 F204	L83-L165 HydrophobicContact CD1-CD2 4.3Å; L83-L165 HydrophobicContact CD2-CD2 4.38Å; V87-L165 HydrophobicContact CG2-CD2 4.11Å; M107-L165 HydrophobicContact SD-CD2 4.41Å; V161-L165 HydrophobicContact CG1-CD1 4.23Å; V161-L165 WeakPolarHBondContact O-CG 3.47Å; V161-L165 PolarHBondContact O-N 3.13Å; V161-L165 VanDerWaalsContact O-N 3.11Å; L162-L165 PolarHBondContact O-N 3.5Å; Q163-L165 VanDerWaalsContact C-N 3.33Å; Q163-L165 PolarHBondContact O-N 3.5Å; L165-C167 PolarHBondContact O-N 2.66Å; L165-S168 CarbonylContact O-C 3.58Å; L165-S168 VanDerWaalsContact O-CA 3.27Å; L165-S168 WeakPolarHBondContact O-CA 3.46Å; L165-S168 WeakPolarHBondContact O-CB 3.4Å; L165-S168 PolarHBondContact O-N 2.95Å; L165-R169 PolarHBondContact O-N 2.88Å; L165-Y170 CarbonylContact C-O 3.52Å; L165-Y170 PolarHBondContact O-N 2.96Å; L165-Y172 HydrophobicContact CD1-CG 4.44Å; L165-F204 HydrophobicContact CD1-CE1 4.01Å; L165-F204 HydrophobicContact CD2-CE1 4.4Å
166	H	97.5	Very high	97.4	Very high	11 Å²	11	11.7 Å²	11.7	5%	0.051	6%	0.06	C	C	.	.	H	α-helix	trans	-65.4	-41.7	-177.5	-71.2	-159.2	0	0	0	112	L162 Q163 S168 R169 Y170 F243 D246 F321	L162-H166 WeakPolarHBondContact O-CB 3.25Å; L162-H166 PolarHBondContact O-CD2 3.49Å; L162-H166 VanDerWaalsContact O-CG 3.24Å; L162-H166 PolarHBondContact O-N 2.88Å; Q163-H166 PolarHBondContact O-N 3.05Å; H166-S168 PolarHBondContact O-N 3.07Å; H166-R169 WeakPolarHBondContact O-CA 3.01Å; H166-R169 PolarHBondContact O-N 3.19Å; H166-Y170 PolarHBondContact CD2-O 3.13Å; H166-Y170 PolarHBondContact N-O 3.22Å; H166-F243 HydrophobicContact CB-CD1 3.94Å; H166-F243 HydrophobicContact CB-CE1 3.82Å; H166-F243 HydrophobicContact CB-CZ 4.32Å; H166-F243 AromaticContact CD2-CD1 3.59Å; H166-F243 AromaticContact CD2-CE1 3.98Å; H166-F243 AromaticContact CE1-CD1 3.67Å; H166-F243 PolarHBondContact CE1-O 3.41Å; H166-F243 AromaticContact CG-CD1 3.36Å; H166-F243 AromaticContact CG-CE1 3.73Å; H166-F243 AromaticContact ND1-CD1 3.41Å; H166-F243 WeakPolarHBondContact ND1-CD1 3.3Å; H166-F243 AromaticContact ND1-CG 3.66Å; H166-F243 AromaticContact NE2-CD1 3.76Å; H166-D246 IonicContact CD2-OD2 2.68Å; H166-D246 IonicContact CE1-OD2 2.73Å; H166-D246 IonicContact NE2-OD2 3.71Å; H166-D246 PolarHBondContact NE2-OD2 2.68Å; H166-F321 HydrophobicContact CB-CE2 4.14Å; H166-F321 HydrophobicContact CB-CZ 4.31Å; H166-F321 AromaticContact CE1-CZ 3.91Å; H166-F321 AromaticContact CG-CZ 3.92Å; H166-F321 AromaticContact ND1-CE2 3.78Å; H166-F321 AromaticContact ND1-CZ 3.43Å; H166-F321 WeakPolarHBondContact ND1-CZ 3.36Å
167	C	95.6	Very high	97.3	Very high	32 Å²	32	11.5 Å²	11.5	22%	0.216	6%	0.059	C	C	.	.	H	α-helix	trans	-60.7	-28.9	170.3	-67.4	0	0	0	0	112.4	W96 Q163 L165 R169 C417	W96-C167 HydrophobicContact CH2-CB 4.03Å; W96-C167 HydrophobicContact CZ3-CB 4.41Å; Q163-C167 WeakPolarHBondContact O-CB 3.41Å; Q163-C167 PolarHBondContact O-N 3.3Å; Q163-C167 PolarHBondContact O-SG 2.99Å; L165-C167 PolarHBondContact O-N 2.66Å; C167-R169 VanDerWaalsContact C-N 3.32Å; C167-C417 HydrophobicContact CB-CB 4.11Å; C167-C417 VanDerWaalsContact SG-CB 3.53Å
168	S	95	Very high	97.2	Very high	29 Å²	29	15 Å²	15	20%	0.203	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	10.1	172.2	-55.3	0	0	0	0	113.8	V87 Y164 L165 H166 Y170	V87-S168 WeakPolarHBondContact CG1-OG 3.43Å; Y164-S168 WeakPolarHBondContact O-CB 3.03Å; Y164-S168 PolarHBondContact O-N 3.23Å; Y164-S168 PolarHBondContact O-OG 2.98Å; L165-S168 CarbonylContact O-C 3.58Å; L165-S168 VanDerWaalsContact O-CA 3.27Å; L165-S168 WeakPolarHBondContact O-CA 3.46Å; L165-S168 WeakPolarHBondContact O-CB 3.4Å; L165-S168 PolarHBondContact O-N 2.95Å; H166-S168 PolarHBondContact O-N 3.07Å; S168-Y170 VanDerWaalsContact O-CD2 3.31Å; S168-Y170 WeakPolarHBondContact O-CD2 3.4Å; S168-Y170 PolarHBondContact O-N 3.05Å
169	R	95.3	Very high	97.1	Very high	73 Å²	73	15.7 Å²	15.7	28%	0.275	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	18	-178.4	-52.8	-72	-74.2	140.1	-1	115.5	L165 H166 C167 V210 S211	L165-R169 PolarHBondContact O-N 2.88Å; H166-R169 WeakPolarHBondContact O-CA 3.01Å; H166-R169 PolarHBondContact O-N 3.19Å; C167-R169 VanDerWaalsContact C-N 3.32Å; R169-V210 PolarHBondContact NE-O 2.88Å; R169-V210 PolarHBondContact NH2-O 3.36Å; R169-V210 PolarHBondContact O-N 3.3Å; R169-S211 VanDerWaalsContact NH2-C 3.27Å; R169-S211 PolarHBondContact NH2-O 3.43Å; R169-S211 VanDerWaalsContact NH2-O 3.14Å
170	Y	97.2	Very high	97	Very high	11 Å²	11	15.7 Å²	15.7	4%	0.043	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	139.4	172.3	-78.2	-88.5	0	0	0	111.8	L83 R86 V87 L165 H166 S168 Y208 V209	L83-Y170 HydrophobicContact CB-CE1 4.06Å; L83-Y170 HydrophobicContact CD1-CD1 3.42Å; L83-Y170 VanDerWaalsContact CD1-CD1 3.42Å; L83-Y170 HydrophobicContact CD1-CE1 3.78Å; L83-Y170 HydrophobicContact CD1-CG 3.91Å; L83-Y170 HydrophobicContact CG-CD1 4.07Å; L83-Y170 HydrophobicContact CG-CE1 4Å; L83-Y170 HydrophobicContact CG-CG 4.43Å; R86-Y170 WeakPolarHBondContact CD-OH 3.38Å; R86-Y170 PolarHBondContact NH1-OH 2.86Å; R86-Y170 VanDerWaalsContact NH1-OH 3.16Å; V87-Y170 HydrophobicContact CG1-CD2 4.43Å; V87-Y170 HydrophobicContact CG1-CE2 4.47Å; L165-Y170 CarbonylContact C-O 3.52Å; L165-Y170 PolarHBondContact O-N 2.96Å; H166-Y170 PolarHBondContact CD2-O 3.13Å; H166-Y170 PolarHBondContact N-O 3.22Å; S168-Y170 VanDerWaalsContact O-CD2 3.31Å; S168-Y170 WeakPolarHBondContact O-CD2 3.4Å; S168-Y170 PolarHBondContact O-N 3.05Å; Y170-Y208 CarbonylContact C-O 3.54Å; Y170-Y208 WeakPolarHBondContact CA-O 3.44Å; Y170-V209 HydrophobicContact CD1-CG2 3.86Å; Y170-V209 HydrophobicContact CE1-CG2 3.32Å; Y170-V209 HydrophobicContact CE2-CG2 4.25Å
171	V	97.5	Very high	96.9	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	143.5	163.5	171	0	0	0	0	107.8	A173 A207 Y208 V210 P241 S242 F243 D246	V171-A173 HydrophobicContact CG1-CB 4.39Å; V171-A207 CarbonylContact O-C 3.56Å; V171-A207 WeakPolarHBondContact O-CA 3.4Å; V171-A207 WeakPolarHBondContact O-CB 3.45Å; V171-Y208 PolarHBondContact N-O 2.83Å; V171-Y208 PolarHBondContact O-N 2.86Å; V171-V210 HydrophobicContact CB-CG2 4.4Å; V171-V210 HydrophobicContact CG2-CG2 3.41Å; V171-V210 VanDerWaalsContact CG2-CG2 3.41Å; V171-P241 HydrophobicContact CB-CB 4.1Å; V171-P241 HydrophobicContact CG1-CB 3.38Å; V171-S242 WeakPolarHBondContact CG1-O 3.49Å; V171-S242 VanDerWaalsContact CG2-C 3.5Å; V171-F243 HydrophobicContact CG2-CD1 3.42Å; V171-F243 VanDerWaalsContact CG2-CD1 3.42Å; V171-F243 HydrophobicContact CG2-CE1 3.83Å; V171-F243 HydrophobicContact CG2-CG 4.35Å; V171-D246 WeakPolarHBondContact CA-OD2 3.39Å; V171-D246 WeakPolarHBondContact CG1-OD1 2.96Å; V171-D246 WeakPolarHBondContact CG1-OD2 3.37Å
172	Y	97.4	Very high	96.7	Very high	1 Å²	1	17 Å²	17	0%	0.004	9%	0.088	C	C	.	.			trans	-92.8	-33.4	-174.1	177.5	-135	0	0	0	114.1	L162 L165 D174 L175 N179 V201 I202 F204 D246	L162-Y172 HydrophobicContact CD2-CD1 4.27Å; L165-Y172 HydrophobicContact CD1-CG 4.44Å; Y172-D174 PolarHBondContact O-N 2.77Å; Y172-L175 HydrophobicContact CD1-CB 3.78Å; Y172-L175 HydrophobicContact CD1-CD1 4.32Å; Y172-L175 HydrophobicContact CD1-CG 4.35Å; Y172-L175 VanDerWaalsContact CE1-CA 3.48Å; Y172-L175 HydrophobicContact CE1-CB 3.62Å; Y172-L175 HydrophobicContact CE1-CD1 4.33Å; Y172-L175 HydrophobicContact CE1-CG 4Å; Y172-N179 WeakPolarHBondContact OH-CB 3.34Å; Y172-V201 HydrophobicContact CD1-CG1 3.95Å; Y172-V201 HydrophobicContact CD2-CG1 4.46Å; Y172-V201 HydrophobicContact CE1-CG1 3.27Å; Y172-V201 HydrophobicContact CE2-CG1 3.88Å; Y172-V201 WeakPolarHBondContact OH-CG1 3.49Å; Y172-I202 PolarHBondContact OH-O 3.3Å; Y172-F204 AromaticContact CD2-CD1 3.64Å; Y172-F204 HydrophobicContact CD2-CD1 3.64Å; Y172-F204 AromaticContact CD2-CE1 3.91Å; Y172-F204 HydrophobicContact CD2-CE1 3.91Å; Y172-F204 AromaticContact CE2-CD1 3.81Å; Y172-F204 HydrophobicContact CE2-CD1 3.81Å; Y172-F204 HydrophobicContact CE2-CE1 4.01Å; Y172-F204 HydrophobicContact CE2-CG 4.47Å; Y172-D246 PolarHBondContact N-OD1 2.89Å; Y172-D246 PolarHBondContact N-OD2 3.42Å
173	A	97.2	Very high	96.3	Very high	10 Å²	10	20.1 Å²	20.1	8%	0.083	10%	0.102	C	C	.	.			trans	65.9	-17.3	167.9	0	0	0	0	0	118.9	V171 P241 D246 I249	V171-A173 HydrophobicContact CG1-CB 4.39Å; A173-P241 HydrophobicContact CB-CB 3.67Å; A173-P241 HydrophobicContact CB-CG 3.65Å; A173-D246 PolarHBondContact N-OD1 2.96Å; A173-I249 WeakPolarHBondContact O-CD1 3.46Å
174	D	96.6	Very high	95.5	Very high	14 Å²	14	21.4 Å²	21.4	8%	0.075	11%	0.11	C	C	.	.			trans	-137.4	43.4	-176.6	-164.2	50.7	0	0	0	113.3	Y172 K176 N179 L206 T227	Y172-D174 PolarHBondContact O-N 2.77Å; D174-K176 PolarHBondContact O-N 3.17Å; D174-K176 IonicContact OD1-NZ 3.01Å; D174-K176 IonicContact OD2-NZ 2.83Å; D174-K176 PolarHBondContact OD2-NZ 2.85Å; D174-N179 PolarHBondContact O-ND2 2.91Å; D174-N179 PolarHBondContact OD2-ND2 3.11Å; D174-N179 VanDerWaalsContact OD2-ND2 3.09Å; D174-L206 HydrophobicContact CB-CB 4.36Å; D174-L206 HydrophobicContact CB-CD1 3.8Å; D174-T227 WeakPolarHBondContact OD1-CB 3.49Å; D174-T227 PolarHBondContact OD1-N 2.67Å; D174-T227 PolarHBondContact OD1-OG1 3.34Å
175	L	97.9	Very high	94.4	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.126	C	C	.	.			trans	-66.1	120.5	173.4	-164.5	154.6	0	0	0	110.4	C158 L162 Y172 I249 L250 N253 W257	C158-L175 HydrophobicContact CB-CD1 4.01Å; L162-L175 HydrophobicContact CD1-CD1 4.33Å; L162-L175 HydrophobicContact CD2-CD1 4.48Å; Y172-L175 HydrophobicContact CD1-CB 3.78Å; Y172-L175 HydrophobicContact CD1-CD1 4.32Å; Y172-L175 HydrophobicContact CD1-CG 4.35Å; Y172-L175 VanDerWaalsContact CE1-CA 3.48Å; Y172-L175 HydrophobicContact CE1-CB 3.62Å; Y172-L175 HydrophobicContact CE1-CD1 4.33Å; Y172-L175 HydrophobicContact CE1-CG 4Å; L175-I249 HydrophobicContact CB-CG2 3.8Å; L175-I249 WeakPolarHBondContact O-CG2 3.48Å; L175-L250 HydrophobicContact CD1-CB 4.46Å; L175-L250 HydrophobicContact CD1-CD1 4.09Å; L175-L250 HydrophobicContact CD2-CD1 3.88Å; L175-N253 HydrophobicContact CD2-CB 4.01Å; L175-N253 PolarHBondContact O-ND2 2.84Å; L175-W257 HydrophobicContact CD2-CH2 4.34Å
176	K	96.6	Very high	93.2	Very high	34 Å²	34	29.7 Å²	29.7	15%	0.148	15%	0.154	C	C	.	.			trans	-153.7	160.5	175.7	69.8	-153.7	-172.2	-156.4	0	110.9	D174 D178 N179 T227 F230 N253	D174-K176 PolarHBondContact O-N 3.17Å; D174-K176 IonicContact OD1-NZ 3.01Å; D174-K176 IonicContact OD2-NZ 2.83Å; D174-K176 PolarHBondContact OD2-NZ 2.85Å; K176-D178 HydrophobicContact CG-CB 4.14Å; K176-D178 PolarHBondContact O-N 3.48Å; K176-D178 VanDerWaalsContact O-N 3.09Å; K176-N179 WeakPolarHBondContact CE-ND2 3.35Å; K176-N179 VanDerWaalsContact CE-OD1 3.26Å; K176-N179 WeakPolarHBondContact CE-OD1 3.41Å; K176-N179 HydrophobicContact CG-CB 4.18Å; K176-N179 PolarHBondContact O-N 3.44Å; K176-T227 HydrophobicContact CD-CG2 4.11Å; K176-T227 WeakPolarHBondContact CD-OG1 3.21Å; K176-T227 PolarHBondContact NZ-OG1 3.28Å; K176-F230 HydrophobicContact CB-CD2 3.65Å; K176-F230 HydrophobicContact CB-CE2 3.7Å; K176-N253 VanDerWaalsContact CA-OD1 3.26Å; K176-N253 WeakPolarHBondContact CA-OD1 3.28Å
177	G	96	Very high	91.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-56.7	-25	-179.8	0	0	0	0	0	115.1	S134 V135 E136 N253	S134-G177 WeakPolarHBondContact CB-O 3.3Å; V135-G177 PolarHBondContact N-O 3.29Å; V135-G177 VanDerWaalsContact N-O 3.14Å; E136-G177 VanDerWaalsContact CB-C 3.5Å; E136-G177 PolarHBondContact N-O 2.94Å; G177-N253 PolarHBondContact N-OD1 3.03Å
178	D	94.8	Very high	90.2	Very high	79 Å²	79	36.9 Å²	36.9	42%	0.422	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-72.5	-36.9	174.3	-60.2	-69	0	0	0	113.4	K176 V180	K176-D178 HydrophobicContact CG-CB 4.14Å; K176-D178 PolarHBondContact O-N 3.48Å; K176-D178 VanDerWaalsContact O-N 3.09Å; D178-V180 PolarHBondContact O-N 2.64Å
179	N	96.8	Very high	88.6	Confident	15 Å²	15	40.5 Å²	40.5	8%	0.08	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-86	10.8	-177.8	-62.9	-7.7	0	0	0	112.6	Y172 D174 K176 I202	Y172-N179 WeakPolarHBondContact OH-CB 3.34Å; D174-N179 PolarHBondContact O-ND2 2.91Å; D174-N179 PolarHBondContact OD2-ND2 3.11Å; D174-N179 VanDerWaalsContact OD2-ND2 3.09Å; K176-N179 WeakPolarHBondContact CE-ND2 3.35Å; K176-N179 VanDerWaalsContact CE-OD1 3.26Å; K176-N179 WeakPolarHBondContact CE-OD1 3.41Å; K176-N179 HydrophobicContact CG-CB 4.18Å; K176-N179 PolarHBondContact O-N 3.44Å; N179-I202 VanDerWaalsContact O-CG1 3.25Å; N179-I202 WeakPolarHBondContact O-CG1 3.31Å; N179-I202 PolarHBondContact O-N 3.37Å
180	V	97.2	Very high	87.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	109.4	176.5	-177.4	0	0	0	0	108.2	S134 V135 L154 D178 S199 Y200 V201	S134-V180 CarbonylContact C-O 3.58Å; S134-V180 WeakPolarHBondContact CA-O 3.15Å; V135-V180 HydrophobicContact CB-CB 4.31Å; V135-V180 HydrophobicContact CB-CG1 4.48Å; V135-V180 HydrophobicContact CG2-CB 4.01Å; V135-V180 HydrophobicContact CG2-CG1 3.66Å; V135-V180 WeakPolarHBondContact CG2-O 3.45Å; V135-V180 PolarHBondContact N-O 2.72Å; L154-V180 HydrophobicContact CD1-CG1 4.24Å; D178-V180 PolarHBondContact O-N 2.64Å; V180-S199 WeakPolarHBondContact CG1-OG 3.11Å; V180-Y200 WeakPolarHBondContact CA-O 3.4Å; V180-V201 HydrophobicContact CG2-CG2 4.46Å
181	L	95.4	Very high	85.4	Confident	33 Å²	33	41.1 Å²	41.1	17%	0.173	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.1	-176.1	-56.7	-170.6	0	0	0	111	Y131 S199 Y200 I202	Y131-L181 HydrophobicContact CG-CB 4.4Å; L181-S199 CarbonylContact O-C 3.51Å; L181-S199 WeakPolarHBondContact O-CA 3.47Å; L181-S199 WeakPolarHBondContact O-CB 3.48Å; L181-Y200 PolarHBondContact N-O 3.17Å; L181-Y200 PolarHBondContact O-N 2.71Å; L181-I202 HydrophobicContact CD1-CD1 3.61Å; L181-I202 HydrophobicContact CD1-CG1 4.38Å; L181-I202 HydrophobicContact CD2-CD1 4.27Å; L181-I202 HydrophobicContact CG-CD1 3.72Å; L181-I202 HydrophobicContact CG-CG1 4.09Å
182	V	93.8	Very high	83.9	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	148.7	179.1	-61.6	0	0	0	0	112.8	G132 I133 V135 L138 N184 Y190	G132-V182 WeakPolarHBondContact CA-O 3.29Å; G132-V182 PolarHBondContact N-O 3.22Å; I133-V182 HydrophobicContact CG1-CG2 4.46Å; I133-V182 PolarHBondContact O-N 2.88Å; I133-V182 VanDerWaalsContact O-N 3.11Å; V135-V182 HydrophobicContact CG2-CG1 4.45Å; L138-V182 HydrophobicContact CD1-CB 4.44Å; L138-V182 HydrophobicContact CD1-CG1 3.45Å; L138-V182 VanDerWaalsContact CD1-CG1 3.45Å; L138-V182 HydrophobicContact CD1-CG2 4.16Å; V182-N184 PolarHBondContact O-N 2.95Å; V182-Y190 HydrophobicContact CB-CD1 4.45Å; V182-Y190 HydrophobicContact CB-CE1 3.81Å; V182-Y190 HydrophobicContact CB-CE2 3.96Å; V182-Y190 HydrophobicContact CG1-CD1 4.28Å; V182-Y190 HydrophobicContact CG1-CE1 3.98Å; V182-Y190 HydrophobicContact CG2-CD2 3.92Å; V182-Y190 HydrophobicContact CG2-CE1 4.2Å; V182-Y190 HydrophobicContact CG2-CE2 3.47Å; V182-Y190 VanDerWaalsContact CG2-CE2 3.47Å; V182-Y190 HydrophobicContact CG2-CG 4.46Å
183	E	90.6	Very high	83	Confident	67 Å²	67	45.1 Å²	45.1	31%	0.313	26%	0.261	S	S	.	.	S	Bend	trans	-54.6	-48.8	-176.7	174.1	179.9	-104.4	0	0	113.7	F104 K198 Y200	F104-E183 HydrophobicContact CE2-CB 4.42Å; F104-E183 WeakPolarHBondContact CE2-OE1 3.28Å; E183-K198 HydrophobicContact CB-CB 4.14Å; E183-K198 WeakPolarHBondContact CB-O 3.42Å; E183-K198 PolarHBondContact N-O 3.09Å; E183-K198 WeakPolarHBondContact OE2-CD 3.24Å; E183-Y200 HydrophobicContact CB-CE2 3.94Å; E183-Y200 HydrophobicContact CG-CE2 4.17Å
184	N	81.4	Confident	81.8	Confident	34 Å²	34	47.2 Å²	47.2	18%	0.182	27%	0.273	C	S	.	.			trans	-93.6	130.1	-169.3	167.3	34.5	0	0	0	111.4	V182 N186 K189 Y190	V182-N184 PolarHBondContact O-N 2.95Å; N184-N186 PolarHBondContact ND2-O 3Å; N184-N186 PolarHBondContact O-N 3.36Å; N184-N186 PolarHBondContact OD1-N 3.33Å; N184-N186 VanDerWaalsContact OD1-N 3.12Å; N184-K189 WeakPolarHBondContact ND2-CD 3.39Å; N184-Y190 HydrophobicContact CB-CE2 3.86Å; N184-Y190 WeakPolarHBondContact CB-OH 3.49Å; N184-Y190 PolarHBondContact N-OH 3.25Å
185	L	75.7	Confident	81.3	Confident	69 Å²	69	48.5 Å²	48.5	36%	0.361	28%	0.278	S	S	.	.	S	Bend	trans	-64.1	-20.5	-179.8	-53.1	-175.3	0	0	0	113.5	R130 Y131	R130-L185 HydrophobicContact CG-CD2 4.11Å; Y131-L185 WeakPolarHBondContact O-CD2 3.43Å
186	N	72.9	Confident	80.8	Confident	108 Å²	108	48.5 Å²	48.5	58%	0.578	28%	0.278	S	S	*	.			trans	-97.2	113.5	-176.6	-69	-32.9	0	0	0	112.5	N184 T188	N184-N186 PolarHBondContact ND2-O 3Å; N184-N186 PolarHBondContact O-N 3.36Å; N184-N186 PolarHBondContact OD1-N 3.33Å; N184-N186 VanDerWaalsContact OD1-N 3.12Å; N186-T188 PolarHBondContact O-N 3.43Å; N186-T188 VanDerWaalsContact O-N 3.16Å
187	V	65.8	Low	80.5	Confident	72 Å²	72	47.7 Å²	47.7	44%	0.436	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-58.8	-27.9	-175.2	-175.5	0	0	0	0	113.8	I133 L138 K189 Y190	I133-V187 HydrophobicContact CD1-CG1 4.13Å; I133-V187 HydrophobicContact CD1-CG2 3.82Å; I133-V187 HydrophobicContact CG1-CG2 4.37Å; L138-V187 HydrophobicContact CD2-CG1 4.39Å; V187-K189 PolarHBondContact O-N 3.32Å; V187-Y190 PolarHBondContact O-N 3.45Å
188	T	63.3	Low	80.4	Confident	122 Å²	122	49.9 Å²	49.9	75%	0.748	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-56.4	-29.6	-170.7	51.1	0	0	0	0	115.1	N186 Y190	N186-T188 PolarHBondContact O-N 3.43Å; N186-T188 VanDerWaalsContact O-N 3.16Å; T188-Y190 VanDerWaalsContact C-N 3.34Å
189	K	60.8	Low	80.4	Confident	105 Å²	105	46.3 Å²	46.3	46%	0.457	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-71.9	-26.7	175.2	-62.7	-162.1	-168.2	173.4	0	113.9	N184 V187 E195	N184-K189 WeakPolarHBondContact ND2-CD 3.39Å; V187-K189 PolarHBondContact O-N 3.32Å; K189-E195 WeakPolarHBondContact CD-OE2 3.5Å; K189-E195 IonicContact NZ-OE2 2.73Å; K189-E195 PolarHBondContact NZ-OE2 3.44Å
190	Y	64.8	Low	80.5	Confident	5 Å²	5	47.5 Å²	47.5	2%	0.02	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-91.4	-8.8	-173	-58.5	-73.7	0	0	0	113.1	L138 V182 N184 V187 T188 A192 E193 E195 I196	L138-Y190 HydrophobicContact CD1-CG 4.23Å; L138-Y190 HydrophobicContact CD2-CG 4.48Å; V182-Y190 HydrophobicContact CB-CD1 4.45Å; V182-Y190 HydrophobicContact CB-CE1 3.81Å; V182-Y190 HydrophobicContact CB-CE2 3.96Å; V182-Y190 HydrophobicContact CG1-CD1 4.28Å; V182-Y190 HydrophobicContact CG1-CE1 3.98Å; V182-Y190 HydrophobicContact CG2-CD2 3.92Å; V182-Y190 HydrophobicContact CG2-CE1 4.2Å; V182-Y190 HydrophobicContact CG2-CE2 3.47Å; V182-Y190 VanDerWaalsContact CG2-CE2 3.47Å; V182-Y190 HydrophobicContact CG2-CG 4.46Å; N184-Y190 HydrophobicContact CB-CE2 3.86Å; N184-Y190 WeakPolarHBondContact CB-OH 3.49Å; N184-Y190 PolarHBondContact N-OH 3.25Å; V187-Y190 PolarHBondContact O-N 3.45Å; T188-Y190 VanDerWaalsContact C-N 3.34Å; Y190-A192 PolarHBondContact O-N 2.93Å; Y190-A192 VanDerWaalsContact O-N 3.1Å; Y190-E193 WeakPolarHBondContact O-CA 3.33Å; Y190-E193 PolarHBondContact O-N 3.32Å; Y190-E195 HydrophobicContact CD1-CB 4.28Å; Y190-E195 HydrophobicContact CE1-CB 3.79Å; Y190-E195 WeakPolarHBondContact CE1-O 3.2Å; Y190-I196 HydrophobicContact CD1-CB 4.49Å; Y190-I196 HydrophobicContact CD1-CG2 3.81Å
191	A	62.2	Low	80.5	Confident	92 Å²	92	47.6 Å²	47.6	76%	0.76	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-62.4	-12.7	173.4	0	0	0	0	0	114.3
192	A	66	Low	80.5	Confident	65 Å²	65	47.5 Å²	47.5	54%	0.537	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-115.2	12.4	171	0	0	0	0	0	112.7	Y190 V194	Y190-A192 PolarHBondContact O-N 2.93Å; Y190-A192 VanDerWaalsContact O-N 3.1Å; A192-V194 HydrophobicContact CB-CG2 4.08Å; A192-V194 VanDerWaalsContact O-CG2 3.28Å; A192-V194 WeakPolarHBondContact O-CG2 3.39Å; A192-V194 PolarHBondContact O-N 3.16Å
193	E	77	Confident	80.5	Confident	22 Å²	22	50.4 Å²	50.4	10%	0.103	28%	0.284	C	S	.	.			trans	59.2	-6.8	177.2	-55.1	174.4	-145.2	0	0	117.5	F146 Q147 A150 Y190 E195 I196	F146-E193 WeakPolarHBondContact CA-OE2 3.37Å; F146-E193 VanDerWaalsContact CB-OE2 3.29Å; F146-E193 WeakPolarHBondContact CB-OE2 3.38Å; F146-E193 HydrophobicContact CD1-CG 4.03Å; Q147-E193 WeakPolarHBondContact CB-OE2 3.39Å; Q147-E193 PolarHBondContact N-OE2 3.48Å; A150-E193 HydrophobicContact CB-CB 3.89Å; Y190-E193 WeakPolarHBondContact O-CA 3.33Å; Y190-E193 PolarHBondContact O-N 3.32Å; E193-E195 PolarHBondContact O-N 3.37Å; E193-I196 HydrophobicContact CB-CG2 4.44Å; E193-I196 PolarHBondContact O-N 3.2Å; E193-I196 VanDerWaalsContact O-N 3.16Å
194	V	72.7	Confident	80.7	Confident	53 Å²	53	47.2 Å²	47.2	32%	0.321	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-35.4	-169.1	-174.3	0	0	0	0	114.4	A192 W197	A192-V194 HydrophobicContact CB-CG2 4.08Å; A192-V194 VanDerWaalsContact O-CG2 3.28Å; A192-V194 WeakPolarHBondContact O-CG2 3.39Å; A192-V194 PolarHBondContact O-N 3.16Å; V194-W197 PolarHBondContact O-NE1 2.85Å; V194-W197 VanDerWaalsContact O-NE1 3.11Å
195	E	84.8	Confident	81.2	Confident	41 Å²	41	45.8 Å²	45.8	19%	0.192	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	4.9	-175	-59.9	-153.2	106.2	0	0	114.5	K189 Y190 E193 W197 K198	K189-E195 WeakPolarHBondContact CD-OE2 3.5Å; K189-E195 IonicContact NZ-OE2 2.73Å; K189-E195 PolarHBondContact NZ-OE2 3.44Å; Y190-E195 HydrophobicContact CD1-CB 4.28Å; Y190-E195 HydrophobicContact CE1-CB 3.79Å; Y190-E195 WeakPolarHBondContact CE1-O 3.2Å; E193-E195 PolarHBondContact O-N 3.37Å; E195-W197 PolarHBondContact O-N 2.87Å; E195-K198 HydrophobicContact CB-CD 4.42Å; E195-K198 WeakPolarHBondContact O-CB 3.4Å; E195-K198 PolarHBondContact O-N 3.45Å; E195-K198 VanDerWaalsContact OE1-CE 3.31Å; E195-K198 WeakPolarHBondContact OE1-CE 3.32Å; E195-K198 IonicContact OE1-NZ 2.77Å; E195-K198 PolarHBondContact OE1-NZ 3.5Å
