A0A077ZB61_TRITR Loading...

3-hydroxyisobutyryl-CoA hydrolase, mitochondrial

Hydrolyzes 3-hydroxyisobutyryl-CoA (HIBYL-CoA), a saline catabolite. Has high activity toward isobutyryl-CoA. Could be an isobutyryl-CoA dehydrogenase that functions in valine catabolism. Also hydrolyzes 3-hydroxypropanoyl-CoA.

AlphaFold DB , UniProt , Accession A0A077ZB61, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 360 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	32.2	Very low	52.6	Low	239 Å²	239	133.7 Å²	133.7	100%	1.177	68%	0.676	S	S	*	*				0	110.2	0	-84.3	179.9	176.8	0	0	108.7	R3	M1-R3 PolarHBondContact O-N 3.43Å; M1-R3 VanDerWaalsContact O-N 3.14Å
2	A	32.8	Very low	56	Low	100 Å²	100	127.8 Å²	127.8	83%	0.826	65%	0.647	S	S	*	*			trans	-65.2	109.2	173	0	0	0	0	0	108.7	R4	A2-R4 PolarHBondContact O-N 3.32Å; A2-R4 VanDerWaalsContact O-N 3.1Å
3	R	35.4	Very low	59.1	Low	197 Å²	197	118 Å²	118	74%	0.743	60%	0.598	S	S	*	*			trans	-65.3	111.2	169.9	-74.8	-176.8	176.4	-163.2	-1.6	106.5	M1 R5	M1-R3 PolarHBondContact O-N 3.43Å; M1-R3 VanDerWaalsContact O-N 3.14Å; R3-R5 PolarHBondContact O-N 3.17Å
4	R	37.8	Very low	61.8	Low	206 Å²	206	112.3 Å²	112.3	78%	0.777	57%	0.569	S	S	*	*			trans	-54.6	124.5	178.1	-78.1	178.7	173.1	-173.6	-3.3	109	A2 H6	A2-R4 PolarHBondContact O-N 3.32Å; A2-R4 VanDerWaalsContact O-N 3.1Å; R4-H6 WeakPolarHBondContact CB-NE2 3.4Å; R4-H6 PolarHBondContact O-CD2 3.34Å; R4-H6 VanDerWaalsContact O-CD2 3.31Å; R4-H6 PolarHBondContact O-N 3.38Å; R4-H6 VanDerWaalsContact O-N 3.09Å
5	R	39.7	Very low	64.2	Low	183 Å²	183	105.5 Å²	105.5	69%	0.691	54%	0.536	S	S	*	.			trans	-65.2	104.1	165.8	-75.1	177.5	171.7	179	-4.1	107.3	R3 E18	R3-R5 PolarHBondContact O-N 3.17Å; R5-E18 IonicContact NE-OE2 3.27Å
6	H	51.1	Low	66.1	Low	111 Å²	111	105.9 Å²	105.9	51%	0.514	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	103.6	169.2	-68.9	-74.3	0	0	0	107.3	R4	R4-H6 WeakPolarHBondContact CB-NE2 3.4Å; R4-H6 PolarHBondContact O-CD2 3.34Å; R4-H6 VanDerWaalsContact O-CD2 3.31Å; R4-H6 PolarHBondContact O-N 3.38Å; R4-H6 VanDerWaalsContact O-N 3.09Å
7	S	51.4	Low	67.8	Low	80 Å²	80	102.5 Å²	102.5	56%	0.559	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	110.6	160.4	57.6	0	0	0	0	107.4	V15	S7-V15 VanDerWaalsContact CA-O 3.32Å; S7-V15 WeakPolarHBondContact CA-O 3.07Å
8	N	71.8	Confident	69.1	Low	101 Å²	101	100.9 Å²	100.9	54%	0.54	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.9	172.9	-69.4	-10.1	0	0	0	108.2	V15	N8-V15 PolarHBondContact N-O 3.25Å; N8-V15 VanDerWaalsContact N-O 3.15Å; N8-V15 PolarHBondContact O-N 2.89Å; N8-V15 VanDerWaalsContact O-N 3.13Å
9	L	65.5	Low	70.2	Confident	129 Å²	129	97.4 Å²	97.4	68%	0.675	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	119.5	168.9	-80	153.3	0	0	0	108	I14	L9-I14 HydrophobicContact CD2-CD1 4.45Å; L9-I14 HydrophobicContact CD2-CG1 3.71Å
10	L	76	Confident	71.3	Confident	70 Å²	70	93.3 Å²	93.3	37%	0.366	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	83.4	166.5	-84	142.4	0	0	0	106.3	D12 V13 V15	L10-D12 PolarHBondContact O-N 3.47Å; L10-D12 VanDerWaalsContact O-N 3.14Å; L10-V13 PolarHBondContact N-O 2.73Å; L10-V13 PolarHBondContact O-N 3.47Å; L10-V15 HydrophobicContact CD1-CG2 3.89Å
11	G	84.6	Confident	72.4	Confident	55 Å²	55	89.3 Å²	89.3	57%	0.567	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	-120.9	-173.4	0	0	0	0	0	112.1	V13	G11-V13 PolarHBondContact O-N 2.88Å
12	D	93.5	Very high	75.4	Confident	62 Å²	62	79.2 Å²	79.2	33%	0.332	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	10.6	-179.5	-69	-31.2	0	0	0	113.9	L10 N27 R28 M39	L10-D12 PolarHBondContact O-N 3.47Å; L10-D12 VanDerWaalsContact O-N 3.14Å; D12-N27 WeakPolarHBondContact O-CA 3.49Å; D12-N27 WeakPolarHBondContact O-CB 3.47Å; D12-N27 PolarHBondContact O-N 3.12Å; D12-R28 HydrophobicContact CB-CG 3.68Å; D12-R28 VanDerWaalsContact OD2-CD 3.31Å; D12-R28 WeakPolarHBondContact OD2-CD 3.37Å; D12-R28 IonicContact OD2-NE 3.68Å; D12-M39 HydrophobicContact CB-CG 3.74Å; D12-M39 HydrophobicContact CB-SD 3.95Å
13	V	96.2	Very high	78.5	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.006	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.6	176.9	-177.7	0	0	0	0	109.9	L10 G11 V15 I24 T25 M39 L43	L10-V13 PolarHBondContact N-O 2.73Å; L10-V13 PolarHBondContact O-N 3.47Å; G11-V13 PolarHBondContact O-N 2.88Å; V13-V15 HydrophobicContact CG1-CG2 4.24Å; V13-I24 HydrophobicContact CG1-CG2 3.55Å; V13-T25 WeakPolarHBondContact CA-O 3.33Å; V13-M39 HydrophobicContact CG2-CG 4.41Å; V13-L43 HydrophobicContact CG1-CD2 4.15Å; V13-L43 HydrophobicContact CG2-CD2 4.36Å; V13-L43 HydrophobicContact CG2-CG 4.32Å
14	I	97	Very high	81.5	Confident	38 Å²	38	65.4 Å²	65.4	20%	0.195	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	128.8	174.8	-60	167.6	0	0	0	109.1	L9 I24 T25 N27	L9-I14 HydrophobicContact CD2-CD1 4.45Å; L9-I14 HydrophobicContact CD2-CG1 3.71Å; I14-I24 WeakPolarHBondContact O-CA 3.38Å; I14-T25 PolarHBondContact N-O 3.46Å; I14-T25 PolarHBondContact O-N 3.42Å; I14-N27 HydrophobicContact CD1-CB 3.82Å; I14-N27 VanDerWaalsContact CD1-CG 3.49Å; I14-N27 HydrophobicContact CG1-CB 4.01Å
15	V	97.2	Very high	84.3	Confident	11 Å²	11	56.4 Å²	56.4	7%	0.067	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.4	177.7	-173	0	0	0	0	110.7	S7 N8 L10 V13 G23 L46	S7-V15 VanDerWaalsContact CA-O 3.32Å; S7-V15 WeakPolarHBondContact CA-O 3.07Å; N8-V15 PolarHBondContact N-O 3.25Å; N8-V15 VanDerWaalsContact N-O 3.15Å; N8-V15 PolarHBondContact O-N 2.89Å; N8-V15 VanDerWaalsContact O-N 3.13Å; L10-V15 HydrophobicContact CD1-CG2 3.89Å; V13-V15 HydrophobicContact CG1-CG2 4.24Å; V15-G23 CarbonylContact C-O 3.51Å; V15-G23 WeakPolarHBondContact CA-O 3.22Å; V15-L46 HydrophobicContact CG1-CD1 4.43Å; V15-L46 HydrophobicContact CG1-CD2 4.48Å; V15-L46 HydrophobicContact CG2-CD1 4.36Å; V15-L46 HydrophobicContact CG2-CD2 3.48Å; V15-L46 VanDerWaalsContact CG2-CD2 3.48Å
16	K	95.5	Very high	87.1	Confident	112 Å²	112	47.7 Å²	47.7	49%	0.487	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.4	169.4	-67.3	179.9	-176.8	171.8	0	109.3	G23	K16-G23 PolarHBondContact N-O 2.72Å; K16-G23 PolarHBondContact O-N 2.95Å
17	A	94	Very high	89.4	Confident	47 Å²	47	45 Å²	45	39%	0.388	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.1	178	0	0	0	0	0	111.6	K21 F22	A17-K21 WeakPolarHBondContact CA-O 3.25Å; A17-F22 HydrophobicContact CB-CD1 3.88Å; A17-F22 HydrophobicContact CB-CE1 3.96Å
18	E	91.6	Very high	91.5	Very high	74 Å²	74	42.8 Å²	42.8	35%	0.346	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	127.6	175.7	-172.1	168.2	-178.4	0	0	110.8	R5 G20 K21	R5-E18 IonicContact NE-OE2 3.27Å; E18-G20 VanDerWaalsContact C-N 3.25Å; E18-G20 PolarHBondContact O-N 3.27Å; E18-G20 VanDerWaalsContact O-N 3.11Å; E18-K21 PolarHBondContact N-O 2.72Å; E18-K21 VanDerWaalsContact O-CB 3.31Å; E18-K21 WeakPolarHBondContact O-CB 3.47Å; E18-K21 PolarHBondContact O-N 2.76Å
19	G	90.8	Very high	92.7	Very high	34 Å²	34	40.5 Å²	40.5	35%	0.351	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	24.1	171.5	0	0	0	0	0	116.5
20	G	92.4	Very high	94.2	Very high	15 Å²	15	40.8 Å²	40.8	16%	0.155	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	11.1	-173.3	0	0	0	0	0	113.7	E18 F22 A56 K57	E18-G20 VanDerWaalsContact C-N 3.25Å; E18-G20 PolarHBondContact O-N 3.27Å; E18-G20 VanDerWaalsContact O-N 3.11Å; G20-F22 WeakPolarHBondContact O-CE2 3.4Å; G20-A56 CarbonylContact O-C 3.47Å; G20-A56 WeakPolarHBondContact O-CA 3.36Å; G20-K57 PolarHBondContact O-N 3.25Å