196	I	89	Confident	81.9	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.3	-172.1	67.4	173.9	0	0	0	114.3	L138 F146 A150 L154 Y190 E193 K198 S199	L138-I196 HydrophobicContact CD1-CG2 4.18Å; F146-I196 HydrophobicContact CD1-CD1 4.22Å; F146-I196 HydrophobicContact CD2-CD1 3.82Å; F146-I196 HydrophobicContact CE1-CD1 4.31Å; F146-I196 HydrophobicContact CE2-CD1 3.94Å; F146-I196 HydrophobicContact CG-CD1 3.96Å; F146-I196 HydrophobicContact CZ-CD1 4.16Å; A150-I196 HydrophobicContact CB-CD1 3.67Å; A150-I196 HydrophobicContact CB-CG1 4.02Å; L154-I196 HydrophobicContact CD2-CD1 4.26Å; Y190-I196 HydrophobicContact CD1-CB 4.49Å; Y190-I196 HydrophobicContact CD1-CG2 3.81Å; E193-I196 HydrophobicContact CB-CG2 4.44Å; E193-I196 PolarHBondContact O-N 3.2Å; E193-I196 VanDerWaalsContact O-N 3.16Å; I196-K198 PolarHBondContact O-N 3.21Å; I196-S199 WeakPolarHBondContact O-CB 3.45Å; I196-S199 PolarHBondContact O-OG 3.1Å
197	W	90.2	Very high	83	Confident	17 Å²	17	41.8 Å²	41.8	6%	0.064	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-15.6	175.9	65.6	-84.2	0	0	0	113.8	F104 K153 S157 V194 E195 S199 N427 F428	F104-W197 HydrophobicContact CB-CH2 4.49Å; F104-W197 HydrophobicContact CB-CZ3 3.99Å; F104-W197 HydrophobicContact CD1-CZ3 4.44Å; F104-W197 HydrophobicContact CG-CZ3 4.47Å; K153-W197 HydrophobicContact CB-CB 3.61Å; K153-W197 HydrophobicContact CB-CG 3.81Å; K153-W197 HydrophobicContact CD-CG 4.17Å; S157-W197 VanDerWaalsContact CB-O 3.26Å; S157-W197 WeakPolarHBondContact CB-O 3.26Å; S157-W197 PolarHBondContact OG-O 2.9Å; V194-W197 PolarHBondContact O-NE1 2.85Å; V194-W197 VanDerWaalsContact O-NE1 3.11Å; E195-W197 PolarHBondContact O-N 2.87Å; W197-S199 PolarHBondContact O-N 3.27Å; W197-S199 VanDerWaalsContact O-N 3.07Å; W197-N427 HydrophobicContact CZ3-CB 4.39Å; W197-F428 HydrophobicContact CZ2-CD2 4.41Å
198	K	93.3	Very high	84.4	Confident	47 Å²	47	40.6 Å²	40.6	20%	0.204	23%	0.23	C	C	.	.	S	Bend	trans	-80	77.5	165.4	-64.8	-176.7	172.9	-179.8	0	108.6	F104 E183 E195 I196	F104-K198 HydrophobicContact CD2-CB 4.14Å; F104-K198 HydrophobicContact CD2-CG 4.12Å; F104-K198 HydrophobicContact CE2-CB 4Å; F104-K198 HydrophobicContact CE2-CG 4.49Å; F104-K198 HydrophobicContact CG-CB 4.47Å; F104-K198 HydrophobicContact CG-CG 4.2Å; F104-K198 HydrophobicContact CZ-CB 4.24Å; E183-K198 HydrophobicContact CB-CB 4.14Å; E183-K198 WeakPolarHBondContact CB-O 3.42Å; E183-K198 PolarHBondContact N-O 3.09Å; E183-K198 WeakPolarHBondContact OE2-CD 3.24Å; E195-K198 HydrophobicContact CB-CD 4.42Å; E195-K198 WeakPolarHBondContact O-CB 3.4Å; E195-K198 PolarHBondContact O-N 3.45Å; E195-K198 VanDerWaalsContact OE1-CE 3.31Å; E195-K198 WeakPolarHBondContact OE1-CE 3.32Å; E195-K198 IonicContact OE1-NZ 2.77Å; E195-K198 PolarHBondContact OE1-NZ 3.5Å; I196-K198 PolarHBondContact O-N 3.21Å
199	S	95	Very high	85.9	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	148	-174.3	56.9	0	0	0	0	111.4	F104 G106 L154 V180 L181 I196 W197	F104-S199 WeakPolarHBondContact CE1-O 3.28Å; F104-S199 VanDerWaalsContact CZ-N 3.29Å; G106-S199 VanDerWaalsContact CA-O 3.23Å; G106-S199 WeakPolarHBondContact CA-O 3.49Å; L154-S199 VanDerWaalsContact CD1-OG 3.27Å; L154-S199 WeakPolarHBondContact CD1-OG 3.46Å; V180-S199 WeakPolarHBondContact CG1-OG 3.11Å; L181-S199 CarbonylContact O-C 3.51Å; L181-S199 WeakPolarHBondContact O-CA 3.47Å; L181-S199 WeakPolarHBondContact O-CB 3.48Å; I196-S199 WeakPolarHBondContact O-CB 3.45Å; I196-S199 PolarHBondContact O-OG 3.1Å; W197-S199 PolarHBondContact O-N 3.27Å; W197-S199 VanDerWaalsContact O-N 3.07Å
200	Y	97.8	Very high	87.4	Confident	40 Å²	40	30.7 Å²	30.7	16%	0.157	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.2	-179.3	-65.8	-94.2	0	0	0	110.4	F104 G106 Y131 V180 L181 E183	F104-Y200 HydrophobicContact CE2-CD2 4.5Å; F104-Y200 HydrophobicContact CE2-CE1 4.46Å; F104-Y200 AromaticContact CE2-CE2 3.67Å; F104-Y200 HydrophobicContact CE2-CE2 3.67Å; F104-Y200 AromaticContact CE2-CZ 3.65Å; F104-Y200 HydrophobicContact CZ-CD2 4.1Å; F104-Y200 HydrophobicContact CZ-CE1 4.3Å; F104-Y200 AromaticContact CZ-CE2 3.71Å; F104-Y200 HydrophobicContact CZ-CE2 3.71Å; F104-Y200 AromaticContact CZ-CZ 3.82Å; G106-Y200 VanDerWaalsContact O-CA 3.29Å; G106-Y200 WeakPolarHBondContact O-CA 3.36Å; Y131-Y200 AromaticContact CD1-CD2 3.31Å; Y131-Y200 HydrophobicContact CD1-CD2 3.31Å; Y131-Y200 AromaticContact CD1-CE2 3.76Å; Y131-Y200 HydrophobicContact CD1-CE2 3.76Å; Y131-Y200 AromaticContact CD1-CG 3.81Å; Y131-Y200 HydrophobicContact CD1-CG 3.81Å; Y131-Y200 HydrophobicContact CD2-CG 4.46Å; Y131-Y200 AromaticContact CE1-CD1 3.79Å; Y131-Y200 HydrophobicContact CE1-CD1 3.79Å; Y131-Y200 AromaticContact CE1-CD2 3.19Å; Y131-Y200 HydrophobicContact CE1-CD2 3.19Å; Y131-Y200 AromaticContact CE1-CE1 4Å; Y131-Y200 HydrophobicContact CE1-CE1 4Å; Y131-Y200 AromaticContact CE1-CE2 3.43Å; Y131-Y200 HydrophobicContact CE1-CE2 3.43Å; Y131-Y200 VanDerWaalsContact CE1-CE2 3.43Å; Y131-Y200 AromaticContact CE1-CG 3.38Å; Y131-Y200 HydrophobicContact CE1-CG 3.38Å; Y131-Y200 AromaticContact CE1-CZ 3.83Å; Y131-Y200 HydrophobicContact CE2-CG 4.1Å; Y131-Y200 HydrophobicContact CG-CD2 4.07Å; Y131-Y200 HydrophobicContact CG-CG 4.32Å; Y131-Y200 AromaticContact CZ-CD1 3.72Å; Y131-Y200 AromaticContact CZ-CD2 3.88Å; Y131-Y200 AromaticContact CZ-CG 3.54Å; V180-Y200 WeakPolarHBondContact CA-O 3.4Å; L181-Y200 PolarHBondContact N-O 3.17Å; L181-Y200 PolarHBondContact O-N 2.71Å; E183-Y200 HydrophobicContact CB-CE2 3.94Å; E183-Y200 HydrophobicContact CG-CE2 4.17Å
201	V	97.6	Very high	88.7	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.6	173.5	-179.8	0	0	0	0	108.3	G106 P108 V161 Y172 V180 F204	G106-V201 PolarHBondContact O-N 2.63Å; P108-V201 WeakPolarHBondContact CD-O 3.38Å; P108-V201 WeakPolarHBondContact CG-O 3.26Å; V161-V201 HydrophobicContact CB-CG2 4.12Å; V161-V201 HydrophobicContact CG1-CB 4.09Å; V161-V201 HydrophobicContact CG1-CG2 4.05Å; V161-V201 HydrophobicContact CG2-CG2 4.11Å; Y172-V201 HydrophobicContact CD1-CG1 3.95Å; Y172-V201 HydrophobicContact CD2-CG1 4.46Å; Y172-V201 HydrophobicContact CE1-CG1 3.27Å; Y172-V201 HydrophobicContact CE2-CG1 3.88Å; Y172-V201 WeakPolarHBondContact OH-CG1 3.49Å; V180-V201 HydrophobicContact CG2-CG2 4.46Å; V201-F204 HydrophobicContact CG1-CE1 4.35Å; V201-F204 HydrophobicContact CG1-CZ 4.34Å; V201-F204 VanDerWaalsContact O-CZ 3.32Å; V201-F204 WeakPolarHBondContact O-CZ 3.39Å
202	I	95.7	Very high	89.8	Confident	30 Å²	30	31.6 Å²	31.6	15%	0.154	18%	0.178	C	C	.	.			trans	-127.6	-178.4	-174.6	64.8	150.1	0	0	0	112.1	Y131 Y172 N179 L181	Y131-I202 HydrophobicContact CD2-CG2 4.18Å; Y131-I202 HydrophobicContact CE2-CG2 4.34Å; Y172-I202 PolarHBondContact OH-O 3.3Å; N179-I202 VanDerWaalsContact O-CG1 3.25Å; N179-I202 WeakPolarHBondContact O-CG1 3.31Å; N179-I202 PolarHBondContact O-N 3.37Å; L181-I202 HydrophobicContact CD1-CD1 3.61Å; L181-I202 HydrophobicContact CD1-CG1 4.38Å; L181-I202 HydrophobicContact CD2-CD1 4.27Å; L181-I202 HydrophobicContact CG-CD1 3.72Å; L181-I202 HydrophobicContact CG-CG1 4.09Å
203	D	93.7	Very high	90.8	Very high	63 Å²	63	37.1 Å²	37.1	34%	0.337	19%	0.19	S	C	.	.			trans	51	77.9	-178.6	-152.2	-28.5	0	0	0	114.1	K68 E80 G205	K68-D203 IonicContact NZ-OD1 2.69Å; K68-D203 PolarHBondContact NZ-OD1 2.95Å; K68-D203 IonicContact NZ-OD2 3.14Å; K68-D203 PolarHBondContact NZ-OD2 3.05Å; E80-D203 VanDerWaalsContact OE1-CA 3.26Å; E80-D203 WeakPolarHBondContact OE1-CA 3.27Å; D203-G205 PolarHBondContact O-N 3.33Å; D203-G205 PolarHBondContact OD1-N 3.23Å
204	F	95	Very high	91.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.			trans	-85.7	20.1	178.1	-58	-88.1	0	0	0	113.1	E80 L83 Y84 M107 P108 L165 Y172 V201 L206 A207	E80-F204 HydrophobicContact CB-CB 4.4Å; E80-F204 HydrophobicContact CG-CB 4.08Å; E80-F204 PolarHBondContact OE1-N 3.28Å; L83-F204 HydrophobicContact CD1-CB 4.02Å; L83-F204 HydrophobicContact CD1-CD1 3.88Å; L83-F204 HydrophobicContact CD1-CG 4.14Å; L83-F204 HydrophobicContact CD2-CB 4.29Å; L83-F204 HydrophobicContact CD2-CD1 3.96Å; L83-F204 HydrophobicContact CD2-CD2 4.23Å; L83-F204 HydrophobicContact CD2-CE1 4.38Å; L83-F204 HydrophobicContact CD2-CG 3.89Å; Y84-F204 HydrophobicContact CD2-CD2 4.46Å; Y84-F204 HydrophobicContact CE1-CE2 4.45Å; Y84-F204 AromaticContact CE2-CD2 3.66Å; Y84-F204 HydrophobicContact CE2-CD2 3.66Å; Y84-F204 HydrophobicContact CE2-CE2 4.14Å; Y84-F204 AromaticContact CZ-CD2 3.8Å; Y84-F204 AromaticContact CZ-CE2 3.78Å; M107-F204 HydrophobicContact CE-CE1 4.45Å; M107-F204 HydrophobicContact CE-CE2 4.13Å; M107-F204 HydrophobicContact CE-CZ 3.83Å; M107-F204 HydrophobicContact SD-CZ 4Å; P108-F204 HydrophobicContact CG-CE2 3.81Å; P108-F204 HydrophobicContact CG-CZ 4.25Å; L165-F204 HydrophobicContact CD1-CE1 4.01Å; L165-F204 HydrophobicContact CD2-CE1 4.4Å; Y172-F204 AromaticContact CD2-CD1 3.64Å; Y172-F204 HydrophobicContact CD2-CD1 3.64Å; Y172-F204 AromaticContact CD2-CE1 3.91Å; Y172-F204 HydrophobicContact CD2-CE1 3.91Å; Y172-F204 AromaticContact CE2-CD1 3.81Å; Y172-F204 HydrophobicContact CE2-CD1 3.81Å; Y172-F204 HydrophobicContact CE2-CE1 4.01Å; Y172-F204 HydrophobicContact CE2-CG 4.47Å; V201-F204 HydrophobicContact CG1-CE1 4.35Å; V201-F204 HydrophobicContact CG1-CZ 4.34Å; V201-F204 VanDerWaalsContact O-CZ 3.32Å; V201-F204 WeakPolarHBondContact O-CZ 3.39Å; F204-L206 PolarHBondContact O-N 3.09Å; F204-L206 VanDerWaalsContact O-N 3.11Å; F204-A207 HydrophobicContact CB-CB 4.04Å; F204-A207 HydrophobicContact CD1-CB 4.48Å; F204-A207 WeakPolarHBondContact O-CB 3.42Å; F204-A207 PolarHBondContact O-N 2.89Å
205	G	91.4	Very high	92.4	Very high	3 Å²	3	37.8 Å²	37.8	3%	0.031	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-21	-176.3	0	0	0	0	0	115.2	Q79 D203	Q79-G205 PolarHBondContact NE2-O 3.36Å; D203-G205 PolarHBondContact O-N 3.33Å; D203-G205 PolarHBondContact OD1-N 3.23Å
206	L	91.6	Very high	92.8	Very high	83 Å²	83	39.3 Å²	39.3	44%	0.435	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	3.7	176.5	-67.6	177.4	0	0	0	114.1	D174 F204	D174-L206 HydrophobicContact CB-CB 4.36Å; D174-L206 HydrophobicContact CB-CD1 3.8Å; F204-L206 PolarHBondContact O-N 3.09Å; F204-L206 VanDerWaalsContact O-N 3.11Å
207	A	94.9	Very high	92.9	Very high	10 Å²	10	45.8 Å²	45.8	8%	0.083	23%	0.23	C	C	.	.			trans	-68.2	138.6	-177.9	0	0	0	0	0	112.2	L83 V171 F204	L83-A207 HydrophobicContact CD1-CB 3.51Å; V171-A207 CarbonylContact O-C 3.56Å; V171-A207 WeakPolarHBondContact O-CA 3.4Å; V171-A207 WeakPolarHBondContact O-CB 3.45Å; F204-A207 HydrophobicContact CB-CB 4.04Å; F204-A207 HydrophobicContact CD1-CB 4.48Å; F204-A207 WeakPolarHBondContact O-CB 3.42Å; F204-A207 PolarHBondContact O-N 2.89Å
208	Y	94.7	Very high	93.1	Very high	47 Å²	47	47 Å²	47	18%	0.184	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.9	-169	177.4	-107.6	0	0	0	112.3	Y170 V171 V210 P241	Y170-Y208 CarbonylContact C-O 3.54Å; Y170-Y208 WeakPolarHBondContact CA-O 3.44Å; V171-Y208 PolarHBondContact N-O 2.83Å; V171-Y208 PolarHBondContact O-N 2.86Å; Y208-V210 HydrophobicContact CD1-CG2 4.08Å; Y208-V210 HydrophobicContact CE1-CG2 4.24Å; Y208-P241 HydrophobicContact CD1-CB 4.38Å; Y208-P241 WeakPolarHBondContact CD1-O 3.45Å; Y208-P241 HydrophobicContact CG-CB 4.46Å; Y208-P241 HydrophobicContact CG-CG 4.3Å
209	V	94.9	Very high	93.1	Very high	16 Å²	16	49 Å²	49	10%	0.097	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	112	177.2	-179.2	0	0	0	0	110.1	Y170 S211 A409	Y170-V209 HydrophobicContact CD1-CG2 3.86Å; Y170-V209 HydrophobicContact CE1-CG2 3.32Å; Y170-V209 HydrophobicContact CE2-CG2 4.25Å; V209-S211 PolarHBondContact O-N 2.88Å; V209-A409 HydrophobicContact CG1-CB 3.65Å
210	V	93.8	Very high	92.9	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.018	27%	0.268	C	S	.	.			trans	-76.8	107.3	179	-176.8	0	0	0	0	109.8	R169 V171 Y208 A214 F243 T316	R169-V210 PolarHBondContact NE-O 2.88Å; R169-V210 PolarHBondContact NH2-O 3.36Å; R169-V210 PolarHBondContact O-N 3.3Å; V171-V210 HydrophobicContact CB-CG2 4.4Å; V171-V210 HydrophobicContact CG2-CG2 3.41Å; V171-V210 VanDerWaalsContact CG2-CG2 3.41Å; Y208-V210 HydrophobicContact CD1-CG2 4.08Å; Y208-V210 HydrophobicContact CE1-CG2 4.24Å; V210-A214 HydrophobicContact CG1-CB 3.86Å; V210-F243 HydrophobicContact CB-CE1 4.44Å; V210-F243 HydrophobicContact CB-CZ 4.27Å; V210-F243 HydrophobicContact CG2-CD1 4.41Å; V210-F243 HydrophobicContact CG2-CE1 4.02Å; V210-F243 HydrophobicContact CG2-CZ 4.32Å; V210-T316 HydrophobicContact CG1-CG2 4.25Å
211	S	91.2	Very high	92.7	Very high	27 Å²	27	56.9 Å²	56.9	19%	0.189	29%	0.292	C	S	.	.			trans	-59.6	144.7	171.6	177.6	0	0	0	0	111.4	R169 V209 K213 A214	R169-S211 VanDerWaalsContact NH2-C 3.27Å; R169-S211 PolarHBondContact NH2-O 3.43Å; R169-S211 VanDerWaalsContact NH2-O 3.14Å; V209-S211 PolarHBondContact O-N 2.88Å; S211-K213 PolarHBondContact O-N 3.33Å; S211-K213 VanDerWaalsContact O-N 3.09Å; S211-K213 PolarHBondContact OG-N 2.82Å; S211-A214 WeakPolarHBondContact O-CB 3.35Å; S211-A214 PolarHBondContact O-N 2.85Å
212	P	85	Confident	92.4	Very high	90 Å²	90	58.5 Å²	58.5	58%	0.584	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-18.2	167	-25	35.5	0	0	0	114.5
213	K	88.2	Confident	92.3	Very high	180 Å²	180	58.6 Å²	58.6	78%	0.783	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	15.2	176.2	-59.4	178.5	-178.5	176.3	0	112.8	S211	S211-K213 PolarHBondContact O-N 3.33Å; S211-K213 VanDerWaalsContact O-N 3.09Å; S211-K213 PolarHBondContact OG-N 2.82Å
214	A	89.6	Confident	92.3	Very high	17 Å²	17	58.1 Å²	58.1	14%	0.14	30%	0.301	C	S	.	.			trans	-61.8	137.1	176.3	0	0	0	0	0	110.4	V210 S211 Y315 T316	V210-A214 HydrophobicContact CG1-CB 3.86Å; S211-A214 WeakPolarHBondContact O-CB 3.35Å; S211-A214 PolarHBondContact O-N 2.85Å; A214-Y315 HydrophobicContact CB-CE1 4.27Å; A214-T316 HydrophobicContact CB-CG2 3.9Å; A214-T316 WeakPolarHBondContact O-CG2 3.45Å
215	T	92.3	Very high	92.1	Very high	73 Å²	73	62.7 Å²	62.7	45%	0.448	33%	0.326	S	S	.	.			trans	-139.8	144.6	-176.5	28.6	0	0	0	0	108.3	K217 Y315	T215-K217 PolarHBondContact O-N 3.37Å; T215-K217 WeakPolarHBondContact OG1-CE 3.48Å; T215-K217 PolarHBondContact OG1-NZ 2.95Å; T215-Y315 WeakPolarHBondContact O-CE1 3.43Å
216	Y	93.2	Very high	92.1	Very high	72 Å²	72	63.9 Å²	63.9	28%	0.282	34%	0.338	S	S	.	.			trans	-64	109.2	-179.7	179.8	-98.5	0	0	0	109.8	P218 D234 C237 A239 Y315	Y216-P218 HydrophobicContact CE1-CG 3.9Å; Y216-D234 HydrophobicContact CE2-CB 4.45Å; Y216-D234 WeakPolarHBondContact CE2-OD1 3.39Å; Y216-C237 VanDerWaalsContact OH-CB 3.27Å; Y216-C237 WeakPolarHBondContact OH-CB 3.45Å; Y216-C237 PolarHBondContact OH-SG 3.28Å; Y216-C237 VanDerWaalsContact OH-SG 3.35Å; Y216-A239 HydrophobicContact CD2-CB 3.82Å; Y216-A239 HydrophobicContact CE2-CB 3.62Å; Y216-Y315 AromaticContact CD2-CD2 3.73Å; Y216-Y315 HydrophobicContact CD2-CD2 3.73Å; Y216-Y315 AromaticContact CD2-CE2 3.84Å; Y216-Y315 HydrophobicContact CD2-CE2 3.84Å; Y216-Y315 HydrophobicContact CD2-CG 4.46Å; Y216-Y315 HydrophobicContact CG-CD2 4.41Å
217	K	92.8	Very high	92.2	Very high	138 Å²	138	61.8 Å²	61.8	60%	0.6	33%	0.329	S	S	*	.			trans	-138.7	86.5	-174.1	-76.6	175.3	175.6	154.1	0	109	T215	T215-K217 PolarHBondContact O-N 3.37Å; T215-K217 WeakPolarHBondContact OG1-CE 3.48Å; T215-K217 PolarHBondContact OG1-NZ 2.95Å
218	P	93.8	Very high	92.3	Very high	42 Å²	42	64.9 Å²	64.9	27%	0.273	34%	0.339	S	S	.	.			trans	-69.3	132.2	177.2	27.7	-32.8	0	0	0	110.8	Y216 C237 C384	Y216-P218 HydrophobicContact CE1-CG 3.9Å; P218-C237 HydrophobicContact CB-CB 4.13Å; P218-C237 WeakPolarHBondContact CB-O 3.35Å; P218-C384 HydrophobicContact CG-CB 4.44Å
219	E	93.4	Very high	92.4	Very high	88 Å²	88	64 Å²	64	41%	0.411	34%	0.337	S	S	.	.			trans	-122.3	120.6	169.8	-52.4	-175	105.7	0	0	108.9	K221 N222 G238	E219-K221 HydrophobicContact CB-CD 4.5Å; E219-K221 HydrophobicContact CB-CG 4.34Å; E219-K221 PolarHBondContact O-N 2.77Å; E219-K221 IonicContact OE1-NZ 2.64Å; E219-K221 PolarHBondContact OE1-NZ 3.17Å; E219-K221 WeakPolarHBondContact OE2-CE 3.28Å; E219-K221 IonicContact OE2-NZ 3.79Å; E219-K221 PolarHBondContact OE2-NZ 3.04Å; E219-N222 WeakPolarHBondContact O-CB 3.33Å; E219-N222 PolarHBondContact O-N 2.85Å; E219-N222 PolarHBondContact OE2-ND2 3.21Å; E219-G238 PolarHBondContact N-O 3.5Å
220	S	91.4	Very high	92.5	Very high	59 Å²	59	64.2 Å²	64.2	41%	0.413	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-54.7	-31.9	-174.8	54.6	0	0	0	0	114.3	N222 A223	S220-N222 PolarHBondContact O-N 3.44Å; S220-A223 VanDerWaalsContact O-CB 3.23Å; S220-A223 WeakPolarHBondContact O-CB 3.41Å; S220-A223 PolarHBondContact O-N 3.06Å; S220-A223 VanDerWaalsContact O-N 3.15Å
221	K	92.6	Very high	92.7	Very high	150 Å²	150	64.2 Å²	64.2	65%	0.652	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-63.6	-18.8	175.9	81.9	-161.4	-176.6	-154.6	0	114.1	E219	E219-K221 HydrophobicContact CB-CD 4.5Å; E219-K221 HydrophobicContact CB-CG 4.34Å; E219-K221 PolarHBondContact O-N 2.77Å; E219-K221 IonicContact OE1-NZ 2.64Å; E219-K221 PolarHBondContact OE1-NZ 3.17Å; E219-K221 WeakPolarHBondContact OE2-CE 3.28Å; E219-K221 IonicContact OE2-NZ 3.79Å; E219-K221 PolarHBondContact OE2-NZ 3.04Å
222	N	91	Very high	93	Very high	38 Å²	38	63.1 Å²	63.1	20%	0.203	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-103.3	2.1	179.7	-54.5	-22.5	0	0	0	111.8	E219 S220 N225 G238	E219-N222 WeakPolarHBondContact O-CB 3.33Å; E219-N222 PolarHBondContact O-N 2.85Å; E219-N222 PolarHBondContact OE2-ND2 3.21Å; S220-N222 PolarHBondContact O-N 3.44Å; N222-N225 VanDerWaalsContact O-CG 3.27Å; N222-N225 PolarHBondContact O-ND2 3.12Å; N222-G238 WeakPolarHBondContact CB-O 3.43Å
223	A	93.4	Very high	93.6	Very high	32 Å²	32	59.4 Å²	59.4	26%	0.264	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	139	-173.2	0	0	0	0	0	112.2	S220 N225	S220-A223 VanDerWaalsContact O-CB 3.23Å; S220-A223 WeakPolarHBondContact O-CB 3.41Å; S220-A223 PolarHBondContact O-N 3.06Å; S220-A223 VanDerWaalsContact O-N 3.15Å; A223-N225 VanDerWaalsContact C-N 3.26Å; A223-N225 PolarHBondContact O-N 2.87Å
224	H	94.1	Very high	94.1	Very high	52 Å²	52	51 Å²	51	24%	0.241	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	22.5	177.1	-32	-48.4	0	0	0	115.2	A235 H236 A270 D271	H224-A235 PolarHBondContact N-O 2.93Å; H224-H236 PolarHBondContact CE1-O 3.34Å; H224-H236 AromaticContact CG-ND1 3.91Å; H224-H236 AromaticContact ND1-CG 3.87Å; H224-H236 AromaticContact ND1-ND1 3.21Å; H224-H236 PolarHBondContact ND1-ND1 3.05Å; H224-H236 PolarHBondContact ND1-O 2.88Å; H224-H236 VanDerWaalsContact ND1-O 3.1Å; H224-A270 HydrophobicContact CB-CB 3.7Å; H224-A270 WeakPolarHBondContact CD2-CB 3.47Å; H224-A270 VanDerWaalsContact CG-CB 3.42Å; H224-D271 IonicContact NE2-OD1 3.23Å
225	N	90	Very high	94.4	Very high	97 Å²	97	50.6 Å²	50.6	52%	0.519	26%	0.264	S	S	.	.			trans	-56.3	149.8	169	-84.5	-28.8	0	0	0	111.9	N222 A223 T231	N222-N225 VanDerWaalsContact O-CG 3.27Å; N222-N225 PolarHBondContact O-ND2 3.12Å; A223-N225 VanDerWaalsContact C-N 3.26Å; A223-N225 PolarHBondContact O-N 2.87Å; N225-T231 WeakPolarHBondContact O-CB 3.35Å; N225-T231 PolarHBondContact O-OG1 3.33Å
226	G	91.7	Very high	94.7	Very high	27 Å²	27	47.2 Å²	47.2	28%	0.278	24%	0.243	S	C	.	.	S	Bend	trans	84.6	-177.5	-172.9	0	0	0	0	0	113.3	R228	G226-R228 PolarHBondContact O-N 3.05Å; G226-R228 VanDerWaalsContact O-N 3.14Å
227	T	94.5	Very high	94.8	Very high	40 Å²	40	44.7 Å²	44.7	25%	0.245	24%	0.236	C	C	.	.			trans	-73.6	107.2	-178.2	-58.7	0	0	0	0	111.2	D174 K176 D229 F230 T231	D174-T227 WeakPolarHBondContact OD1-CB 3.49Å; D174-T227 PolarHBondContact OD1-N 2.67Å; D174-T227 PolarHBondContact OD1-OG1 3.34Å; K176-T227 HydrophobicContact CD-CG2 4.11Å; K176-T227 WeakPolarHBondContact CD-OG1 3.21Å; K176-T227 PolarHBondContact NZ-OG1 3.28Å; T227-D229 VanDerWaalsContact C-N 3.32Å; T227-D229 PolarHBondContact O-N 3.4Å; T227-F230 HydrophobicContact CG2-CD2 3.69Å; T227-F230 HydrophobicContact CG2-CE2 4.08Å; T227-F230 PolarHBondContact O-N 3.18Å; T227-T231 PolarHBondContact O-N 2.92Å
228	R	96	Very high	95	Very high	75 Å²	75	38.1 Å²	38.1	28%	0.283	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-25.5	-58.4	-178.3	-171.9	-165.4	71	158.1	13.2	115.6	G226 F230 H236 S265 C267 A270 V273 K277	G226-R228 PolarHBondContact O-N 3.05Å; G226-R228 VanDerWaalsContact O-N 3.14Å; R228-F230 VanDerWaalsContact C-N 3.31Å; R228-F230 PolarHBondContact O-N 3.44Å; R228-H236 PolarHBondContact O-NE2 2.69Å; R228-S265 PolarHBondContact NH2-O 3.12Å; R228-C267 PolarHBondContact NH1-O 3.2Å; R228-A270 HydrophobicContact CG-CB 4.22Å; R228-V273 HydrophobicContact CG-CB 4.49Å; R228-V273 HydrophobicContact CG-CG2 4.08Å; R228-K277 PolarHBondContact O-NZ 3.16Å
229	D	96.5	Very high	95.1	Very high	29 Å²	29	36.4 Å²	36.4	16%	0.155	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-31	-172.7	-72.7	40	0	0	0	112.6	T227 W264 S265 K277	T227-D229 VanDerWaalsContact C-N 3.32Å; T227-D229 PolarHBondContact O-N 3.4Å; D229-W264 PolarHBondContact O-NE1 3.01Å; D229-S265 WeakPolarHBondContact OD2-CA 3.42Å; D229-K277 VanDerWaalsContact O-CE 3.23Å; D229-K277 WeakPolarHBondContact O-CE 3.41Å; D229-K277 PolarHBondContact O-NZ 2.95Å; D229-K277 VanDerWaalsContact O-NZ 3.08Å
230	F	98	Very high	95.2	Very high	20 Å²	20	34 Å²	34	9%	0.088	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-22.9	-176.4	-48.2	-66.9	0	0	0	114.2	K176 T227 R228 I249 Y252 L256 L262	K176-F230 HydrophobicContact CB-CD2 3.65Å; K176-F230 HydrophobicContact CB-CE2 3.7Å; T227-F230 HydrophobicContact CG2-CD2 3.69Å; T227-F230 HydrophobicContact CG2-CE2 4.08Å; T227-F230 PolarHBondContact O-N 3.18Å; R228-F230 VanDerWaalsContact C-N 3.31Å; R228-F230 PolarHBondContact O-N 3.44Å; F230-I249 HydrophobicContact CB-CG2 4.03Å; F230-I249 WeakPolarHBondContact O-CA 3.26Å; F230-I249 VanDerWaalsContact O-CG1 3.26Å; F230-I249 WeakPolarHBondContact O-CG1 3.3Å; F230-Y252 WeakPolarHBondContact O-CD2 3.48Å; F230-L256 HydrophobicContact CE1-CB 4.32Å; F230-L256 HydrophobicContact CE1-CD2 3.54Å; F230-L256 HydrophobicContact CZ-CD2 3.47Å; F230-L256 VanDerWaalsContact CZ-CD2 3.47Å; F230-L262 HydrophobicContact CD1-CD1 4.24Å; F230-L262 HydrophobicContact CE1-CD1 4.11Å
231	T	97.7	Very high	95.4	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.018	18%	0.18	C	C	.	.			trans	-60.8	148.5	-173	-162.6	0	0	0	0	113	N225 T227 A235 H236 K277	N225-T231 WeakPolarHBondContact O-CB 3.35Å; N225-T231 PolarHBondContact O-OG1 3.33Å; T227-T231 PolarHBondContact O-N 2.92Å; T231-A235 WeakPolarHBondContact OG1-CB 3.49Å; T231-H236 PolarHBondContact O-CD2 3.31Å; T231-K277 PolarHBondContact O-NZ 2.77Å
232	S	98.1	Very high	95.6	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.028	15%	0.149	C	C	.	.			trans	-74.6	163.1	-170	68	0	0	0	0	113.7	D234 A235 H236 E248	S232-D234 PolarHBondContact O-N 3.27Å; S232-A235 CarbonylContact O-C 3.52Å; S232-A235 PolarHBondContact O-N 3.06Å; S232-A235 VanDerWaalsContact O-N 3.1Å; S232-A235 PolarHBondContact OG-N 3.4Å; S232-H236 PolarHBondContact O-CD2 3.26Å; S232-H236 VanDerWaalsContact O-CD2 3.3Å; S232-H236 PolarHBondContact O-N 3.44Å; S232-E248 WeakPolarHBondContact CA-OE1 3.35Å
233	I	97.9	Very high	95.9	Very high	11 Å²	11	24.2 Å²	24.2	6%	0.056	14%	0.141	C	C	.	.	H	α-helix	trans	-53.5	-41.9	169.4	-79.4	167.7	0	0	0	111	A235 H236 C237 E248 F274 K277 K281 Y311	I233-A235 VanDerWaalsContact C-N 3.34Å; I233-A235 PolarHBondContact O-N 3.11Å; I233-H236 PolarHBondContact O-N 2.93Å; I233-C237 PolarHBondContact O-N 3.5Å; I233-C237 PolarHBondContact O-SG 2.9Å; I233-C237 VanDerWaalsContact O-SG 3.33Å; I233-E248 WeakPolarHBondContact CG1-OE1 3.24Å; I233-E248 PolarHBondContact N-OE1 3.4Å; I233-F274 HydrophobicContact CG1-CE2 4.39Å; I233-F274 HydrophobicContact CG2-CE2 4.2Å; I233-K277 HydrophobicContact CD1-CB 4.39Å; I233-K277 HydrophobicContact CG1-CB 4.16Å; I233-K281 HydrophobicContact CD1-CB 4.04Å; I233-K281 HydrophobicContact CD1-CD 3.77Å; I233-Y311 HydrophobicContact CD1-CE1 4.43Å
234	D	97.3	Very high	96.1	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-59.1	-44.8	175.1	-74.7	-17.8	0	0	0	111.5	Y216 S232 C237 G238 A239 S242 R244	Y216-D234 HydrophobicContact CE2-CB 4.45Å; Y216-D234 WeakPolarHBondContact CE2-OD1 3.39Å; S232-D234 PolarHBondContact O-N 3.27Å; D234-C237 WeakPolarHBondContact O-CB 3.34Å; D234-C237 PolarHBondContact O-N 2.88Å; D234-G238 PolarHBondContact O-N 3.3Å; D234-A239 HydrophobicContact CB-CB 4.38Å; D234-A239 WeakPolarHBondContact O-CB 3.36Å; D234-A239 PolarHBondContact O-N 2.93Å; D234-S242 WeakPolarHBondContact OD2-CB 3.16Å; D234-S242 PolarHBondContact OD2-OG 3.19Å; D234-R244 IonicContact OD1-CZ 2.77Å; D234-R244 IonicContact OD1-NE 3.37Å; D234-R244 IonicContact OD1-NH2 3.53Å; D234-R244 PolarHBondContact OD1-NH2 3.44Å; D234-R244 IonicContact OD2-CZ 3.15Å; D234-R244 IonicContact OD2-NE 3.55Å; D234-R244 PolarHBondContact OD2-NE 2.88Å; D234-R244 IonicContact OD2-NH2 2.67Å; D234-R244 PolarHBondContact OD2-NH2 3.12Å
235	A	96.9	Very high	96.3	Very high	8 Å²	8	22.4 Å²	22.4	7%	0.066	13%	0.126	C	C	.	.	H	α-helix	trans	-73.1	-34.2	178.4	0	0	0	0	0	112.7	H224 T231 S232 I233 C237 G238	H224-A235 PolarHBondContact N-O 2.93Å; T231-A235 WeakPolarHBondContact OG1-CB 3.49Å; S232-A235 CarbonylContact O-C 3.52Å; S232-A235 PolarHBondContact O-N 3.06Å; S232-A235 VanDerWaalsContact O-N 3.1Å; S232-A235 PolarHBondContact OG-N 3.4Å; I233-A235 VanDerWaalsContact C-N 3.34Å; I233-A235 PolarHBondContact O-N 3.11Å; A235-C237 VanDerWaalsContact C-N 3.28Å; A235-C237 PolarHBondContact O-N 3.3Å; A235-G238 PolarHBondContact O-N 3.48Å
236	H	97.8	Very high	96.7	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-61.7	-36.2	170.6	-84.5	-79.5	0	0	0	111.9	H224 R228 T231 S232 I233 G238 A270 F274 K277	H224-H236 PolarHBondContact CE1-O 3.34Å; H224-H236 AromaticContact CG-ND1 3.91Å; H224-H236 AromaticContact ND1-CG 3.87Å; H224-H236 AromaticContact ND1-ND1 3.21Å; H224-H236 PolarHBondContact ND1-ND1 3.05Å; H224-H236 PolarHBondContact ND1-O 2.88Å; H224-H236 VanDerWaalsContact ND1-O 3.1Å; R228-H236 PolarHBondContact O-NE2 2.69Å; T231-H236 PolarHBondContact O-CD2 3.31Å; S232-H236 PolarHBondContact O-CD2 3.26Å; S232-H236 VanDerWaalsContact O-CD2 3.3Å; S232-H236 PolarHBondContact O-N 3.44Å; I233-H236 PolarHBondContact O-N 2.93Å; H236-G238 PolarHBondContact O-N 3.1Å; H236-A270 PolarHBondContact CE1-O 2.82Å; H236-A270 PolarHBondContact ND1-O 3.03Å; H236-F274 HydrophobicContact CB-CB 4.02Å; H236-F274 HydrophobicContact CB-CD1 4.43Å; H236-F274 HydrophobicContact CB-CD2 3.5Å; H236-F274 HydrophobicContact CB-CE2 4.04Å; H236-F274 HydrophobicContact CB-CG 3.74Å; H236-K277 PolarHBondContact NE2-NZ 2.79Å
237	C	96.5	Very high	97	Very high	19 Å²	19	16.5 Å²	16.5	13%	0.128	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-11.9	170.6	-66.8	0	0	0	0	114.1	Y216 P218 I233 D234 A235 F274	Y216-C237 VanDerWaalsContact OH-CB 3.27Å; Y216-C237 WeakPolarHBondContact OH-CB 3.45Å; Y216-C237 PolarHBondContact OH-SG 3.28Å; Y216-C237 VanDerWaalsContact OH-SG 3.35Å; P218-C237 HydrophobicContact CB-CB 4.13Å; P218-C237 WeakPolarHBondContact CB-O 3.35Å; I233-C237 PolarHBondContact O-N 3.5Å; I233-C237 PolarHBondContact O-SG 2.9Å; I233-C237 VanDerWaalsContact O-SG 3.33Å; D234-C237 WeakPolarHBondContact O-CB 3.34Å; D234-C237 PolarHBondContact O-N 2.88Å; A235-C237 VanDerWaalsContact C-N 3.28Å; A235-C237 PolarHBondContact O-N 3.3Å; C237-F274 VanDerWaalsContact SG-CZ 3.5Å
238	G	96.3	Very high	97.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	20.5	-175.4	0	0	0	0	0	114.7	E219 N222 D234 A235 H236	E219-G238 PolarHBondContact N-O 3.5Å; N222-G238 WeakPolarHBondContact CB-O 3.43Å; D234-G238 PolarHBondContact O-N 3.3Å; A235-G238 PolarHBondContact O-N 3.48Å; H236-G238 PolarHBondContact O-N 3.1Å
239	A	96.3	Very high	97.4	Very high	6 Å²	6	11.3 Å²	11.3	5%	0.05	7%	0.065	C	C	.	.	P	Polyproline II helix	trans	-71.9	165.6	164.2	0	0	0	0	0	110.3	Y216 D234 Y315	Y216-A239 HydrophobicContact CD2-CB 3.82Å; Y216-A239 HydrophobicContact CE2-CB 3.62Å; D234-A239 HydrophobicContact CB-CB 4.38Å; D234-A239 WeakPolarHBondContact O-CB 3.36Å; D234-A239 PolarHBondContact O-N 2.93Å; A239-Y315 HydrophobicContact CB-CE2 4.14Å
240	S	95.2	Very high	97.5	Very high	38 Å²	38	10 Å²	10	27%	0.266	6%	0.057	S	C	.	.	P	Polyproline II helix	trans	-70.5	158	172	-46.2	0	0	0	0	110.7	S242 Y315	S240-S242 PolarHBondContact O-N 2.95Å; S240-Y315 WeakPolarHBondContact CB-OH 3.2Å; S240-Y315 PolarHBondContact N-OH 2.89Å; S240-Y315 PolarHBondContact O-OH 3.41Å; S240-Y315 VanDerWaalsContact O-OH 3.09Å
241	P	96.2	Very high	97.5	Very high	32 Å²	32	9 Å²	9	21%	0.208	5%	0.053	C	C	.	.	P	Polyproline II helix	trans	-58.9	139.4	177.5	-24.9	35.1	0	0	0	112.9	V171 A173 Y208	V171-P241 HydrophobicContact CB-CB 4.1Å; V171-P241 HydrophobicContact CG1-CB 3.38Å; A173-P241 HydrophobicContact CB-CB 3.67Å; A173-P241 HydrophobicContact CB-CG 3.65Å; Y208-P241 HydrophobicContact CD1-CB 4.38Å; Y208-P241 WeakPolarHBondContact CD1-O 3.45Å; Y208-P241 HydrophobicContact CG-CB 4.46Å; Y208-P241 HydrophobicContact CG-CG 4.3Å
242	S	96.7	Very high	97.5	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.007	5%	0.052	C	C	.	.			trans	-123.6	158.5	-174.6	63.8	0	0	0	0	111.4	V171 D234 S240 R244 G245 D246	V171-S242 WeakPolarHBondContact CG1-O 3.49Å; V171-S242 VanDerWaalsContact CG2-C 3.5Å; D234-S242 WeakPolarHBondContact OD2-CB 3.16Å; D234-S242 PolarHBondContact OD2-OG 3.19Å; S240-S242 PolarHBondContact O-N 2.95Å; S242-R244 PolarHBondContact O-N 3.3Å; S242-R244 WeakPolarHBondContact OG-CG 3.22Å; S242-G245 WeakPolarHBondContact O-CA 3.47Å; S242-G245 PolarHBondContact O-N 2.94Å; S242-G245 PolarHBondContact OG-N 2.94Å; S242-G245 VanDerWaalsContact OG-N 3.15Å; S242-D246 PolarHBondContact O-N 3.35Å
243	F	97.5	Very high	97.5	Very high	9 Å²	9	8.7 Å²	8.7	4%	0.039	5%	0.051	C	C	.	.	H	α-helix	trans	-61.4	-43	178.8	-65.6	-38.4	0	0	0	112.3	H166 V171 V210 G245 D246 V247 V319	H166-F243 HydrophobicContact CB-CD1 3.94Å; H166-F243 HydrophobicContact CB-CE1 3.82Å; H166-F243 HydrophobicContact CB-CZ 4.32Å; H166-F243 AromaticContact CD2-CD1 3.59Å; H166-F243 AromaticContact CD2-CE1 3.98Å; H166-F243 AromaticContact CE1-CD1 3.67Å; H166-F243 PolarHBondContact CE1-O 3.41Å; H166-F243 AromaticContact CG-CD1 3.36Å; H166-F243 AromaticContact CG-CE1 3.73Å; H166-F243 AromaticContact ND1-CD1 3.41Å; H166-F243 WeakPolarHBondContact ND1-CD1 3.3Å; H166-F243 AromaticContact ND1-CG 3.66Å; H166-F243 AromaticContact NE2-CD1 3.76Å; V171-F243 HydrophobicContact CG2-CD1 3.42Å; V171-F243 VanDerWaalsContact CG2-CD1 3.42Å; V171-F243 HydrophobicContact CG2-CE1 3.83Å; V171-F243 HydrophobicContact CG2-CG 4.35Å; V210-F243 HydrophobicContact CB-CE1 4.44Å; V210-F243 HydrophobicContact CB-CZ 4.27Å; V210-F243 HydrophobicContact CG2-CD1 4.41Å; V210-F243 HydrophobicContact CG2-CE1 4.02Å; V210-F243 HydrophobicContact CG2-CZ 4.32Å; F243-G245 PolarHBondContact O-N 3.34Å; F243-D246 PolarHBondContact O-N 3.22Å; F243-V247 PolarHBondContact O-N 3.24Å; F243-V319 HydrophobicContact CB-CG2 4Å
244	R	97.3	Very high	97.4	Very high	43 Å²	43	8.1 Å²	8.1	16%	0.162	5%	0.048	C	C	.	.	H	α-helix	trans	-59.7	-32.7	172.1	69.5	-177.3	-173.5	-173.4	3.4	112.9	D234 S242 V247 E248 L313	D234-R244 IonicContact OD1-CZ 2.77Å; D234-R244 IonicContact OD1-NE 3.37Å; D234-R244 IonicContact OD1-NH2 3.53Å; D234-R244 PolarHBondContact OD1-NH2 3.44Å; D234-R244 IonicContact OD2-CZ 3.15Å; D234-R244 IonicContact OD2-NE 3.55Å; D234-R244 PolarHBondContact OD2-NE 2.88Å; D234-R244 IonicContact OD2-NH2 2.67Å; D234-R244 PolarHBondContact OD2-NH2 3.12Å; S242-R244 PolarHBondContact O-N 3.3Å; S242-R244 WeakPolarHBondContact OG-CG 3.22Å; R244-V247 PolarHBondContact O-N 2.83Å; R244-E248 WeakPolarHBondContact O-CB 3.3Å; R244-E248 PolarHBondContact O-N 2.66Å; R244-L313 HydrophobicContact CB-CB 3.78Å; R244-L313 HydrophobicContact CB-CD1 3.94Å; R244-L313 WeakPolarHBondContact CD-O 3.05Å; R244-L313 PolarHBondContact NH1-O 3.15Å
245	G	98.2	Very high	97.4	Very high	2 Å²	2	8 Å²	8	2%	0.021	5%	0.047	C	C	.	.	H	α-helix	trans	-59.9	-46.4	175.9	0	0	0	0	0	112.5	S242 F243 V247 E248 I249	S242-G245 WeakPolarHBondContact O-CA 3.47Å; S242-G245 PolarHBondContact O-N 2.94Å; S242-G245 PolarHBondContact OG-N 2.94Å; S242-G245 VanDerWaalsContact OG-N 3.15Å; F243-G245 PolarHBondContact O-N 3.34Å; G245-V247 VanDerWaalsContact C-N 3.29Å; G245-V247 PolarHBondContact O-N 3.41Å; G245-E248 WeakPolarHBondContact O-CB 3.06Å; G245-E248 PolarHBondContact O-N 3.05Å; G245-I249 WeakPolarHBondContact O-CB 3.28Å; G245-I249 VanDerWaalsContact O-CD1 3.28Å; G245-I249 WeakPolarHBondContact O-CD1 3.46Å; G245-I249 WeakPolarHBondContact O-CG1 3.38Å; G245-I249 PolarHBondContact O-N 2.96Å
246	D	98.5	Very high	97.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-59.8	-38.7	176.1	-83	-16.6	0	0	0	112.7	L162 H166 V171 Y172 A173 S242 F243 L250	L162-D246 HydrophobicContact CD1-CB 4.13Å; L162-D246 HydrophobicContact CD2-CB 3.84Å; H166-D246 IonicContact CD2-OD2 2.68Å; H166-D246 IonicContact CE1-OD2 2.73Å; H166-D246 IonicContact NE2-OD2 3.71Å; H166-D246 PolarHBondContact NE2-OD2 2.68Å; V171-D246 WeakPolarHBondContact CA-OD2 3.39Å; V171-D246 WeakPolarHBondContact CG1-OD1 2.96Å; V171-D246 WeakPolarHBondContact CG1-OD2 3.37Å; Y172-D246 PolarHBondContact N-OD1 2.89Å; Y172-D246 PolarHBondContact N-OD2 3.42Å; A173-D246 PolarHBondContact N-OD1 2.96Å; S242-D246 PolarHBondContact O-N 3.35Å; F243-D246 PolarHBondContact O-N 3.22Å; D246-L250 WeakPolarHBondContact O-CB 3.07Å; D246-L250 PolarHBondContact O-N 3.48Å
247	V	98.5	Very high	97.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-66.2	-47.3	175.8	-172.5	0	0	0	0	110.1	F243 R244 G245 I249 L250 G251 F306 A310 V319 L324	F243-V247 PolarHBondContact O-N 3.24Å; R244-V247 PolarHBondContact O-N 2.83Å; G245-V247 VanDerWaalsContact C-N 3.29Å; G245-V247 PolarHBondContact O-N 3.41Å; V247-I249 PolarHBondContact O-N 2.77Å; V247-L250 PolarHBondContact O-N 3.32Å; V247-G251 PolarHBondContact O-N 2.89Å; V247-F306 HydrophobicContact CG1-CD1 4.3Å; V247-F306 HydrophobicContact CG1-CE1 3.58Å; V247-F306 HydrophobicContact CG1-CE2 4.34Å; V247-F306 HydrophobicContact CG1-CZ 3.59Å; V247-F306 VanDerWaalsContact O-CE1 3.24Å; V247-F306 WeakPolarHBondContact O-CE1 3.22Å; V247-A310 HydrophobicContact CB-CB 4.04Å; V247-A310 HydrophobicContact CG1-CB 3.72Å; V247-V319 HydrophobicContact CG2-CB 4.3Å; V247-V319 HydrophobicContact CG2-CG1 3.66Å; V247-V319 HydrophobicContact CG2-CG2 3.6Å; V247-L324 HydrophobicContact CG1-CD1 3.68Å; V247-L324 HydrophobicContact CG1-CD2 4.44Å; V247-L324 HydrophobicContact CG2-CD1 4.13Å
248	E	98.6	Very high	97.4	Very high	3 Å²	3	7.5 Å²	7.5	1%	0.014	4%	0.042	C	C	.	.	H	α-helix	trans	-58.1	-45.1	177.6	-168.2	-175.4	120.3	0	0	112.3	S232 I233 R244 G245 G251 Y252 Y311	S232-E248 WeakPolarHBondContact CA-OE1 3.35Å; I233-E248 WeakPolarHBondContact CG1-OE1 3.24Å; I233-E248 PolarHBondContact N-OE1 3.4Å; R244-E248 WeakPolarHBondContact O-CB 3.3Å; R244-E248 PolarHBondContact O-N 2.66Å; G245-E248 WeakPolarHBondContact O-CB 3.06Å; G245-E248 PolarHBondContact O-N 3.05Å; E248-G251 WeakPolarHBondContact O-CA 3.43Å; E248-G251 PolarHBondContact O-N 2.72Å; E248-G251 VanDerWaalsContact O-N 3.12Å; E248-Y252 HydrophobicContact CG-CE1 4.39Å; E248-Y252 HydrophobicContact CG-CE2 3.77Å; E248-Y252 PolarHBondContact O-N 3.15Å; E248-Y252 PolarHBondContact OE1-OH 3.11Å; E248-Y311 HydrophobicContact CG-CE1 3.92Å
249	I	98.6	Very high	97.4	Very high	4 Å²	4	8.3 Å²	8.3	2%	0.021	5%	0.048	C	C	.	.	H	α-helix	trans	-60.5	-45.1	175.8	-64.7	158.7	0	0	0	110.8	A173 L175 F230 G245 V247 G251 Y252 N253	A173-I249 WeakPolarHBondContact O-CD1 3.46Å; L175-I249 HydrophobicContact CB-CG2 3.8Å; L175-I249 WeakPolarHBondContact O-CG2 3.48Å; F230-I249 HydrophobicContact CB-CG2 4.03Å; F230-I249 WeakPolarHBondContact O-CA 3.26Å; F230-I249 VanDerWaalsContact O-CG1 3.26Å; F230-I249 WeakPolarHBondContact O-CG1 3.3Å; G245-I249 WeakPolarHBondContact O-CB 3.28Å; G245-I249 VanDerWaalsContact O-CD1 3.28Å; G245-I249 WeakPolarHBondContact O-CD1 3.46Å; G245-I249 WeakPolarHBondContact O-CG1 3.38Å; G245-I249 PolarHBondContact O-N 2.96Å; V247-I249 PolarHBondContact O-N 2.77Å; I249-G251 VanDerWaalsContact C-N 3.28Å; I249-G251 PolarHBondContact O-N 2.69Å; I249-Y252 PolarHBondContact O-N 3.14Å; I249-N253 PolarHBondContact O-N 3.05Å; I249-N253 PolarHBondContact O-ND2 2.86Å
250	L	98.6	Very high	97.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.4	-34	175.4	-179.6	58.2	0	0	0	111.9	C158 L159 L162 L175 D246 V247 N253 F254 W257 F306	C158-L250 HydrophobicContact CB-CD1 3.71Å; C158-L250 HydrophobicContact CB-CD2 3.85Å; C158-L250 HydrophobicContact CB-CG 4.46Å; L159-L250 HydrophobicContact CD2-CD2 3.77Å; L159-L250 HydrophobicContact CG-CD2 3.82Å; L162-L250 HydrophobicContact CD1-CB 4.42Å; L162-L250 HydrophobicContact CD1-CD2 3.96Å; L175-L250 HydrophobicContact CD1-CB 4.46Å; L175-L250 HydrophobicContact CD1-CD1 4.09Å; L175-L250 HydrophobicContact CD2-CD1 3.88Å; D246-L250 WeakPolarHBondContact O-CB 3.07Å; D246-L250 PolarHBondContact O-N 3.48Å; V247-L250 PolarHBondContact O-N 3.32Å; L250-N253 WeakPolarHBondContact O-CB 3.5Å; L250-N253 PolarHBondContact O-N 3.05Å; L250-F254 WeakPolarHBondContact O-CD1 3.46Å; L250-F254 PolarHBondContact O-N 3.07Å; L250-W257 HydrophobicContact CD1-CH2 4.42Å; L250-W257 HydrophobicContact CD1-CZ3 4.39Å; L250-F306 HydrophobicContact CB-CZ 4.3Å; L250-F306 HydrophobicContact CD2-CZ 4.23Å; L250-F306 HydrophobicContact CG-CZ 4.17Å
251	G	98.5	Very high	97.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.2	-51.7	171.9	0	0	0	0	0	112.4	V247 E248 I249 N253 F254 L255 F307	V247-G251 PolarHBondContact O-N 2.89Å; E248-G251 WeakPolarHBondContact O-CA 3.43Å; E248-G251 PolarHBondContact O-N 2.72Å; E248-G251 VanDerWaalsContact O-N 3.12Å; I249-G251 VanDerWaalsContact C-N 3.28Å; I249-G251 PolarHBondContact O-N 2.69Å; G251-N253 VanDerWaalsContact C-N 3.28Å; G251-N253 PolarHBondContact O-N 2.97Å; G251-F254 PolarHBondContact O-N 2.85Å; G251-L255 WeakPolarHBondContact O-CG 3.37Å; G251-L255 PolarHBondContact O-N 2.95Å; G251-L255 VanDerWaalsContact O-N 3.12Å; G251-F307 VanDerWaalsContact CA-CZ 3.47Å
252	Y	98.6	Very high	97.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-65.3	-32.1	177.6	-57.1	-29.8	0	0	0	112.2	F230 E248 I249 L256 W264 K277 L280 F307 Y311	F230-Y252 WeakPolarHBondContact O-CD2 3.48Å; E248-Y252 HydrophobicContact CG-CE1 4.39Å; E248-Y252 HydrophobicContact CG-CE2 3.77Å; E248-Y252 PolarHBondContact O-N 3.15Å; E248-Y252 PolarHBondContact OE1-OH 3.11Å; I249-Y252 PolarHBondContact O-N 3.14Å; Y252-L256 PolarHBondContact O-N 2.87Å; Y252-W264 AromaticContact CD1-CH2 3.61Å; Y252-W264 HydrophobicContact CD1-CH2 3.61Å; Y252-W264 AromaticContact CD1-CZ2 3.75Å; Y252-W264 HydrophobicContact CD1-CZ2 3.75Å; Y252-W264 HydrophobicContact CD2-CZ2 4.11Å; Y252-W264 AromaticContact CE1-CH2 3.66Å; Y252-W264 HydrophobicContact CE1-CH2 3.66Å; Y252-W264 HydrophobicContact CE1-CZ2 4.1Å; Y252-W264 HydrophobicContact CE2-CZ2 4.4Å; Y252-W264 HydrophobicContact CG-CH2 4.15Å; Y252-W264 AromaticContact CG-CZ2 3.78Å; Y252-W264 HydrophobicContact CG-CZ2 3.78Å; Y252-K277 HydrophobicContact CD2-CD 4.41Å; Y252-K277 HydrophobicContact CE2-CD 3.66Å; Y252-K277 HydrophobicContact CE2-CG 4.01Å; Y252-L280 HydrophobicContact CD1-CD2 4.25Å; Y252-L280 HydrophobicContact CE1-CD2 3.66Å; Y252-F307 AromaticContact CD1-CE1 3.7Å; Y252-F307 HydrophobicContact CD1-CE1 3.7Å; Y252-F307 AromaticContact CD1-CZ 3.61Å; Y252-F307 HydrophobicContact CD1-CZ 3.61Å; Y252-F307 HydrophobicContact CE1-CD1 4.5Å; Y252-F307 AromaticContact CE1-CE1 3.44Å; Y252-F307 HydrophobicContact CE1-CE1 3.44Å; Y252-F307 VanDerWaalsContact CE1-CE1 3.44Å; Y252-F307 AromaticContact CE1-CZ 3.78Å; Y252-F307 HydrophobicContact CE1-CZ 3.78Å; Y252-Y311 PolarHBondContact OH-OH 2.9Å
253	N	98.3	Very high	97.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.8	-52.4	173.8	-89	-91.9	0	0	0	112.9	L175 K176 G177 I249 L250 G251 L255 L256 W257	L175-N253 HydrophobicContact CD2-CB 4.01Å; L175-N253 PolarHBondContact O-ND2 2.84Å; K176-N253 VanDerWaalsContact CA-OD1 3.26Å; K176-N253 WeakPolarHBondContact CA-OD1 3.28Å; G177-N253 PolarHBondContact N-OD1 3.03Å; I249-N253 PolarHBondContact O-N 3.05Å; I249-N253 PolarHBondContact O-ND2 2.86Å; L250-N253 WeakPolarHBondContact O-CB 3.5Å; L250-N253 PolarHBondContact O-N 3.05Å; G251-N253 VanDerWaalsContact C-N 3.28Å; G251-N253 PolarHBondContact O-N 2.97Å; N253-L255 VanDerWaalsContact C-N 3.27Å; N253-L255 PolarHBondContact O-N 3.1Å; N253-L256 WeakPolarHBondContact O-CB 3.29Å; N253-L256 PolarHBondContact O-N 2.92Å; N253-L256 VanDerWaalsContact O-N 3.11Å; N253-W257 HydrophobicContact CB-CD2 4.44Å; N253-W257 HydrophobicContact CB-CH2 3.9Å; N253-W257 HydrophobicContact CB-CZ2 3.72Å; N253-W257 HydrophobicContact CB-CZ3 4.32Å; N253-W257 PolarHBondContact O-N 3.42Å; N253-W257 WeakPolarHBondContact OD1-CZ2 3.43Å
254	F	95.2	Very high	97.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-68.2	-28.8	-178.9	77.4	-117.4	0	0	0	112.4	V151 L250 G251 W257 L258 A303 F306 F307	V151-F254 HydrophobicContact CG1-CB 3.68Å; L250-F254 WeakPolarHBondContact O-CD1 3.46Å; L250-F254 PolarHBondContact O-N 3.07Å; G251-F254 PolarHBondContact O-N 2.85Å; F254-W257 HydrophobicContact CB-CE3 4.15Å; F254-W257 PolarHBondContact O-N 3.37Å; F254-L258 HydrophobicContact CD2-CD1 4.15Å; F254-L258 WeakPolarHBondContact O-CG 3.22Å; F254-L258 PolarHBondContact O-N 3.34Å; F254-A303 HydrophobicContact CE2-CB 3.89Å; F254-A303 HydrophobicContact CZ-CB 4.22Å; F254-F306 HydrophobicContact CD1-CE1 4.49Å; F254-F306 HydrophobicContact CD1-CZ 4.46Å; F254-F306 HydrophobicContact CE1-CB 4.4Å; F254-F306 AromaticContact CE1-CD1 3.55Å; F254-F306 HydrophobicContact CE1-CD1 3.55Å; F254-F306 AromaticContact CE1-CD2 3.91Å; F254-F306 HydrophobicContact CE1-CD2 3.91Å; F254-F306 AromaticContact CE1-CE1 3.65Å; F254-F306 HydrophobicContact CE1-CE1 3.65Å; F254-F306 HydrophobicContact CE1-CE2 4Å; F254-F306 AromaticContact CE1-CG 3.69Å; F254-F306 HydrophobicContact CE1-CG 3.69Å; F254-F306 AromaticContact CE1-CZ 3.89Å; F254-F306 HydrophobicContact CE1-CZ 3.89Å; F254-F306 HydrophobicContact CZ-CB 4.26Å; F254-F306 AromaticContact CZ-CD1 3.96Å; F254-F306 HydrophobicContact CZ-CD1 3.96Å; F254-F306 HydrophobicContact CZ-CE1 4.47Å; F254-F306 HydrophobicContact CZ-CG 4.02Å; F254-F307 HydrophobicContact CZ-CE2 4.3Å
255	L	97.9	Very high	97.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.1	-45	169.8	-74.8	-177.7	0	0	0	111.7	G251 N253 W257 L258 C259 L262 L288 M291 L292 A303 F307	G251-L255 WeakPolarHBondContact O-CG 3.37Å; G251-L255 PolarHBondContact O-N 2.95Å; G251-L255 VanDerWaalsContact O-N 3.12Å; N253-L255 VanDerWaalsContact C-N 3.27Å; N253-L255 PolarHBondContact O-N 3.1Å; L255-W257 VanDerWaalsContact C-N 3.31Å; L255-W257 PolarHBondContact O-N 2.8Å; L255-L258 PolarHBondContact O-N 3.41Å; L255-C259 VanDerWaalsContact O-CB 3.28Å; L255-C259 WeakPolarHBondContact O-CB 3.34Å; L255-C259 PolarHBondContact O-N 3.21Å; L255-L262 HydrophobicContact CB-CD2 3.8Å; L255-L288 HydrophobicContact CD1-CD2 4.04Å; L255-L288 HydrophobicContact CD2-CD2 3.78Å; L255-M291 HydrophobicContact CB-CE 3.91Å; L255-M291 HydrophobicContact CD1-CE 3.89Å; L255-M291 HydrophobicContact CD1-SD 4.18Å; L255-M291 HydrophobicContact CD2-CE 4.29Å; L255-M291 HydrophobicContact CG-CE 4.26Å; L255-L292 HydrophobicContact CD2-CD1 4.04Å; L255-L292 HydrophobicContact CD2-CD2 4.39Å; L255-L292 HydrophobicContact CD2-CG 4.37Å; L255-A303 HydrophobicContact CD2-CB 4.47Å; L255-F307 HydrophobicContact CD1-CE2 3.55Å; L255-F307 HydrophobicContact CD1-CZ 3.76Å; L255-F307 HydrophobicContact CG-CE2 4.01Å; L255-F307 HydrophobicContact CG-CZ 4.37Å
256	L	97.5	Very high	96.9	Very high	13 Å²	13	20.9 Å²	20.9	7%	0.068	12%	0.117	C	C	.	.	H	α-helix	trans	-61	-40.8	173.6	179.5	64.6	0	0	0	111.6	F230 Y252 N253 G260 L262	F230-L256 HydrophobicContact CE1-CB 4.32Å; F230-L256 HydrophobicContact CE1-CD2 3.54Å; F230-L256 HydrophobicContact CZ-CD2 3.47Å; F230-L256 VanDerWaalsContact CZ-CD2 3.47Å; Y252-L256 PolarHBondContact O-N 2.87Å; N253-L256 WeakPolarHBondContact O-CB 3.29Å; N253-L256 PolarHBondContact O-N 2.92Å; N253-L256 VanDerWaalsContact O-N 3.11Å; L256-G260 WeakPolarHBondContact CD1-O 3.17Å; L256-G260 VanDerWaalsContact O-CA 3.24Å; L256-G260 WeakPolarHBondContact O-CA 3.41Å; L256-G260 PolarHBondContact O-N 3.05Å; L256-L262 HydrophobicContact CB-CD1 4.43Å; L256-L262 HydrophobicContact CB-CD2 4.37Å; L256-L262 HydrophobicContact CB-CG 4.17Å; L256-L262 HydrophobicContact CD1-CG 4.46Å