21	K	93.9	Very high	95.1	Very high	10 Å²	10	40.2 Å²	40.2	4%	0.043	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.2	178.2	-54.3	167.2	173.1	-171.5	0	109.9	A17 E18 K57 L58 L209 M210 G212	A17-K21 WeakPolarHBondContact CA-O 3.25Å; E18-K21 PolarHBondContact N-O 2.72Å; E18-K21 VanDerWaalsContact O-CB 3.31Å; E18-K21 WeakPolarHBondContact O-CB 3.47Å; E18-K21 PolarHBondContact O-N 2.76Å; K21-K57 HydrophobicContact CG-CB 4.36Å; K21-L58 WeakPolarHBondContact CA-O 3.32Å; K21-L58 HydrophobicContact CB-CB 4.3Å; K21-L58 HydrophobicContact CG-CB 4.06Å; K21-L209 WeakPolarHBondContact CD-O 3.42Å; K21-L209 WeakPolarHBondContact CE-O 3.4Å; K21-L209 PolarHBondContact NZ-O 3.1Å; K21-M210 HydrophobicContact CB-CE 4.05Å; K21-M210 HydrophobicContact CB-SD 4.14Å; K21-M210 WeakPolarHBondContact CD-O 3.45Å; K21-M210 VanDerWaalsContact NZ-C 3.28Å; K21-M210 PolarHBondContact NZ-O 2.88Å; K21-G212 WeakPolarHBondContact CE-O 3.5Å; K21-G212 VanDerWaalsContact NZ-C 3.33Å; K21-G212 VanDerWaalsContact NZ-N 3.18Å; K21-G212 PolarHBondContact NZ-O 3.48Å
22	F	96	Very high	95.7	Very high	28 Å²	28	40.3 Å²	40.3	12%	0.123	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	110.2	-171.7	-58.2	-92.5	0	0	0	109.6	A17 G20 I50 A56 L58 I59 L60	A17-F22 HydrophobicContact CB-CD1 3.88Å; A17-F22 HydrophobicContact CB-CE1 3.96Å; G20-F22 WeakPolarHBondContact O-CE2 3.4Å; F22-I50 HydrophobicContact CB-CD1 3.79Å; F22-I50 HydrophobicContact CD1-CD1 3.81Å; F22-I50 HydrophobicContact CD1-CG1 3.92Å; F22-I50 HydrophobicContact CD2-CD1 4.05Å; F22-I50 HydrophobicContact CD2-CG1 4.03Å; F22-I50 HydrophobicContact CD2-CG2 3.76Å; F22-I50 HydrophobicContact CE1-CD1 4.41Å; F22-I50 HydrophobicContact CE1-CG1 4Å; F22-I50 HydrophobicContact CE2-CG1 4.12Å; F22-I50 HydrophobicContact CE2-CG2 3.82Å; F22-I50 HydrophobicContact CG-CD1 3.6Å; F22-I50 HydrophobicContact CG-CG1 3.93Å; F22-I50 HydrophobicContact CG-CG2 4.43Å; F22-I50 HydrophobicContact CZ-CG1 4.1Å; F22-A56 HydrophobicContact CE2-CB 3.8Å; F22-L58 PolarHBondContact N-O 3.19Å; F22-I59 WeakPolarHBondContact O-CA 3.42Å; F22-L60 PolarHBondContact O-N 3.17Å
23	G	96.4	Very high	95.9	Very high	6 Å²	6	37.4 Å²	37.4	6%	0.062	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	116.5	168.4	0	0	0	0	0	109.4	V15 K16	V15-G23 CarbonylContact C-O 3.51Å; V15-G23 WeakPolarHBondContact CA-O 3.22Å; K16-G23 PolarHBondContact N-O 2.72Å; K16-G23 PolarHBondContact O-N 2.95Å
24	I	98.2	Very high	95.9	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.2	-178.7	-54.9	175.6	0	0	0	107.6	V13 I14 L43 L46 L47 I50 I59 L60 L61 K62	V13-I24 HydrophobicContact CG1-CG2 3.55Å; I14-I24 WeakPolarHBondContact O-CA 3.38Å; I24-L43 HydrophobicContact CG2-CD2 3.87Å; I24-L46 HydrophobicContact CD1-CD2 3.68Å; I24-L46 HydrophobicContact CD1-CG 4.4Å; I24-L46 HydrophobicContact CG1-CD2 4.02Å; I24-L46 HydrophobicContact CG2-CD2 4.38Å; I24-L47 HydrophobicContact CD1-CD2 3.9Å; I24-I50 HydrophobicContact CD1-CD1 4.28Å; I24-I59 HydrophobicContact CD1-CG2 3.72Å; I24-I59 HydrophobicContact CG1-CG2 4.44Å; I24-L60 PolarHBondContact N-O 3.06Å; I24-L61 HydrophobicContact CB-CD1 3.84Å; I24-L61 HydrophobicContact CG2-CD1 3.58Å; I24-L61 WeakPolarHBondContact O-CA 3.39Å; I24-K62 PolarHBondContact O-N 2.74Å
25	T	98.4	Very high	95.9	Very high	17 Å²	17	36 Å²	36	10%	0.104	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.9	177.9	-55.8	0	0	0	0	109.9	V13 I14 N27 K62 A64	V13-T25 WeakPolarHBondContact CA-O 3.33Å; I14-T25 PolarHBondContact N-O 3.46Å; I14-T25 PolarHBondContact O-N 3.42Å; T25-N27 PolarHBondContact O-N 3.25Å; T25-K62 CarbonylContact C-O 3.53Å; T25-K62 VanDerWaalsContact CA-O 3.31Å; T25-K62 WeakPolarHBondContact CA-O 3.36Å; T25-K62 HydrophobicContact CG2-CG 4.23Å; T25-K62 WeakPolarHBondContact OG1-CE 3.39Å; T25-A64 HydrophobicContact CG2-CB 3.82Å
26	L	98.5	Very high	95.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	121.2	167.4	-52	175.9	0	0	0	107.9	N33 L35 M39 L43 L61 K62 A64 C70 L130	L26-N33 HydrophobicContact CB-CB 4.06Å; L26-N33 PolarHBondContact O-OD1 3.24Å; L26-N33 VanDerWaalsContact O-OD1 3.1Å; L26-L35 HydrophobicContact CD1-CD2 4.49Å; L26-M39 HydrophobicContact CB-CE 4.06Å; L26-M39 HydrophobicContact CD2-CE 3.88Å; L26-M39 HydrophobicContact CG-CE 4.48Å; L26-L43 HydrophobicContact CD2-CD1 3.91Å; L26-L43 HydrophobicContact CD2-CD2 4.44Å; L26-L61 HydrophobicContact CD2-CD1 4.08Å; L26-L61 HydrophobicContact CG-CD1 4.06Å; L26-K62 PolarHBondContact N-O 2.68Å; L26-A64 WeakPolarHBondContact O-CB 3.49Å; L26-A64 PolarHBondContact O-N 3.34Å; L26-C70 HydrophobicContact CD1-CB 3.82Å; L26-L130 HydrophobicContact CD1-CD1 3.83Å; L26-L130 HydrophobicContact CD2-CD1 4.3Å
27	N	97.7	Very high	95.6	Very high	55 Å²	55	32.5 Å²	32.5	29%	0.294	19%	0.189	S	C	.	.			trans	-124.2	61.2	-165.2	-170.5	56.8	0	0	0	113.1	D12 I14 T25 P29 A64	D12-N27 WeakPolarHBondContact O-CA 3.49Å; D12-N27 WeakPolarHBondContact O-CB 3.47Å; D12-N27 PolarHBondContact O-N 3.12Å; I14-N27 HydrophobicContact CD1-CB 3.82Å; I14-N27 VanDerWaalsContact CD1-CG 3.49Å; I14-N27 HydrophobicContact CG1-CB 4.01Å; T25-N27 PolarHBondContact O-N 3.25Å; N27-P29 VanDerWaalsContact C-CD 3.43Å; N27-A64 HydrophobicContact CB-CB 4.27Å; N27-A64 VanDerWaalsContact OD1-CB 3.27Å; N27-A64 WeakPolarHBondContact OD1-CB 3.24Å
28	R	96.8	Very high	95.6	Very high	33 Å²	33	35.1 Å²	35.1	13%	0.125	19%	0.194	C	C	.	.			trans	-129.9	54.8	168.3	-56.9	177.5	70.3	-145.2	7.9	111.1	D12 E30 V31 L32 N33 A34 M39 D74	D12-R28 HydrophobicContact CB-CG 3.68Å; D12-R28 VanDerWaalsContact OD2-CD 3.31Å; D12-R28 WeakPolarHBondContact OD2-CD 3.37Å; D12-R28 IonicContact OD2-NE 3.68Å; R28-E30 VanDerWaalsContact C-OE2 3.26Å; R28-E30 WeakPolarHBondContact CA-OE1 3.43Å; R28-E30 PolarHBondContact O-N 3.03Å; R28-E30 VanDerWaalsContact O-N 3.13Å; R28-V31 HydrophobicContact CB-CG2 3.73Å; R28-V31 VanDerWaalsContact CZ-CG2 3.48Å; R28-V31 CarbonylContact O-C 3.31Å; R28-V31 PolarHBondContact O-N 3.44Å; R28-V31 VanDerWaalsContact O-N 3.08Å; R28-L32 PolarHBondContact O-N 2.82Å; R28-N33 PolarHBondContact N-OD1 2.93Å; R28-N33 WeakPolarHBondContact O-CA 3.49Å; R28-N33 PolarHBondContact O-N 2.88Å; R28-N33 PolarHBondContact O-OD1 3.45Å; R28-A34 PolarHBondContact NH1-O 3.14Å; R28-M39 WeakPolarHBondContact CD-SD 3.39Å; R28-M39 HydrophobicContact CG-SD 4.15Å; R28-D74 IonicContact CZ-OD2 3.69Å; R28-D74 IonicContact NH1-OD2 2.6Å; R28-D74 PolarHBondContact NH1-OD2 2.71Å; R28-D74 IonicContact NH2-OD2 3.49Å; R28-D74 PolarHBondContact NH2-OD2 3.2Å
29	P	97	Very high	95.8	Very high	52 Å²	52	31.7 Å²	31.7	34%	0.338	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-60.8	-26.2	-169.9	25.4	-35.4	0	0	0	113.8	N27 V31 L32 N33 A64	N27-P29 VanDerWaalsContact C-CD 3.43Å; P29-V31 VanDerWaalsContact C-N 3.27Å; P29-V31 PolarHBondContact O-N 3.06Å; P29-L32 PolarHBondContact O-N 2.98Å; P29-N33 VanDerWaalsContact N-OD1 3.16Å; P29-A64 HydrophobicContact CB-CB 4.42Å; P29-A64 HydrophobicContact CG-CB 4.34Å
30	E	95.8	Very high	96.1	Very high	136 Å²	136	30.1 Å²	30.1	64%	0.636	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-64.6	-27.2	176.7	69.3	-66.6	156.4	0	0	113.8	R28	R28-E30 VanDerWaalsContact C-OE2 3.26Å; R28-E30 WeakPolarHBondContact CA-OE1 3.43Å; R28-E30 PolarHBondContact O-N 3.03Å; R28-E30 VanDerWaalsContact O-N 3.13Å
31	V	95.4	Very high	96.3	Very high	58 Å²	58	32 Å²	32	35%	0.352	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-116.7	31.5	173.1	-66.4	0	0	0	0	111.7	R28 P29 N33 A34	R28-V31 HydrophobicContact CB-CG2 3.73Å; R28-V31 VanDerWaalsContact CZ-CG2 3.48Å; R28-V31 CarbonylContact O-C 3.31Å; R28-V31 PolarHBondContact O-N 3.44Å; R28-V31 VanDerWaalsContact O-N 3.08Å; P29-V31 VanDerWaalsContact C-N 3.27Å; P29-V31 PolarHBondContact O-N 3.06Å; V31-N33 PolarHBondContact O-N 3.47Å; V31-A34 HydrophobicContact CG2-CB 4.5Å; V31-A34 WeakPolarHBondContact O-CB 3.5Å; V31-A34 PolarHBondContact O-N 3.02Å
32	L	97.3	Very high	96.5	Very high	57 Å²	57	32.5 Å²	32.5	30%	0.298	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	35	175.4	-53.2	177.8	0	0	0	113.5	R28 P29 A34 K67 A68 A71 I122	R28-L32 PolarHBondContact O-N 2.82Å; P29-L32 PolarHBondContact O-N 2.98Å; L32-A34 PolarHBondContact O-N 2.94Å; L32-K67 HydrophobicContact CD2-CB 3.97Å; L32-K67 HydrophobicContact CD2-CD 4.41Å; L32-A68 HydrophobicContact CB-CB 3.71Å; L32-A68 HydrophobicContact CD2-CB 4.17Å; L32-A68 WeakPolarHBondContact O-CB 3.47Å; L32-A71 HydrophobicContact CB-CB 3.58Å; L32-A71 HydrophobicContact CD1-CB 4.18Å; L32-A71 PolarHBondContact O-N 3.23Å; L32-I122 HydrophobicContact CD1-CD1 4.07Å