257	W	97.2	Very high	96.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.8	-31.1	-178.8	-57.4	-19.7	0	0	0	113.3	V135 F146 V151 L154 L175 L250 N253 F254 L255	V135-W257 HydrophobicContact CG1-CZ2 4.16Å; F146-W257 HydrophobicContact CD2-CB 4.19Å; F146-W257 HydrophobicContact CD2-CG 4.43Å; F146-W257 PolarHBondContact N-O 3.38Å; V151-W257 HydrophobicContact CG1-CB 4.04Å; V151-W257 HydrophobicContact CG1-CE3 4.23Å; V151-W257 HydrophobicContact CG2-CB 3.8Å; L154-W257 HydrophobicContact CB-CZ3 4.36Å; L154-W257 HydrophobicContact CD2-CD2 4.14Å; L154-W257 HydrophobicContact CD2-CE3 3.68Å; L154-W257 HydrophobicContact CD2-CH2 3.75Å; L154-W257 HydrophobicContact CD2-CZ2 4.19Å; L154-W257 HydrophobicContact CD2-CZ3 3.49Å; L154-W257 VanDerWaalsContact CD2-CZ3 3.49Å; L154-W257 HydrophobicContact CG-CE3 4.2Å; L154-W257 HydrophobicContact CG-CH2 3.98Å; L154-W257 HydrophobicContact CG-CZ3 3.62Å; L175-W257 HydrophobicContact CD2-CH2 4.34Å; L250-W257 HydrophobicContact CD1-CH2 4.42Å; L250-W257 HydrophobicContact CD1-CZ3 4.39Å; N253-W257 HydrophobicContact CB-CD2 4.44Å; N253-W257 HydrophobicContact CB-CH2 3.9Å; N253-W257 HydrophobicContact CB-CZ2 3.72Å; N253-W257 HydrophobicContact CB-CZ3 4.32Å; N253-W257 PolarHBondContact O-N 3.42Å; N253-W257 WeakPolarHBondContact OD1-CZ2 3.43Å; F254-W257 HydrophobicContact CB-CE3 4.15Å; F254-W257 PolarHBondContact O-N 3.37Å; L255-W257 VanDerWaalsContact C-N 3.31Å; L255-W257 PolarHBondContact O-N 2.8Å
258	L	96.5	Very high	96.5	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-79	-49.8	172.7	-69.7	172.5	0	0	0	112.7	T145 P148 V151 F152 F254 L255 L292 L296 A299	T145-L258 WeakPolarHBondContact CG2-O 3.21Å; P148-L258 HydrophobicContact CB-CD2 3.7Å; P148-L258 HydrophobicContact CG-CD2 3.91Å; V151-L258 HydrophobicContact CB-CD2 3.99Å; V151-L258 HydrophobicContact CB-CG 4.4Å; V151-L258 HydrophobicContact CG1-CD2 4.09Å; V151-L258 HydrophobicContact CG1-CG 3.97Å; V151-L258 HydrophobicContact CG2-CD2 3.96Å; V151-L258 HydrophobicContact CG2-CG 4.39Å; F152-L258 HydrophobicContact CE1-CD1 4.47Å; F152-L258 HydrophobicContact CZ-CD1 4.11Å; F254-L258 HydrophobicContact CD2-CD1 4.15Å; F254-L258 WeakPolarHBondContact O-CG 3.22Å; F254-L258 PolarHBondContact O-N 3.34Å; L255-L258 PolarHBondContact O-N 3.41Å; L258-L292 HydrophobicContact CB-CD2 4.2Å; L258-L292 HydrophobicContact CD1-CD2 3.89Å; L258-L296 HydrophobicContact CB-CD1 4.4Å; L258-L296 HydrophobicContact CD2-CD2 4.29Å; L258-L296 WeakPolarHBondContact O-CD1 3.38Å; L258-A299 HydrophobicContact CD1-CB 4.2Å
259	C	96.2	Very high	96.4	Very high	18 Å²	18	30.2 Å²	30.2	12%	0.122	18%	0.18	C	C	.	.	H	α-helix	trans	-91.3	-24.3	-168.3	-65.4	0	0	0	0	113.8	L255 Y261 L292	L255-C259 VanDerWaalsContact O-CB 3.28Å; L255-C259 WeakPolarHBondContact O-CB 3.34Å; L255-C259 PolarHBondContact O-N 3.21Å; C259-Y261 HydrophobicContact CB-CD1 4.1Å; C259-Y261 HydrophobicContact CB-CE1 4Å; C259-Y261 VanDerWaalsContact O-CD1 3.3Å; C259-Y261 WeakPolarHBondContact O-CD1 3.23Å; C259-Y261 PolarHBondContact O-N 3.31Å; C259-L292 VanDerWaalsContact SG-CD2 3.59Å
260	G	95.2	Very high	96.3	Very high	26 Å²	26	31 Å²	31	27%	0.268	19%	0.186	S	C	.	.	S	Bend	trans	84.7	-15.7	-175.4	0	0	0	0	0	114.6	R139 G144 L256	R139-G260 PolarHBondContact NH1-O 3.39Å; G144-G260 WeakPolarHBondContact O-CA 3.35Å; L256-G260 WeakPolarHBondContact CD1-O 3.17Å; L256-G260 VanDerWaalsContact O-CA 3.24Å; L256-G260 WeakPolarHBondContact O-CA 3.41Å; L256-G260 PolarHBondContact O-N 3.05Å
261	Y	94.2	Very high	96.3	Very high	107 Å²	107	35.3 Å²	35.3	42%	0.42	21%	0.21	S	C	.	.	S	Bend	trans	-138.7	162.2	177.4	72.3	-79.9	0	0	0	111.2	C259	C259-Y261 HydrophobicContact CB-CD1 4.1Å; C259-Y261 HydrophobicContact CB-CE1 4Å; C259-Y261 VanDerWaalsContact O-CD1 3.3Å; C259-Y261 WeakPolarHBondContact O-CD1 3.23Å; C259-Y261 PolarHBondContact O-N 3.31Å
262	L	97.1	Very high	96.2	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	22%	0.222	C	C	.	.			trans	-112.9	153.1	161.3	-65.9	171.7	0	0	0	109.3	F230 L255 L256 W264 S265 M291	F230-L262 HydrophobicContact CD1-CD1 4.24Å; F230-L262 HydrophobicContact CE1-CD1 4.11Å; L255-L262 HydrophobicContact CB-CD2 3.8Å; L256-L262 HydrophobicContact CB-CD1 4.43Å; L256-L262 HydrophobicContact CB-CD2 4.37Å; L256-L262 HydrophobicContact CB-CG 4.17Å; L256-L262 HydrophobicContact CD1-CG 4.46Å; L262-W264 HydrophobicContact CB-CD2 4.23Å; L262-W264 HydrophobicContact CB-CG 4.47Å; L262-W264 HydrophobicContact CB-CZ2 4.23Å; L262-W264 HydrophobicContact CD1-CZ2 3.93Å; L262-W264 HydrophobicContact CD2-CZ2 4.28Å; L262-W264 HydrophobicContact CG-CZ2 4.38Å; L262-W264 PolarHBondContact O-N 3.28Å; L262-S265 PolarHBondContact N-OG 3.47Å; L262-S265 PolarHBondContact O-N 3.14Å; L262-S265 VanDerWaalsContact O-N 3.09Å; L262-S265 PolarHBondContact O-OG 3.45Å; L262-M291 HydrophobicContact CD2-CE 4.03Å
263	P	95.9	Very high	96.2	Very high	48 Å²	48	36.8 Å²	36.8	31%	0.312	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-11.4	-177.3	-24.1	35.1	0	0	0	114.8	M276 M291	P263-M276 HydrophobicContact CB-CE 3.9Å; P263-M276 WeakPolarHBondContact O-CE 3.39Å; P263-M291 HydrophobicContact CG-CE 4.14Å; P263-M291 HydrophobicContact CG-CG 3.93Å; P263-M291 HydrophobicContact CG-SD 3.49Å; P263-M291 WeakPolarHBondContact CG-SD 3.21Å
264	W	97.4	Very high	96.2	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	8	-176.9	56.6	73.9	0	0	0	114.1	D229 Y252 L262 D266 C267 V273 M276 K277 L280	D229-W264 PolarHBondContact O-NE1 3.01Å; Y252-W264 AromaticContact CD1-CH2 3.61Å; Y252-W264 HydrophobicContact CD1-CH2 3.61Å; Y252-W264 AromaticContact CD1-CZ2 3.75Å; Y252-W264 HydrophobicContact CD1-CZ2 3.75Å; Y252-W264 HydrophobicContact CD2-CZ2 4.11Å; Y252-W264 AromaticContact CE1-CH2 3.66Å; Y252-W264 HydrophobicContact CE1-CH2 3.66Å; Y252-W264 HydrophobicContact CE1-CZ2 4.1Å; Y252-W264 HydrophobicContact CE2-CZ2 4.4Å; Y252-W264 HydrophobicContact CG-CH2 4.15Å; Y252-W264 AromaticContact CG-CZ2 3.78Å; Y252-W264 HydrophobicContact CG-CZ2 3.78Å; L262-W264 HydrophobicContact CB-CD2 4.23Å; L262-W264 HydrophobicContact CB-CG 4.47Å; L262-W264 HydrophobicContact CB-CZ2 4.23Å; L262-W264 HydrophobicContact CD1-CZ2 3.93Å; L262-W264 HydrophobicContact CD2-CZ2 4.28Å; L262-W264 HydrophobicContact CG-CZ2 4.38Å; L262-W264 PolarHBondContact O-N 3.28Å; W264-D266 VanDerWaalsContact C-N 3.27Å; W264-D266 PolarHBondContact O-N 2.83Å; W264-C267 VanDerWaalsContact CA-SG 3.6Å; W264-C267 HydrophobicContact CB-CB 4.48Å; W264-C267 WeakPolarHBondContact O-CB 3.49Å; W264-C267 PolarHBondContact O-N 3.18Å; W264-V273 HydrophobicContact CB-CB 4.45Å; W264-V273 HydrophobicContact CB-CG1 4.4Å; W264-V273 HydrophobicContact CB-CG2 4.16Å; W264-V273 HydrophobicContact CG-CB 4.48Å; W264-V273 HydrophobicContact CG-CG1 3.92Å; W264-V273 HydrophobicContact CG-CG2 4.37Å; W264-M276 HydrophobicContact CB-CB 3.79Å; W264-M276 HydrophobicContact CB-CG 4.16Å; W264-M276 HydrophobicContact CD2-CB 4.45Å; W264-M276 HydrophobicContact CE3-CB 3.91Å; W264-M276 HydrophobicContact CG-CB 4.47Å; W264-K277 HydrophobicContact CD2-CG 4.18Å; W264-K277 HydrophobicContact CE3-CG 4.13Å; W264-K277 HydrophobicContact CH2-CG 3.78Å; W264-K277 HydrophobicContact CZ2-CD 4.35Å; W264-K277 HydrophobicContact CZ2-CG 3.81Å; W264-K277 HydrophobicContact CZ3-CG 3.94Å; W264-L280 HydrophobicContact CH2-CD2 3.57Å; W264-L280 HydrophobicContact CZ3-CB 4.27Å; W264-L280 HydrophobicContact CZ3-CD2 3.67Å
265	S	92.5	Very high	96.3	Very high	37 Å²	37	42.9 Å²	42.9	26%	0.259	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-39.9	179.9	-68.5	0	0	0	0	112.4	R228 D229 L262 C267	R228-S265 PolarHBondContact NH2-O 3.12Å; D229-S265 WeakPolarHBondContact OD2-CA 3.42Å; L262-S265 PolarHBondContact N-OG 3.47Å; L262-S265 PolarHBondContact O-N 3.14Å; L262-S265 VanDerWaalsContact O-N 3.09Å; L262-S265 PolarHBondContact O-OG 3.45Å; S265-C267 VanDerWaalsContact C-N 3.28Å; S265-C267 PolarHBondContact O-N 3.34Å
266	D	93.4	Very high	96.4	Very high	171 Å²	171	46 Å²	46	91%	0.914	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.4	177.2	-63	-38.8	0	0	0	114.1	W264	W264-D266 VanDerWaalsContact C-N 3.27Å; W264-D266 PolarHBondContact O-N 2.83Å
267	C	96.2	Very high	96.4	Very high	27 Å²	27	45.4 Å²	45.4	18%	0.182	26%	0.262	C	S	.	.			trans	-63.6	141.2	174.1	-69.6	0	0	0	0	110.3	R228 W264 S265 A272 V273	R228-C267 PolarHBondContact NH1-O 3.2Å; W264-C267 VanDerWaalsContact CA-SG 3.6Å; W264-C267 HydrophobicContact CB-CB 4.48Å; W264-C267 WeakPolarHBondContact O-CB 3.49Å; W264-C267 PolarHBondContact O-N 3.18Å; S265-C267 VanDerWaalsContact C-N 3.28Å; S265-C267 PolarHBondContact O-N 3.34Å; C267-A272 HydrophobicContact CB-CB 3.86Å; C267-V273 HydrophobicContact CB-CG2 3.73Å
268	S	93.7	Very high	96.4	Very high	110 Å²	110	47.6 Å²	47.6	77%	0.769	27%	0.272	S	S	*	.	S	Bend	trans	-86.4	-33.7	-178.3	53.6	0	0	0	0	113.6
269	T	96.5	Very high	96.5	Very high	63 Å²	63	50.1 Å²	50.1	39%	0.387	29%	0.288	S	S	.	.	S	Bend	trans	-111.1	159.8	-177.7	67.7	0	0	0	0	112.5	D271 A272 V273	T269-D271 VanDerWaalsContact C-N 3.32Å; T269-A272 PolarHBondContact O-N 2.64Å; T269-A272 WeakPolarHBondContact OG1-CB 3.28Å; T269-A272 PolarHBondContact OG1-N 3.43Å; T269-A272 VanDerWaalsContact OG1-N 3.14Å; T269-V273 PolarHBondContact O-N 2.71Å
270	A	96.7	Very high	96.6	Very high	19 Å²	19	49.4 Å²	49.4	16%	0.157	28%	0.283	C	S	.	.	H	α-helix	trans	-70.6	-28.3	174.3	0	0	0	0	0	112.5	H224 R228 H236 V273 F274	H224-A270 HydrophobicContact CB-CB 3.7Å; H224-A270 WeakPolarHBondContact CD2-CB 3.47Å; H224-A270 VanDerWaalsContact CG-CB 3.42Å; R228-A270 HydrophobicContact CG-CB 4.22Å; H236-A270 PolarHBondContact CE1-O 2.82Å; H236-A270 PolarHBondContact ND1-O 3.03Å; A270-V273 PolarHBondContact O-N 3.49Å; A270-F274 WeakPolarHBondContact O-CB 3.46Å; A270-F274 PolarHBondContact O-N 2.89Å
271	D	97.1	Very high	96.7	Very high	91 Å²	91	51 Å²	51	49%	0.487	28%	0.282	S	S	.	.	H	α-helix	trans	-63.1	-44.8	171.4	-46.1	-91.2	0	0	0	111.7	H224 T269 V273 F274 E275	H224-D271 IonicContact NE2-OD1 3.23Å; T269-D271 VanDerWaalsContact C-N 3.32Å; D271-V273 VanDerWaalsContact C-N 3.3Å; D271-V273 PolarHBondContact O-N 2.93Å; D271-F274 WeakPolarHBondContact O-CA 3.33Å; D271-F274 WeakPolarHBondContact O-CB 3.46Å; D271-F274 PolarHBondContact O-N 3.08Å; D271-E275 PolarHBondContact O-N 2.86Å
272	A	97.7	Very high	96.9	Very high	32 Å²	32	49.6 Å²	49.6	26%	0.264	29%	0.292	S	S	.	.	H	α-helix	trans	-63.4	-37.5	177.9	0	0	0	0	0	111.7	C267 T269 M276	C267-A272 HydrophobicContact CB-CB 3.86Å; T269-A272 PolarHBondContact O-N 2.64Å; T269-A272 WeakPolarHBondContact OG1-CB 3.28Å; T269-A272 PolarHBondContact OG1-N 3.43Å; T269-A272 VanDerWaalsContact OG1-N 3.14Å; A272-M276 VanDerWaalsContact O-CG 3.28Å; A272-M276 WeakPolarHBondContact O-CG 3.08Å; A272-M276 PolarHBondContact O-N 2.88Å; A272-M276 VanDerWaalsContact O-N 3.16Å
273	V	98.2	Very high	96.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-41.2	170.7	173.9	0	0	0	0	111.4	R228 W264 C267 T269 A270 D271 M276 K277	R228-V273 HydrophobicContact CG-CB 4.49Å; R228-V273 HydrophobicContact CG-CG2 4.08Å; W264-V273 HydrophobicContact CB-CB 4.45Å; W264-V273 HydrophobicContact CB-CG1 4.4Å; W264-V273 HydrophobicContact CB-CG2 4.16Å; W264-V273 HydrophobicContact CG-CB 4.48Å; W264-V273 HydrophobicContact CG-CG1 3.92Å; W264-V273 HydrophobicContact CG-CG2 4.37Å; C267-V273 HydrophobicContact CB-CG2 3.73Å; T269-V273 PolarHBondContact O-N 2.71Å; A270-V273 PolarHBondContact O-N 3.49Å; D271-V273 VanDerWaalsContact C-N 3.3Å; D271-V273 PolarHBondContact O-N 2.93Å; V273-M276 PolarHBondContact O-N 2.86Å; V273-K277 HydrophobicContact CG1-CD 4.01Å; V273-K277 VanDerWaalsContact CG1-CE 3.49Å; V273-K277 WeakPolarHBondContact O-CG 3.26Å; V273-K277 PolarHBondContact O-N 2.9Å
274	F	98.1	Very high	97	Very high	31 Å²	31	51.2 Å²	51.2	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-64.3	-43.9	177.9	178.9	-142.6	0	0	0	112.8	I233 H236 C237 A270 D271 M276 K277 K278	I233-F274 HydrophobicContact CG1-CE2 4.39Å; I233-F274 HydrophobicContact CG2-CE2 4.2Å; H236-F274 HydrophobicContact CB-CB 4.02Å; H236-F274 HydrophobicContact CB-CD1 4.43Å; H236-F274 HydrophobicContact CB-CD2 3.5Å; H236-F274 HydrophobicContact CB-CE2 4.04Å; H236-F274 HydrophobicContact CB-CG 3.74Å; C237-F274 VanDerWaalsContact SG-CZ 3.5Å; A270-F274 WeakPolarHBondContact O-CB 3.46Å; A270-F274 PolarHBondContact O-N 2.89Å; D271-F274 WeakPolarHBondContact O-CA 3.33Å; D271-F274 WeakPolarHBondContact O-CB 3.46Å; D271-F274 PolarHBondContact O-N 3.08Å; F274-M276 VanDerWaalsContact C-N 3.35Å; F274-M276 PolarHBondContact O-N 3.5Å; F274-K277 PolarHBondContact O-N 3.37Å; F274-K278 HydrophobicContact CD2-CD 4.35Å; F274-K278 HydrophobicContact CD2-CG 4.21Å; F274-K278 HydrophobicContact CE1-CD 4.29Å; F274-K278 HydrophobicContact CE2-CD 3.79Å; F274-K278 HydrophobicContact CE2-CG 3.84Å; F274-K278 HydrophobicContact CZ-CD 3.76Å; F274-K278 VanDerWaalsContact CZ-CE 3.5Å; F274-K278 HydrophobicContact CZ-CG 4.33Å; F274-K278 PolarHBondContact O-N 2.75Å
275	E	98.2	Very high	97	Very high	96 Å²	96	57.9 Å²	57.9	45%	0.449	32%	0.324	S	S	.	.	H	α-helix	trans	-59.7	-45.1	174	-65.1	-46.9	135.8	0	0	111.5	D271 K277 K278 V279	D271-E275 PolarHBondContact O-N 2.86Å; E275-K277 PolarHBondContact O-N 2.77Å; E275-K278 WeakPolarHBondContact O-CB 3.45Å; E275-K278 PolarHBondContact O-N 2.86Å; E275-K278 WeakPolarHBondContact OE1-CE 3.34Å; E275-K278 IonicContact OE1-NZ 2.83Å; E275-K278 PolarHBondContact OE1-NZ 3.06Å; E275-K278 VanDerWaalsContact OE2-CE 3.29Å; E275-K278 WeakPolarHBondContact OE2-CE 3.19Å; E275-K278 IonicContact OE2-NZ 3.55Å; E275-K278 PolarHBondContact OE2-NZ 3.11Å; E275-V279 WeakPolarHBondContact O-CG2 3.3Å; E275-V279 PolarHBondContact O-N 3.37Å
276	M	98.1	Very high	97.2	Very high	67 Å²	67	61.4 Å²	61.4	33%	0.33	34%	0.336	S	S	.	.	H	α-helix	trans	-65.8	-35.5	178.7	-68.5	-65.1	-73.3	0	0	112.8	P263 W264 A272 V273 F274 V279 L280	P263-M276 HydrophobicContact CB-CE 3.9Å; P263-M276 WeakPolarHBondContact O-CE 3.39Å; W264-M276 HydrophobicContact CB-CB 3.79Å; W264-M276 HydrophobicContact CB-CG 4.16Å; W264-M276 HydrophobicContact CD2-CB 4.45Å; W264-M276 HydrophobicContact CE3-CB 3.91Å; W264-M276 HydrophobicContact CG-CB 4.47Å; A272-M276 VanDerWaalsContact O-CG 3.28Å; A272-M276 WeakPolarHBondContact O-CG 3.08Å; A272-M276 PolarHBondContact O-N 2.88Å; A272-M276 VanDerWaalsContact O-N 3.16Å; V273-M276 PolarHBondContact O-N 2.86Å; F274-M276 VanDerWaalsContact C-N 3.35Å; F274-M276 PolarHBondContact O-N 3.5Å; M276-V279 PolarHBondContact O-N 2.88Å; M276-L280 PolarHBondContact O-N 2.86Å
277	K	98.4	Very high	97.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67	-38.8	171.8	-74.2	172.4	-178.5	172.3	0	112.3	R228 D229 T231 I233 H236 Y252 W264 V273 F274 E275 L280 K281	R228-K277 PolarHBondContact O-NZ 3.16Å; D229-K277 VanDerWaalsContact O-CE 3.23Å; D229-K277 WeakPolarHBondContact O-CE 3.41Å; D229-K277 PolarHBondContact O-NZ 2.95Å; D229-K277 VanDerWaalsContact O-NZ 3.08Å; T231-K277 PolarHBondContact O-NZ 2.77Å; I233-K277 HydrophobicContact CD1-CB 4.39Å; I233-K277 HydrophobicContact CG1-CB 4.16Å; H236-K277 PolarHBondContact NE2-NZ 2.79Å; Y252-K277 HydrophobicContact CD2-CD 4.41Å; Y252-K277 HydrophobicContact CE2-CD 3.66Å; Y252-K277 HydrophobicContact CE2-CG 4.01Å; W264-K277 HydrophobicContact CD2-CG 4.18Å; W264-K277 HydrophobicContact CE3-CG 4.13Å; W264-K277 HydrophobicContact CH2-CG 3.78Å; W264-K277 HydrophobicContact CZ2-CD 4.35Å; W264-K277 HydrophobicContact CZ2-CG 3.81Å; W264-K277 HydrophobicContact CZ3-CG 3.94Å; V273-K277 HydrophobicContact CG1-CD 4.01Å; V273-K277 VanDerWaalsContact CG1-CE 3.49Å; V273-K277 WeakPolarHBondContact O-CG 3.26Å; V273-K277 PolarHBondContact O-N 2.9Å; F274-K277 PolarHBondContact O-N 3.37Å; E275-K277 PolarHBondContact O-N 2.77Å; K277-L280 PolarHBondContact O-N 3.42Å; K277-K281 PolarHBondContact O-N 3.09Å
278	K	98	Very high	97.5	Very high	45 Å²	45	53.2 Å²	53.2	20%	0.196	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-40.8	171.1	-78.8	-177.4	-77.3	161.1	0	112.2	F274 E275 K281 A282 F381	F274-K278 HydrophobicContact CD2-CD 4.35Å; F274-K278 HydrophobicContact CD2-CG 4.21Å; F274-K278 HydrophobicContact CE1-CD 4.29Å; F274-K278 HydrophobicContact CE2-CD 3.79Å; F274-K278 HydrophobicContact CE2-CG 3.84Å; F274-K278 HydrophobicContact CZ-CD 3.76Å; F274-K278 VanDerWaalsContact CZ-CE 3.5Å; F274-K278 HydrophobicContact CZ-CG 4.33Å; F274-K278 PolarHBondContact O-N 2.75Å; E275-K278 WeakPolarHBondContact O-CB 3.45Å; E275-K278 PolarHBondContact O-N 2.86Å; E275-K278 WeakPolarHBondContact OE1-CE 3.34Å; E275-K278 IonicContact OE1-NZ 2.83Å; E275-K278 PolarHBondContact OE1-NZ 3.06Å; E275-K278 VanDerWaalsContact OE2-CE 3.29Å; E275-K278 WeakPolarHBondContact OE2-CE 3.19Å; E275-K278 IonicContact OE2-NZ 3.55Å; E275-K278 PolarHBondContact OE2-NZ 3.11Å; K278-K281 PolarHBondContact O-N 3.25Å; K278-A282 WeakPolarHBondContact O-CB 3.37Å; K278-A282 PolarHBondContact O-N 3.49Å; K278-F381 HydrophobicContact CD-CE1 4.47Å; K278-F381 HydrophobicContact CG-CE1 4.5Å
279	V	97.9	Very high	97.7	Very high	60 Å²	60	53.8 Å²	53.8	36%	0.364	28%	0.278	S	S	.	.	H	α-helix	trans	-61.7	-44	174.1	170.5	0	0	0	0	111.2	E275 M276 A282 N283 E287	E275-V279 WeakPolarHBondContact O-CG2 3.3Å; E275-V279 PolarHBondContact O-N 3.37Å; M276-V279 PolarHBondContact O-N 2.88Å; V279-A282 PolarHBondContact O-N 3.04Å; V279-N283 WeakPolarHBondContact O-CB 3.24Å; V279-N283 PolarHBondContact O-N 3.33Å; V279-N283 PolarHBondContact O-ND2 2.88Å; V279-N283 VanDerWaalsContact O-ND2 3.12Å; V279-E287 HydrophobicContact CG1-CG 4.32Å
280	L	98	Very high	97.7	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-61.6	-43.3	173.1	173.7	62.4	0	0	0	112.1	Y252 W264 M276 K277 L284 E287 L288	Y252-L280 HydrophobicContact CD1-CD2 4.25Å; Y252-L280 HydrophobicContact CE1-CD2 3.66Å; W264-L280 HydrophobicContact CH2-CD2 3.57Å; W264-L280 HydrophobicContact CZ3-CB 4.27Å; W264-L280 HydrophobicContact CZ3-CD2 3.67Å; M276-L280 PolarHBondContact O-N 2.86Å; K277-L280 PolarHBondContact O-N 3.42Å; L280-L284 HydrophobicContact CD1-CD1 3.83Å; L280-L284 HydrophobicContact CG-CD1 4.35Å; L280-L284 WeakPolarHBondContact O-CA 3.38Å; L280-L284 WeakPolarHBondContact O-CB 3.32Å; L280-L284 PolarHBondContact O-N 3.41Å; L280-E287 HydrophobicContact CD1-CB 3.65Å; L280-E287 HydrophobicContact CD1-CG 4.44Å; L280-L288 HydrophobicContact CD1-CG 4.49Å
281	K	98	Very high	97.7	Very high	59 Å²	59	56 Å²	56	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-62.8	-42.7	176.5	-179.2	163.2	-176.2	161	0	112.1	I233 K277 K278 Y311	I233-K281 HydrophobicContact CD1-CB 4.04Å; I233-K281 HydrophobicContact CD1-CD 3.77Å; K277-K281 PolarHBondContact O-N 3.09Å; K278-K281 PolarHBondContact O-N 3.25Å; K281-Y311 HydrophobicContact CB-CD2 4.37Å; K281-Y311 HydrophobicContact CB-CE1 4.3Å; K281-Y311 HydrophobicContact CB-CE2 3.9Å; K281-Y311 HydrophobicContact CD-CD1 3.67Å; K281-Y311 HydrophobicContact CD-CD2 4.26Å; K281-Y311 HydrophobicContact CD-CE1 3.85Å; K281-Y311 HydrophobicContact CD-CE2 4.44Å; K281-Y311 HydrophobicContact CD-CG 3.89Å; K281-Y311 HydrophobicContact CG-CD1 4.11Å; K281-Y311 HydrophobicContact CG-CD2 3.8Å; K281-Y311 HydrophobicContact CG-CE1 4.13Å; K281-Y311 HydrophobicContact CG-CE2 3.85Å; K281-Y311 HydrophobicContact CG-CG 3.94Å
282	A	97.8	Very high	97.7	Very high	77 Å²	77	51.8 Å²	51.8	64%	0.636	26%	0.257	S	S	*	.	H	α-helix	trans	-75.2	-29.7	-178.7	0	0	0	0	0	114.2	K278 V279	K278-A282 WeakPolarHBondContact O-CB 3.37Å; K278-A282 PolarHBondContact O-N 3.49Å; V279-A282 PolarHBondContact O-N 3.04Å
283	N	97.6	Very high	97.6	Very high	71 Å²	71	54.4 Å²	54.4	38%	0.38	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	32.4	-173.6	-57.9	-89	0	0	0	112.1	V279 R285 Q286 E287	V279-N283 WeakPolarHBondContact O-CB 3.24Å; V279-N283 PolarHBondContact O-N 3.33Å; V279-N283 PolarHBondContact O-ND2 2.88Å; V279-N283 VanDerWaalsContact O-ND2 3.12Å; N283-R285 PolarHBondContact O-N 3.2Å; N283-R285 VanDerWaalsContact O-N 3.14Å; N283-Q286 HydrophobicContact CB-CB 4.38Å; N283-Q286 WeakPolarHBondContact O-CA 3.44Å; N283-Q286 WeakPolarHBondContact O-CB 3.4Å; N283-Q286 PolarHBondContact O-N 2.94Å; N283-Q286 PolarHBondContact O-OE1 2.97Å; N283-E287 HydrophobicContact CB-CG 4.03Å; N283-E287 PolarHBondContact O-N 3.34Å
284	L	97.9	Very high	97.4	Very high	16 Å²	16	56.9 Å²	56.9	8%	0.084	30%	0.295	C	S	.	.	H	α-helix	trans	-45.6	-51.9	-164.9	-179.6	60.5	0	0	0	114.6	L280 Q286 L288 Q304 F307 E308 Y311	L280-L284 HydrophobicContact CD1-CD1 3.83Å; L280-L284 HydrophobicContact CG-CD1 4.35Å; L280-L284 WeakPolarHBondContact O-CA 3.38Å; L280-L284 WeakPolarHBondContact O-CB 3.32Å; L280-L284 PolarHBondContact O-N 3.41Å; L284-Q286 VanDerWaalsContact C-N 3.28Å; L284-Q286 PolarHBondContact O-N 2.93Å; L284-L288 HydrophobicContact CD1-CD1 3.61Å; L284-L288 HydrophobicContact CD1-CG 3.92Å; L284-L288 HydrophobicContact CG-CD1 3.9Å; L284-L288 VanDerWaalsContact O-CB 3.26Å; L284-L288 WeakPolarHBondContact O-CB 3.34Å; L284-L288 WeakPolarHBondContact O-CG 3.38Å; L284-L288 PolarHBondContact O-N 2.84Å; L284-Q304 HydrophobicContact CD2-CG 4.33Å; L284-F307 HydrophobicContact CD1-CB 3.71Å; L284-F307 HydrophobicContact CD1-CD2 4.12Å; L284-F307 HydrophobicContact CD1-CG 4.01Å; L284-F307 HydrophobicContact CD2-CB 3.63Å; L284-F307 HydrophobicContact CG-CB 4.3Å; L284-E308 HydrophobicContact CD2-CG 3.78Å; L284-Y311 HydrophobicContact CD1-CE2 4.26Å; L284-Y311 HydrophobicContact CD2-CD2 4.31Å; L284-Y311 HydrophobicContact CD2-CE2 4.3Å
285	R	97	Very high	97.1	Very high	140 Å²	140	63.4 Å²	63.4	53%	0.528	32%	0.323	S	S	.	.	H	α-helix	trans	-67.8	-27.3	-178.2	-171.7	175	-170.3	-147.2	3.3	113.2	N283 K289	N283-R285 PolarHBondContact O-N 3.2Å; N283-R285 VanDerWaalsContact O-N 3.14Å; R285-K289 WeakPolarHBondContact O-CB 3.29Å; R285-K289 VanDerWaalsContact O-CG 3.24Å; R285-K289 WeakPolarHBondContact O-CG 3.23Å; R285-K289 PolarHBondContact O-N 3.07Å
286	Q	97.6	Very high	96.9	Very high	112 Å²	112	60.5 Å²	60.5	52%	0.523	31%	0.31	S	S	.	.	H	α-helix	trans	-81.5	-46.3	179.1	-71.9	78	-14.4	0	0	110.3	N283 L284 K289 K290	N283-Q286 HydrophobicContact CB-CB 4.38Å; N283-Q286 WeakPolarHBondContact O-CA 3.44Å; N283-Q286 WeakPolarHBondContact O-CB 3.4Å; N283-Q286 PolarHBondContact O-N 2.94Å; N283-Q286 PolarHBondContact O-OE1 2.97Å; L284-Q286 VanDerWaalsContact C-N 3.28Å; L284-Q286 PolarHBondContact O-N 2.93Å; Q286-K289 WeakPolarHBondContact O-CB 3.27Å; Q286-K289 PolarHBondContact O-N 3.22Å; Q286-K290 PolarHBondContact O-N 3.01Å
287	E	97.8	Very high	96.8	Very high	26 Å²	26	59.2 Å²	59.2	12%	0.121	31%	0.308	C	S	.	.	H	α-helix	trans	-68.4	-42.5	178.2	-57.3	-45.3	122.2	0	0	111.9	V279 L280 N283 K289 K290 M291	V279-E287 HydrophobicContact CG1-CG 4.32Å; L280-E287 HydrophobicContact CD1-CB 3.65Å; L280-E287 HydrophobicContact CD1-CG 4.44Å; N283-E287 HydrophobicContact CB-CG 4.03Å; N283-E287 PolarHBondContact O-N 3.34Å; E287-K289 PolarHBondContact O-N 3.39Å; E287-K290 WeakPolarHBondContact O-CB 3.29Å; E287-K290 PolarHBondContact O-N 2.98Å; E287-K290 WeakPolarHBondContact OE1-CE 3.33Å; E287-K290 IonicContact OE1-NZ 3.34Å; E287-K290 PolarHBondContact OE1-NZ 2.84Å; E287-K290 WeakPolarHBondContact OE2-CD 3.29Å; E287-K290 WeakPolarHBondContact OE2-CE 3.17Å; E287-K290 IonicContact OE2-NZ 2.71Å; E287-K290 PolarHBondContact OE2-NZ 3.36Å; E287-M291 PolarHBondContact O-N 3.07Å; E287-M291 VanDerWaalsContact O-N 3.12Å
288	L	98.1	Very high	96.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58.3	-35.1	173.1	-73.4	175	0	0	0	112.3	L255 L280 L284 K290 M291 L292 V300 A303 Q304	L255-L288 HydrophobicContact CD1-CD2 4.04Å; L255-L288 HydrophobicContact CD2-CD2 3.78Å; L280-L288 HydrophobicContact CD1-CG 4.49Å; L284-L288 HydrophobicContact CD1-CD1 3.61Å; L284-L288 HydrophobicContact CD1-CG 3.92Å; L284-L288 HydrophobicContact CG-CD1 3.9Å; L284-L288 VanDerWaalsContact O-CB 3.26Å; L284-L288 WeakPolarHBondContact O-CB 3.34Å; L284-L288 WeakPolarHBondContact O-CG 3.38Å; L284-L288 PolarHBondContact O-N 2.84Å; L288-K290 VanDerWaalsContact C-N 3.33Å; L288-K290 PolarHBondContact O-N 2.87Å; L288-M291 PolarHBondContact O-N 3.01Å; L288-L292 HydrophobicContact CD2-CD1 4.09Å; L288-L292 WeakPolarHBondContact O-CB 3.35Å; L288-L292 PolarHBondContact O-N 2.7Å; L288-V300 HydrophobicContact CB-CG1 4.39Å; L288-A303 HydrophobicContact CD1-CB 4.03Å; L288-A303 HydrophobicContact CD2-CB 3.94Å; L288-Q304 HydrophobicContact CD1-CB 3.82Å
289	K	97.4	Very high	96.5	Very high	121 Å²	121	58.1 Å²	58.1	53%	0.526	30%	0.303	S	S	.	.	H	α-helix	trans	-69.2	-24.5	174.1	-84.4	179.7	173.8	-168.9	0	114.1	R285 Q286 E287 V293 V300	R285-K289 WeakPolarHBondContact O-CB 3.29Å; R285-K289 VanDerWaalsContact O-CG 3.24Å; R285-K289 WeakPolarHBondContact O-CG 3.23Å; R285-K289 PolarHBondContact O-N 3.07Å; Q286-K289 WeakPolarHBondContact O-CB 3.27Å; Q286-K289 PolarHBondContact O-N 3.22Å; E287-K289 PolarHBondContact O-N 3.39Å; K289-V293 WeakPolarHBondContact O-CG1 3.42Å; K289-V300 HydrophobicContact CG-CG1 4.09Å; K289-V300 HydrophobicContact CG-CG2 4.4Å
290	K	96.6	Very high	96.5	Very high	124 Å²	124	56 Å²	56	54%	0.539	29%	0.291	S	S	.	.	H	α-helix	trans	-77.5	-34.7	172.7	-61.3	175.6	-159.4	166.1	0	111.6	Q286 E287 L288 V293	Q286-K290 PolarHBondContact O-N 3.01Å; E287-K290 WeakPolarHBondContact O-CB 3.29Å; E287-K290 PolarHBondContact O-N 2.98Å; E287-K290 WeakPolarHBondContact OE1-CE 3.33Å; E287-K290 IonicContact OE1-NZ 3.34Å; E287-K290 PolarHBondContact OE1-NZ 2.84Å; E287-K290 WeakPolarHBondContact OE2-CD 3.29Å; E287-K290 WeakPolarHBondContact OE2-CE 3.17Å; E287-K290 IonicContact OE2-NZ 2.71Å; E287-K290 PolarHBondContact OE2-NZ 3.36Å; L288-K290 VanDerWaalsContact C-N 3.33Å; L288-K290 PolarHBondContact O-N 2.87Å; K290-V293 WeakPolarHBondContact O-CG1 3.39Å
291	M	96.4	Very high	96.4	Very high	6 Å²	6	65.9 Å²	65.9	3%	0.03	33%	0.328	C	S	.	.	H	α-helix	trans	-80.4	-51.4	-179	-64.8	179.4	65.9	0	0	112.9	L255 L262 P263 E287 L288 V293	L255-M291 HydrophobicContact CB-CE 3.91Å; L255-M291 HydrophobicContact CD1-CE 3.89Å; L255-M291 HydrophobicContact CD1-SD 4.18Å; L255-M291 HydrophobicContact CD2-CE 4.29Å; L255-M291 HydrophobicContact CG-CE 4.26Å; L262-M291 HydrophobicContact CD2-CE 4.03Å; P263-M291 HydrophobicContact CG-CE 4.14Å; P263-M291 HydrophobicContact CG-CG 3.93Å; P263-M291 HydrophobicContact CG-SD 3.49Å; P263-M291 WeakPolarHBondContact CG-SD 3.21Å; E287-M291 PolarHBondContact O-N 3.07Å; E287-M291 VanDerWaalsContact O-N 3.12Å; L288-M291 PolarHBondContact O-N 3.01Å; M291-V293 PolarHBondContact O-N 3.16Å
292	L	97.1	Very high	96.3	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.01	32%	0.317	C	S	.	.	S	Bend	trans	-93.8	71.2	-171.6	-62.4	166.6	0	0	0	109.6	L255 L258 C259 L288 L296 S297 A299 V300 A303	L255-L292 HydrophobicContact CD2-CD1 4.04Å; L255-L292 HydrophobicContact CD2-CD2 4.39Å; L255-L292 HydrophobicContact CD2-CG 4.37Å; L258-L292 HydrophobicContact CB-CD2 4.2Å; L258-L292 HydrophobicContact CD1-CD2 3.89Å; C259-L292 VanDerWaalsContact SG-CD2 3.59Å; L288-L292 HydrophobicContact CD2-CD1 4.09Å; L288-L292 WeakPolarHBondContact O-CB 3.35Å; L288-L292 PolarHBondContact O-N 2.7Å; L292-L296 HydrophobicContact CB-CB 4.28Å; L292-L296 HydrophobicContact CD2-CB 4.12Å; L292-L296 HydrophobicContact CD2-CD1 4.34Å; L292-S297 WeakPolarHBondContact O-CA 3.44Å; L292-S297 PolarHBondContact O-N 2.71Å; L292-A299 HydrophobicContact CD1-CB 4.24Å; L292-A299 HydrophobicContact CD2-CB 4.25Å; L292-V300 HydrophobicContact CB-CG2 3.72Å; L292-V300 HydrophobicContact CD1-CG2 4.35Å; L292-A303 HydrophobicContact CD1-CB 3.81Å
293	V	95	Very high	96.3	Very high	86 Å²	86	59.6 Å²	59.6	52%	0.521	29%	0.287	S	S	.	.			trans	-96.3	161	-175.7	-67.9	0	0	0	0	113.2	K289 K290 M291 K295 L296	K289-V293 WeakPolarHBondContact O-CG1 3.42Å; K290-V293 WeakPolarHBondContact O-CG1 3.39Å; M291-V293 PolarHBondContact O-N 3.16Å; V293-K295 PolarHBondContact O-N 2.64Å; V293-L296 PolarHBondContact O-N 3.03Å
294	G	94	Very high	96.4	Very high	53 Å²	53	57.9 Å²	57.9	55%	0.546	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	54.3	-119.3	174	0	0	0	0	0	112.6	L296 S297	G294-L296 PolarHBondContact O-N 2.81Å; G294-L296 VanDerWaalsContact O-N 3.13Å; G294-S297 WeakPolarHBondContact O-CB 3.31Å; G294-S297 PolarHBondContact O-N 3.34Å; G294-S297 PolarHBondContact O-OG 3.23Å
295	K	91.8	Very high	96.4	Very high	168 Å²	168	58.8 Å²	58.8	73%	0.73	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-57.9	-22.8	178.6	-70.6	-174.5	176.1	-179.7	0	114.2	V293 F298 M341	V293-K295 PolarHBondContact O-N 2.64Å; K295-F298 VanDerWaalsContact O-CD1 3.26Å; K295-F298 WeakPolarHBondContact O-CD1 3.46Å; K295-F298 WeakPolarHBondContact O-CE1 3.28Å; K295-M341 HydrophobicContact CB-CE 3.97Å; K295-M341 HydrophobicContact CD-CE 3.86Å; K295-M341 HydrophobicContact CG-CE 3.85Å
296	L	95	Very high	96.4	Very high	34 Å²	34	52.1 Å²	52.1	18%	0.178	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-92.3	-4.7	178.6	-64	177.1	0	0	0	113.8	P148 L258 L292 V293 G294 F298 A299	P148-L296 HydrophobicContact CG-CD2 3.76Å; L258-L296 HydrophobicContact CB-CD1 4.4Å; L258-L296 HydrophobicContact CD2-CD2 4.29Å; L258-L296 WeakPolarHBondContact O-CD1 3.38Å; L292-L296 HydrophobicContact CB-CB 4.28Å; L292-L296 HydrophobicContact CD2-CB 4.12Å; L292-L296 HydrophobicContact CD2-CD1 4.34Å; V293-L296 PolarHBondContact O-N 3.03Å; G294-L296 PolarHBondContact O-N 2.81Å; G294-L296 VanDerWaalsContact O-N 3.13Å; L296-F298 PolarHBondContact O-N 2.88Å; L296-F298 VanDerWaalsContact O-N 3.09Å; L296-A299 VanDerWaalsContact O-CB 3.26Å; L296-A299 WeakPolarHBondContact O-CB 3.46Å; L296-A299 PolarHBondContact O-N 3.15Å
297	S	95.6	Very high	96.5	Very high	41 Å²	41	46.8 Å²	46.8	29%	0.287	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-63	-21	-172	59.4	0	0	0	0	115.4	L292 G294 A299 V300 V344	L292-S297 WeakPolarHBondContact O-CA 3.44Å; L292-S297 PolarHBondContact O-N 2.71Å; G294-S297 WeakPolarHBondContact O-CB 3.31Å; G294-S297 PolarHBondContact O-N 3.34Å; G294-S297 PolarHBondContact O-OG 3.23Å; S297-A299 PolarHBondContact O-N 3.35Å; S297-V300 WeakPolarHBondContact O-CG2 3.1Å; S297-V300 PolarHBondContact O-N 3.08Å; S297-V344 WeakPolarHBondContact OG-CG1 3.46Å; S297-V344 WeakPolarHBondContact OG-CG2 3.36Å
298	F	93.9	Very high	96.5	Very high	21 Å²	21	49.9 Å²	49.9	9%	0.092	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-63.4	-31.2	169.9	73.5	-93.8	0	0	0	112.6	P148 F152 K295 L296 V300 P302 F331 I337 M341	P148-F298 HydrophobicContact CB-CZ 3.77Å; P148-F298 HydrophobicContact CG-CZ 4.01Å; F152-F298 HydrophobicContact CE2-CE2 4.06Å; K295-F298 VanDerWaalsContact O-CD1 3.26Å; K295-F298 WeakPolarHBondContact O-CD1 3.46Å; K295-F298 WeakPolarHBondContact O-CE1 3.28Å; L296-F298 PolarHBondContact O-N 2.88Å; L296-F298 VanDerWaalsContact O-N 3.09Å; F298-V300 VanDerWaalsContact C-N 3.25Å; F298-V300 PolarHBondContact O-N 3.47Å; F298-P302 WeakPolarHBondContact O-CD 3.14Å; F298-F331 AromaticContact CD2-CD1 3.58Å; F298-F331 HydrophobicContact CD2-CD1 3.58Å; F298-F331 AromaticContact CD2-CE1 3.73Å; F298-F331 HydrophobicContact CD2-CE1 3.73Å; F298-F331 AromaticContact CE2-CD1 3.65Å; F298-F331 HydrophobicContact CE2-CD1 3.65Å; F298-F331 HydrophobicContact CE2-CE1 4.27Å; F298-F331 HydrophobicContact CE2-CG 4.33Å; F298-I337 HydrophobicContact CE1-CG2 4.05Å; F298-I337 HydrophobicContact CE2-CG1 3.94Å; F298-I337 HydrophobicContact CZ-CB 4.41Å; F298-I337 HydrophobicContact CZ-CD1 4.45Å; F298-I337 HydrophobicContact CZ-CG1 3.84Å; F298-I337 HydrophobicContact CZ-CG2 3.87Å; F298-M341 HydrophobicContact CD1-CG 3.9Å; F298-M341 HydrophobicContact CE1-CG 3.9Å; F298-M341 HydrophobicContact CE1-SD 4.37Å
299	A	95.9	Very high	96.5	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-74.8	-11.1	-177.3	0	0	0	0	0	113.5	F152 L258 L292 L296 S297 R301 P302 A303	F152-A299 HydrophobicContact CZ-CB 4Å; L258-A299 HydrophobicContact CD1-CB 4.2Å; L292-A299 HydrophobicContact CD1-CB 4.24Å; L292-A299 HydrophobicContact CD2-CB 4.25Å; L296-A299 VanDerWaalsContact O-CB 3.26Å; L296-A299 WeakPolarHBondContact O-CB 3.46Å; L296-A299 PolarHBondContact O-N 3.15Å; S297-A299 PolarHBondContact O-N 3.35Å; A299-R301 VanDerWaalsContact C-N 3.26Å; A299-R301 PolarHBondContact O-N 3.25Å; A299-P302 VanDerWaalsContact O-CD 3.28Å; A299-P302 WeakPolarHBondContact O-CD 3.4Å; A299-P302 WeakPolarHBondContact O-CG 3.07Å; A299-A303 WeakPolarHBondContact O-CB 3.23Å; A299-A303 PolarHBondContact O-N 2.87Å
300	V	97.4	Very high	96.5	Very high	17 Å²	17	46.3 Å²	46.3	10%	0.103	23%	0.233	C	C	.	.	H	α-helix	trans	-55.6	-42.1	175.9	174.3	0	0	0	0	111.1	L288 K289 L292 S297 F298 Q304	L288-V300 HydrophobicContact CB-CG1 4.39Å; K289-V300 HydrophobicContact CG-CG1 4.09Å; K289-V300 HydrophobicContact CG-CG2 4.4Å; L292-V300 HydrophobicContact CB-CG2 3.72Å; L292-V300 HydrophobicContact CD1-CG2 4.35Å; S297-V300 WeakPolarHBondContact O-CG2 3.1Å; S297-V300 PolarHBondContact O-N 3.08Å; F298-V300 VanDerWaalsContact C-N 3.25Å; F298-V300 PolarHBondContact O-N 3.47Å; V300-Q304 WeakPolarHBondContact O-CB 3.39Å; V300-Q304 PolarHBondContact O-N 3.33Å
301	R	96.1	Very high	96.6	Very high	210 Å²	210	41.8 Å²	41.8	79%	0.792	21%	0.213	S	C	*	.	H	α-helix	trans	-68.7	-53	-178.2	-173.8	178.5	-179.5	-176.3	-0.1	113.7	A299 A303 Q304 S305	A299-R301 VanDerWaalsContact C-N 3.26Å; A299-R301 PolarHBondContact O-N 3.25Å; R301-A303 VanDerWaalsContact C-N 3.34Å; R301-A303 PolarHBondContact O-N 2.96Å; R301-Q304 PolarHBondContact O-N 3.13Å; R301-S305 PolarHBondContact O-N 3.34Å
302	P	96.7	Very high	96.7	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-37.8	176.9	24.1	-34.3	0	0	0	112.3	F152 F298 A299 S305 F306 V327 L328 F331	F152-P302 HydrophobicContact CZ-CG 4.46Å; F298-P302 WeakPolarHBondContact O-CD 3.14Å; A299-P302 VanDerWaalsContact O-CD 3.28Å; A299-P302 WeakPolarHBondContact O-CD 3.4Å; A299-P302 WeakPolarHBondContact O-CG 3.07Å; P302-S305 PolarHBondContact O-N 3.16Å; P302-F306 VanDerWaalsContact O-CB 3.27Å; P302-F306 WeakPolarHBondContact O-CB 3.22Å; P302-F306 PolarHBondContact O-N 3Å; P302-V327 HydrophobicContact CB-CG1 3.83Å; P302-V327 WeakPolarHBondContact O-CG1 3.47Å; P302-L328 HydrophobicContact CB-CD2 4.2Å; P302-F331 HydrophobicContact CB-CD2 4.03Å; P302-F331 HydrophobicContact CB-CE2 3.72Å; P302-F331 HydrophobicContact CG-CD2 3.88Å; P302-F331 HydrophobicContact CG-CE2 3.56Å; P302-F331 HydrophobicContact CG-CZ 3.99Å
303	A	98	Very high	96.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-45.6	174.4	0	0	0	0	0	111.7	F254 L255 L288 L292 A299 R301 F306 F307	F254-A303 HydrophobicContact CE2-CB 3.89Å; F254-A303 HydrophobicContact CZ-CB 4.22Å; L255-A303 HydrophobicContact CD2-CB 4.47Å; L288-A303 HydrophobicContact CD1-CB 4.03Å; L288-A303 HydrophobicContact CD2-CB 3.94Å; L292-A303 HydrophobicContact CD1-CB 3.81Å; A299-A303 WeakPolarHBondContact O-CB 3.23Å; A299-A303 PolarHBondContact O-N 2.87Å; R301-A303 VanDerWaalsContact C-N 3.34Å; R301-A303 PolarHBondContact O-N 2.96Å; A303-F306 PolarHBondContact O-N 3.49Å; A303-F307 VanDerWaalsContact O-CD2 3.28Å; A303-F307 WeakPolarHBondContact O-CD2 3.45Å; A303-F307 PolarHBondContact O-N 2.81Å
304	Q	98.2	Very high	96.6	Very high	35 Å²	35	43.2 Å²	43.2	16%	0.164	24%	0.235	C	C	.	.	H	α-helix	trans	-58.4	-52.8	176.9	-176.3	-174.1	-21.2	0	0	110.9	L284 L288 V300 R301 F306 F307 E308	L284-Q304 HydrophobicContact CD2-CG 4.33Å; L288-Q304 HydrophobicContact CD1-CB 3.82Å; V300-Q304 WeakPolarHBondContact O-CB 3.39Å; V300-Q304 PolarHBondContact O-N 3.33Å; R301-Q304 PolarHBondContact O-N 3.13Å; Q304-F306 VanDerWaalsContact C-N 3.3Å; Q304-F306 PolarHBondContact O-N 3.14Å; Q304-F307 PolarHBondContact O-N 3.14Å; Q304-E308 HydrophobicContact CG-CG 4.28Å; Q304-E308 WeakPolarHBondContact CG-OE1 3.3Å; Q304-E308 PolarHBondContact NE2-OE1 3.04Å; Q304-E308 WeakPolarHBondContact O-CB 3.16Å; Q304-E308 VanDerWaalsContact O-CG 3.29Å; Q304-E308 WeakPolarHBondContact O-CG 3.47Å; Q304-E308 PolarHBondContact O-N 3.33Å
305	S	98	Very high	96.5	Very high	34 Å²	34	41.7 Å²	41.7	24%	0.238	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-36.5	-179.3	-167.9	0	0	0	0	113	R301 P302 H309	R301-S305 PolarHBondContact O-N 3.34Å; P302-S305 PolarHBondContact O-N 3.16Å; S305-H309 PolarHBondContact O-N 3.06Å; S305-H309 VanDerWaalsContact O-N 3.12Å
306	F	98.5	Very high	96.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.1	-46.3	177.1	-178.2	-75.8	0	0	0	111.8	L159 V247 L250 F254 P302 A303 Q304 A310 L324 L328	L159-F306 HydrophobicContact CD1-CE2 4.39Å; L159-F306 HydrophobicContact CD2-CE2 4.29Å; V247-F306 HydrophobicContact CG1-CD1 4.3Å; V247-F306 HydrophobicContact CG1-CE1 3.58Å; V247-F306 HydrophobicContact CG1-CE2 4.34Å; V247-F306 HydrophobicContact CG1-CZ 3.59Å; V247-F306 VanDerWaalsContact O-CE1 3.24Å; V247-F306 WeakPolarHBondContact O-CE1 3.22Å; L250-F306 HydrophobicContact CB-CZ 4.3Å; L250-F306 HydrophobicContact CD2-CZ 4.23Å; L250-F306 HydrophobicContact CG-CZ 4.17Å; F254-F306 HydrophobicContact CD1-CE1 4.49Å; F254-F306 HydrophobicContact CD1-CZ 4.46Å; F254-F306 HydrophobicContact CE1-CB 4.4Å; F254-F306 AromaticContact CE1-CD1 3.55Å; F254-F306 HydrophobicContact CE1-CD1 3.55Å; F254-F306 AromaticContact CE1-CD2 3.91Å; F254-F306 HydrophobicContact CE1-CD2 3.91Å; F254-F306 AromaticContact CE1-CE1 3.65Å; F254-F306 HydrophobicContact CE1-CE1 3.65Å; F254-F306 HydrophobicContact CE1-CE2 4Å; F254-F306 AromaticContact CE1-CG 3.69Å; F254-F306 HydrophobicContact CE1-CG 3.69Å; F254-F306 AromaticContact CE1-CZ 3.89Å; F254-F306 HydrophobicContact CE1-CZ 3.89Å; F254-F306 HydrophobicContact CZ-CB 4.26Å; F254-F306 AromaticContact CZ-CD1 3.96Å; F254-F306 HydrophobicContact CZ-CD1 3.96Å; F254-F306 HydrophobicContact CZ-CE1 4.47Å; F254-F306 HydrophobicContact CZ-CG 4.02Å; P302-F306 VanDerWaalsContact O-CB 3.27Å; P302-F306 WeakPolarHBondContact O-CB 3.22Å; P302-F306 PolarHBondContact O-N 3Å; A303-F306 PolarHBondContact O-N 3.49Å; Q304-F306 VanDerWaalsContact C-N 3.3Å; Q304-F306 PolarHBondContact O-N 3.14Å; F306-A310 PolarHBondContact O-N 3.05Å; F306-A310 VanDerWaalsContact O-N 3.13Å; F306-L324 HydrophobicContact CB-CD2 4.45Å; F306-L324 HydrophobicContact CD2-CD2 3.7Å; F306-L324 HydrophobicContact CE2-CD1 4.45Å; F306-L324 HydrophobicContact CE2-CD2 4.1Å; F306-L324 HydrophobicContact CG-CD2 4.07Å; F306-L328 HydrophobicContact CD2-CD1 4.04Å; F306-L328 HydrophobicContact CD2-CD2 4.35Å; F306-L328 HydrophobicContact CD2-CG 4.41Å; F306-L328 HydrophobicContact CE2-CD1 4.12Å
307	F	98.6	Very high	96.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-71.5	-34.9	176.8	-82.2	-69.8	0	0	0	112.8	G251 Y252 F254 L255 L284 A303 Q304 H309 A310 Y311	G251-F307 VanDerWaalsContact CA-CZ 3.47Å; Y252-F307 AromaticContact CD1-CE1 3.7Å; Y252-F307 HydrophobicContact CD1-CE1 3.7Å; Y252-F307 AromaticContact CD1-CZ 3.61Å; Y252-F307 HydrophobicContact CD1-CZ 3.61Å; Y252-F307 HydrophobicContact CE1-CD1 4.5Å; Y252-F307 AromaticContact CE1-CE1 3.44Å; Y252-F307 HydrophobicContact CE1-CE1 3.44Å; Y252-F307 VanDerWaalsContact CE1-CE1 3.44Å; Y252-F307 AromaticContact CE1-CZ 3.78Å; Y252-F307 HydrophobicContact CE1-CZ 3.78Å; F254-F307 HydrophobicContact CZ-CE2 4.3Å; L255-F307 HydrophobicContact CD1-CE2 3.55Å; L255-F307 HydrophobicContact CD1-CZ 3.76Å; L255-F307 HydrophobicContact CG-CE2 4.01Å; L255-F307 HydrophobicContact CG-CZ 4.37Å; L284-F307 HydrophobicContact CD1-CB 3.71Å; L284-F307 HydrophobicContact CD1-CD2 4.12Å; L284-F307 HydrophobicContact CD1-CG 4.01Å; L284-F307 HydrophobicContact CD2-CB 3.63Å; L284-F307 HydrophobicContact CG-CB 4.3Å; A303-F307 VanDerWaalsContact O-CD2 3.28Å; A303-F307 WeakPolarHBondContact O-CD2 3.45Å; A303-F307 PolarHBondContact O-N 2.81Å; Q304-F307 PolarHBondContact O-N 3.14Å; F307-H309 VanDerWaalsContact C-N 3.32Å; F307-H309 PolarHBondContact O-N 2.67Å; F307-A310 PolarHBondContact O-N 3.04Å; F307-Y311 HydrophobicContact CB-CD2 4.21Å; F307-Y311 HydrophobicContact CB-CE2 3.88Å; F307-Y311 HydrophobicContact CD1-CE1 4.34Å; F307-Y311 AromaticContact CD1-CE2 3.98Å; F307-Y311 HydrophobicContact CD1-CE2 3.98Å; F307-Y311 AromaticContact CD1-CZ 3.7Å; F307-Y311 HydrophobicContact CG-CE2 4.27Å; F307-Y311 VanDerWaalsContact O-CB 3.3Å; F307-Y311 WeakPolarHBondContact O-CB 3.44Å; F307-Y311 WeakPolarHBondContact O-CD2 3.28Å; F307-Y311 PolarHBondContact O-N 3.11Å
308	E	98.3	Very high	96.5	Very high	91 Å²	91	41 Å²	41	43%	0.425	22%	0.222	S	C	.	.	H	α-helix	trans	-59.5	-43.5	173.7	-76.8	169.8	163	0	0	111	L284 Q304 Y311 A312	L284-E308 HydrophobicContact CD2-CG 3.78Å; Q304-E308 HydrophobicContact CG-CG 4.28Å; Q304-E308 WeakPolarHBondContact CG-OE1 3.3Å; Q304-E308 PolarHBondContact NE2-OE1 3.04Å; Q304-E308 WeakPolarHBondContact O-CB 3.16Å; Q304-E308 VanDerWaalsContact O-CG 3.29Å; Q304-E308 WeakPolarHBondContact O-CG 3.47Å; Q304-E308 PolarHBondContact O-N 3.33Å; E308-Y311 PolarHBondContact O-N 2.59Å; E308-A312 VanDerWaalsContact O-CB 3.3Å; E308-A312 WeakPolarHBondContact O-CB 3.45Å; E308-A312 PolarHBondContact O-N 3Å
309	H	98.4	Very high	96.7	Very high	46 Å²	46	40.6 Å²	40.6	21%	0.213	22%	0.221	C	C	.	.	H	α-helix	trans	-60.7	-51.9	172	-177.1	80.1	0	0	0	111.9	S305 F307 Y311 A312 L313 D320 H323 L324	S305-H309 PolarHBondContact O-N 3.06Å; S305-H309 VanDerWaalsContact O-N 3.12Å; F307-H309 VanDerWaalsContact C-N 3.32Å; F307-H309 PolarHBondContact O-N 2.67Å; H309-Y311 VanDerWaalsContact C-N 3.25Å; H309-Y311 PolarHBondContact O-N 2.86Å; H309-A312 PolarHBondContact O-N 3.25Å; H309-L313 WeakPolarHBondContact O-CG 3.22Å; H309-L313 PolarHBondContact O-N 3.44Å; H309-D320 WeakPolarHBondContact NE2-CB 3.26Å; H309-D320 PolarHBondContact NE2-N 3.4Å; H309-H323 AromaticContact CE1-CD2 3.65Å; H309-H323 AromaticContact ND1-CD2 3.86Å; H309-L324 HydrophobicContact CB-CD2 3.91Å
310	A	97.9	Very high	96.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.2	-37.7	179.8	0	0	0	0	0	113	V247 F306 F307	V247-A310 HydrophobicContact CB-CB 4.04Å; V247-A310 HydrophobicContact CG1-CB 3.72Å; F306-A310 PolarHBondContact O-N 3.05Å; F306-A310 VanDerWaalsContact O-N 3.13Å; F307-A310 PolarHBondContact O-N 3.04Å
311	Y	98	Very high	96.8	Very high	30 Å²	30	43.8 Å²	43.8	12%	0.118	24%	0.237	C	C	.	.	H	α-helix	trans	-83.9	-19.2	-177.4	-66.4	-28	0	0	0	114.7	I233 E248 Y252 K281 L284 F307 E308 H309	I233-Y311 HydrophobicContact CD1-CE1 4.43Å; E248-Y311 HydrophobicContact CG-CE1 3.92Å; Y252-Y311 PolarHBondContact OH-OH 2.9Å; K281-Y311 HydrophobicContact CB-CD2 4.37Å; K281-Y311 HydrophobicContact CB-CE1 4.3Å; K281-Y311 HydrophobicContact CB-CE2 3.9Å; K281-Y311 HydrophobicContact CD-CD1 3.67Å; K281-Y311 HydrophobicContact CD-CD2 4.26Å; K281-Y311 HydrophobicContact CD-CE1 3.85Å; K281-Y311 HydrophobicContact CD-CE2 4.44Å; K281-Y311 HydrophobicContact CD-CG 3.89Å; K281-Y311 HydrophobicContact CG-CD1 4.11Å; K281-Y311 HydrophobicContact CG-CD2 3.8Å; K281-Y311 HydrophobicContact CG-CE1 4.13Å; K281-Y311 HydrophobicContact CG-CE2 3.85Å; K281-Y311 HydrophobicContact CG-CG 3.94Å; L284-Y311 HydrophobicContact CD1-CE2 4.26Å; L284-Y311 HydrophobicContact CD2-CD2 4.31Å; L284-Y311 HydrophobicContact CD2-CE2 4.3Å; F307-Y311 HydrophobicContact CB-CD2 4.21Å; F307-Y311 HydrophobicContact CB-CE2 3.88Å; F307-Y311 HydrophobicContact CD1-CE1 4.34Å; F307-Y311 AromaticContact CD1-CE2 3.98Å; F307-Y311 HydrophobicContact CD1-CE2 3.98Å; F307-Y311 AromaticContact CD1-CZ 3.7Å; F307-Y311 HydrophobicContact CG-CE2 4.27Å; F307-Y311 VanDerWaalsContact O-CB 3.3Å; F307-Y311 WeakPolarHBondContact O-CB 3.44Å; F307-Y311 WeakPolarHBondContact O-CD2 3.28Å; F307-Y311 PolarHBondContact O-N 3.11Å; E308-Y311 PolarHBondContact O-N 2.59Å; H309-Y311 VanDerWaalsContact C-N 3.25Å; H309-Y311 PolarHBondContact O-N 2.86Å
312	A	97.5	Very high	96.8	Very high	84 Å²	84	36 Å²	36	69%	0.694	21%	0.211	S	C	*	.	H	α-helix	trans	-79.8	-23.8	175.8	0	0	0	0	0	113.5	E308 H309	E308-A312 VanDerWaalsContact O-CB 3.3Å; E308-A312 WeakPolarHBondContact O-CB 3.45Å; E308-A312 PolarHBondContact O-N 3Å; H309-A312 PolarHBondContact O-N 3.25Å