33	N	98	Very high	96.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	33.7	-180	-58.7	-43.5	0	0	0	113.3	L26 R28 P29 V31 G63 A64 A68 F69 C70	L26-N33 HydrophobicContact CB-CB 4.06Å; L26-N33 PolarHBondContact O-OD1 3.24Å; L26-N33 VanDerWaalsContact O-OD1 3.1Å; R28-N33 PolarHBondContact N-OD1 2.93Å; R28-N33 WeakPolarHBondContact O-CA 3.49Å; R28-N33 PolarHBondContact O-N 2.88Å; R28-N33 PolarHBondContact O-OD1 3.45Å; P29-N33 VanDerWaalsContact N-OD1 3.16Å; V31-N33 PolarHBondContact O-N 3.47Å; N33-G63 WeakPolarHBondContact ND2-CA 3.47Å; N33-A64 PolarHBondContact ND2-N 3.06Å; N33-A64 PolarHBondContact ND2-O 3.23Å; N33-A68 PolarHBondContact ND2-O 2.9Å; N33-F69 WeakPolarHBondContact CB-O 3.47Å; N33-F69 PolarHBondContact ND2-O 3.01Å; N33-C70 PolarHBondContact O-SG 3.19Å
34	A	96.4	Very high	96.6	Very high	10 Å²	10	31.7 Å²	31.7	8%	0.083	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-59	142.2	176.7	0	0	0	0	0	112.1	R28 V31 L32 G72 D74	R28-A34 PolarHBondContact NH1-O 3.14Å; V31-A34 HydrophobicContact CG2-CB 4.5Å; V31-A34 WeakPolarHBondContact O-CB 3.5Å; V31-A34 PolarHBondContact O-N 3.02Å; L32-A34 PolarHBondContact O-N 2.94Å; A34-G72 CarbonylContact C-O 3.52Å; A34-G72 VanDerWaalsContact CA-O 3.29Å; A34-G72 WeakPolarHBondContact CA-O 3.41Å; A34-D74 HydrophobicContact CB-CB 4.38Å
35	L	96	Very high	96.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-84.3	121.2	-174.2	-60.4	171.3	0	0	0	112	L26 M39 I40 C70 G72 D74 L130	L26-L35 HydrophobicContact CD1-CD2 4.49Å; L35-M39 HydrophobicContact CD2-CE 3.98Å; L35-I40 HydrophobicContact CB-CD1 4.32Å; L35-I40 HydrophobicContact CB-CG1 4.31Å; L35-C70 VanDerWaalsContact CG-SG 3.54Å; L35-G72 PolarHBondContact N-O 3.18Å; L35-D74 WeakPolarHBondContact O-CB 3.4Å; L35-D74 PolarHBondContact O-N 3.01Å; L35-L130 HydrophobicContact CD1-CD1 3.71Å; L35-L130 HydrophobicContact CD1-CG 3.95Å; L35-L130 HydrophobicContact CD2-CD1 3.49Å; L35-L130 VanDerWaalsContact CD2-CD1 3.49Å; L35-L130 HydrophobicContact CG-CD1 4.18Å
36	T	94	Very high	96.5	Very high	16 Å²	16	36 Å²	36	10%	0.098	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-91	163.2	166	67	0	0	0	0	110.3	Q38 M39 I40	T36-Q38 PolarHBondContact O-N 3.42Å; T36-M39 HydrophobicContact CG2-SD 4.49Å; T36-M39 PolarHBondContact O-N 3.3Å; T36-M39 WeakPolarHBondContact OG1-CG 3.49Å; T36-M39 PolarHBondContact OG1-N 2.88Å; T36-I40 WeakPolarHBondContact O-CG1 3.05Å; T36-I40 PolarHBondContact O-N 3.29Å; T36-I40 VanDerWaalsContact O-N 3.13Å
37	L	93.1	Very high	96.5	Very high	32 Å²	32	36.1 Å²	36.1	17%	0.168	19%	0.186	C	C	.	.	H	α-helix	trans	-54.5	-43.2	170.7	172.1	60.2	0	0	0	111.5	M39 I40 E41 L93 T96 L97 K100	L37-M39 PolarHBondContact O-N 2.63Å; L37-I40 WeakPolarHBondContact O-CB 3.31Å; L37-I40 PolarHBondContact O-N 3.45Å; L37-E41 HydrophobicContact CD1-CG 3.95Å; L37-E41 HydrophobicContact CG-CG 4.45Å; L37-E41 WeakPolarHBondContact O-CG 3.43Å; L37-E41 PolarHBondContact O-N 2.81Å; L37-L93 HydrophobicContact CD2-CD1 3.45Å; L37-L93 VanDerWaalsContact CD2-CD1 3.45Å; L37-T96 HydrophobicContact CD1-CG2 4.23Å; L37-T96 HydrophobicContact CD2-CG2 4.43Å; L37-L97 HydrophobicContact CB-CD1 4.33Å; L37-L97 HydrophobicContact CD1-CB 4.47Å; L37-K100 HydrophobicContact CD1-CB 4.35Å; L37-K100 HydrophobicContact CD1-CG 4.2Å
38	Q	94	Very high	96.5	Very high	103 Å²	103	37.7 Å²	37.7	48%	0.481	19%	0.191	S	C	.	.	H	α-helix	trans	-61	-44.2	-179.6	-173.2	62.5	59.5	0	0	111.8	T36 I40 E41 D42	T36-Q38 PolarHBondContact O-N 3.42Å; Q38-I40 VanDerWaalsContact C-N 3.32Å; Q38-I40 PolarHBondContact O-N 3.18Å; Q38-E41 PolarHBondContact O-N 3.15Å; Q38-D42 PolarHBondContact NE2-OD1 2.88Å; Q38-D42 WeakPolarHBondContact O-CB 3.36Å; Q38-D42 PolarHBondContact O-N 3.21Å
39	M	96.5	Very high	96.5	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-42.1	176.2	-72	173.2	73.3	0	0	112	D12 V13 L26 R28 L35 T36 L37 E41 D42 L43	D12-M39 HydrophobicContact CB-CG 3.74Å; D12-M39 HydrophobicContact CB-SD 3.95Å; V13-M39 HydrophobicContact CG2-CG 4.41Å; L26-M39 HydrophobicContact CB-CE 4.06Å; L26-M39 HydrophobicContact CD2-CE 3.88Å; L26-M39 HydrophobicContact CG-CE 4.48Å; R28-M39 WeakPolarHBondContact CD-SD 3.39Å; R28-M39 HydrophobicContact CG-SD 4.15Å; L35-M39 HydrophobicContact CD2-CE 3.98Å; T36-M39 HydrophobicContact CG2-SD 4.49Å; T36-M39 PolarHBondContact O-N 3.3Å; T36-M39 WeakPolarHBondContact OG1-CG 3.49Å; T36-M39 PolarHBondContact OG1-N 2.88Å; L37-M39 PolarHBondContact O-N 2.63Å; M39-E41 VanDerWaalsContact C-N 3.35Å; M39-D42 PolarHBondContact O-N 3.41Å; M39-L43 WeakPolarHBondContact O-CB 3.44Å; M39-L43 WeakPolarHBondContact O-CG 3.46Å; M39-L43 PolarHBondContact O-N 2.91Å
40	I	97.1	Very high	96.5	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-61.9	-45.2	178.1	-67.5	161.1	0	0	0	110.1	L35 T36 L37 Q38 L43 L44 L97 K100 E101 L104	L35-I40 HydrophobicContact CB-CD1 4.32Å; L35-I40 HydrophobicContact CB-CG1 4.31Å; T36-I40 WeakPolarHBondContact O-CG1 3.05Å; T36-I40 PolarHBondContact O-N 3.29Å; T36-I40 VanDerWaalsContact O-N 3.13Å; L37-I40 WeakPolarHBondContact O-CB 3.31Å; L37-I40 PolarHBondContact O-N 3.45Å; Q38-I40 VanDerWaalsContact C-N 3.32Å; Q38-I40 PolarHBondContact O-N 3.18Å; I40-L43 PolarHBondContact O-N 3.36Å; I40-L44 WeakPolarHBondContact O-CB 3.37Å; I40-L44 PolarHBondContact O-N 3.48Å; I40-L97 HydrophobicContact CD1-CG 4.39Å; I40-K100 HydrophobicContact CG2-CB 3.71Å; I40-E101 HydrophobicContact CD1-CB 4.07Å; I40-E101 HydrophobicContact CD1-CG 4.26Å; I40-E101 HydrophobicContact CG2-CB 4.33Å; I40-L104 HydrophobicContact CB-CD2 4.5Å; I40-L104 HydrophobicContact CG2-CB 4.42Å; I40-L104 HydrophobicContact CG2-CD2 4.06Å
41	E	96.1	Very high	96.5	Very high	54 Å²	54	34.9 Å²	34.9	25%	0.252	18%	0.176	S	C	.	.	H	α-helix	trans	-65.5	-43.5	178.1	-69.7	-173.1	141.6	0	0	112.4	L37 Q38 M39 L43 L44 I45 K100	L37-E41 HydrophobicContact CD1-CG 3.95Å; L37-E41 HydrophobicContact CG-CG 4.45Å; L37-E41 WeakPolarHBondContact O-CG 3.43Å; L37-E41 PolarHBondContact O-N 2.81Å; Q38-E41 PolarHBondContact O-N 3.15Å; M39-E41 VanDerWaalsContact C-N 3.35Å; E41-L43 PolarHBondContact O-N 2.69Å; E41-L44 PolarHBondContact O-N 3.46Å; E41-I45 WeakPolarHBondContact O-CG1 3.36Å; E41-I45 PolarHBondContact O-N 2.84Å; E41-K100 HydrophobicContact CG-CD 4.33Å; E41-K100 HydrophobicContact CG-CG 4.18Å
42	D	96.9	Very high	96.6	Very high	21 Å²	21	35.4 Å²	35.4	11%	0.112	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-44.6	177.1	-69.9	-18.8	0	0	0	111.1	Q38 M39 I45 L46	Q38-D42 PolarHBondContact NE2-OD1 2.88Å; Q38-D42 WeakPolarHBondContact O-CB 3.36Å; Q38-D42 PolarHBondContact O-N 3.21Å; M39-D42 PolarHBondContact O-N 3.41Å; D42-I45 PolarHBondContact O-N 2.94Å; D42-L46 WeakPolarHBondContact O-CB 3.43Å; D42-L46 PolarHBondContact O-N 3.37Å
43	L	98.2	Very high	96.5	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-41.6	175.1	-72.7	170	0	0	0	111.7	V13 I24 L26 M39 I40 E41 L46 L47 L104 L130	V13-L43 HydrophobicContact CG1-CD2 4.15Å; V13-L43 HydrophobicContact CG2-CD2 4.36Å; V13-L43 HydrophobicContact CG2-CG 4.32Å; I24-L43 HydrophobicContact CG2-CD2 3.87Å; L26-L43 HydrophobicContact CD2-CD1 3.91Å; L26-L43 HydrophobicContact CD2-CD2 4.44Å; M39-L43 WeakPolarHBondContact O-CB 3.44Å; M39-L43 WeakPolarHBondContact O-CG 3.46Å; M39-L43 PolarHBondContact O-N 2.91Å; I40-L43 PolarHBondContact O-N 3.36Å; E41-L43 PolarHBondContact O-N 2.69Å; L43-L46 PolarHBondContact O-N 3.43Å; L43-L47 VanDerWaalsContact O-CB 3.25Å; L43-L47 WeakPolarHBondContact O-CB 3.44Å; L43-L47 VanDerWaalsContact O-CG 3.25Å; L43-L47 WeakPolarHBondContact O-CG 3.33Å; L43-L47 PolarHBondContact O-N 2.86Å; L43-L104 HydrophobicContact CB-CD1 4.03Å; L43-L104 HydrophobicContact CB-CD2 3.83Å; L43-L104 HydrophobicContact CD1-CD2 4.08Å; L43-L130 HydrophobicContact CD1-CD1 4.1Å; L43-L130 HydrophobicContact CD1-CD2 4.26Å