313	L	96.8	Very high	96.8	Very high	15 Å²	15	38.5 Å²	38.5	8%	0.079	22%	0.223	C	C	.	.			trans	-67.2	136.1	-178.6	-70.4	166.8	0	0	0	112.9	R244 H309 D317 P318 V319	R244-L313 HydrophobicContact CB-CB 3.78Å; R244-L313 HydrophobicContact CB-CD1 3.94Å; R244-L313 WeakPolarHBondContact CD-O 3.05Å; R244-L313 PolarHBondContact NH1-O 3.15Å; H309-L313 WeakPolarHBondContact O-CG 3.22Å; H309-L313 PolarHBondContact O-N 3.44Å; L313-D317 HydrophobicContact CB-CB 4.38Å; L313-D317 HydrophobicContact CD2-CB 3.77Å; L313-P318 WeakPolarHBondContact CD2-O 3.26Å; L313-V319 HydrophobicContact CD1-CB 4.48Å; L313-V319 HydrophobicContact CD1-CG2 3.73Å
314	G	94.2	Very high	96.8	Very high	24 Å²	24	38.5 Å²	38.5	25%	0.247	22%	0.223	C	C	.	.			trans	-65.2	171.2	160	0	0	0	0	0	112.8	T316 D317	G314-T316 VanDerWaalsContact C-N 3.28Å; G314-T316 PolarHBondContact O-N 3.09Å; G314-D317 WeakPolarHBondContact CA-OD1 3.25Å; G314-D317 VanDerWaalsContact CA-OD2 3.27Å; G314-D317 WeakPolarHBondContact CA-OD2 3.03Å; G314-D317 PolarHBondContact N-OD2 3Å; G314-D317 PolarHBondContact O-N 2.79Å
315	Y	91.3	Very high	96.8	Very high	22 Å²	22	37.1 Å²	37.1	9%	0.086	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-25	-169.3	-177.8	-109	0	0	0	114.3	A214 T215 Y216 A239 S240	A214-Y315 HydrophobicContact CB-CE1 4.27Å; T215-Y315 WeakPolarHBondContact O-CE1 3.43Å; Y216-Y315 AromaticContact CD2-CD2 3.73Å; Y216-Y315 HydrophobicContact CD2-CD2 3.73Å; Y216-Y315 AromaticContact CD2-CE2 3.84Å; Y216-Y315 HydrophobicContact CD2-CE2 3.84Å; Y216-Y315 HydrophobicContact CD2-CG 4.46Å; Y216-Y315 HydrophobicContact CG-CD2 4.41Å; A239-Y315 HydrophobicContact CB-CE2 4.14Å; S240-Y315 WeakPolarHBondContact CB-OH 3.2Å; S240-Y315 PolarHBondContact N-OH 2.89Å; S240-Y315 PolarHBondContact O-OH 3.41Å; S240-Y315 VanDerWaalsContact O-OH 3.09Å
316	T	92.1	Very high	96.7	Very high	52 Å²	52	38.5 Å²	38.5	32%	0.319	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	2.6	-178.7	45.9	0	0	0	0	113.7	V210 A214 G314	V210-T316 HydrophobicContact CG1-CG2 4.25Å; A214-T316 HydrophobicContact CB-CG2 3.9Å; A214-T316 WeakPolarHBondContact O-CG2 3.45Å; G314-T316 VanDerWaalsContact C-N 3.28Å; G314-T316 PolarHBondContact O-N 3.09Å
317	D	95	Very high	96.6	Very high	66 Å²	66	39.5 Å²	39.5	35%	0.353	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-71.1	144	-167.7	-63	19	0	0	0	111	L313 G314 V319	L313-D317 HydrophobicContact CB-CB 4.38Å; L313-D317 HydrophobicContact CD2-CB 3.77Å; G314-D317 WeakPolarHBondContact CA-OD1 3.25Å; G314-D317 VanDerWaalsContact CA-OD2 3.27Å; G314-D317 WeakPolarHBondContact CA-OD2 3.03Å; G314-D317 PolarHBondContact N-OD2 3Å; G314-D317 PolarHBondContact O-N 2.79Å; D317-V319 PolarHBondContact O-N 3.38Å
318	P	95.5	Very high	96.5	Very high	109 Å²	109	39.5 Å²	39.5	71%	0.708	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-68.6	131.1	176.7	29.4	-33.9	0	0	0	110.5	L313	L313-P318 WeakPolarHBondContact CD2-O 3.26Å
319	V	97.9	Very high	96.3	Very high	13 Å²	13	38.3 Å²	38.3	8%	0.079	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-72.8	133.1	173.7	172.5	0	0	0	0	109.7	F243 V247 L313 D317 F321 L324	F243-V319 HydrophobicContact CB-CG2 4Å; V247-V319 HydrophobicContact CG2-CB 4.3Å; V247-V319 HydrophobicContact CG2-CG1 3.66Å; V247-V319 HydrophobicContact CG2-CG2 3.6Å; L313-V319 HydrophobicContact CD1-CB 4.48Å; L313-V319 HydrophobicContact CD1-CG2 3.73Å; D317-V319 PolarHBondContact O-N 3.38Å; V319-F321 HydrophobicContact CB-CD2 3.99Å; V319-F321 HydrophobicContact CB-CE1 4.46Å; V319-F321 HydrophobicContact CB-CE2 3.56Å; V319-F321 HydrophobicContact CB-CZ 3.83Å; V319-F321 HydrophobicContact CG1-CD1 4.04Å; V319-F321 HydrophobicContact CG1-CD2 3.92Å; V319-F321 HydrophobicContact CG1-CE1 3.88Å; V319-F321 HydrophobicContact CG1-CE2 3.78Å; V319-F321 HydrophobicContact CG1-CG 4.06Å; V319-F321 HydrophobicContact CG1-CZ 3.76Å; V319-F321 HydrophobicContact CG2-CE2 4.5Å; V319-F321 HydrophobicContact CG2-CZ 4.44Å; V319-F321 VanDerWaalsContact O-CD2 3.28Å; V319-F321 WeakPolarHBondContact O-CD2 3.19Å; V319-F321 PolarHBondContact O-N 3.25Å; V319-F321 VanDerWaalsContact O-N 3.09Å; V319-L324 HydrophobicContact CG1-CD1 3.51Å
320	D	97.9	Very high	96	Very high	73 Å²	73	39.1 Å²	39.1	39%	0.39	24%	0.235	S	C	.	.			trans	-82.8	85.6	171.2	-172	-14	0	0	0	109.9	H309 D322 H323 L324	H309-D320 WeakPolarHBondContact NE2-CB 3.26Å; H309-D320 PolarHBondContact NE2-N 3.4Å; D320-D322 VanDerWaalsContact C-N 3.26Å; D320-D322 PolarHBondContact O-N 3.29Å; D320-D322 PolarHBondContact OD1-N 3.11Å; D320-D322 VanDerWaalsContact OD1-N 3.1Å; D320-H323 HydrophobicContact CB-CB 3.91Å; D320-H323 PolarHBondContact O-N 3.09Å; D320-H323 PolarHBondContact OD1-N 2.85Å; D320-H323 WeakPolarHBondContact OD2-CB 3.39Å; D320-L324 WeakPolarHBondContact O-CG 3.42Å; D320-L324 PolarHBondContact O-N 3.48Å
321	F	98	Very high	95.7	Very high	12 Å²	12	40.6 Å²	40.6	5%	0.053	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-25.9	178.1	-71.7	-78.9	0	0	0	113.6	L159 L162 Q163 H166 V319 R325	L159-F321 HydrophobicContact CB-CD1 4.21Å; L159-F321 HydrophobicContact CD2-CD1 3.93Å; L159-F321 HydrophobicContact CD2-CE1 4.06Å; L159-F321 WeakPolarHBondContact O-CD1 3.26Å; L162-F321 HydrophobicContact CB-CE1 3.75Å; L162-F321 HydrophobicContact CB-CZ 4.03Å; Q163-F321 HydrophobicContact CB-CB 4.3Å; Q163-F321 HydrophobicContact CB-CD1 3.86Å; Q163-F321 HydrophobicContact CB-CD2 3.7Å; Q163-F321 HydrophobicContact CB-CE1 4.05Å; Q163-F321 HydrophobicContact CB-CE2 3.87Å; Q163-F321 HydrophobicContact CB-CG 3.68Å; Q163-F321 HydrophobicContact CB-CZ 4.04Å; Q163-F321 HydrophobicContact CG-CB 4.16Å; Q163-F321 HydrophobicContact CG-CD2 3.58Å; Q163-F321 HydrophobicContact CG-CE2 4.06Å; Q163-F321 HydrophobicContact CG-CG 3.84Å; H166-F321 HydrophobicContact CB-CE2 4.14Å; H166-F321 HydrophobicContact CB-CZ 4.31Å; H166-F321 AromaticContact CE1-CZ 3.91Å; H166-F321 AromaticContact CG-CZ 3.92Å; H166-F321 AromaticContact ND1-CE2 3.78Å; H166-F321 AromaticContact ND1-CZ 3.43Å; H166-F321 WeakPolarHBondContact ND1-CZ 3.36Å; V319-F321 HydrophobicContact CB-CD2 3.99Å; V319-F321 HydrophobicContact CB-CE1 4.46Å; V319-F321 HydrophobicContact CB-CE2 3.56Å; V319-F321 HydrophobicContact CB-CZ 3.83Å; V319-F321 HydrophobicContact CG1-CD1 4.04Å; V319-F321 HydrophobicContact CG1-CD2 3.92Å; V319-F321 HydrophobicContact CG1-CE1 3.88Å; V319-F321 HydrophobicContact CG1-CE2 3.78Å; V319-F321 HydrophobicContact CG1-CG 4.06Å; V319-F321 HydrophobicContact CG1-CZ 3.76Å; V319-F321 HydrophobicContact CG2-CE2 4.5Å; V319-F321 HydrophobicContact CG2-CZ 4.44Å; V319-F321 VanDerWaalsContact O-CD2 3.28Å; V319-F321 WeakPolarHBondContact O-CD2 3.19Å; V319-F321 PolarHBondContact O-N 3.25Å; V319-F321 VanDerWaalsContact O-N 3.09Å; F321-R325 VanDerWaalsContact O-CB 3.3Å; F321-R325 WeakPolarHBondContact O-CB 3.26Å; F321-R325 VanDerWaalsContact O-CG 3.26Å; F321-R325 WeakPolarHBondContact O-CG 3.28Å; F321-R325 PolarHBondContact O-N 2.93Å; F321-R325 PolarHBondContact O-NE 3Å
322	D	96.5	Very high	95.3	Very high	45 Å²	45	39.3 Å²	39.3	24%	0.241	24%	0.237	C	C	.	.	H	α-helix	trans	-76.4	-41.8	177.6	-74.2	-43.2	0	0	0	110.6	D320 R325 S326	D320-D322 VanDerWaalsContact C-N 3.26Å; D320-D322 PolarHBondContact O-N 3.29Å; D320-D322 PolarHBondContact OD1-N 3.11Å; D320-D322 VanDerWaalsContact OD1-N 3.1Å; D322-R325 PolarHBondContact O-N 3.21Å; D322-R325 IonicContact OD1-CZ 3.54Å; D322-R325 IonicContact OD1-NH1 3.72Å; D322-R325 PolarHBondContact OD1-NH1 3.09Å; D322-R325 IonicContact OD1-NH2 3.78Å; D322-R325 PolarHBondContact OD1-NH2 3.14Å; D322-S326 WeakPolarHBondContact O-CB 3.4Å; D322-S326 PolarHBondContact O-N 2.98Å; D322-S326 PolarHBondContact O-OG 2.95Å
323	H	97.2	Very high	94.6	Very high	58 Å²	58	38.9 Å²	38.9	27%	0.269	23%	0.226	S	C	.	.	H	α-helix	trans	-56	-55.6	167.9	174.9	64.8	0	0	0	111.1	H309 D320 R325 S326 V327	H309-H323 AromaticContact CE1-CD2 3.65Å; H309-H323 AromaticContact ND1-CD2 3.86Å; D320-H323 HydrophobicContact CB-CB 3.91Å; D320-H323 PolarHBondContact O-N 3.09Å; D320-H323 PolarHBondContact OD1-N 2.85Å; D320-H323 WeakPolarHBondContact OD2-CB 3.39Å; H323-R325 VanDerWaalsContact C-N 3.29Å; H323-R325 PolarHBondContact O-N 2.68Å; H323-S326 PolarHBondContact O-N 3.18Å; H323-S326 VanDerWaalsContact O-N 3.08Å; H323-S326 PolarHBondContact O-OG 2.87Å; H323-V327 WeakPolarHBondContact O-CG2 3.42Å; H323-V327 PolarHBondContact O-N 3.26Å
324	L	98.1	Very high	93.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.6	-39.8	-179.5	-69.2	178.9	0	0	0	112.5	L159 V247 F306 H309 V319 D320 L328	L159-L324 HydrophobicContact CD1-CB 3.81Å; L159-L324 HydrophobicContact CD2-CB 4.24Å; L159-L324 HydrophobicContact CD2-CD1 3.82Å; V247-L324 HydrophobicContact CG1-CD1 3.68Å; V247-L324 HydrophobicContact CG1-CD2 4.44Å; V247-L324 HydrophobicContact CG2-CD1 4.13Å; F306-L324 HydrophobicContact CB-CD2 4.45Å; F306-L324 HydrophobicContact CD2-CD2 3.7Å; F306-L324 HydrophobicContact CE2-CD1 4.45Å; F306-L324 HydrophobicContact CE2-CD2 4.1Å; F306-L324 HydrophobicContact CG-CD2 4.07Å; H309-L324 HydrophobicContact CB-CD2 3.91Å; V319-L324 HydrophobicContact CG1-CD1 3.51Å; D320-L324 WeakPolarHBondContact O-CG 3.42Å; D320-L324 PolarHBondContact O-N 3.48Å; L324-L328 WeakPolarHBondContact O-CG 3.36Å
325	R	97.6	Very high	92.9	Very high	5 Å²	5	47.8 Å²	47.8	2%	0.019	26%	0.262	C	S	.	.	H	α-helix	trans	-67.5	-42.2	175.3	-75.5	-171.2	-90.8	88.2	2.2	111.9	I156 L159 N160 F321 D322 H323 V327 L328 E329 L425	I156-R325 HydrophobicContact CG1-CG 4.32Å; I156-R325 HydrophobicContact CG2-CG 4.17Å; L159-R325 HydrophobicContact CB-CG 4.23Å; L159-R325 HydrophobicContact CD1-CG 3.82Å; N160-R325 VanDerWaalsContact OD1-CD 3.24Å; N160-R325 WeakPolarHBondContact OD1-CD 3.34Å; N160-R325 PolarHBondContact OD1-NE 3.34Å; F321-R325 VanDerWaalsContact O-CB 3.3Å; F321-R325 WeakPolarHBondContact O-CB 3.26Å; F321-R325 VanDerWaalsContact O-CG 3.26Å; F321-R325 WeakPolarHBondContact O-CG 3.28Å; F321-R325 PolarHBondContact O-N 2.93Å; F321-R325 PolarHBondContact O-NE 3Å; D322-R325 PolarHBondContact O-N 3.21Å; D322-R325 IonicContact OD1-CZ 3.54Å; D322-R325 IonicContact OD1-NH1 3.72Å; D322-R325 PolarHBondContact OD1-NH1 3.09Å; D322-R325 IonicContact OD1-NH2 3.78Å; D322-R325 PolarHBondContact OD1-NH2 3.14Å; H323-R325 VanDerWaalsContact C-N 3.29Å; H323-R325 PolarHBondContact O-N 2.68Å; R325-V327 VanDerWaalsContact C-N 3.31Å; R325-V327 PolarHBondContact O-N 3.33Å; R325-L328 PolarHBondContact O-N 2.66Å; R325-E329 WeakPolarHBondContact O-CB 3.12Å; R325-E329 PolarHBondContact O-N 2.86Å; R325-L425 HydrophobicContact CB-CD1 3.99Å
326	S	96.3	Very high	92.1	Very high	64 Å²	64	49.8 Å²	49.8	45%	0.448	27%	0.273	S	S	.	.	H	α-helix	trans	-64.4	-30.4	177.2	74	0	0	0	0	114.2	D322 H323 L328 P330	D322-S326 WeakPolarHBondContact O-CB 3.4Å; D322-S326 PolarHBondContact O-N 2.98Å; D322-S326 PolarHBondContact O-OG 2.95Å; H323-S326 PolarHBondContact O-N 3.18Å; H323-S326 VanDerWaalsContact O-N 3.08Å; H323-S326 PolarHBondContact O-OG 2.87Å; S326-L328 VanDerWaalsContact C-N 3.32Å; S326-P330 VanDerWaalsContact O-CD 3.23Å; S326-P330 WeakPolarHBondContact O-CD 3.4Å
327	V	96.3	Very high	91.3	Very high	20 Å²	20	47.9 Å²	47.9	12%	0.121	26%	0.26	C	S	.	.	H	α-helix	trans	-67	-34.2	175.5	168.6	0	0	0	0	111.6	P302 H323 R325	P302-V327 HydrophobicContact CB-CG1 3.83Å; P302-V327 WeakPolarHBondContact O-CG1 3.47Å; H323-V327 WeakPolarHBondContact O-CG2 3.42Å; H323-V327 PolarHBondContact O-N 3.26Å; R325-V327 VanDerWaalsContact C-N 3.31Å; R325-V327 PolarHBondContact O-N 3.33Å
328	L	95.8	Very high	90.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-96.2	-29.3	-175.9	-55.6	-176.9	0	0	0	113.4	F152 A155 I156 L159 P302 F306 L324 R325 S326 P330 F331	F152-L328 HydrophobicContact CD1-CB 4.32Å; F152-L328 HydrophobicContact CD1-CD2 3.84Å; F152-L328 HydrophobicContact CD1-CG 4.5Å; F152-L328 HydrophobicContact CE1-CD2 4.03Å; A155-L328 HydrophobicContact CB-CD1 3.84Å; I156-L328 HydrophobicContact CD1-CB 4Å; I156-L328 HydrophobicContact CG1-CB 4.04Å; I156-L328 HydrophobicContact CG1-CD1 4.43Å; L159-L328 HydrophobicContact CD1-CD1 4.18Å; P302-L328 HydrophobicContact CB-CD2 4.2Å; F306-L328 HydrophobicContact CD2-CD1 4.04Å; F306-L328 HydrophobicContact CD2-CD2 4.35Å; F306-L328 HydrophobicContact CD2-CG 4.41Å; F306-L328 HydrophobicContact CE2-CD1 4.12Å; L324-L328 WeakPolarHBondContact O-CG 3.36Å; R325-L328 PolarHBondContact O-N 2.66Å; S326-L328 VanDerWaalsContact C-N 3.32Å; L328-P330 VanDerWaalsContact C-CD 3.49Å; L328-F331 PolarHBondContact O-N 2.79Å; L328-F331 VanDerWaalsContact O-N 3.16Å
329	E	93.6	Very high	89.8	Confident	67 Å²	67	50.2 Å²	50.2	31%	0.313	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-50.2	-47.7	-175.3	172.4	174	-158.8	0	0	114.5	I156 R325 F331 T332 L425	I156-E329 HydrophobicContact CD1-CB 4.44Å; R325-E329 WeakPolarHBondContact O-CB 3.12Å; R325-E329 PolarHBondContact O-N 2.86Å; E329-F331 PolarHBondContact O-N 2.82Å; E329-T332 WeakPolarHBondContact O-CB 3.47Å; E329-T332 WeakPolarHBondContact O-CG2 3.5Å; E329-T332 PolarHBondContact O-N 2.77Å; E329-T332 PolarHBondContact O-OG1 2.71Å; E329-L425 HydrophobicContact CB-CD2 4.29Å; E329-L425 VanDerWaalsContact CD-CG 3.48Å; E329-L425 HydrophobicContact CG-CD2 3.82Å; E329-L425 HydrophobicContact CG-CG 4.36Å; E329-L425 VanDerWaalsContact OE1-CD2 3.28Å; E329-L425 WeakPolarHBondContact OE1-CD2 3.39Å; E329-L425 WeakPolarHBondContact OE1-CG 3.41Å; E329-L425 WeakPolarHBondContact OE2-CG 3.19Å
330	P	92.1	Very high	89	Confident	62 Å²	62	50.6 Å²	50.6	40%	0.403	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-55.2	-33.9	-177	-27.8	35.9	0	0	0	113	S326 L328 T332 E336	S326-P330 VanDerWaalsContact O-CD 3.23Å; S326-P330 WeakPolarHBondContact O-CD 3.4Å; L328-P330 VanDerWaalsContact C-CD 3.49Å; P330-T332 VanDerWaalsContact C-N 3.28Å; P330-T332 PolarHBondContact O-N 3.23Å; P330-E336 WeakPolarHBondContact O-CB 3.42Å
331	F	91.8	Very high	88.2	Confident	31 Å²	31	49.7 Å²	49.7	14%	0.136	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-86.1	6.8	-176.5	-50.6	-76.6	0	0	0	113.3	F149 F152 F298 P302 L328 E329 I337	F149-F331 WeakPolarHBondContact CA-O 3.43Å; F152-F331 HydrophobicContact CB-CB 4.45Å; F152-F331 HydrophobicContact CD2-CB 3.25Å; F152-F331 HydrophobicContact CD2-CG 4.33Å; F152-F331 HydrophobicContact CE2-CB 3.52Å; F152-F331 HydrophobicContact CE2-CG 4.2Å; F152-F331 HydrophobicContact CG-CB 3.87Å; F152-F331 HydrophobicContact CZ-CB 4.32Å; F298-F331 AromaticContact CD2-CD1 3.58Å; F298-F331 HydrophobicContact CD2-CD1 3.58Å; F298-F331 AromaticContact CD2-CE1 3.73Å; F298-F331 HydrophobicContact CD2-CE1 3.73Å; F298-F331 AromaticContact CE2-CD1 3.65Å; F298-F331 HydrophobicContact CE2-CD1 3.65Å; F298-F331 HydrophobicContact CE2-CE1 4.27Å; F298-F331 HydrophobicContact CE2-CG 4.33Å; P302-F331 HydrophobicContact CB-CD2 4.03Å; P302-F331 HydrophobicContact CB-CE2 3.72Å; P302-F331 HydrophobicContact CG-CD2 3.88Å; P302-F331 HydrophobicContact CG-CE2 3.56Å; P302-F331 HydrophobicContact CG-CZ 3.99Å; L328-F331 PolarHBondContact O-N 2.79Å; L328-F331 VanDerWaalsContact O-N 3.16Å; E329-F331 PolarHBondContact O-N 2.82Å; F331-I337 HydrophobicContact CB-CG1 4.4Å; F331-I337 WeakPolarHBondContact O-CD1 3.2Å
332	T	89	Confident	87.3	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.018	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-85.6	-8.8	177	64.2	0	0	0	0	113.7	F152 K153 I156 E329 P330 F428	F152-T332 HydrophobicContact CB-CG2 4.01Å; K153-T332 WeakPolarHBondContact CE-O 3.49Å; K153-T332 HydrophobicContact CG-CG2 3.84Å; I156-T332 HydrophobicContact CD1-CG2 3.67Å; E329-T332 WeakPolarHBondContact O-CB 3.47Å; E329-T332 WeakPolarHBondContact O-CG2 3.5Å; E329-T332 PolarHBondContact O-N 2.77Å; E329-T332 PolarHBondContact O-OG1 2.71Å; P330-T332 VanDerWaalsContact C-N 3.28Å; P330-T332 PolarHBondContact O-N 3.23Å; T332-F428 HydrophobicContact CG2-CE1 4.29Å; T332-F428 HydrophobicContact CG2-CZ 3.74Å; T332-F428 WeakPolarHBondContact OG1-CE1 3.47Å; T332-F428 WeakPolarHBondContact OG1-CZ 3.2Å
333	V	83.2	Confident	86.2	Confident	76 Å²	76	58 Å²	58	46%	0.461	29%	0.285	S	S	.	.	S	Bend	trans	-107.3	122.3	-179.3	-178.7	0	0	0	0	109.5	K335 E336 I337	V333-K335 HydrophobicContact CG1-CB 4.32Å; V333-K335 PolarHBondContact O-N 3.43Å; V333-K335 VanDerWaalsContact O-N 3.13Å; V333-E336 HydrophobicContact CB-CB 4.48Å; V333-E336 PolarHBondContact O-N 2.94Å; V333-I337 PolarHBondContact O-N 3.32Å
334	V	80	Confident	84.9	Confident	67 Å²	67	57.4 Å²	57.4	41%	0.406	29%	0.285	S	S	.	.	H	α-helix	trans	-48.3	-46	-177.7	-175.7	0	0	0	0	112	F149 E336 I337 E338	F149-V334 HydrophobicContact CB-CG2 4.38Å; F149-V334 HydrophobicContact CD1-CG2 3.78Å; F149-V334 HydrophobicContact CD2-CG2 4.24Å; F149-V334 HydrophobicContact CE1-CG2 4.12Å; F149-V334 HydrophobicContact CG-CG2 3.85Å; V334-E336 VanDerWaalsContact C-N 3.29Å; V334-E336 PolarHBondContact O-N 2.78Å; V334-I337 PolarHBondContact O-N 3.31Å; V334-E338 HydrophobicContact CG1-CG 4.28Å; V334-E338 WeakPolarHBondContact O-CG 3.27Å; V334-E338 PolarHBondContact O-N 3.19Å
335	K	75.3	Confident	83.4	Confident	158 Å²	158	60.2 Å²	60.2	69%	0.687	31%	0.305	S	S	*	.	H	α-helix	trans	-59.6	-33	179.3	-65.6	-167.3	173.9	-166.3	0	114.6	V333 R339	V333-K335 HydrophobicContact CG1-CB 4.32Å; V333-K335 PolarHBondContact O-N 3.43Å; V333-K335 VanDerWaalsContact O-N 3.13Å; K335-R339 WeakPolarHBondContact O-CB 3.29Å; K335-R339 PolarHBondContact O-N 3.4Å
336	E	74.7	Confident	81.8	Confident	65 Å²	65	62.9 Å²	62.9	30%	0.304	32%	0.324	S	S	.	.	H	α-helix	trans	-80.6	-28.9	-178.5	-156.8	60.5	-159	0	0	111.3	P330 V333 V334 R339 S340	P330-E336 WeakPolarHBondContact O-CB 3.42Å; V333-E336 HydrophobicContact CB-CB 4.48Å; V333-E336 PolarHBondContact O-N 2.94Å; V334-E336 VanDerWaalsContact C-N 3.29Å; V334-E336 PolarHBondContact O-N 2.78Å; E336-R339 WeakPolarHBondContact OE1-CD 3.39Å; E336-R339 IonicContact OE1-CZ 3.7Å; E336-R339 IonicContact OE1-NE 2.64Å; E336-R339 IonicContact OE1-NH1 2.69Å; E336-R339 PolarHBondContact OE1-NH1 2.84Å; E336-R339 IonicContact OE2-NH1 2.71Å; E336-S340 VanDerWaalsContact O-CB 3.28Å; E336-S340 WeakPolarHBondContact O-CB 3.34Å; E336-S340 PolarHBondContact O-N 2.84Å; E336-S340 PolarHBondContact O-OG 3.27Å
337	I	76	Confident	80	Confident	12 Å²	12	69.4 Å²	69.4	6%	0.062	34%	0.339	C	S	.	.	H	α-helix	trans	-68.8	-47.6	165.6	-74.7	160.8	0	0	0	110.8	P148 F149 F298 F331 V333 V334 R339 S340 M341	P148-I337 HydrophobicContact CB-CD1 3.86Å; F149-I337 HydrophobicContact CB-CD1 3.59Å; F298-I337 HydrophobicContact CE1-CG2 4.05Å; F298-I337 HydrophobicContact CE2-CG1 3.94Å; F298-I337 HydrophobicContact CZ-CB 4.41Å; F298-I337 HydrophobicContact CZ-CD1 4.45Å; F298-I337 HydrophobicContact CZ-CG1 3.84Å; F298-I337 HydrophobicContact CZ-CG2 3.87Å; F331-I337 HydrophobicContact CB-CG1 4.4Å; F331-I337 WeakPolarHBondContact O-CD1 3.2Å; V333-I337 PolarHBondContact O-N 3.32Å; V334-I337 PolarHBondContact O-N 3.31Å; I337-R339 PolarHBondContact O-N 2.83Å; I337-S340 PolarHBondContact O-N 3.38Å; I337-S340 VanDerWaalsContact O-N 3.14Å; I337-M341 HydrophobicContact CG2-CG 4.13Å; I337-M341 HydrophobicContact CG2-SD 3.47Å; I337-M341 WeakPolarHBondContact CG2-SD 3.48Å; I337-M341 WeakPolarHBondContact O-CB 3.42Å; I337-M341 VanDerWaalsContact O-CG 3.25Å; I337-M341 WeakPolarHBondContact O-CG 3.39Å; I337-M341 PolarHBondContact O-N 2.84Å
338	E	80.4	Confident	78	Confident	94 Å²	94	71.6 Å²	71.6	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-56.9	-35.1	175.1	-71.3	169.5	173	0	0	112.3	V334 R342	V334-E338 HydrophobicContact CG1-CG 4.28Å; V334-E338 WeakPolarHBondContact O-CG 3.27Å; V334-E338 PolarHBondContact O-N 3.19Å; E338-R342 WeakPolarHBondContact O-CG 3.42Å; E338-R342 PolarHBondContact O-N 3.49Å; E338-R342 PolarHBondContact O-NE 2.79Å
339	R	79.1	Confident	75.7	Confident	130 Å²	130	77.6 Å²	77.6	49%	0.491	39%	0.387	S	S	.	.	H	α-helix	trans	-68.4	-56.2	171.6	177.2	-176	173.5	-168.6	7.7	110.8	K335 E336 I337 M341 R342 D343	K335-R339 WeakPolarHBondContact O-CB 3.29Å; K335-R339 PolarHBondContact O-N 3.4Å; E336-R339 WeakPolarHBondContact OE1-CD 3.39Å; E336-R339 IonicContact OE1-CZ 3.7Å; E336-R339 IonicContact OE1-NE 2.64Å; E336-R339 IonicContact OE1-NH1 2.69Å; E336-R339 PolarHBondContact OE1-NH1 2.84Å; E336-R339 IonicContact OE2-NH1 2.71Å; I337-R339 PolarHBondContact O-N 2.83Å; R339-M341 PolarHBondContact O-N 3.11Å; R339-M341 VanDerWaalsContact O-N 3.16Å; R339-R342 WeakPolarHBondContact O-CA 3.4Å; R339-R342 PolarHBondContact O-N 3.4Å; R339-D343 PolarHBondContact O-N 3.41Å
340	S	80.3	Confident	73.6	Confident	20 Å²	20	83.1 Å²	83.1	14%	0.14	41%	0.41	C	S	.	.	H	α-helix	trans	-54.7	-36.3	179.7	-61	0	0	0	0	113	E336 I337 V344	E336-S340 VanDerWaalsContact O-CB 3.28Å; E336-S340 WeakPolarHBondContact O-CB 3.34Å; E336-S340 PolarHBondContact O-N 2.84Å; E336-S340 PolarHBondContact O-OG 3.27Å; I337-S340 PolarHBondContact O-N 3.38Å; I337-S340 VanDerWaalsContact O-N 3.14Å; S340-V344 WeakPolarHBondContact O-CG2 3.37Å; S340-V344 PolarHBondContact O-N 2.87Å
341	M	80.7	Confident	71.2	Confident	55 Å²	55	83.9 Å²	83.9	27%	0.271	42%	0.422	S	S	.	.	H	α-helix	trans	-71.7	-35.1	176	-71	172.2	60	0	0	112.8	K295 F298 I337 R339 V344 S345	K295-M341 HydrophobicContact CB-CE 3.97Å; K295-M341 HydrophobicContact CD-CE 3.86Å; K295-M341 HydrophobicContact CG-CE 3.85Å; F298-M341 HydrophobicContact CD1-CG 3.9Å; F298-M341 HydrophobicContact CE1-CG 3.9Å; F298-M341 HydrophobicContact CE1-SD 4.37Å; I337-M341 HydrophobicContact CG2-CG 4.13Å; I337-M341 HydrophobicContact CG2-SD 3.47Å; I337-M341 WeakPolarHBondContact CG2-SD 3.48Å; I337-M341 WeakPolarHBondContact O-CB 3.42Å; I337-M341 VanDerWaalsContact O-CG 3.25Å; I337-M341 WeakPolarHBondContact O-CG 3.39Å; I337-M341 PolarHBondContact O-N 2.84Å; R339-M341 PolarHBondContact O-N 3.11Å; R339-M341 VanDerWaalsContact O-N 3.16Å; M341-V344 WeakPolarHBondContact O-CB 3.4Å; M341-V344 PolarHBondContact O-N 3.1Å; M341-S345 PolarHBondContact O-N 3.4Å; M341-S345 VanDerWaalsContact O-N 3.08Å