44	L	97.2	Very high	96.3	Very high	14 Å²	14	47.2 Å²	47.2	7%	0.073	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-46.2	178.4	-172.1	69.6	0	0	0	111.1	I40 E41 K48 K100 L103 L104 L107	I40-L44 WeakPolarHBondContact O-CB 3.37Å; I40-L44 PolarHBondContact O-N 3.48Å; E41-L44 PolarHBondContact O-N 3.46Å; L44-K48 WeakPolarHBondContact O-CB 3.34Å; L44-K48 VanDerWaalsContact O-CG 3.3Å; L44-K48 WeakPolarHBondContact O-CG 3.44Å; L44-K48 PolarHBondContact O-N 2.84Å; L44-K100 HydrophobicContact CD2-CD 4.07Å; L44-L103 HydrophobicContact CD1-CB 4.31Å; L44-L104 HydrophobicContact CD1-CB 4.17Å; L44-L104 HydrophobicContact CD1-CD1 4.43Å; L44-L107 HydrophobicContact CD1-CB 4.47Å; L44-L107 HydrophobicContact CD1-CD2 3.91Å
45	I	96.9	Very high	96.2	Very high	94 Å²	94	50 Å²	50	48%	0.482	25%	0.25	S	C	.	.	H	α-helix	trans	-62	-50.5	177	-68.3	166.6	0	0	0	110.2	E41 D42 K48 Q49	E41-I45 WeakPolarHBondContact O-CG1 3.36Å; E41-I45 PolarHBondContact O-N 2.84Å; D42-I45 PolarHBondContact O-N 2.94Å; I45-K48 PolarHBondContact O-N 3.3Å; I45-Q49 WeakPolarHBondContact O-CG 3.48Å; I45-Q49 PolarHBondContact O-N 3.45Å
46	L	97.6	Very high	96.1	Very high	14 Å²	14	50.7 Å²	50.7	7%	0.073	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-49	-178.6	176.8	63.7	0	0	0	111.9	V15 I24 D42 L43 K48 Q49 I50	V15-L46 HydrophobicContact CG1-CD1 4.43Å; V15-L46 HydrophobicContact CG1-CD2 4.48Å; V15-L46 HydrophobicContact CG2-CD1 4.36Å; V15-L46 HydrophobicContact CG2-CD2 3.48Å; V15-L46 VanDerWaalsContact CG2-CD2 3.48Å; I24-L46 HydrophobicContact CD1-CD2 3.68Å; I24-L46 HydrophobicContact CD1-CG 4.4Å; I24-L46 HydrophobicContact CG1-CD2 4.02Å; I24-L46 HydrophobicContact CG2-CD2 4.38Å; D42-L46 WeakPolarHBondContact O-CB 3.43Å; D42-L46 PolarHBondContact O-N 3.37Å; L43-L46 PolarHBondContact O-N 3.43Å; L46-K48 VanDerWaalsContact C-N 3.34Å; L46-K48 PolarHBondContact O-N 3.14Å; L46-Q49 WeakPolarHBondContact O-CB 3.37Å; L46-Q49 PolarHBondContact O-N 2.91Å; L46-I50 HydrophobicContact CD1-CD1 3.93Å; L46-I50 HydrophobicContact CD1-CG1 4.33Å; L46-I50 HydrophobicContact CG-CD1 3.89Å; L46-I50 WeakPolarHBondContact O-CG1 3.05Å; L46-I50 PolarHBondContact O-N 3.3Å
47	L	98	Very high	96.1	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-69.3	-30.3	-179.6	-68.1	-173.8	0	0	0	112.1	I24 L43 I50 N51 I59 L104 L107 I108 F115	I24-L47 HydrophobicContact CD1-CD2 3.9Å; L43-L47 VanDerWaalsContact O-CB 3.25Å; L43-L47 WeakPolarHBondContact O-CB 3.44Å; L43-L47 VanDerWaalsContact O-CG 3.25Å; L43-L47 WeakPolarHBondContact O-CG 3.33Å; L43-L47 PolarHBondContact O-N 2.86Å; L47-I50 HydrophobicContact CD2-CD1 4.39Å; L47-N51 WeakPolarHBondContact O-CA 3.43Å; L47-N51 WeakPolarHBondContact O-CB 3.49Å; L47-N51 PolarHBondContact O-N 3.42Å; L47-I59 HydrophobicContact CD2-CD1 3.94Å; L47-I59 HydrophobicContact CD2-CG2 4.24Å; L47-L104 HydrophobicContact CD1-CD1 3.7Å; L47-L107 HydrophobicContact CB-CD2 3.58Å; L47-L107 HydrophobicContact CB-CG 4.27Å; L47-I108 HydrophobicContact CD1-CD1 4.4Å; L47-I108 HydrophobicContact CD1-CG1 3.78Å; L47-F115 HydrophobicContact CD1-CE2 4.16Å; L47-F115 HydrophobicContact CD2-CE2 4.16Å
48	K	97.5	Very high	96.1	Very high	89 Å²	89	53.8 Å²	53.8	39%	0.387	27%	0.267	S	S	.	.	H	α-helix	trans	-66.1	-39.7	170.3	-79	-172.9	171.3	-164.9	0	111.2	L44 I45 L46 N51 A52 L107 D360	L44-K48 WeakPolarHBondContact O-CB 3.34Å; L44-K48 VanDerWaalsContact O-CG 3.3Å; L44-K48 WeakPolarHBondContact O-CG 3.44Å; L44-K48 PolarHBondContact O-N 2.84Å; I45-K48 PolarHBondContact O-N 3.3Å; L46-K48 VanDerWaalsContact C-N 3.34Å; L46-K48 PolarHBondContact O-N 3.14Å; K48-N51 CarbonylContact O-C 3.59Å; K48-N51 WeakPolarHBondContact O-CA 3.45Å; K48-N51 PolarHBondContact O-N 3.4Å; K48-A52 WeakPolarHBondContact O-CB 3.32Å; K48-A52 PolarHBondContact O-N 3.29Å; K48-L107 HydrophobicContact CG-CD2 3.69Å; K48-D360 IonicContact NZ-OD2 2.73Å; K48-D360 PolarHBondContact NZ-OD2 2.87Å
49	Q	97.4	Very high	96.2	Very high	122 Å²	122	48.9 Å²	48.9	57%	0.57	24%	0.244	S	C	*	.	H	α-helix	trans	-66.7	-50.3	177.4	-71.5	173	-3.1	0	0	112.3	I45 L46 N51 A52 D53	I45-Q49 WeakPolarHBondContact O-CG 3.48Å; I45-Q49 PolarHBondContact O-N 3.45Å; L46-Q49 WeakPolarHBondContact O-CB 3.37Å; L46-Q49 PolarHBondContact O-N 2.91Å; Q49-N51 PolarHBondContact O-N 2.89Å; Q49-A52 PolarHBondContact O-N 2.95Å; Q49-D53 PolarHBondContact O-N 3.39Å
50	I	97.2	Very high	96.2	Very high	5 Å²	5	49 Å²	49	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-39.3	172	-60.7	166.9	0	0	0	109.6	F22 I24 L46 L47 A52 D53 A56 I59 R112 V113	F22-I50 HydrophobicContact CB-CD1 3.79Å; F22-I50 HydrophobicContact CD1-CD1 3.81Å; F22-I50 HydrophobicContact CD1-CG1 3.92Å; F22-I50 HydrophobicContact CD2-CD1 4.05Å; F22-I50 HydrophobicContact CD2-CG1 4.03Å; F22-I50 HydrophobicContact CD2-CG2 3.76Å; F22-I50 HydrophobicContact CE1-CD1 4.41Å; F22-I50 HydrophobicContact CE1-CG1 4Å; F22-I50 HydrophobicContact CE2-CG1 4.12Å; F22-I50 HydrophobicContact CE2-CG2 3.82Å; F22-I50 HydrophobicContact CG-CD1 3.6Å; F22-I50 HydrophobicContact CG-CG1 3.93Å; F22-I50 HydrophobicContact CG-CG2 4.43Å; F22-I50 HydrophobicContact CZ-CG1 4.1Å; I24-I50 HydrophobicContact CD1-CD1 4.28Å; L46-I50 HydrophobicContact CD1-CD1 3.93Å; L46-I50 HydrophobicContact CD1-CG1 4.33Å; L46-I50 HydrophobicContact CG-CD1 3.89Å; L46-I50 WeakPolarHBondContact O-CG1 3.05Å; L46-I50 PolarHBondContact O-N 3.3Å; L47-I50 HydrophobicContact CD2-CD1 4.39Å; I50-A52 PolarHBondContact O-N 3Å; I50-A52 VanDerWaalsContact O-N 3.16Å; I50-D53 PolarHBondContact O-N 3.07Å; I50-A56 HydrophobicContact CG2-CB 3.75Å; I50-I59 HydrophobicContact CB-CD1 4.47Å; I50-I59 HydrophobicContact CD1-CG1 4.32Å; I50-I59 HydrophobicContact CG2-CD1 3.73Å; I50-I59 HydrophobicContact CG2-CG1 3.79Å; I50-R112 PolarHBondContact O-NH1 2.94Å; I50-V113 HydrophobicContact CG2-CG1 4.45Å; I50-V113 HydrophobicContact CG2-CG2 4.26Å
51	N	96.3	Very high	96.2	Very high	35 Å²	35	49 Å²	49	19%	0.187	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45	-32	168.4	-178.8	127.1	0	0	0	115.5	L47 K48 Q49 L111 R112 V113	L47-N51 WeakPolarHBondContact O-CA 3.43Å; L47-N51 WeakPolarHBondContact O-CB 3.49Å; L47-N51 PolarHBondContact O-N 3.42Å; K48-N51 CarbonylContact O-C 3.59Å; K48-N51 WeakPolarHBondContact O-CA 3.45Å; K48-N51 PolarHBondContact O-N 3.4Å; Q49-N51 PolarHBondContact O-N 2.89Å; N51-L111 HydrophobicContact CB-CD2 3.42Å; N51-L111 VanDerWaalsContact CB-CD2 3.42Å; N51-R112 VanDerWaalsContact C-CZ 3.43Å; N51-R112 PolarHBondContact O-NE 3.4Å; N51-R112 VanDerWaalsContact O-NE 3.09Å; N51-R112 PolarHBondContact O-NH1 2.82Å; N51-R112 PolarHBondContact O-NH2 3.26Å; N51-R112 WeakPolarHBondContact OD1-CB 3.23Å; N51-R112 WeakPolarHBondContact OD1-CG 3.4Å; N51-R112 PolarHBondContact OD1-N 3.12Å; N51-V113 HydrophobicContact CB-CG2 4.35Å
52	A	96.5	Very high	96.3	Very high	69 Å²	69	48.7 Å²	48.7	57%	0.57	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106	-26.5	-173.9	0	0	0	0	0	111.8	K48 Q49 I50 R54 R112	K48-A52 WeakPolarHBondContact O-CB 3.32Å; K48-A52 PolarHBondContact O-N 3.29Å; Q49-A52 PolarHBondContact O-N 2.95Å; I50-A52 PolarHBondContact O-N 3Å; I50-A52 VanDerWaalsContact O-N 3.16Å; A52-R54 PolarHBondContact O-N 3.46Å; A52-R112 PolarHBondContact O-NH2 2.76Å
53	D	95.8	Very high	96.4	Very high	61 Å²	61	48.2 Å²	48.2	33%	0.326	24%	0.242	S	C	.	.			trans	-71.7	115.3	-179.3	-176.3	-1.4	0	0	0	112.3	Q49 I50 S55 A56 R112	Q49-D53 PolarHBondContact O-N 3.39Å; I50-D53 PolarHBondContact O-N 3.07Å; D53-S55 VanDerWaalsContact CG-OG 3.22Å; D53-S55 PolarHBondContact O-N 3.32Å; D53-S55 WeakPolarHBondContact OD1-CA 3.47Å; D53-S55 VanDerWaalsContact OD1-CB 3.29Å; D53-S55 WeakPolarHBondContact OD1-CB 3.3Å; D53-S55 PolarHBondContact OD1-N 2.73Å; D53-S55 PolarHBondContact OD1-OG 3.41Å; D53-S55 PolarHBondContact OD2-OG 3.08Å; D53-A56 HydrophobicContact CB-CB 4.27Å; D53-A56 WeakPolarHBondContact O-CB 3.4Å; D53-A56 PolarHBondContact O-N 2.98Å; D53-R112 PolarHBondContact O-NH1 2.93Å