342	R	78.7	Confident	68.6	Low	154 Å²	154	88.4 Å²	88.4	58%	0.581	45%	0.452	S	S	*	.	H	α-helix	trans	-71.9	-36.3	173.1	-78.8	176.4	-74.9	179.9	-5.8	112.3	E338 R339 V344 S345 S346	E338-R342 WeakPolarHBondContact O-CG 3.42Å; E338-R342 PolarHBondContact O-N 3.49Å; E338-R342 PolarHBondContact O-NE 2.79Å; R339-R342 WeakPolarHBondContact O-CA 3.4Å; R339-R342 PolarHBondContact O-N 3.4Å; R342-V344 PolarHBondContact O-N 3.06Å; R342-S345 PolarHBondContact O-N 3.11Å; R342-S346 WeakPolarHBondContact O-CB 3.28Å; R342-S346 PolarHBondContact O-N 3.16Å; R342-S346 PolarHBondContact O-OG 3.3Å
343	D	75.1	Confident	66	Low	78 Å²	78	94.7 Å²	94.7	42%	0.417	49%	0.49	S	S	.	.	H	α-helix	trans	-65.8	-22.4	173.2	-66.7	-19.4	0	0	0	112.1	R339 S346 R347	R339-D343 PolarHBondContact O-N 3.41Å; D343-S346 PolarHBondContact O-OG 3.02Å; D343-R347 VanDerWaalsContact O-CD 3.28Å; D343-R347 WeakPolarHBondContact O-CD 3.3Å; D343-R347 VanDerWaalsContact O-CG 3.32Å; D343-R347 WeakPolarHBondContact O-CG 3.39Å; D343-R347 PolarHBondContact O-NE 3.28Å
344	V	70	Confident	64	Low	44 Å²	44	98.2 Å²	98.2	27%	0.267	51%	0.505	S	S	.	.	H	α-helix	trans	-77.4	-52.8	168.1	165.3	0	0	0	0	111.7	S297 S340 M341 R342 S346 R347 S348	S297-V344 WeakPolarHBondContact OG-CG1 3.46Å; S297-V344 WeakPolarHBondContact OG-CG2 3.36Å; S340-V344 WeakPolarHBondContact O-CG2 3.37Å; S340-V344 PolarHBondContact O-N 2.87Å; M341-V344 WeakPolarHBondContact O-CB 3.4Å; M341-V344 PolarHBondContact O-N 3.1Å; R342-V344 PolarHBondContact O-N 3.06Å; V344-S346 PolarHBondContact O-N 3.42Å; V344-R347 WeakPolarHBondContact O-CB 3.45Å; V344-R347 PolarHBondContact O-N 3.04Å; V344-S348 PolarHBondContact O-N 3.01Å; V344-S348 VanDerWaalsContact O-N 3.17Å
345	S	65.9	Low	61.8	Low	59 Å²	59	100.3 Å²	100.3	41%	0.413	52%	0.523	S	S	.	.	H	α-helix	trans	-60.1	-44.2	-178.5	-69.1	0	0	0	0	112.6	M341 R342 R347 S348 D349	M341-S345 PolarHBondContact O-N 3.4Å; M341-S345 VanDerWaalsContact O-N 3.08Å; R342-S345 PolarHBondContact O-N 3.11Å; S345-R347 PolarHBondContact O-N 3.38Å; S345-S348 WeakPolarHBondContact CA-OG 3.27Å; S345-S348 PolarHBondContact O-N 2.73Å; S345-S348 PolarHBondContact O-OG 3.01Å; S345-D349 PolarHBondContact O-N 3.16Å; S345-D349 VanDerWaalsContact O-OD1 3.13Å
346	S	63.7	Low	60.1	Low	62 Å²	62	97.7 Å²	97.7	43%	0.434	52%	0.524	S	S	.	.	H	α-helix	trans	-60.5	-10.1	175.2	57.5	0	0	0	0	114.9	R342 D343 V344	R342-S346 WeakPolarHBondContact O-CB 3.28Å; R342-S346 PolarHBondContact O-N 3.16Å; R342-S346 PolarHBondContact O-OG 3.3Å; D343-S346 PolarHBondContact O-OG 3.02Å; V344-S346 PolarHBondContact O-N 3.42Å
347	R	58.5	Low	58.4	Low	201 Å²	201	100.7 Å²	100.7	76%	0.758	55%	0.549	S	S	*	.	H	α-helix	trans	-100.8	-27.9	171.8	-65	175.2	-178.3	-153.8	-2.5	113.6	D343 V344 S345 D349	D343-R347 VanDerWaalsContact O-CD 3.28Å; D343-R347 WeakPolarHBondContact O-CD 3.3Å; D343-R347 VanDerWaalsContact O-CG 3.32Å; D343-R347 WeakPolarHBondContact O-CG 3.39Å; D343-R347 PolarHBondContact O-NE 3.28Å; V344-R347 WeakPolarHBondContact O-CB 3.45Å; V344-R347 PolarHBondContact O-N 3.04Å; S345-R347 PolarHBondContact O-N 3.38Å; R347-D349 VanDerWaalsContact C-N 3.33Å
348	S	54.7	Low	56.2	Low	66 Å²	66	106.7 Å²	106.7	46%	0.462	59%	0.586	S	S	.	*	H	α-helix	trans	-67.3	-39.3	168.5	50.8	0	0	0	0	111	V344 S345 K350 A351	V344-S348 PolarHBondContact O-N 3.01Å; V344-S348 VanDerWaalsContact O-N 3.17Å; S345-S348 WeakPolarHBondContact CA-OG 3.27Å; S345-S348 PolarHBondContact O-N 2.73Å; S345-S348 PolarHBondContact O-OG 3.01Å; S348-K350 PolarHBondContact O-N 2.83Å; S348-A351 WeakPolarHBondContact O-CB 3.47Å; S348-A351 PolarHBondContact O-N 3.36Å
349	D	48.1	Very low	54.1	Low	126 Å²	126	107.9 Å²	107.9	67%	0.674	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	2.5	-169.7	-50.5	-10.3	0	0	0	112.6	S345 R347	S345-D349 PolarHBondContact O-N 3.16Å; S345-D349 VanDerWaalsContact O-OD1 3.13Å; R347-D349 VanDerWaalsContact C-N 3.33Å
350	K	49.5	Very low	52	Low	183 Å²	183	110.8 Å²	110.8	80%	0.796	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	7.5	170.3	-68.3	-169	174.6	-171.8	0	113.6	S348	S348-K350 PolarHBondContact O-N 2.83Å
351	A	40.1	Very low	49.6	Very low	78 Å²	78	120 Å²	120	65%	0.645	66%	0.655	S	S	*	*	S	Bend	trans	-79.4	123.7	166	0	0	0	0	0	109.5	S348	S348-A351 WeakPolarHBondContact O-CB 3.47Å; S348-A351 PolarHBondContact O-N 3.36Å
352	T	38	Very low	47.3	Very low	125 Å²	125	122.4 Å²	122.4	77%	0.767	69%	0.685	S	S	*	*			trans	-58.6	135.7	-166.9	-50.5	0	0	0	0	113.9	I354	T352-I354 PolarHBondContact O-N 3.27Å; T352-I354 VanDerWaalsContact O-N 3.17Å
353	V	34.7	Very low	44.9	Very low	135 Å²	135	124.9 Å²	124.9	82%	0.818	70%	0.7	S	S	*	*			trans	-63.6	111.7	170.7	178.3	0	0	0	0	109.9
354	I	41.7	Very low	42.8	Very low	150 Å²	150	125.6 Å²	125.6	77%	0.769	72%	0.716	S	S	*	*			trans	-125.2	110.5	162.5	-60.9	-179.6	0	0	0	107.3	T352	T352-I354 PolarHBondContact O-N 3.27Å; T352-I354 VanDerWaalsContact O-N 3.17Å
355	S	33.9	Very low	40.9	Very low	112 Å²	112	130.8 Å²	130.8	78%	0.783	74%	0.742	S	S	*	*			trans	-89.4	126.3	-178.5	54.6	0	0	0	0	111.7
356	S	39.1	Very low	39.1	Very low	103 Å²	103	135.1 Å²	135.1	72%	0.72	77%	0.766	S	S	*	*			trans	-146.7	147.9	167.3	55.5	0	0	0	0	111.5
357	P	38	Very low	37.5	Very low	128 Å²	128	135.4 Å²	135.4	83%	0.831	78%	0.779	S	S	*	*			trans	-87.4	160.8	-157.5	-10.7	29.9	0	0	0	115.5
358	V	31.1	Very low	36	Very low	138 Å²	138	136.5 Å²	136.5	84%	0.836	78%	0.783	S	S	*	*			trans	-104.8	131.9	-178.8	178.2	0	0	0	0	112.4
359	P	35.6	Very low	34.7	Very low	118 Å²	118	142.8 Å²	142.8	77%	0.766	80%	0.797	S	S	*	*			trans	-123.4	104.3	158.2	31.9	-17	0	0	0	114.5
360	K	34.5	Very low	33.7	Very low	191 Å²	191	144.7 Å²	144.7	83%	0.83	81%	0.806	S	S	*	*			trans	25.8	119.3	139.3	-60.3	167.7	-176.8	170.4	0	121
361	K	30.5	Very low	32.6	Very low	213 Å²	213	139.1 Å²	139.1	93%	0.926	80%	0.8	S	S	*	*			trans	51.4	116.8	137.2	-64.4	-177.4	176.9	179.8	0	121.1
362	A	31.3	Very low	32.1	Very low	107 Å²	107	142.3 Å²	142.3	88%	0.884	81%	0.812	S	S	*	*			trans	-150.9	176.7	143.5	0	0	0	0	0	110.9
363	K	29.4	Very low	31.8	Very low	206 Å²	206	145.2 Å²	145.2	90%	0.896	82%	0.816	S	S	*	*			trans	-122.9	158.7	-174.1	-66.3	179.2	178.9	175.9	0	113.3
364	A	30.3	Very low	31.3	Very low	92 Å²	92	147.5 Å²	147.5	76%	0.76	82%	0.815	S	S	*	*			trans	83.5	166.2	146.5	0	0	0	0	0	120.6
365	N	31.2	Very low	30.8	Very low	153 Å²	153	150.2 Å²	150.2	82%	0.818	82%	0.822	S	S	*	*			trans	74.3	89.2	168.8	-64.7	-1.7	0	0	0	120.1
366	V	27.3	Very low	30.4	Very low	150 Å²	150	150.8 Å²	150.8	91%	0.909	82%	0.816	S	S	*	*				-0.5	126.6	119.4	-179.8	0	0	0	0	115.5
367	G	29.3	Very low	29.8	Very low	69 Å²	69	152.1 Å²	152.1	71%	0.711	82%	0.82	S	S	*	*			trans	167	82.3	162.8	0	0	0	0	0	118.9
368	R	27.5	Very low	29.2	Very low	224 Å²	224	154.2 Å²	154.2	85%	0.845	82%	0.818	S	S	*	*			trans	50.9	138.4	146.1	-103.8	-177.7	175.6	171.8	-0.6	121.9
369	R	27.5	Very low	29.1	Very low	197 Å²	197	152.1 Å²	152.1	74%	0.743	81%	0.806	S	S	*	*			trans	94.3	134.5	131.6	-99.4	-177.3	174	178.3	-3.9	120.9
370	L	28	Very low	28.6	Very low	166 Å²	166	155.4 Å²	155.4	87%	0.869	81%	0.81	S	S	*	*			trans	68.2	141.4	155.3	-55.9	162.4	0	0	0	116.2
371	G	25.9	Very low	28.4	Very low	66 Å²	66	151.6 Å²	151.6	68%	0.68	79%	0.794	S	S	*	*			cis	156.6	105.2	-8.7	0	0	0	0	0	111.4
372	V	29.9	Very low	28.5	Very low	146 Å²	146	145 Å²	145	89%	0.885	78%	0.779	S	S	*	*			trans	-130.2	146.4	-174.1	-176.5	0	0	0	0	111.6
373	H	30.3	Very low	28.4	Very low	186 Å²	186	148.6 Å²	148.6	86%	0.861	78%	0.778	S	S	*	*			trans	-66.6	158.4	-162	-74.5	11.4	0	0	0	117.6
374	K	26	Very low	28.4	Very low	183 Å²	183	141.4 Å²	141.4	80%	0.796	75%	0.753	S	S	*	*			trans	-58.1	142.3	162.4	-67.1	178.9	174.5	-178.5	0	111.7
375	K	30.1	Very low	28.3	Very low	207 Å²	207	141.7 Å²	141.7	90%	0.9	75%	0.749	S	S	*	*			trans	-126.3	130.7	134.2	-83.2	-170	172.4	-176.2	0	107.5
376	N	25.3	Very low	28.3	Very low	124 Å²	124	139 Å²	139	66%	0.663	74%	0.74	S	S	*	*			trans	-80.5	127.6	-175.8	-68.3	-0.8	0	0	0	110.6
377	T	27.6	Very low	28.4	Very low	131 Å²	131	140.8 Å²	140.8	80%	0.804	74%	0.736	S	S	*	*			trans	-119.7	112.7	149.4	36	0	0	0	0	106.8	V379	T377-V379 PolarHBondContact O-N 3.28Å
378	H	25.4	Very low	28.3	Very low	171 Å²	171	144.4 Å²	144.4	79%	0.792	74%	0.744	S	S	*	*			trans	-69.1	118.9	179.8	-116.4	-107.6	0	0	0	109.3
379	V	28.4	Very low	28.5	Very low	95 Å²	95	139.2 Å²	139.2	58%	0.576	74%	0.742	S	S	*	*			trans	-115.7	116	161.6	177.8	0	0	0	0	105	T377 F381	T377-V379 PolarHBondContact O-N 3.28Å; V379-F381 HydrophobicContact CB-CE2 4.06Å; V379-F381 HydrophobicContact CG1-CD2 4.34Å; V379-F381 HydrophobicContact CG1-CE2 3.88Å; V379-F381 HydrophobicContact CG1-CZ 4.28Å; V379-F381 WeakPolarHBondContact O-CD2 3.46Å; V379-F381 PolarHBondContact O-N 2.79Å; V379-F381 VanDerWaalsContact O-N 3.08Å
380	E	25.2	Very low	28.7	Very low	186 Å²	186	137.2 Å²	137.2	87%	0.869	75%	0.747	S	S	*	*			trans	-68.7	108.4	178.4	-71.1	-168.4	126.7	0	0	110.2
381	F	30.2	Very low	28.7	Very low	111 Å²	111	141 Å²	141	49%	0.487	75%	0.749	S	S	.	*			trans	-95.1	128.9	159.8	-67.1	-91.2	0	0	0	107.5	K278 V379 E383	K278-F381 HydrophobicContact CD-CE1 4.47Å; K278-F381 HydrophobicContact CG-CE1 4.5Å; V379-F381 HydrophobicContact CB-CE2 4.06Å; V379-F381 HydrophobicContact CG1-CD2 4.34Å; V379-F381 HydrophobicContact CG1-CE2 3.88Å; V379-F381 HydrophobicContact CG1-CZ 4.28Å; V379-F381 WeakPolarHBondContact O-CD2 3.46Å; V379-F381 PolarHBondContact O-N 2.79Å; V379-F381 VanDerWaalsContact O-N 3.08Å; F381-E383 PolarHBondContact O-N 3.24Å; F381-E383 VanDerWaalsContact O-N 3.07Å
382	A	32.4	Very low	28.9	Very low	75 Å²	75	142.4 Å²	142.4	62%	0.62	75%	0.754	S	S	*	*			trans	-64.4	109.4	164.8	0	0	0	0	0	108.3	C384	A382-C384 PolarHBondContact O-N 2.96Å; A382-C384 VanDerWaalsContact O-N 3.11Å
383	E	29.6	Very low	29	Very low	182 Å²	182	143.5 Å²	143.5	85%	0.85	75%	0.754	S	S	*	*			trans	-63.1	111.4	-173.4	-66.9	-167.3	138.2	0	0	111.7	F381	F381-E383 PolarHBondContact O-N 3.24Å; F381-E383 VanDerWaalsContact O-N 3.07Å
384	C	29.6	Very low	29.2	Very low	55 Å²	55	139.3 Å²	139.3	37%	0.372	74%	0.738	S	S	.	*			trans	-102.4	76.9	177.2	-173.8	0	0	0	0	110.8	P218 A382 P386	P218-C384 HydrophobicContact CG-CB 4.44Å; A382-C384 PolarHBondContact O-N 2.96Å; A382-C384 VanDerWaalsContact O-N 3.11Å; C384-P386 WeakPolarHBondContact O-CD 3.48Å
385	S	27.3	Very low	29.9	Very low	98 Å²	98	136.5 Å²	136.5	69%	0.685	73%	0.728	S	S	*	*			trans	-72.5	120	170.1	-58.7	0	0	0	0	110.8	K387	S385-K387 PolarHBondContact O-N 3.1Å
386	P	31.2	Very low	30.3	Very low	97 Å²	97	135.6 Å²	135.6	63%	0.63	72%	0.724	S	S	*	*			trans	-74.1	102.3	-178.6	29.4	-33.9	0	0	0	111.1	C384	C384-P386 WeakPolarHBondContact O-CD 3.48Å
387	K	29.2	Very low	30.8	Very low	188 Å²	188	137.2 Å²	137.2	82%	0.817	72%	0.721	S	S	*	*			trans	-70.3	128	166.8	-69.4	-174.4	178.2	-179.2	0	109.9	S385	S385-K387 PolarHBondContact O-N 3.1Å
388	T	27.8	Very low	31.2	Very low	145 Å²	145	134.8 Å²	134.8	89%	0.89	71%	0.706	S	S	*	*			trans	-86.7	123.1	174.7	41	0	0	0	0	110.8
389	S	31.9	Very low	31.6	Very low	114 Å²	114	129.3 Å²	129.3	80%	0.797	69%	0.69	S	S	*	*			trans	-157.2	148.5	169.4	60.8	0	0	0	0	111.4
390	D	31.5	Very low	32.1	Very low	156 Å²	156	129.9 Å²	129.9	83%	0.834	69%	0.69	S	S	*	*			trans	-82	166.3	-161.1	-83.5	-71.6	0	0	0	118.4
391	R	28.5	Very low	33.1	Very low	245 Å²	245	125.9 Å²	125.9	93%	0.925	67%	0.671	S	S	*	*			trans	77.8	138.4	156.4	-78.3	168.1	176.9	176.5	-0.8	119.4
392	A	28.6	Very low	33.6	Very low	95 Å²	95	121.7 Å²	121.7	79%	0.785	66%	0.655	S	S	*	*			trans	-89.7	142.2	177	0	0	0	0	0	111.8
393	L	33.1	Very low	34.3	Very low	169 Å²	169	120.7 Å²	120.7	89%	0.885	64%	0.643	S	S	*	*			trans	-178.8	79.3	160.4	-106.4	169	0	0	0	109.6
394	N	35.3	Very low	35.4	Very low	99 Å²	99	119.4 Å²	119.4	53%	0.529	64%	0.635	S	S	.	*			trans	-159.6	13.5	174.7	-110.2	-37.7	0	0	0	120.5	K396 R397 V398	N394-K396 PolarHBondContact O-N 2.79Å; N394-R397 WeakPolarHBondContact O-CB 3.37Å; N394-R397 PolarHBondContact O-N 3.06Å; N394-R397 WeakPolarHBondContact OD1-CB 3.38Å; N394-R397 WeakPolarHBondContact OD1-CD 3.48Å; N394-V398 PolarHBondContact O-N 3.11Å
395	E	40.1	Very low	36.5	Very low	124 Å²	124	119.9 Å²	119.9	58%	0.579	63%	0.632	S	S	*	*	H	α-helix	trans	-66.4	-38.6	-174	-63.6	-172.2	129.6	0	0	114.3	Y17 R397 V398 A399	Y17-E395 VanDerWaalsContact CE2-OE1 3.3Å; Y17-E395 WeakPolarHBondContact CE2-OE1 3.33Å; Y17-E395 VanDerWaalsContact CZ-OE1 3.31Å; Y17-E395 PolarHBondContact OH-OE1 3.42Å; E395-R397 PolarHBondContact O-N 3.03Å; E395-R397 VanDerWaalsContact O-N 3.11Å; E395-V398 PolarHBondContact O-N 2.68Å; E395-V398 VanDerWaalsContact O-N 3.13Å; E395-A399 PolarHBondContact O-N 3.09Å
396	K	38.2	Very low	37.3	Very low	187 Å²	187	116.4 Å²	116.4	81%	0.813	61%	0.606	S	S	*	*	H	α-helix	trans	-60.3	-21.7	173	-74.2	-172.1	176	-177.1	0	113.5	N394 N400	N394-K396 PolarHBondContact O-N 2.79Å; K396-N400 PolarHBondContact O-N 2.9Å; K396-N400 PolarHBondContact O-ND2 3.04Å
397	R	35.2	Very low	38.2	Very low	158 Å²	158	115.8 Å²	115.8	60%	0.596	60%	0.6	S	S	*	*	H	α-helix	trans	-82.2	-33.5	178.6	-150.6	173.2	-165	-172.5	11.1	111.4	N394 E395 Q401	N394-R397 WeakPolarHBondContact O-CB 3.37Å; N394-R397 PolarHBondContact O-N 3.06Å; N394-R397 WeakPolarHBondContact OD1-CB 3.38Å; N394-R397 WeakPolarHBondContact OD1-CD 3.48Å; E395-R397 PolarHBondContact O-N 3.03Å; E395-R397 VanDerWaalsContact O-N 3.11Å; R397-Q401 VanDerWaalsContact O-CB 3.3Å; R397-Q401 WeakPolarHBondContact O-CB 3.46Å; R397-Q401 VanDerWaalsContact O-CG 3.24Å; R397-Q401 WeakPolarHBondContact O-CG 3.03Å; R397-Q401 PolarHBondContact O-N 3.16Å
398	V	36.5	Very low	39.1	Very low	80 Å²	80	112.3 Å²	112.3	49%	0.485	59%	0.587	S	S	.	*	H	α-helix	trans	-62.8	-54.1	173.2	-178.8	0	0	0	0	110.4	N394 E395 N400 Q401 T402	N394-V398 PolarHBondContact O-N 3.11Å; E395-V398 PolarHBondContact O-N 2.68Å; E395-V398 VanDerWaalsContact O-N 3.13Å; V398-N400 VanDerWaalsContact C-N 3.3Å; V398-N400 PolarHBondContact O-N 2.97Å; V398-Q401 CarbonylContact O-C 3.51Å; V398-Q401 WeakPolarHBondContact O-CA 3.22Å; V398-Q401 WeakPolarHBondContact O-CB 3.3Å; V398-Q401 PolarHBondContact O-N 3.12Å; V398-T402 PolarHBondContact O-N 3.07Å; V398-T402 PolarHBondContact O-OG1 2.72Å
399	A	34.8	Very low	39.8	Very low	56 Å²	56	106.7 Å²	106.7	46%	0.463	56%	0.555	S	S	.	*	H	α-helix	trans	-55.9	-43	179.5	0	0	0	0	0	112.7	E395 T402 S403	E395-A399 PolarHBondContact O-N 3.09Å; A399-T402 PolarHBondContact O-N 3.09Å; A399-S403 PolarHBondContact O-N 3.05Å; A399-S403 PolarHBondContact O-OG 3.13Å
400	N	38.8	Very low	40.4	Very low	108 Å²	108	104.7 Å²	104.7	58%	0.578	55%	0.546	S	S	*	.	H	α-helix	trans	-70	-30.2	175.4	-80.5	-26.5	0	0	0	113.6	K396 V398 K404	K396-N400 PolarHBondContact O-N 2.9Å; K396-N400 PolarHBondContact O-ND2 3.04Å; V398-N400 VanDerWaalsContact C-N 3.3Å; V398-N400 PolarHBondContact O-N 2.97Å; N400-K404 WeakPolarHBondContact O-CB 3.25Å; N400-K404 WeakPolarHBondContact O-CG 3.34Å; N400-K404 PolarHBondContact O-N 2.77Å; N400-K404 VanDerWaalsContact O-N 3.08Å
401	Q	45.2	Very low	40.9	Very low	101 Å²	101	105.6 Å²	105.6	47%	0.472	54%	0.542	S	S	.	.	H	α-helix	trans	-71.5	-44.7	172.6	-80.7	173.9	-37.4	0	0	111.4	R397 V398 S403 K404 Q405	R397-Q401 VanDerWaalsContact O-CB 3.3Å; R397-Q401 WeakPolarHBondContact O-CB 3.46Å; R397-Q401 VanDerWaalsContact O-CG 3.24Å; R397-Q401 WeakPolarHBondContact O-CG 3.03Å; R397-Q401 PolarHBondContact O-N 3.16Å; V398-Q401 CarbonylContact O-C 3.51Å; V398-Q401 WeakPolarHBondContact O-CA 3.22Å; V398-Q401 WeakPolarHBondContact O-CB 3.3Å; V398-Q401 PolarHBondContact O-N 3.12Å; Q401-S403 PolarHBondContact O-N 3.18Å; Q401-K404 PolarHBondContact O-N 3.31Å; Q401-Q405 WeakPolarHBondContact O-CB 3.19Å; Q401-Q405 VanDerWaalsContact O-CG 3.29Å; Q401-Q405 WeakPolarHBondContact O-CG 3.34Å; Q401-Q405 PolarHBondContact O-N 3.15Å
402	T	41.7	Very low	41.4	Very low	24 Å²	24	96 Å²	96	15%	0.147	52%	0.516	C	S	.	.	H	α-helix	trans	-56.7	-50.9	173.7	-53.6	0	0	0	0	110	V398 A399 K404 Q405 V406	V398-T402 PolarHBondContact O-N 3.07Å; V398-T402 PolarHBondContact O-OG1 2.72Å; A399-T402 PolarHBondContact O-N 3.09Å; T402-K404 VanDerWaalsContact C-N 3.34Å; T402-K404 PolarHBondContact O-N 2.89Å; T402-Q405 PolarHBondContact O-N 3.07Å; T402-V406 HydrophobicContact CG2-CG2 4.28Å; T402-V406 WeakPolarHBondContact O-CB 3.34Å; T402-V406 WeakPolarHBondContact O-CG2 3.43Å; T402-V406 PolarHBondContact O-N 2.66Å
403	S	46.6	Very low	41.6	Very low	53 Å²	53	97.6 Å²	97.6	37%	0.371	52%	0.516	S	S	.	.	H	α-helix	trans	-58.7	-40.2	176.7	-65	0	0	0	0	113.2	A399 Q401 V407	A399-S403 PolarHBondContact O-N 3.05Å; A399-S403 PolarHBondContact O-OG 3.13Å; Q401-S403 PolarHBondContact O-N 3.18Å; S403-V407 WeakPolarHBondContact O-CG2 3.3Å; S403-V407 PolarHBondContact O-N 2.97Å
404	K	53.2	Low	41.9	Very low	155 Å²	155	94.9 Å²	94.9	67%	0.674	51%	0.508	S	S	*	.	H	α-helix	trans	-68.6	-44.5	175.8	-77.6	-174.6	176.5	-167.6	0	112.9	N400 Q401 T402 V406 V407 E408	N400-K404 WeakPolarHBondContact O-CB 3.25Å; N400-K404 WeakPolarHBondContact O-CG 3.34Å; N400-K404 PolarHBondContact O-N 2.77Å; N400-K404 VanDerWaalsContact O-N 3.08Å; Q401-K404 PolarHBondContact O-N 3.31Å; T402-K404 VanDerWaalsContact C-N 3.34Å; T402-K404 PolarHBondContact O-N 2.89Å; K404-V406 VanDerWaalsContact C-N 3.32Å; K404-V406 PolarHBondContact O-N 3.11Å; K404-V407 PolarHBondContact O-N 3Å; K404-E408 PolarHBondContact O-N 3.1Å
405	Q	51.1	Low	42	Very low	66 Å²	66	92.9 Å²	92.9	31%	0.308	51%	0.511	S	S	.	.	H	α-helix	trans	-63.4	-38.8	176.3	-71.3	168.6	1	0	0	111.5	Q401 T402 E408 A409	Q401-Q405 WeakPolarHBondContact O-CB 3.19Å; Q401-Q405 VanDerWaalsContact O-CG 3.29Å; Q401-Q405 WeakPolarHBondContact O-CG 3.34Å; Q401-Q405 PolarHBondContact O-N 3.15Å; T402-Q405 PolarHBondContact O-N 3.07Å; Q405-E408 PolarHBondContact O-N 3.01Å; Q405-A409 VanDerWaalsContact O-CB 3.24Å; Q405-A409 WeakPolarHBondContact O-CB 3.47Å; Q405-A409 PolarHBondContact O-N 2.98Å
406	V	44.4	Very low	41.9	Very low	25 Å²	25	92.4 Å²	92.4	15%	0.152	52%	0.521	C	S	.	.	H	α-helix	trans	-59.2	-45.1	172.1	160.6	0	0	0	0	110.8	R86 T402 K404 A410	R86-V406 PolarHBondContact NH2-O 3.06Å; T402-V406 HydrophobicContact CG2-CG2 4.28Å; T402-V406 WeakPolarHBondContact O-CB 3.34Å; T402-V406 WeakPolarHBondContact O-CG2 3.43Å; T402-V406 PolarHBondContact O-N 2.66Å; K404-V406 VanDerWaalsContact C-N 3.32Å; K404-V406 PolarHBondContact O-N 3.11Å; V406-A410 PolarHBondContact O-N 2.89Å; V406-A410 VanDerWaalsContact O-N 3.09Å
407	V	50.7	Low	42.3	Very low	83 Å²	83	86.7 Å²	86.7	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-70.6	-40.4	177.2	169.7	0	0	0	0	112.8	S403 K404 A410 K411	S403-V407 WeakPolarHBondContact O-CG2 3.3Å; S403-V407 PolarHBondContact O-N 2.97Å; K404-V407 PolarHBondContact O-N 3Å; V407-A410 PolarHBondContact O-N 2.95Å; V407-K411 PolarHBondContact O-N 2.94Å
408	E	48.4	Very low	42.4	Very low	116 Å²	116	84 Å²	84	54%	0.542	51%	0.509	S	S	.	.	H	α-helix	trans	-63.3	-43.5	174.5	-73.9	-169.9	150.8	0	0	111.7	K404 Q405 A410 K411 A412	K404-E408 PolarHBondContact O-N 3.1Å; Q405-E408 PolarHBondContact O-N 3.01Å; E408-A410 PolarHBondContact O-N 2.96Å; E408-K411 PolarHBondContact O-N 3.09Å; E408-A412 PolarHBondContact O-N 2.81Å
409	A	43.3	Very low	42.6	Very low	27 Å²	27	82.4 Å²	82.4	22%	0.223	50%	0.504	C	S	.	.	H	α-helix	trans	-64.6	-26.9	175.5	0	0	0	0	0	113.1	V209 Q405 K411	V209-A409 HydrophobicContact CG1-CB 3.65Å; Q405-A409 VanDerWaalsContact O-CB 3.24Å; Q405-A409 WeakPolarHBondContact O-CB 3.47Å; Q405-A409 PolarHBondContact O-N 2.98Å; A409-K411 VanDerWaalsContact C-N 3.32Å
410	A	43.5	Very low	42.7	Very low	72 Å²	72	90 Å²	90	60%	0.595	52%	0.521	S	S	*	.	H	α-helix	trans	-75.7	-17.7	173.3	0	0	0	0	0	113.5	V406 V407 E408	V406-A410 PolarHBondContact O-N 2.89Å; V406-A410 VanDerWaalsContact O-N 3.09Å; V407-A410 PolarHBondContact O-N 2.95Å; E408-A410 PolarHBondContact O-N 2.96Å
411	K	42.2	Very low	42.8	Very low	174 Å²	174	86.1 Å²	86.1	76%	0.757	50%	0.5	S	S	*	.	H	α-helix	trans	-90.3	-14.4	173.3	-68.7	-174.2	176.9	-171.4	0	113.3	V407 E408 A409 T413	V407-K411 PolarHBondContact O-N 2.94Å; E408-K411 PolarHBondContact O-N 3.09Å; A409-K411 VanDerWaalsContact C-N 3.32Å; K411-T413 PolarHBondContact O-N 3.07Å
412	A	37.9	Very low	42.4	Very low	45 Å²	45	86.7 Å²	86.7	37%	0.372	51%	0.51	S	S	.	.	S	Bend	trans	-79.2	108.5	170.6	0	0	0	0	0	109.2	E408	E408-A412 PolarHBondContact O-N 2.81Å
413	T	33.3	Very low	42.1	Very low	128 Å²	128	91.8 Å²	91.8	79%	0.785	54%	0.544	S	S	*	.			trans	-49.6	133.7	168.7	-47.7	0	0	0	0	109.3	K411 G415	K411-T413 PolarHBondContact O-N 3.07Å; T413-G415 PolarHBondContact O-N 2.73Å
414	P	40.7	Very low	41.5	Very low	111 Å²	111	91.8 Å²	91.8	72%	0.721	55%	0.553	S	S	*	*			trans	-55	115.4	174.6	-25.5	34.8	0	0	0	109.9
415	G	36.3	Very low	40.8	Very low	57 Å²	57	85.6 Å²	85.6	59%	0.588	53%	0.527	S	S	*	.			trans	-58.3	140.3	173.6	0	0	0	0	0	109.2	T413 C417	T413-G415 PolarHBondContact O-N 2.73Å; G415-C417 VanDerWaalsContact C-N 3.29Å; G415-C417 PolarHBondContact O-N 2.9Å
416	S	37.5	Very low	40.2	Very low	114 Å²	114	91.7 Å²	91.7	80%	0.797	55%	0.547	S	S	*	.			trans	-68.9	86.5	-177.8	-172	0	0	0	0	110.6	S418	S416-S418 PolarHBondContact O-N 2.87Å
417	C	46.2	Very low	40.1	Very low	68 Å²	68	90.8 Å²	90.8	46%	0.459	54%	0.541	S	S	.	.			trans	-73	56.1	167.5	-71	0	0	0	0	110.4	C167 G415 A419	C167-C417 HydrophobicContact CB-CB 4.11Å; C167-C417 VanDerWaalsContact SG-CB 3.53Å; G415-C417 VanDerWaalsContact C-N 3.29Å; G415-C417 PolarHBondContact O-N 2.9Å; C417-A419 PolarHBondContact O-N 2.85Å
418	S	38.6	Very low	39.7	Very low	101 Å²	101	88.4 Å²	88.4	71%	0.706	52%	0.524	S	S	*	.			trans	-76	49.1	171.2	-156.5	0	0	0	0	110.9	S416 R420	S416-S418 PolarHBondContact O-N 2.87Å; S418-R420 VanDerWaalsContact C-N 3.32Å; S418-R420 PolarHBondContact O-N 3.17Å; S418-R420 VanDerWaalsContact O-N 3.07Å
419	A	39.5	Very low	39.3	Very low	46 Å²	46	85.7 Å²	85.7	38%	0.38	52%	0.516	S	S	.	.			trans	-76.5	88.4	167.8	0	0	0	0	0	107.5	C417 I421	C417-A419 PolarHBondContact O-N 2.85Å; A419-I421 PolarHBondContact O-N 3.32Å
420	R	37	Very low	39.1	Very low	215 Å²	215	87.4 Å²	87.4	81%	0.811	53%	0.527	S	S	*	.			trans	-66.5	96	-179.9	-176	-166.6	-60	178.8	1.4	109.2	S418 V422	S418-R420 VanDerWaalsContact C-N 3.32Å; S418-R420 PolarHBondContact O-N 3.17Å; S418-R420 VanDerWaalsContact O-N 3.07Å; R420-V422 PolarHBondContact O-N 2.77Å