54	R	94.4	Very high	96.3	Very high	243 Å²	243	48.7 Å²	48.7	92%	0.917	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.3	177.6	-66.3	-173.1	179.6	-162.4	0	113.5	A52	A52-R54 PolarHBondContact O-N 3.46Å
55	S	93.6	Very high	96.2	Very high	68 Å²	68	50.3 Å²	50.3	48%	0.476	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-9.4	176.9	82.8	0	0	0	0	113.2	D53 K57	D53-S55 VanDerWaalsContact CG-OG 3.22Å; D53-S55 PolarHBondContact O-N 3.32Å; D53-S55 WeakPolarHBondContact OD1-CA 3.47Å; D53-S55 VanDerWaalsContact OD1-CB 3.29Å; D53-S55 WeakPolarHBondContact OD1-CB 3.3Å; D53-S55 PolarHBondContact OD1-N 2.73Å; D53-S55 PolarHBondContact OD1-OG 3.41Å; D53-S55 PolarHBondContact OD2-OG 3.08Å; S55-K57 WeakPolarHBondContact O-CG 3.33Å
56	A	94.5	Very high	96	Very high	16 Å²	16	51 Å²	51	13%	0.132	27%	0.268	C	S	.	.			trans	-67.3	134.4	177.3	0	0	0	0	0	111.8	G20 F22 I50 D53 V113	G20-A56 CarbonylContact O-C 3.47Å; G20-A56 WeakPolarHBondContact O-CA 3.36Å; F22-A56 HydrophobicContact CE2-CB 3.8Å; I50-A56 HydrophobicContact CG2-CB 3.75Å; D53-A56 HydrophobicContact CB-CB 4.27Å; D53-A56 WeakPolarHBondContact O-CB 3.4Å; D53-A56 PolarHBondContact O-N 2.98Å; A56-V113 HydrophobicContact CB-CG1 4.2Å; A56-V113 HydrophobicContact CB-CG2 3.74Å
57	K	93	Very high	96	Very high	113 Å²	113	58 Å²	58	49%	0.491	30%	0.297	S	S	.	.			trans	-123.4	-30.7	-171.4	-62.8	-177.5	-177.6	176.1	0	114.1	G20 K21 S55	G20-K57 PolarHBondContact O-N 3.25Å; K21-K57 HydrophobicContact CG-CB 4.36Å; S55-K57 WeakPolarHBondContact O-CG 3.33Å
58	L	93.8	Very high	96	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	140.6	-175.2	-171.9	71.8	0	0	0	110.4	K21 F22 P114 V116 L209 V218	K21-L58 WeakPolarHBondContact CA-O 3.32Å; K21-L58 HydrophobicContact CB-CB 4.3Å; K21-L58 HydrophobicContact CG-CB 4.06Å; F22-L58 PolarHBondContact N-O 3.19Å; L58-P114 HydrophobicContact CD1-CB 4.07Å; L58-V116 HydrophobicContact CD1-CG2 3.87Å; L58-L209 HydrophobicContact CD2-CB 3.82Å; L58-L209 HydrophobicContact CD2-CD2 4.06Å; L58-L209 HydrophobicContact CD2-CG 4.41Å; L58-L209 WeakPolarHBondContact CD2-O 3.18Å; L58-V218 HydrophobicContact CD1-CG2 4.19Å
59	I	96	Very high	96	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.7	165.1	-61.8	155.1	0	0	0	107.7	F22 I24 L47 I50 L111 V113 P114 F115 V116	F22-I59 WeakPolarHBondContact O-CA 3.42Å; I24-I59 HydrophobicContact CD1-CG2 3.72Å; I24-I59 HydrophobicContact CG1-CG2 4.44Å; L47-I59 HydrophobicContact CD2-CD1 3.94Å; L47-I59 HydrophobicContact CD2-CG2 4.24Å; I50-I59 HydrophobicContact CB-CD1 4.47Å; I50-I59 HydrophobicContact CD1-CG1 4.32Å; I50-I59 HydrophobicContact CG2-CD1 3.73Å; I50-I59 HydrophobicContact CG2-CG1 3.79Å; I59-L111 HydrophobicContact CD1-CD1 3.84Å; I59-L111 HydrophobicContact CD1-CD2 4.43Å; I59-V113 HydrophobicContact CD1-CB 4.01Å; I59-V113 HydrophobicContact CD1-CG1 4.04Å; I59-V113 HydrophobicContact CG1-CG1 4.06Å; I59-P114 PolarHBondContact N-O 3.43Å; I59-F115 HydrophobicContact CB-CD2 3.83Å; I59-F115 HydrophobicContact CB-CE2 4.45Å; I59-F115 HydrophobicContact CB-CG 4.31Å; I59-F115 HydrophobicContact CD1-CD2 4.06Å; I59-F115 HydrophobicContact CG2-CD2 3.5Å; I59-F115 VanDerWaalsContact CG2-CD2 3.5Å; I59-F115 HydrophobicContact CG2-CE2 3.62Å; I59-F115 HydrophobicContact CG2-CG 4.23Å; I59-F115 HydrophobicContact CG2-CZ 4.4Å; I59-F115 WeakPolarHBondContact O-CA 3.45Å; I59-V116 PolarHBondContact O-N 2.87Å
60	L	95.8	Very high	96.1	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.3	169.3	172	62.3	0	0	0	108	F22 I24 V116 L118 E206 L209	F22-L60 PolarHBondContact O-N 3.17Å; I24-L60 PolarHBondContact N-O 3.06Å; L60-V116 CarbonylContact C-O 3.59Å; L60-V116 WeakPolarHBondContact CA-O 3.28Å; L60-V116 HydrophobicContact CD1-CB 4.06Å; L60-V116 HydrophobicContact CD1-CG1 3.96Å; L60-L118 HydrophobicContact CD1-CB 4.14Å; L60-E206 HydrophobicContact CD2-CB 3.97Å; L60-E206 HydrophobicContact CD2-CG 3.73Å; L60-L209 HydrophobicContact CD1-CD1 4.1Å; L60-L209 HydrophobicContact CD2-CD1 4.36Å
61	L	98.1	Very high	96.1	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.7	173.2	-178	65	0	0	0	110.2	I24 L26 F69 F115 V116 L118 L130	I24-L61 HydrophobicContact CB-CD1 3.84Å; I24-L61 HydrophobicContact CG2-CD1 3.58Å; I24-L61 WeakPolarHBondContact O-CA 3.39Å; L26-L61 HydrophobicContact CD2-CD1 4.08Å; L26-L61 HydrophobicContact CG-CD1 4.06Å; L61-F69 HydrophobicContact CD2-CE2 4.18Å; L61-F69 HydrophobicContact CD2-CZ 3.71Å; L61-F69 HydrophobicContact CG-CE2 3.93Å; L61-F69 HydrophobicContact CG-CZ 3.99Å; L61-F115 HydrophobicContact CB-CE1 3.72Å; L61-F115 HydrophobicContact CB-CE2 4.49Å; L61-F115 HydrophobicContact CB-CZ 3.55Å; L61-F115 HydrophobicContact CD2-CE1 4.19Å; L61-F115 HydrophobicContact CD2-CZ 3.67Å; L61-F115 HydrophobicContact CG-CZ 4.22Å; L61-V116 PolarHBondContact N-O 3.25Å; L61-L118 PolarHBondContact O-N 2.88Å; L61-L130 HydrophobicContact CD2-CB 3.94Å; L61-L130 HydrophobicContact CD2-CD1 4.42Å
62	K	98	Very high	96	Very high	46 Å²	46	47.8 Å²	47.8	20%	0.2	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	165.2	172.5	68.8	177.5	-168.2	174.3	0	111.8	I24 T25 L26 L118 E206	I24-K62 PolarHBondContact O-N 2.74Å; T25-K62 CarbonylContact C-O 3.53Å; T25-K62 VanDerWaalsContact CA-O 3.31Å; T25-K62 WeakPolarHBondContact CA-O 3.36Å; T25-K62 HydrophobicContact CG2-CG 4.23Å; T25-K62 WeakPolarHBondContact OG1-CE 3.39Å; L26-K62 PolarHBondContact N-O 2.68Å; K62-L118 HydrophobicContact CB-CB 4.27Å; K62-E206 WeakPolarHBondContact CE-OE1 3.32Å; K62-E206 IonicContact NZ-OE1 3.04Å; K62-E206 PolarHBondContact NZ-OE1 3.17Å; K62-E206 IonicContact NZ-OE2 2.77Å; K62-E206 PolarHBondContact NZ-OE2 2.59Å
63	G	98.3	Very high	95.9	Very high	11 Å²	11	45.5 Å²	45.5	11%	0.113	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	152	165.9	0	0	0	0	0	111.9	N33 F69	N33-G63 WeakPolarHBondContact ND2-CA 3.47Å; G63-F69 WeakPolarHBondContact CA-O 3.31Å
64	A	97.5	Very high	95.6	Very high	13 Å²	13	44.1 Å²	44.1	11%	0.107	23%	0.233	C	C	.	.	S	Bend	trans	-74.8	142.3	167.5	0	0	0	0	0	110.4	T25 L26 N27 P29 N33	T25-A64 HydrophobicContact CG2-CB 3.82Å; L26-A64 WeakPolarHBondContact O-CB 3.49Å; L26-A64 PolarHBondContact O-N 3.34Å; N27-A64 HydrophobicContact CB-CB 4.27Å; N27-A64 VanDerWaalsContact OD1-CB 3.27Å; N27-A64 WeakPolarHBondContact OD1-CB 3.24Å; P29-A64 HydrophobicContact CB-CB 4.42Å; P29-A64 HydrophobicContact CG-CB 4.34Å; N33-A64 PolarHBondContact ND2-N 3.06Å; N33-A64 PolarHBondContact ND2-O 3.23Å
65	G	94.5	Very high	95.2	Very high	48 Å²	48	34 Å²	34	50%	0.495	20%	0.197	S	C	.	.	S	Bend	trans	72.5	179.1	-174.3	0	0	0	0	0	113.3
66	H	92.1	Very high	94.5	Very high	110 Å²	110	36.2 Å²	36.2	51%	0.509	20%	0.195	S	C	.	.	S	Bend	trans	-103.1	-2.4	-176.6	-57.3	-66.3	0	0	0	114	D120	H66-D120 IonicContact ND1-OD2 2.92Å
67	K	97.1	Very high	93.6	Very high	159 Å²	159	40.4 Å²	40.4	69%	0.691	21%	0.212	S	C	*	.	S	Bend	trans	-80.6	-39	-175	-70.3	-175.6	179.2	177.4	0	112.4	L32 I122	L32-K67 HydrophobicContact CD2-CB 3.97Å; L32-K67 HydrophobicContact CD2-CD 4.41Å; K67-I122 WeakPolarHBondContact O-CG1 3.49Å; K67-I122 PolarHBondContact O-N 3.19Å
68	A	98.4	Very high	92.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	138.1	-173.6	0	0	0	0	0	111.8	L32 N33 D120 I122	L32-A68 HydrophobicContact CB-CB 3.71Å; L32-A68 HydrophobicContact CD2-CB 4.17Å; L32-A68 WeakPolarHBondContact O-CB 3.47Å; N33-A68 PolarHBondContact ND2-O 2.9Å; A68-D120 CarbonylContact C-O 3.41Å; A68-I122 WeakPolarHBondContact CA-O 3.26Å; A68-I122 HydrophobicContact CB-CB 3.92Å
69	F	98.7	Very high	92	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	-59.1	158.1	169.3	-103.2	0	0	0	108.6	N33 L61 G63 L118 I119 D120 I122 V123 G127 L130	N33-F69 WeakPolarHBondContact CB-O 3.47Å; N33-F69 PolarHBondContact ND2-O 3.01Å; L61-F69 HydrophobicContact CD2-CE2 4.18Å; L61-F69 HydrophobicContact CD2-CZ 3.71Å; L61-F69 HydrophobicContact CG-CE2 3.93Å; L61-F69 HydrophobicContact CG-CZ 3.99Å; G63-F69 WeakPolarHBondContact CA-O 3.31Å; F69-L118 WeakPolarHBondContact CD2-O 3.26Å; F69-I119 HydrophobicContact CB-CB 4.5Å; F69-I119 HydrophobicContact CD1-CG2 3.96Å; F69-I119 HydrophobicContact CD2-CG2 4.21Å; F69-I119 HydrophobicContact CE1-CG2 4.07Å; F69-I119 HydrophobicContact CE2-CG2 4.3Å; F69-I119 HydrophobicContact CG-CB 4.33Å; F69-I119 HydrophobicContact CG-CG2 4.03Å; F69-I119 HydrophobicContact CZ-CG2 4.23Å; F69-D120 PolarHBondContact N-O 2.92Å; F69-I122 PolarHBondContact N-O 3.39Å; F69-V123 HydrophobicContact CB-CB 4.37Å; F69-V123 HydrophobicContact CD1-CB 4.17Å; F69-V123 HydrophobicContact CD1-CG2 3.8Å; F69-V123 HydrophobicContact CE1-CG2 4.39Å; F69-G127 VanDerWaalsContact CE1-O 3.31Å; F69-G127 WeakPolarHBondContact CE1-O 3.39Å; F69-L130 HydrophobicContact CE1-CB 4.24Å; F69-L130 HydrophobicContact CZ-CB 4.32Å
70	C	98.5	Very high	90.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	120	176.8	176.5	0	0	0	0	109.6	L26 N33 L35 G72 I122 V123 M124 G127	L26-C70 HydrophobicContact CD1-CB 3.82Å; N33-C70 PolarHBondContact O-SG 3.19Å; L35-C70 VanDerWaalsContact CG-SG 3.54Å; C70-G72 VanDerWaalsContact C-N 3.27Å; C70-G72 PolarHBondContact O-N 3.11Å; C70-I122 PolarHBondContact N-O 2.83Å; C70-I122 VanDerWaalsContact N-O 3.11Å; C70-V123 WeakPolarHBondContact O-CA 3.25Å; C70-M124 PolarHBondContact O-N 3.32Å; C70-G127 WeakPolarHBondContact SG-CA 3.34Å
71	A	96.8	Very high	89.3	Confident	34 Å²	34	43.7 Å²	43.7	28%	0.281	23%	0.232	S	C	.	.			trans	-82.5	5.1	-177	0	0	0	0	0	115.3	L32 I122 M124	L32-A71 HydrophobicContact CB-CB 3.58Å; L32-A71 HydrophobicContact CD1-CB 4.18Å; L32-A71 PolarHBondContact O-N 3.23Å; A71-I122 HydrophobicContact CB-CG2 4.01Å; A71-M124 CarbonylContact C-O 3.55Å
72	G	95.1	Very high	87.5	Confident	5 Å²	5	46.9 Å²	46.9	5%	0.052	25%	0.246	C	C	.	.			trans	117.5	-167.7	178.4	0	0	0	0	0	112.7	A34 L35 C70 M124	A34-G72 CarbonylContact C-O 3.52Å; A34-G72 VanDerWaalsContact CA-O 3.29Å; A34-G72 WeakPolarHBondContact CA-O 3.41Å; L35-G72 PolarHBondContact N-O 3.18Å; C70-G72 VanDerWaalsContact C-N 3.27Å; C70-G72 PolarHBondContact O-N 3.11Å; G72-M124 WeakPolarHBondContact CA-O 3.26Å; G72-M124 PolarHBondContact N-O 3.1Å; G72-M124 VanDerWaalsContact N-O 3.14Å
73	G	93.4	Very high	85.3	Confident	21 Å²	21	48 Å²	48	22%	0.216	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-66	153.8	171.5	0	0	0	0	0	112.4	I75	G73-I75 PolarHBondContact O-N 3.43Å
74	D	90.9	Very high	83.2	Confident	33 Å²	33	54.1 Å²	54.1	18%	0.176	30%	0.297	C	S	.	.			trans	-75.5	65.8	171.9	-153	-28.3	0	0	0	110.6	R28 A34 L35 R76 E77	R28-D74 IonicContact CZ-OD2 3.69Å; R28-D74 IonicContact NH1-OD2 2.6Å; R28-D74 PolarHBondContact NH1-OD2 2.71Å; R28-D74 IonicContact NH2-OD2 3.49Å; R28-D74 PolarHBondContact NH2-OD2 3.2Å; A34-D74 HydrophobicContact CB-CB 4.38Å; L35-D74 WeakPolarHBondContact O-CB 3.4Å; L35-D74 PolarHBondContact O-N 3.01Å; D74-R76 PolarHBondContact O-N 3.5Å; D74-E77 WeakPolarHBondContact O-CB 3.26Å; D74-E77 PolarHBondContact O-N 3.49Å; D74-E77 VanDerWaalsContact O-N 3.12Å
75	I	84.8	Confident	81	Confident	29 Å²	29	62 Å²	62	15%	0.149	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-23.4	-172.4	-59.7	-55.9	0	0	0	112.5	G73 E77 L78 A79 I152 F314 V318 L322	G73-I75 PolarHBondContact O-N 3.43Å; I75-E77 VanDerWaalsContact C-N 3.3Å; I75-E77 PolarHBondContact O-N 3.06Å; I75-L78 HydrophobicContact CD1-CD1 3.86Å; I75-L78 WeakPolarHBondContact O-CB 3.43Å; I75-L78 PolarHBondContact O-N 3.48Å; I75-A79 PolarHBondContact O-N 3.44Å; I75-I152 HydrophobicContact CG2-CD1 4.45Å; I75-F314 HydrophobicContact CG2-CE1 4.44Å; I75-F314 HydrophobicContact CG2-CE2 4.13Å; I75-F314 HydrophobicContact CG2-CZ 3.6Å; I75-V318 HydrophobicContact CG2-CG1 4.34Å; I75-V318 HydrophobicContact CG2-CG2 3.43Å; I75-V318 VanDerWaalsContact CG2-CG2 3.43Å; I75-L322 HydrophobicContact CB-CD1 4.38Å; I75-L322 HydrophobicContact CG2-CD1 4.47Å
76	R	80.2	Confident	79.2	Confident	115 Å²	115	61.1 Å²	61.1	43%	0.434	32%	0.319	S	S	.	.	H	α-helix	trans	-59.9	-45.2	174.9	-74.4	-178.7	172	168.7	-2	110.5	D74 L78 A79 H80 L322	D74-R76 PolarHBondContact O-N 3.5Å; R76-L78 VanDerWaalsContact C-N 3.27Å; R76-L78 PolarHBondContact O-N 3.14Å; R76-A79 PolarHBondContact O-N 3.2Å; R76-H80 PolarHBondContact O-N 2.85Å; R76-H80 PolarHBondContact O-ND1 3.41Å; R76-L322 HydrophobicContact CG-CB 4.34Å; R76-L322 HydrophobicContact CG-CD1 4.47Å; R76-L322 PolarHBondContact NE-O 2.71Å; R76-L322 PolarHBondContact NH2-O 2.99Å
77	E	75.5	Confident	77.7	Confident	105 Å²	105	58.6 Å²	58.6	49%	0.491	31%	0.314	S	S	.	.	H	α-helix	trans	-59.1	-43.6	176.7	-167.9	177.1	177.5	0	0	110.4	D74 I75 A79 H80 L81	D74-E77 WeakPolarHBondContact O-CB 3.26Å; D74-E77 PolarHBondContact O-N 3.49Å; D74-E77 VanDerWaalsContact O-N 3.12Å; I75-E77 VanDerWaalsContact C-N 3.3Å; I75-E77 PolarHBondContact O-N 3.06Å; E77-A79 PolarHBondContact O-N 3.45Å; E77-H80 PolarHBondContact O-N 3.45Å; E77-L81 WeakPolarHBondContact O-CG 3.46Å; E77-L81 PolarHBondContact O-N 2.6Å
78	L	76.3	Confident	76.4	Confident	6 Å²	6	61.8 Å²	61.8	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-60.6	-42.7	176.9	-66.5	-174.8	0	0	0	113.7	I75 R76 L81 T94 L97 F98	I75-L78 HydrophobicContact CD1-CD1 3.86Å; I75-L78 WeakPolarHBondContact O-CB 3.43Å; I75-L78 PolarHBondContact O-N 3.48Å; R76-L78 VanDerWaalsContact C-N 3.27Å; R76-L78 PolarHBondContact O-N 3.14Å; L78-L81 HydrophobicContact CD2-CD1 4.15Å; L78-L81 WeakPolarHBondContact O-CB 3.14Å; L78-L81 PolarHBondContact O-N 2.92Å; L78-L81 VanDerWaalsContact O-N 3.15Å; L78-T94 HydrophobicContact CD2-CG2 3.91Å; L78-L97 HydrophobicContact CD1-CD1 4.3Å; L78-L97 HydrophobicContact CD1-CD2 4.38Å; L78-L97 HydrophobicContact CD2-CD1 3.97Å; L78-L97 HydrophobicContact CG-CD1 4.39Å; L78-F98 HydrophobicContact CD1-CZ 4.23Å
79	A	75.9	Confident	75.1	Confident	12 Å²	12	70 Å²	70	10%	0.099	36%	0.357	C	S	.	.	H	α-helix	trans	-67.9	-35.6	-179.7	0	0	0	0	0	113.1	I75 R76 E77 L81 H82 Y315 V318	I75-A79 PolarHBondContact O-N 3.44Å; R76-A79 PolarHBondContact O-N 3.2Å; E77-A79 PolarHBondContact O-N 3.45Å; A79-L81 PolarHBondContact O-N 3.41Å; A79-H82 PolarHBondContact O-N 3.38Å; A79-Y315 HydrophobicContact CB-CD1 4.36Å; A79-V318 HydrophobicContact CB-CB 4.04Å; A79-V318 HydrophobicContact CB-CG1 3.38Å; A79-V318 HydrophobicContact CB-CG2 4.49Å
80	H	71.5	Confident	73.8	Confident	133 Å²	133	72.8 Å²	72.8	62%	0.616	37%	0.37	S	S	*	.	H	α-helix	trans	-65.8	-20.3	174.1	-70.2	88.3	0	0	0	112.6	R76 E77	R76-H80 PolarHBondContact O-N 2.85Å; R76-H80 PolarHBondContact O-ND1 3.41Å; E77-H80 PolarHBondContact O-N 3.45Å
81	L	64.2	Low	72.8	Confident	34 Å²	34	74.7 Å²	74.7	18%	0.178	38%	0.381	C	S	.	.	H	α-helix	trans	-73.4	-30.2	177.8	-63.8	170.3	0	0	0	112.1	E77 L78 A79 C83 K90 L93	E77-L81 WeakPolarHBondContact O-CG 3.46Å; E77-L81 PolarHBondContact O-N 2.6Å; L78-L81 HydrophobicContact CD2-CD1 4.15Å; L78-L81 WeakPolarHBondContact O-CB 3.14Å; L78-L81 PolarHBondContact O-N 2.92Å; L78-L81 VanDerWaalsContact O-N 3.15Å; A79-L81 PolarHBondContact O-N 3.41Å; L81-C83 PolarHBondContact O-N 3.43Å; L81-K90 HydrophobicContact CD2-CG 4.36Å; L81-K90 WeakPolarHBondContact O-CD 3.47Å; L81-K90 WeakPolarHBondContact O-CE 3.2Å; L81-K90 PolarHBondContact O-NZ 3.07Å; L81-L93 HydrophobicContact CD1-CD2 3.72Å; L81-L93 HydrophobicContact CD1-CG 4.47Å; L81-L93 HydrophobicContact CD2-CD2 4.49Å
82	H	59.3	Low	72.2	Confident	70 Å²	70	78.6 Å²	78.6	32%	0.324	39%	0.393	S	S	.	.			trans	-92.5	97.6	-175.1	-142.9	84.3	0	0	0	112.2	A79 Y315	A79-H82 PolarHBondContact O-N 3.38Å; H82-Y315 HydrophobicContact CB-CD1 3.73Å; H82-Y315 HydrophobicContact CB-CD2 4.44Å; H82-Y315 HydrophobicContact CB-CE1 2.99Å; H82-Y315 HydrophobicContact CB-CE2 3.82Å; H82-Y315 HydrophobicContact CB-CG 4.41Å; H82-Y315 WeakPolarHBondContact CB-OH 3.36Å; H82-Y315 AromaticContact CD2-CD2 3.84Å; H82-Y315 AromaticContact CD2-CE2 3.2Å; H82-Y315 WeakPolarHBondContact CD2-CE2 3.49Å; H82-Y315 AromaticContact CD2-CZ 3.39Å; H82-Y315 AromaticContact CG-CE1 3.66Å; H82-Y315 AromaticContact CG-CE2 3.49Å; H82-Y315 VanDerWaalsContact CG-CE2 3.49Å; H82-Y315 AromaticContact CG-CZ 3.1Å; H82-Y315 AromaticContact ND1-CZ 3.58Å; H82-Y315 PolarHBondContact ND1-OH 3.32Å; H82-Y315 AromaticContact NE2-CE2 3.66Å