421	I	42.6	Very low	39	Very low	28 Å²	28	88.7 Å²	88.7	14%	0.144	53%	0.528	C	S	.	.			trans	-48.7	118	173.1	-65.6	-170.8	0	0	0	108.4	H100 A419 P423	H100-I421 HydrophobicContact CB-CD1 3.99Å; A419-I421 PolarHBondContact O-N 3.32Å; I421-P423 WeakPolarHBondContact O-CD 3.33Å
422	V	35.8	Very low	39.3	Very low	113 Å²	113	84 Å²	84	69%	0.685	51%	0.514	S	S	*	.			trans	-64	128	-179.2	-177.1	0	0	0	0	108.2	R420 G424	R420-V422 PolarHBondContact O-N 2.77Å; V422-G424 PolarHBondContact O-N 2.69Å
423	P	34.3	Very low	39.5	Very low	130 Å²	130	91.6 Å²	91.6	84%	0.844	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	55.4	-174.6	-26.6	37.7	0	0	0	117.5	I421	I421-P423 WeakPolarHBondContact O-CD 3.33Å
424	G	36	Very low	39.8	Very low	54 Å²	54	89.6 Å²	89.6	56%	0.557	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-51.4	165.9	0	0	0	0	0	112.4	V422 R426	V422-G424 PolarHBondContact O-N 2.69Å; G424-R426 VanDerWaalsContact C-N 3.34Å; G424-R426 PolarHBondContact O-N 2.69Å
425	L	37.3	Very low	40.1	Very low	25 Å²	25	85.4 Å²	85.4	13%	0.131	50%	0.497	C	S	.	.			trans	-77	71.7	-176.9	-84.2	164.6	0	0	0	113.2	R325 E329 N427 F428	R325-L425 HydrophobicContact CB-CD1 3.99Å; E329-L425 HydrophobicContact CB-CD2 4.29Å; E329-L425 VanDerWaalsContact CD-CG 3.48Å; E329-L425 HydrophobicContact CG-CD2 3.82Å; E329-L425 HydrophobicContact CG-CG 4.36Å; E329-L425 VanDerWaalsContact OE1-CD2 3.28Å; E329-L425 WeakPolarHBondContact OE1-CD2 3.39Å; E329-L425 WeakPolarHBondContact OE1-CG 3.41Å; E329-L425 WeakPolarHBondContact OE2-CG 3.19Å; L425-N427 PolarHBondContact O-N 2.99Å; L425-F428 HydrophobicContact CD2-CZ 4.43Å
426	R	38.1	Very low	40.7	Very low	193 Å²	193	86.9 Å²	86.9	73%	0.728	49%	0.49	S	S	*	.			trans	-64.4	106.9	152.9	-66.1	-170.6	-167.4	-146.4	2.8	107.3	G424 F428 P429	G424-R426 VanDerWaalsContact C-N 3.34Å; G424-R426 PolarHBondContact O-N 2.69Å; R426-F428 WeakPolarHBondContact O-CA 3.25Å; R426-F428 PolarHBondContact O-N 3.35Å; R426-P429 HydrophobicContact CB-CG 4.14Å; R426-P429 WeakPolarHBondContact O-CD 3.43Å
427	N	42.2	Very low	41.2	Very low	7 Å²	7	86.3 Å²	86.3	4%	0.037	48%	0.478	C	S	.	.	S	Bend	trans	-42.7	114.1	176	-84.8	-0.2	0	0	0	110.2	T103 F104 W197 L425	T103-N427 HydrophobicContact CG2-CB 4.17Å; T103-N427 WeakPolarHBondContact OG1-CB 3.36Å; T103-N427 PolarHBondContact OG1-O 3.37Å; F104-N427 PolarHBondContact O-ND2 2.54Å; W197-N427 HydrophobicContact CZ3-CB 4.39Å; L425-N427 PolarHBondContact O-N 2.99Å
428	F	43.9	Very low	41.4	Very low	33 Å²	33	92.1 Å²	92.1	15%	0.145	49%	0.49	C	S	.	.			trans	-19.3	110.1	-152.6	-57.4	-74.2	0	0	0	116.4	K153 W197 T332 L425 R426 S430	K153-F428 HydrophobicContact CB-CE2 4.25Å; K153-F428 HydrophobicContact CD-CD2 3.67Å; K153-F428 HydrophobicContact CD-CE2 3.79Å; K153-F428 HydrophobicContact CD-CG 4.15Å; K153-F428 HydrophobicContact CD-CZ 4.34Å; K153-F428 HydrophobicContact CG-CD2 3.97Å; K153-F428 HydrophobicContact CG-CE2 3.52Å; K153-F428 HydrophobicContact CG-CZ 3.89Å; W197-F428 HydrophobicContact CZ2-CD2 4.41Å; T332-F428 HydrophobicContact CG2-CE1 4.29Å; T332-F428 HydrophobicContact CG2-CZ 3.74Å; T332-F428 WeakPolarHBondContact OG1-CE1 3.47Å; T332-F428 WeakPolarHBondContact OG1-CZ 3.2Å; L425-F428 HydrophobicContact CD2-CZ 4.43Å; R426-F428 WeakPolarHBondContact O-CA 3.25Å; R426-F428 PolarHBondContact O-N 3.35Å; F428-S430 WeakPolarHBondContact O-CA 3.49Å; F428-S430 PolarHBondContact O-N 2.97Å
429	P	38.8	Very low	41.9	Very low	58 Å²	58	93.2 Å²	93.2	38%	0.377	48%	0.479	S	S	.	.			trans	-60.8	113.3	174.9	-14.8	28.1	0	0	0	107.9	R426 R439	R426-P429 HydrophobicContact CB-CG 4.14Å; R426-P429 WeakPolarHBondContact O-CD 3.43Å; P429-R439 PolarHBondContact O-NH2 3.48Å
430	S	39.1	Very low	42.1	Very low	63 Å²	63	96.4 Å²	96.4	44%	0.441	49%	0.487	S	S	.	.			trans	-51.4	154.7	-151.5	63.4	0	0	0	0	114.9	F428 T432 S435	F428-S430 WeakPolarHBondContact O-CA 3.49Å; F428-S430 PolarHBondContact O-N 2.97Å; S430-T432 WeakPolarHBondContact CB-OG1 3.29Å; S430-T432 PolarHBondContact O-N 3.32Å; S430-T432 VanDerWaalsContact O-N 3.14Å; S430-T432 PolarHBondContact OG-OG1 2.86Å; S430-S435 WeakPolarHBondContact O-CB 3.1Å; S430-S435 PolarHBondContact O-OG 3.25Å
431	T	42.4	Very low	42.5	Very low	100 Å²	100	88.9 Å²	88.9	61%	0.613	47%	0.468	S	S	*	.			trans	-76.2	13.1	172.9	40	0	0	0	0	113.6
432	T	46.8	Very low	43	Very low	76 Å²	76	91.9 Å²	91.9	47%	0.466	48%	0.483	S	S	.	.	S	Bend	trans	-59.9	142.1	174.8	-41.1	0	0	0	0	110.9	S430 S434 S435 I436	S430-T432 WeakPolarHBondContact CB-OG1 3.29Å; S430-T432 PolarHBondContact O-N 3.32Å; S430-T432 VanDerWaalsContact O-N 3.14Å; S430-T432 PolarHBondContact OG-OG1 2.86Å; T432-S434 PolarHBondContact O-N 2.84Å; T432-S435 WeakPolarHBondContact O-CA 2.99Å; T432-S435 WeakPolarHBondContact O-CB 3.41Å; T432-S435 PolarHBondContact O-N 2.83Å; T432-I436 PolarHBondContact O-N 2.89Å
433	R	42.6	Very low	43.3	Very low	204 Å²	204	92.2 Å²	92.2	77%	0.77	48%	0.479	S	S	*	.	H	α-helix	trans	-45.4	-41.8	177.2	-176.1	175.5	175.4	178.6	-2.2	112.9	S435 I436 L437	R433-S435 PolarHBondContact O-N 2.85Å; R433-I436 PolarHBondContact O-N 3.44Å; R433-L437 HydrophobicContact CG-CD1 4.09Å; R433-L437 WeakPolarHBondContact O-CG 3.25Å; R433-L437 PolarHBondContact O-N 2.84Å
434	S	40.6	Very low	43.8	Very low	85 Å²	85	90 Å²	90	59%	0.594	46%	0.463	S	S	*	.	H	α-helix	trans	-63.6	-34.4	178.2	-35.2	0	0	0	0	114.1	T432 R438	T432-S434 PolarHBondContact O-N 2.84Å; S434-R438 VanDerWaalsContact O-CB 3.3Å; S434-R438 WeakPolarHBondContact O-CB 3.02Å; S434-R438 PolarHBondContact O-N 2.88Å
435	S	45.8	Very low	44.7	Very low	23 Å²	23	96.3 Å²	96.3	16%	0.161	47%	0.47	C	S	.	.	H	α-helix	trans	-73.5	-40.5	175.1	164.8	0	0	0	0	111.1	S430 T432 R433 R438 R439	S430-S435 WeakPolarHBondContact O-CB 3.1Å; S430-S435 PolarHBondContact O-OG 3.25Å; T432-S435 WeakPolarHBondContact O-CA 2.99Å; T432-S435 WeakPolarHBondContact O-CB 3.41Å; T432-S435 PolarHBondContact O-N 2.83Å; R433-S435 PolarHBondContact O-N 2.85Å; S435-R438 PolarHBondContact O-N 2.88Å; S435-R439 WeakPolarHBondContact O-CB 3.48Å; S435-R439 VanDerWaalsContact O-CG 3.29Å; S435-R439 WeakPolarHBondContact O-CG 3.4Å; S435-R439 PolarHBondContact O-N 2.85Å
436	I	50.1	Low	45.2	Very low	88 Å²	88	102.8 Å²	102.8	45%	0.451	50%	0.497	S	S	.	.	H	α-helix	trans	-60.8	-48.3	173.4	-62.1	171.4	0	0	0	110.2	T432 R433 R438 R439 M440	T432-I436 PolarHBondContact O-N 2.89Å; R433-I436 PolarHBondContact O-N 3.44Å; I436-R438 PolarHBondContact O-N 2.84Å; I436-R439 PolarHBondContact O-N 3.15Å; I436-M440 HydrophobicContact CG2-SD 4.19Å; I436-M440 WeakPolarHBondContact O-CG 3.42Å; I436-M440 PolarHBondContact O-N 2.81Å
437	L	48.3	Very low	45.4	Very low	102 Å²	102	101 Å²	101	53%	0.534	49%	0.494	S	S	.	.	H	α-helix	trans	-60.7	-43.3	175.8	-71.4	170	0	0	0	112.3	R433 M440 S441	R433-L437 HydrophobicContact CG-CD1 4.09Å; R433-L437 WeakPolarHBondContact O-CG 3.25Å; R433-L437 PolarHBondContact O-N 2.84Å; L437-M440 PolarHBondContact O-N 3.28Å; L437-S441 WeakPolarHBondContact O-CB 3.49Å; L437-S441 PolarHBondContact O-N 2.87Å
438	R	49.1	Very low	45.3	Very low	190 Å²	190	106.7 Å²	106.7	72%	0.717	52%	0.516	S	S	*	.	H	α-helix	trans	-65.6	-38.5	176.5	-171.8	178.6	-95.3	-169.7	-5.4	111.9	S434 S435 I436 I442	S434-R438 VanDerWaalsContact O-CB 3.3Å; S434-R438 WeakPolarHBondContact O-CB 3.02Å; S434-R438 PolarHBondContact O-N 2.88Å; S435-R438 PolarHBondContact O-N 2.88Å; I436-R438 PolarHBondContact O-N 2.84Å; R438-I442 HydrophobicContact CG-CD1 4.09Å; R438-I442 WeakPolarHBondContact O-CD1 3.49Å; R438-I442 VanDerWaalsContact O-CG1 3.26Å; R438-I442 WeakPolarHBondContact O-CG1 3.5Å; R438-I442 PolarHBondContact O-N 2.76Å
439	R	48.4	Very low	45.4	Very low	124 Å²	124	108.3 Å²	108.3	47%	0.468	53%	0.529	S	S	.	.	H	α-helix	trans	-65.7	-41.7	172.9	-71.5	178	-166.7	-134.1	14.7	112	P429 S435 I436 I442 M443	P429-R439 PolarHBondContact O-NH2 3.48Å; S435-R439 WeakPolarHBondContact O-CB 3.48Å; S435-R439 VanDerWaalsContact O-CG 3.29Å; S435-R439 WeakPolarHBondContact O-CG 3.4Å; S435-R439 PolarHBondContact O-N 2.85Å; I436-R439 PolarHBondContact O-N 3.15Å; R439-I442 PolarHBondContact O-N 3.37Å; R439-M443 HydrophobicContact CB-CE 4.41Å; R439-M443 WeakPolarHBondContact O-CB 3.41Å; R439-M443 PolarHBondContact O-N 3.5Å
440	M	44.5	Very low	45.6	Very low	113 Å²	113	113.1 Å²	113.1	56%	0.557	55%	0.546	S	S	*	.	H	α-helix	trans	-64.8	-45.2	175.3	-73.9	-179.9	118.7	0	0	111.3	I436 L437 I442 M443 V444	I436-M440 HydrophobicContact CG2-SD 4.19Å; I436-M440 WeakPolarHBondContact O-CG 3.42Å; I436-M440 PolarHBondContact O-N 2.81Å; L437-M440 PolarHBondContact O-N 3.28Å; M440-I442 VanDerWaalsContact C-N 3.32Å; M440-I442 PolarHBondContact O-N 3.4Å; M440-M443 PolarHBondContact O-N 3.39Å; M440-V444 WeakPolarHBondContact O-CG2 3.38Å; M440-V444 PolarHBondContact O-N 3.41Å
441	S	46.6	Very low	45.7	Very low	57 Å²	57	116.5 Å²	116.5	40%	0.399	56%	0.558	S	S	.	*	H	α-helix	trans	-56.1	-44	173.7	177.3	0	0	0	0	112.4	L437 R445	L437-S441 WeakPolarHBondContact O-CB 3.49Å; L437-S441 PolarHBondContact O-N 2.87Å; S441-R445 WeakPolarHBondContact O-CB 3.4Å; S441-R445 WeakPolarHBondContact O-CG 3.29Å; S441-R445 PolarHBondContact O-N 3.24Å
442	I	52.5	Low	45.4	Very low	91 Å²	91	116.8 Å²	116.8	47%	0.467	56%	0.56	S	S	.	*	H	α-helix	trans	-69.9	-37.3	177.2	-67.8	165.7	0	0	0	111.8	R438 R439 M440 K446	R438-I442 HydrophobicContact CG-CD1 4.09Å; R438-I442 WeakPolarHBondContact O-CD1 3.49Å; R438-I442 VanDerWaalsContact O-CG1 3.26Å; R438-I442 WeakPolarHBondContact O-CG1 3.5Å; R438-I442 PolarHBondContact O-N 2.76Å; R439-I442 PolarHBondContact O-N 3.37Å; M440-I442 VanDerWaalsContact C-N 3.32Å; M440-I442 PolarHBondContact O-N 3.4Å; I442-K446 WeakPolarHBondContact O-CB 3.38Å; I442-K446 PolarHBondContact O-N 2.99Å
443	M	42.3	Very low	44.9	Very low	121 Å²	121	120.9 Å²	120.9	60%	0.596	57%	0.574	S	S	*	*	H	α-helix	trans	-67.6	-41.8	173.9	-92.8	-177	-74.4	0	0	112.6	R439 M440 K446 K447	R439-M443 HydrophobicContact CB-CE 4.41Å; R439-M443 WeakPolarHBondContact O-CB 3.41Å; R439-M443 PolarHBondContact O-N 3.5Å; M440-M443 PolarHBondContact O-N 3.39Å; M443-K446 PolarHBondContact O-N 3.28Å; M443-K447 WeakPolarHBondContact O-CB 3.49Å; M443-K447 PolarHBondContact O-N 2.62Å
444	V	44.9	Very low	44.5	Very low	84 Å²	84	117.1 Å²	117.1	51%	0.509	58%	0.576	S	S	.	*	H	α-helix	trans	-62	-48.7	174.2	171.5	0	0	0	0	109.3	M440 K446 K447 Y448	M440-V444 WeakPolarHBondContact O-CG2 3.38Å; M440-V444 PolarHBondContact O-N 3.41Å; V444-K446 PolarHBondContact O-N 3.29Å; V444-K447 PolarHBondContact O-N 2.73Å; V444-Y448 HydrophobicContact CG1-CD2 4.14Å; V444-Y448 WeakPolarHBondContact O-CB 3.47Å; V444-Y448 VanDerWaalsContact O-CD2 3.27Å; V444-Y448 WeakPolarHBondContact O-CD2 3.48Å; V444-Y448 PolarHBondContact O-N 3.41Å
445	R	53.4	Low	44.3	Very low	186 Å²	186	124.1 Å²	124.1	70%	0.702	59%	0.589	S	S	*	*	H	α-helix	trans	-57.2	-49.9	174.6	-74.6	-179.5	175.3	-175.5	-1.7	112	S441 K447 Y448 T449	S441-R445 WeakPolarHBondContact O-CB 3.4Å; S441-R445 WeakPolarHBondContact O-CG 3.29Å; S441-R445 PolarHBondContact O-N 3.24Å; R445-K447 VanDerWaalsContact C-N 3.35Å; R445-K447 PolarHBondContact O-N 2.8Å; R445-Y448 PolarHBondContact O-N 3.43Å; R445-T449 WeakPolarHBondContact O-CB 3.41Å; R445-T449 WeakPolarHBondContact O-CG2 3.31Å; R445-T449 PolarHBondContact O-N 2.93Å; R445-T449 PolarHBondContact O-OG1 3.19Å
446	K	48.7	Very low	43.9	Very low	161 Å²	161	132.4 Å²	132.4	70%	0.7	63%	0.625	S	S	*	*	H	α-helix	trans	-70.6	-19.7	-179.5	-77.6	-162.6	169.1	-161.5	0	115.9	I442 M443 V444 T449	I442-K446 WeakPolarHBondContact O-CB 3.38Å; I442-K446 PolarHBondContact O-N 2.99Å; M443-K446 PolarHBondContact O-N 3.28Å; V444-K446 PolarHBondContact O-N 3.29Å; K446-T449 PolarHBondContact O-OG1 2.82Å
447	K	42.2	Very low	43.3	Very low	156 Å²	156	133.4 Å²	133.4	68%	0.678	64%	0.64	S	S	*	*	H	α-helix	trans	-94.9	-21.1	178	-168.3	175.7	-178	-172.8	0	112.6	M443 V444 R445	M443-K447 WeakPolarHBondContact O-CB 3.49Å; M443-K447 PolarHBondContact O-N 2.62Å; V444-K447 PolarHBondContact O-N 2.73Å; R445-K447 VanDerWaalsContact C-N 3.35Å; R445-K447 PolarHBondContact O-N 2.8Å
448	Y	40.4	Very low	42.8	Very low	126 Å²	126	133.6 Å²	133.6	49%	0.494	65%	0.65	S	S	.	*	H	α-helix	trans	-113.3	3.2	-179.6	-65.6	-104.9	0	0	0	113.1	V444 R445 H450 L451	V444-Y448 HydrophobicContact CG1-CD2 4.14Å; V444-Y448 WeakPolarHBondContact O-CB 3.47Å; V444-Y448 VanDerWaalsContact O-CD2 3.27Å; V444-Y448 WeakPolarHBondContact O-CD2 3.48Å; V444-Y448 PolarHBondContact O-N 3.41Å; R445-Y448 PolarHBondContact O-N 3.43Å; Y448-H450 PolarHBondContact O-N 3.21Å; Y448-H450 VanDerWaalsContact O-N 3.14Å; Y448-L451 HydrophobicContact CD1-CD1 3.62Å; Y448-L451 HydrophobicContact CE1-CD1 4.27Å; Y448-L451 HydrophobicContact CG-CD1 4.4Å; Y448-L451 WeakPolarHBondContact O-CA 3.17Å; Y448-L451 WeakPolarHBondContact O-CB 3.21Å; Y448-L451 PolarHBondContact O-N 2.82Å
449	T	45.7	Very low	42.3	Very low	67 Å²	67	129.3 Å²	129.3	41%	0.411	65%	0.649	S	S	.	*	G	3₁₀ helix	trans	-55.7	-28.6	172.4	17.6	0	0	0	0	113.3	R445 K446 L451 T452	R445-T449 WeakPolarHBondContact O-CB 3.41Å; R445-T449 WeakPolarHBondContact O-CG2 3.31Å; R445-T449 PolarHBondContact O-N 2.93Å; R445-T449 PolarHBondContact O-OG1 3.19Å; K446-T449 PolarHBondContact O-OG1 2.82Å; T449-L451 PolarHBondContact O-N 3.42Å; T449-T452 PolarHBondContact O-N 3.44Å; T449-T452 PolarHBondContact O-OG1 3.47Å
450	H	43.8	Very low	41.9	Very low	159 Å²	159	131.3 Å²	131.3	74%	0.736	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-73.1	-7.3	176.2	-36.4	-63.8	0	0	0	113.6	Y448	Y448-H450 PolarHBondContact O-N 3.21Å; Y448-H450 VanDerWaalsContact O-N 3.14Å
451	L	40.9	Very low	41.5	Very low	134 Å²	134	129.2 Å²	129.2	70%	0.702	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-111.5	10.4	-179.6	-67.1	162.1	0	0	0	111.6	Y448 T449	Y448-L451 HydrophobicContact CD1-CD1 3.62Å; Y448-L451 HydrophobicContact CE1-CD1 4.27Å; Y448-L451 HydrophobicContact CG-CD1 4.4Å; Y448-L451 WeakPolarHBondContact O-CA 3.17Å; Y448-L451 WeakPolarHBondContact O-CB 3.21Å; Y448-L451 PolarHBondContact O-N 2.82Å; T449-L451 PolarHBondContact O-N 3.42Å
452	T	35.9	Very low	41.1	Very low	106 Å²	106	133.9 Å²	133.9	65%	0.65	70%	0.702	S	S	*	*			trans	-138.1	49.6	-177.3	59.2	0	0	0	0	112.5	T449	T449-T452 PolarHBondContact O-N 3.44Å; T449-T452 PolarHBondContact O-OG1 3.47Å
453	E	36.3	Very low	40.6	Very low	161 Å²	161	133.4 Å²	133.4	75%	0.752	71%	0.711	S	S	*	*			trans	-123.9	121.3	161.8	-74	-171.6	170.6	0	0	109.2	R455	E453-R455 PolarHBondContact O-N 3.16Å
454	P	34.4	Very low	40.7	Very low	126 Å²	126	136 Å²	136	82%	0.818	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-79.9	117.8	-179.2	30.9	-32.5	0	0	0	110.9
455	R	36.7	Very low	40.4	Very low	232 Å²	232	136.9 Å²	136.9	88%	0.875	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-96.2	132.2	166.7	-71.4	-171	174.7	-163.5	-2.6	110.2	E453	E453-R455 PolarHBondContact O-N 3.16Å
456	H	36.6	Very low	39.7	Very low	197 Å²	197	134.6 Å²	134.6	91%	0.912	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-73	132.3	179.9	-67.2	-102.2	0	0	0	112.1
457	S	37.1	Very low	39.3	Very low	108 Å²	108	132.7 Å²	132.7	76%	0.755	73%	0.734	S	S	*	*			trans	-159.7	96.1	153.1	58.6	0	0	0	0	112
458	S	38.4	Very low	39.2	Very low	107 Å²	107	132.7 Å²	132.7	75%	0.748	74%	0.736	S	S	*	*			trans	22.2	131.4	147.9	55	0	0	0	0	122.7
459	S	39.8	Very low	39	Very low	99 Å²	99	132.3 Å²	132.3	69%	0.692	75%	0.752	S	S	*	*			trans	93.5	126.6	136.6	75.3	0	0	0	0	121.3
460	N	38.3	Very low	38.6	Very low	167 Å²	167	132.1 Å²	132.1	89%	0.893	76%	0.763	S	S	*	*			trans	58.4	118.5	147.6	-51.5	-8.9	0	0	0	119.4
461	G	36	Very low	38.3	Very low	69 Å²	69	133.8 Å²	133.8	71%	0.711	77%	0.771	S	S	*	*			cis	157.4	158.4	-8.4	0	0	0	0	0	112.9
462	V	40.2	Very low	38.2	Very low	154 Å²	154	132.3 Å²	132.3	93%	0.933	77%	0.772	S	S	*	*			trans	62.3	127.7	166.5	-169.6	0	0	0	0	116
463	A	41.4	Very low	38.1	Very low	81 Å²	81	133.3 Å²	133.3	67%	0.669	78%	0.778	S	S	*	*			cis	-163.1	-160.6	-16.4	0	0	0	0	0	106
464	H	43.4	Very low	38.2	Very low	175 Å²	175	129.9 Å²	129.9	81%	0.81	78%	0.777	S	S	*	*			cis	-156	142.5	-2.5	-149.5	-69.8	0	0	0	108.3
465	P	39.2	Very low	38.4	Very low	104 Å²	104	132.1 Å²	132.1	68%	0.675	78%	0.777	S	S	*	*			trans	-112.9	149.7	-173.2	38.9	-32.4	0	0	0	115.7
466	T	39.5	Very low	38.3	Very low	138 Å²	138	127.6 Å²	127.6	85%	0.847	77%	0.769	S	S	*	*			trans	166.2	160.6	152.9	34.9	0	0	0	0	108
467	N	40.1	Very low	38.3	Very low	121 Å²	121	126.5 Å²	126.5	65%	0.647	76%	0.764	S	S	*	*			cis	-146.8	178.2	5.1	-147.7	20.8	0	0	0	114.2
468	E	39.7	Very low	38.1	Very low	156 Å²	156	127.8 Å²	127.8	73%	0.729	76%	0.763	S	S	*	*			trans	-30.3	174.6	160.2	-63.9	160.7	145.9	0	0	118.5
469	S	35.8	Very low	37.9	Very low	117 Å²	117	133.6 Å²	133.6	82%	0.818	77%	0.768	S	S	*	*			cis	170.1	156.2	-31.5	77.4	0	0	0	0	107.8
470	G	38	Very low	37.4	Very low	63 Å²	63	137.6 Å²	137.6	65%	0.649	77%	0.773	S	S	*	*			trans	149.4	121	178.1	0	0	0	0	0	110.9
471	Q	37.3	Very low	37.3	Very low	195 Å²	195	137.6 Å²	137.6	91%	0.911	77%	0.771	S	S	*	*				55.6	129.9	69.7	-58.3	-165.3	14.8	0	0	112.5
472	S	38	Very low	37.1	Very low	102 Å²	102	140.8 Å²	140.8	71%	0.713	77%	0.772	S	S	*	*			cis	-155.9	-171.9	30.5	-161.1	0	0	0	0	114.7
473	T	35	Very low	36.5	Very low	128 Å²	128	138 Å²	138	79%	0.785	76%	0.76	S	S	*	*			trans	-33.7	158.5	169.3	60	0	0	0	0	116.3
474	A	37.9	Very low	35.9	Very low	88 Å²	88	140.6 Å²	140.6	73%	0.727	77%	0.767	S	S	*	*			cis	-163.4	-164.4	39.7	0	0	0	0	0	111.2
475	Q	38.9	Very low	35.3	Very low	173 Å²	173	137.7 Å²	137.7	81%	0.808	77%	0.767	S	S	*	*			cis	-147.5	-99.3	1.3	-158.6	-179.7	53.6	0	0	114.1
476	L	34.5	Very low	34.9	Very low	137 Å²	137	137.2 Å²	137.2	72%	0.717	77%	0.766	S	S	*	*			trans	-150.4	145.5	-163.1	-74.8	161.2	0	0	0	112.2
477	H	36.8	Very low	34.3	Very low	174 Å²	174	136.4 Å²	136.4	81%	0.806	77%	0.766	S	S	*	*				-169.2	144.2	107.3	-120	-73.3	0	0	0	114
478	D	31.3	Very low	33.8	Very low	136 Å²	136	139.8 Å²	139.8	73%	0.727	77%	0.769	S	S	*	*			trans	-116.9	145	174.8	-179	21.2	0	0	0	110.5
479	R	35.5	Very low	33.2	Very low	228 Å²	228	142.3 Å²	142.3	86%	0.86	78%	0.778	S	S	*	*			trans	-156.1	118.2	167.4	-76.6	-158.3	175.2	-175.6	-1.1	111.9
480	K	28.5	Very low	32.8	Very low	183 Å²	183	146.1 Å²	146.1	80%	0.796	78%	0.776	S	S	*	*			trans	-74.8	153.8	159.3	-67.4	175.8	178	174.1	0	111.3
481	I	36.9	Very low	32.2	Very low	167 Å²	167	147.6 Å²	147.6	86%	0.856	78%	0.782	S	S	*	*			trans	-136.2	147.5	154	-64.4	-174.4	0	0	0	107.9
482	D	30.6	Very low	31.8	Very low	137 Å²	137	145.1 Å²	145.1	73%	0.733	77%	0.773	S	S	*	*			trans	-90.7	168	-163.2	-79.8	-65.7	0	0	0	117.1
483	S	28.5	Very low	31.4	Very low	96 Å²	96	145.8 Å²	145.8	67%	0.671	77%	0.774	S	S	*	*			trans	12.9	135.1	156	65.9	0	0	0	0	119.6
484	T	29.3	Very low	31.1	Very low	134 Å²	134	146.1 Å²	146.1	82%	0.822	78%	0.778	S	S	*	*				-174	172.3	90.6	28	0	0	0	0	113.4
485	S	29.7	Very low	30.9	Very low	115 Å²	115	146.5 Å²	146.5	80%	0.804	78%	0.775	S	S	*	*			trans	101	138.5	151.5	-157.3	0	0	0	0	120.9
486	S	31	Very low	30.3	Very low	94 Å²	94	142.6 Å²	142.6	66%	0.657	78%	0.782	S	S	*	*			trans	67.5	73	157.8	-120.9	0	0	0	0	121.1	R488	S486-R488 PolarHBondContact O-N 2.92Å
487	S	27	Very low	30	Very low	120 Å²	120	146.8 Å²	146.8	84%	0.839	79%	0.788	S	S	*	*			trans	-82.1	79	163.4	47.6	0	0	0	0	113.1	K489	S487-K489 PolarHBondContact O-N 3.12Å
488	R	29.8	Very low	29.4	Very low	192 Å²	192	147.2 Å²	147.2	73%	0.725	79%	0.79	S	S	*	*			trans	-74.6	104.4	173.1	-74	-169.1	178.8	-170	-0.3	112.1	S486 Y490	S486-R488 PolarHBondContact O-N 2.92Å; R488-Y490 HydrophobicContact CB-CE2 4.17Å; R488-Y490 PolarHBondContact O-N 2.76Å
489	K	27.1	Very low	29.3	Very low	209 Å²	209	148.4 Å²	148.4	91%	0.909	80%	0.795	S	S	*	*			trans	-69.6	116.6	169.6	-65.6	174.4	-179.1	172.8	0	110.2	S487	S487-K489 PolarHBondContact O-N 3.12Å
490	Y	27.3	Very low	28.8	Very low	197 Å²	197	148.4 Å²	148.4	77%	0.773	80%	0.795	S	S	*	*			trans	-95.1	114.8	164.2	-76.7	-91.1	0	0	0	109.4	R488	R488-Y490 HydrophobicContact CB-CE2 4.17Å; R488-Y490 PolarHBondContact O-N 2.76Å
491	A	25.8	Very low	28.7	Very low	95 Å²	95	145.8 Å²	145.8	79%	0.785	80%	0.797	S	S	*	*			trans	-94.4	121.6	170.8	0	0	0	0	0	109.1
492	I	28.4	Very low	28.4	Very low	142 Å²	142	153.1 Å²	153.1	73%	0.728	81%	0.814	S	S	*	*			trans	-105.1	116.9	174.9	-61.6	174.1	0	0	0	107.5
493	T	30.7	Very low	28.3	Very low	117 Å²	117	153.9 Å²	153.9	72%	0.718	82%	0.818	S	S	*	*			trans	-107.3	121.1	-179.9	45.1	0	0	0	0	111.6	S495	T493-S495 PolarHBondContact O-N 3.36Å
494	P	28.5	Very low	28.3	Very low	134 Å²	134	156.9 Å²	156.9	87%	0.87	83%	0.826	S	S	*	*			trans	-87.1	89	-178	33.6	-33.9	0	0	0	112.2
495	S	32.2	Very low	28.3	Very low	97 Å²	97	158.2 Å²	158.2	68%	0.678	83%	0.826	S	S	*	*			trans	-160.3	76.3	171.2	48	0	0	0	0	114.5	T493 R497	T493-S495 PolarHBondContact O-N 3.36Å; S495-R497 PolarHBondContact O-N 3.31Å
496	G	26.6	Very low	28.2	Very low	91 Å²	91	160.8 Å²	160.8	94%	0.938	83%	0.827	S	S	*	*			trans	-71.2	52.5	172	0	0	0	0	0	115
497	R	28.7	Very low	28	Very low	225 Å²	225	164.9 Å²	164.9	85%	0.849	84%	0.838	S	S	*	*			trans	-132.6	102	173.8	-82.7	-167.6	174.7	-167.6	-0.6	112	S495	S495-R497 PolarHBondContact O-N 3.31Å
498	Q	23.9	Very low	28.1	Very low	183 Å²	183	167.9 Å²	167.9	86%	0.855	84%	0.838	S	S	*	*			trans	-74.4	134	154.7	-68.7	-173.2	-0.9	0	0	109.5
499	L	29.3	Very low	27.9	Very low	160 Å²	160	166.2 Å²	166.2	84%	0.838	85%	0.846	S	S	*	*			trans	-123.5	131.3	155.8	-71.3	174.6	0	0	0	107
500	R	25.4	Very low	28	Very low	228 Å²	228	162.9 Å²	162.9	86%	0.86	84%	0.841	S	S	*	*			trans	-75.9	149.5	180	-69.1	-173.4	179.7	-164.9	0.8	110.5
501	P	26.4	Very low	28.1	Very low	128 Å²	128	160.1 Å²	160.1	83%	0.831	85%	0.847	S	S	*	*			trans	-69.3	144.6	179	29.3	-35.7	0	0	0	112.5
502	R	30.9	Very low	28.3	Very low	321 Å²	321	166 Å²	166	100%	1.211	85%	0.852	S	S	*	*			trans	-149.6	0	153.1	-100	-165	174	-162.2	-2	108.1

Retrieved 502 of 502 residues in 197.9 ms (Link to these results)

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