83	C	53.2	Low	71.7	Confident	68 Å²	68	81.4 Å²	81.4	46%	0.459	41%	0.407	S	S	.	.			trans	-95.4	157.6	151.7	-62.5	0	0	0	0	107.5	L81 E85 A86	L81-C83 PolarHBondContact O-N 3.43Å; C83-E85 CarbonylContact O-C 3.57Å; C83-E85 PolarHBondContact O-N 3.32Å; C83-A86 PolarHBondContact O-N 3.27Å
84	P	53.9	Low	71.4	Confident	140 Å²	140	80.9 Å²	80.9	91%	0.909	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-24.5	175.8	-27.6	34.3	0	0	0	114.3	A86	P84-A86 PolarHBondContact O-N 3.09Å
85	E	50.8	Low	71.4	Confident	178 Å²	178	80.5 Å²	80.5	83%	0.832	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	41.1	173.6	-59.7	179.5	168.7	0	0	113	C83 S87	C83-E85 CarbonylContact O-C 3.57Å; C83-E85 PolarHBondContact O-N 3.32Å; E85-S87 PolarHBondContact O-N 3.28Å
86	A	55.9	Low	71.7	Confident	30 Å²	30	80.8 Å²	80.8	25%	0.248	40%	0.4	C	S	.	.			trans	-56.6	104.1	-178.2	0	0	0	0	0	110.6	C83 P84	C83-A86 PolarHBondContact O-N 3.27Å; P84-A86 PolarHBondContact O-N 3.09Å
87	S	61.8	Low	72.4	Confident	57 Å²	57	76.2 Å²	76.2	40%	0.399	38%	0.384	S	S	.	.			trans	-57.3	149.4	178.1	73.3	0	0	0	0	110.5	E85 K89 K90	E85-S87 PolarHBondContact O-N 3.28Å; S87-K89 PolarHBondContact O-N 3.07Å; S87-K90 WeakPolarHBondContact O-CB 3.41Å; S87-K90 PolarHBondContact O-N 3.41Å
88	R	69.9	Low	73.3	Confident	226 Å²	226	71.3 Å²	71.3	85%	0.853	36%	0.361	S	S	*	.	H	α-helix	trans	-45.3	-32.9	176	-173.8	177.8	179.2	164.9	1	114	Q92	R88-Q92 PolarHBondContact O-N 3.22Å
89	K	71	Confident	74.3	Confident	173 Å²	173	74.1 Å²	74.1	75%	0.752	37%	0.374	S	S	*	.	H	α-helix	trans	-65.5	-36.6	177.2	-67.6	-174	178.2	-177.4	0	113.4	S87 Q92 L93	S87-K89 PolarHBondContact O-N 3.07Å; K89-Q92 PolarHBondContact O-N 3.24Å; K89-L93 PolarHBondContact O-N 3.1Å
90	K	70.9	Confident	75.4	Confident	60 Å²	60	76.3 Å²	76.3	26%	0.261	38%	0.381	S	S	.	.	H	α-helix	trans	-72	-44.3	-177.1	-70.1	169.9	152.4	-161.3	0	111.5	L81 S87 Q92 L93 T94	L81-K90 HydrophobicContact CD2-CG 4.36Å; L81-K90 WeakPolarHBondContact O-CD 3.47Å; L81-K90 WeakPolarHBondContact O-CE 3.2Å; L81-K90 PolarHBondContact O-NZ 3.07Å; S87-K90 WeakPolarHBondContact O-CB 3.41Å; S87-K90 PolarHBondContact O-N 3.41Å; K90-Q92 VanDerWaalsContact C-N 3.26Å; K90-Q92 PolarHBondContact O-N 2.9Å; K90-L93 WeakPolarHBondContact O-CB 3.31Å; K90-L93 PolarHBondContact O-N 3.15Å; K90-L93 VanDerWaalsContact O-N 3.11Å; K90-T94 PolarHBondContact O-N 3.37Å
91	T	77.4	Confident	76.6	Confident	39 Å²	39	70.2 Å²	70.2	24%	0.239	35%	0.353	C	S	.	.	H	α-helix	trans	-59.4	-38.6	173.7	-50.1	0	0	0	0	111.8	L93 T94 E95	T91-L93 VanDerWaalsContact C-N 3.32Å; T91-L93 PolarHBondContact O-N 3.26Å; T91-T94 PolarHBondContact O-N 3.25Å; T91-T94 PolarHBondContact O-OG1 3.01Å; T91-E95 WeakPolarHBondContact O-CB 3.13Å; T91-E95 WeakPolarHBondContact O-CG 2.98Å; T91-E95 PolarHBondContact O-N 3.18Å
92	Q	83.5	Confident	78.3	Confident	116 Å²	116	68.6 Å²	68.6	54%	0.542	35%	0.345	S	S	.	.	H	α-helix	trans	-65.8	-34.2	176.9	-171.1	173.6	10.3	0	0	112.5	R88 K89 K90 T96	R88-Q92 PolarHBondContact O-N 3.22Å; K89-Q92 PolarHBondContact O-N 3.24Å; K90-Q92 VanDerWaalsContact C-N 3.26Å; K90-Q92 PolarHBondContact O-N 2.9Å; Q92-T96 WeakPolarHBondContact O-CB 3.36Å; Q92-T96 PolarHBondContact O-N 3.42Å; Q92-T96 PolarHBondContact O-OG1 3.48Å
93	L	85.6	Confident	80.1	Confident	65 Å²	65	66.9 Å²	66.9	34%	0.34	34%	0.338	S	S	.	.	H	α-helix	trans	-68.6	-44.8	177.7	-172.9	63.1	0	0	0	111.8	L37 L81 K89 K90 T91 T96 L97	L37-L93 HydrophobicContact CD2-CD1 3.45Å; L37-L93 VanDerWaalsContact CD2-CD1 3.45Å; L81-L93 HydrophobicContact CD1-CD2 3.72Å; L81-L93 HydrophobicContact CD1-CG 4.47Å; L81-L93 HydrophobicContact CD2-CD2 4.49Å; K89-L93 PolarHBondContact O-N 3.1Å; K90-L93 WeakPolarHBondContact O-CB 3.31Å; K90-L93 PolarHBondContact O-N 3.15Å; K90-L93 VanDerWaalsContact O-N 3.11Å; T91-L93 VanDerWaalsContact C-N 3.32Å; T91-L93 PolarHBondContact O-N 3.26Å; L93-T96 PolarHBondContact O-N 2.71Å; L93-L97 PolarHBondContact O-N 2.9Å
94	T	86.5	Confident	82.3	Confident	10 Å²	10	63.6 Å²	63.6	6%	0.061	32%	0.316	C	S	.	.	H	α-helix	trans	-64.4	-40.6	175.2	48.6	0	0	0	0	112.1	L78 K90 T91 T96 L97 F98 I309	L78-T94 HydrophobicContact CD2-CG2 3.91Å; K90-T94 PolarHBondContact O-N 3.37Å; T91-T94 PolarHBondContact O-N 3.25Å; T91-T94 PolarHBondContact O-OG1 3.01Å; T94-T96 VanDerWaalsContact C-N 3.34Å; T94-L97 PolarHBondContact O-N 3.02Å; T94-F98 VanDerWaalsContact O-CD2 3.25Å; T94-F98 WeakPolarHBondContact O-CD2 3.46Å; T94-F98 PolarHBondContact O-N 2.69Å; T94-I309 HydrophobicContact CG2-CG1 4.24Å
95	E	90.7	Very high	84.4	Confident	24 Å²	24	57 Å²	57	11%	0.112	27%	0.272	C	S	.	.	H	α-helix	trans	-58.6	-47.7	174.2	-80.2	172.9	-170.2	0	0	110.6	T91 L97 Q99 R310 K355	T91-E95 WeakPolarHBondContact O-CB 3.13Å; T91-E95 WeakPolarHBondContact O-CG 2.98Å; T91-E95 PolarHBondContact O-N 3.18Å; E95-L97 PolarHBondContact O-N 3.48Å; E95-Q99 WeakPolarHBondContact O-CB 3.41Å; E95-Q99 PolarHBondContact O-N 2.73Å; E95-R310 IonicContact OE1-NH2 3.5Å; E95-R310 PolarHBondContact OE1-NH2 3.16Å; E95-R310 VanDerWaalsContact OE1-NH2 3.1Å; E95-K355 IonicContact OE1-NZ 2.65Å; E95-K355 IonicContact OE2-NZ 2.93Å; E95-K355 PolarHBondContact OE2-NZ 2.82Å
96	T	92.6	Very high	86.7	Confident	36 Å²	36	49.2 Å²	49.2	22%	0.221	24%	0.237	C	C	.	.	H	α-helix	trans	-63	-42.2	179.4	-55.7	0	0	0	0	111.5	L37 Q92 L93 T94 Q99 K100	L37-T96 HydrophobicContact CD1-CG2 4.23Å; L37-T96 HydrophobicContact CD2-CG2 4.43Å; Q92-T96 WeakPolarHBondContact O-CB 3.36Å; Q92-T96 PolarHBondContact O-N 3.42Å; Q92-T96 PolarHBondContact O-OG1 3.48Å; L93-T96 PolarHBondContact O-N 2.71Å; T94-T96 VanDerWaalsContact C-N 3.34Å; T96-Q99 PolarHBondContact O-N 3.05Å; T96-K100 HydrophobicContact CG2-CG 4.02Å; T96-K100 WeakPolarHBondContact O-CB 3.47Å; T96-K100 WeakPolarHBondContact O-CG 3.42Å; T96-K100 PolarHBondContact O-N 3.14Å
97	L	94.1	Very high	88.7	Confident	18 Å²	18	48.6 Å²	48.6	9%	0.094	23%	0.229	C	C	.	.	H	α-helix	trans	-57.7	-58.6	-179.7	-174.5	149.3	0	0	0	112.3	L37 I40 L78 L93 T94 E95 Q99 K100 E101	L37-L97 HydrophobicContact CB-CD1 4.33Å; L37-L97 HydrophobicContact CD1-CB 4.47Å; I40-L97 HydrophobicContact CD1-CG 4.39Å; L78-L97 HydrophobicContact CD1-CD1 4.3Å; L78-L97 HydrophobicContact CD1-CD2 4.38Å; L78-L97 HydrophobicContact CD2-CD1 3.97Å; L78-L97 HydrophobicContact CG-CD1 4.39Å; L93-L97 PolarHBondContact O-N 2.9Å; T94-L97 PolarHBondContact O-N 3.02Å; E95-L97 PolarHBondContact O-N 3.48Å; L97-Q99 VanDerWaalsContact C-N 3.28Å; L97-Q99 PolarHBondContact O-N 3.42Å; L97-K100 PolarHBondContact O-N 3.33Å; L97-E101 WeakPolarHBondContact O-CB 3.32Å; L97-E101 PolarHBondContact O-N 3.14Å
98	F	95.4	Very high	90.4	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.013	21%	0.211	C	C	.	.	H	α-helix	trans	-65.6	-34.2	-178.9	-67.4	-66	0	0	0	112	L78 T94 E101 Y102 F154 Y302 I309	L78-F98 HydrophobicContact CD1-CZ 4.23Å; T94-F98 VanDerWaalsContact O-CD2 3.25Å; T94-F98 WeakPolarHBondContact O-CD2 3.46Å; T94-F98 PolarHBondContact O-N 2.69Å; F98-E101 PolarHBondContact O-N 3.36Å; F98-Y102 HydrophobicContact CB-CE2 4.25Å; F98-Y102 HydrophobicContact CD1-CE1 4.21Å; F98-Y102 AromaticContact CD1-CZ 3.93Å; F98-Y102 WeakPolarHBondContact O-CB 3.46Å; F98-Y102 WeakPolarHBondContact O-CD2 3.36Å; F98-Y102 PolarHBondContact O-N 3.17Å; F98-F154 HydrophobicContact CE1-CE1 4.14Å; F98-F154 AromaticContact CE1-CZ 3.75Å; F98-F154 HydrophobicContact CE1-CZ 3.75Å; F98-F154 HydrophobicContact CZ-CE1 4.46Å; F98-F154 HydrophobicContact CZ-CE2 4.3Å; F98-F154 AromaticContact CZ-CZ 3.79Å; F98-F154 HydrophobicContact CZ-CZ 3.79Å; F98-Y302 HydrophobicContact CB-CD2 4.34Å; F98-Y302 HydrophobicContact CB-CE2 4.33Å; F98-I309 HydrophobicContact CE2-CB 4.38Å; F98-I309 HydrophobicContact CE2-CD1 3.96Å; F98-I309 HydrophobicContact CE2-CG1 4.15Å; F98-I309 HydrophobicContact CZ-CD1 4.11Å
99	Q	97	Very high	91.7	Very high	65 Å²	65	39.1 Å²	39.1	30%	0.304	19%	0.187	S	C	.	.	H	α-helix	trans	-59.8	-50.7	174.8	-174.5	-174.8	45.9	0	0	110.7	E95 T96 L97 L103 Y302 L357	E95-Q99 WeakPolarHBondContact O-CB 3.41Å; E95-Q99 PolarHBondContact O-N 2.73Å; T96-Q99 PolarHBondContact O-N 3.05Å; L97-Q99 VanDerWaalsContact C-N 3.28Å; L97-Q99 PolarHBondContact O-N 3.42Å; Q99-L103 HydrophobicContact CG-CD1 4.14Å; Q99-L103 WeakPolarHBondContact O-CB 3.32Å; Q99-L103 WeakPolarHBondContact O-CG 3.48Å; Q99-L103 PolarHBondContact O-N 2.94Å; Q99-Y302 HydrophobicContact CB-CE2 3.78Å; Q99-L357 HydrophobicContact CG-CD1 3.8Å
100	K	97.4	Very high	93	Very high	58 Å²	58	34.5 Å²	34.5	25%	0.252	17%	0.174	S	C	.	.	H	α-helix	trans	-66.9	-39.6	-179.3	-65.3	-67.4	-175.2	-178.7	0	111.9	L37 I40 E41 L44 T96 L97 L103 L104	L37-K100 HydrophobicContact CD1-CB 4.35Å; L37-K100 HydrophobicContact CD1-CG 4.2Å; I40-K100 HydrophobicContact CG2-CB 3.71Å; E41-K100 HydrophobicContact CG-CD 4.33Å; E41-K100 HydrophobicContact CG-CG 4.18Å; L44-K100 HydrophobicContact CD2-CD 4.07Å; T96-K100 HydrophobicContact CG2-CG 4.02Å; T96-K100 WeakPolarHBondContact O-CB 3.47Å; T96-K100 WeakPolarHBondContact O-CG 3.42Å; T96-K100 PolarHBondContact O-N 3.14Å; L97-K100 PolarHBondContact O-N 3.33Å; K100-L103 PolarHBondContact O-N 3Å; K100-L104 WeakPolarHBondContact O-CB 3.36Å; K100-L104 PolarHBondContact O-N 2.92Å
101	E	98	Very high	94.2	Very high	5 Å²	5	32.7 Å²	32.7	2%	0.023	17%	0.167	C	C	.	.	H	α-helix	trans	-62.4	-47.3	178.8	-169.4	163.3	-163.5	0	0	111.3	I40 L97 F98 L103 L104 N105 G126 V158	I40-E101 HydrophobicContact CD1-CB 4.07Å; I40-E101 HydrophobicContact CD1-CG 4.26Å; I40-E101 HydrophobicContact CG2-CB 4.33Å; L97-E101 WeakPolarHBondContact O-CB 3.32Å; L97-E101 PolarHBondContact O-N 3.14Å; F98-E101 PolarHBondContact O-N 3.36Å; E101-L103 PolarHBondContact O-N 2.89Å; E101-L104 CarbonylContact O-C 3.44Å; E101-L104 WeakPolarHBondContact O-CA 3.27Å; E101-L104 VanDerWaalsContact O-CB 3.31Å; E101-L104 WeakPolarHBondContact O-CB 3.29Å; E101-L104 PolarHBondContact O-N 3.49Å; E101-L104 VanDerWaalsContact O-N 3.09Å; E101-N105 PolarHBondContact O-N 2.86Å; E101-N105 PolarHBondContact O-OD1 2.89Å; E101-N105 VanDerWaalsContact O-OD1 3.06Å; E101-G126 WeakPolarHBondContact OE1-CA 3.49Å; E101-V158 HydrophobicContact CG-CG1 3.95Å
102	Y	98.5	Very high	95	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-73.3	-30.8	-178.1	-58.7	-9.9	0	0	0	112.3	F98 L104 N105 N106 D157 V158 E301 Y302 S305 L357	F98-Y102 HydrophobicContact CB-CE2 4.25Å; F98-Y102 HydrophobicContact CD1-CE1 4.21Å; F98-Y102 AromaticContact CD1-CZ 3.93Å; F98-Y102 WeakPolarHBondContact O-CB 3.46Å; F98-Y102 WeakPolarHBondContact O-CD2 3.36Å; F98-Y102 PolarHBondContact O-N 3.17Å; Y102-L104 VanDerWaalsContact C-N 3.32Å; Y102-N105 PolarHBondContact O-N 3.19Å; Y102-N106 PolarHBondContact O-N 2.67Å; Y102-D157 HydrophobicContact CE1-CB 4.3Å; Y102-D157 WeakPolarHBondContact OH-CB 3.12Å; Y102-D157 PolarHBondContact OH-OD2 3.5Å; Y102-D157 VanDerWaalsContact OH-OD2 3.08Å; Y102-V158 HydrophobicContact CD1-CG1 4.29Å; Y102-V158 HydrophobicContact CE1-CG1 3.97Å; Y102-E301 HydrophobicContact CE2-CB 4.1Å; Y102-Y302 AromaticContact CD2-CD2 4Å; Y102-Y302 HydrophobicContact CD2-CD2 4Å; Y102-Y302 HydrophobicContact CD2-CG 4.45Å; Y102-Y302 HydrophobicContact CE2-CD2 4.24Å; Y102-S305 WeakPolarHBondContact OH-CB 3.42Å; Y102-L357 HydrophobicContact CD2-CD2 4.4Å
103	L	98.3	Very high	95.4	Very high	33 Å²	33	31.7 Å²	31.7	17%	0.173	15%	0.154	C	C	.	.	H	α-helix	trans	-62.2	-40	167.4	-73.2	172.6	0	0	0	111.7	L44 Q99 K100 E101 N106 L107 L357 F358 F359	L44-L103 HydrophobicContact CD1-CB 4.31Å; Q99-L103 HydrophobicContact CG-CD1 4.14Å; Q99-L103 WeakPolarHBondContact O-CB 3.32Å; Q99-L103 WeakPolarHBondContact O-CG 3.48Å; Q99-L103 PolarHBondContact O-N 2.94Å; K100-L103 PolarHBondContact O-N 3Å; E101-L103 PolarHBondContact O-N 2.89Å; L103-N106 PolarHBondContact O-N 3.04Å; L103-L107 WeakPolarHBondContact O-CB 3.44Å; L103-L107 PolarHBondContact O-N 3.43Å; L103-L357 HydrophobicContact CD2-CD1 4.31Å; L103-L357 HydrophobicContact CG-CD1 4.2Å; L103-F358 WeakPolarHBondContact CD2-O 3.49Å; L103-F359 HydrophobicContact CD2-CD1 3.78Å; L103-F359 HydrophobicContact CD2-CE1 4.07Å
104	L	98.4	Very high	95.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.5	-43.3	175.5	176.1	60.9	0	0	0	111.3	I40 L43 L44 L47 K100 E101 Y102 N106 L107 I108 L130	I40-L104 HydrophobicContact CB-CD2 4.5Å; I40-L104 HydrophobicContact CG2-CB 4.42Å; I40-L104 HydrophobicContact CG2-CD2 4.06Å; L43-L104 HydrophobicContact CB-CD1 4.03Å; L43-L104 HydrophobicContact CB-CD2 3.83Å; L43-L104 HydrophobicContact CD1-CD2 4.08Å; L44-L104 HydrophobicContact CD1-CB 4.17Å; L44-L104 HydrophobicContact CD1-CD1 4.43Å; L47-L104 HydrophobicContact CD1-CD1 3.7Å; K100-L104 WeakPolarHBondContact O-CB 3.36Å; K100-L104 PolarHBondContact O-N 2.92Å; E101-L104 CarbonylContact O-C 3.44Å; E101-L104 WeakPolarHBondContact O-CA 3.27Å; E101-L104 VanDerWaalsContact O-CB 3.31Å; E101-L104 WeakPolarHBondContact O-CB 3.29Å; E101-L104 PolarHBondContact O-N 3.49Å; E101-L104 VanDerWaalsContact O-N 3.09Å; Y102-L104 VanDerWaalsContact C-N 3.32Å; L104-N106 PolarHBondContact O-N 3.16Å; L104-L107 PolarHBondContact O-N 3.23Å; L104-I108 HydrophobicContact CD1-CD1 4.26Å; L104-I108 HydrophobicContact CD1-CG1 4.37Å; L104-I108 HydrophobicContact CG-CD1 4.18Å; L104-I108 WeakPolarHBondContact O-CG1 3.36Å; L104-I108 PolarHBondContact O-N 3.28Å; L104-L130 HydrophobicContact CD2-CD2 3.54Å; L104-L130 HydrophobicContact CG-CD2 4.1Å
105	N	98.7	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.6	-43.2	175.9	-53.9	137.1	0	0	0	111.7	E101 Y102 I108 K109 G129 V158 F294 M298	E101-N105 PolarHBondContact O-N 2.86Å; E101-N105 PolarHBondContact O-OD1 2.89Å; E101-N105 VanDerWaalsContact O-OD1 3.06Å; Y102-N105 PolarHBondContact O-N 3.19Å; N105-I108 PolarHBondContact O-N 3.02Å; N105-K109 PolarHBondContact O-N 3.26Å; N105-G129 WeakPolarHBondContact ND2-CA 3.16Å; N105-G129 PolarHBondContact ND2-O 2.9Å; N105-V158 WeakPolarHBondContact OD1-CA 3.45Å; N105-V158 WeakPolarHBondContact OD1-CB 3.42Å; N105-V158 WeakPolarHBondContact OD1-CG1 3.22Å; N105-F294 HydrophobicContact CB-CZ 4.31Å; N105-M298 HydrophobicContact CB-SD 4.17Å
106	N	98.4	Very high	96.4	Very high	15 Å²	15	27.9 Å²	27.9	8%	0.08	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-42.3	174.7	-168.5	61.4	0	0	0	112.4	Y102 L103 L104 K109 T110 F294 E295 F359	Y102-N106 PolarHBondContact O-N 2.67Å; L103-N106 PolarHBondContact O-N 3.04Å; L104-N106 PolarHBondContact O-N 3.16Å; N106-K109 PolarHBondContact O-N 3.22Å; N106-T110 WeakPolarHBondContact O-CB 3.33Å; N106-T110 WeakPolarHBondContact O-CG2 3.3Å; N106-T110 PolarHBondContact O-N 2.99Å; N106-T110 VanDerWaalsContact O-N 3.1Å; N106-T110 PolarHBondContact O-OG1 3.06Å; N106-F294 HydrophobicContact CB-CE1 4.02Å; N106-F294 WeakPolarHBondContact OD1-CD1 3.26Å; N106-E295 WeakPolarHBondContact OD1-CG 3.4Å; N106-F359 HydrophobicContact CB-CD1 3.76Å; N106-F359 HydrophobicContact CB-CE1 3.6Å; N106-F359 VanDerWaalsContact ND2-CD1 3.31Å; N106-F359 WeakPolarHBondContact ND2-CD1 3.29Å
107	L	98.2	Very high	96.7	Very high	17 Å²	17	26.2 Å²	26.2	9%	0.089	13%	0.125	C	C	.	.	H	α-helix	trans	-59.8	-50	175.3	179	58.8	0	0	0	110.7	L44 L47 K48 L103 L104 K109 T110 L111	L44-L107 HydrophobicContact CD1-CB 4.47Å; L44-L107 HydrophobicContact CD1-CD2 3.91Å; L47-L107 HydrophobicContact CB-CD2 3.58Å; L47-L107 HydrophobicContact CB-CG 4.27Å; K48-L107 HydrophobicContact CG-CD2 3.69Å; L103-L107 WeakPolarHBondContact O-CB 3.44Å; L103-L107 PolarHBondContact O-N 3.43Å; L104-L107 PolarHBondContact O-N 3.23Å; L107-K109 VanDerWaalsContact C-N 3.26Å; L107-K109 PolarHBondContact O-N 3.17Å; L107-T110 CarbonylContact O-C 3.38Å; L107-T110 PolarHBondContact O-N 3.13Å; L107-T110 PolarHBondContact O-OG1 2.8Å; L107-L111 HydrophobicContact CD1-CD2 4.1Å; L107-L111 HydrophobicContact CG-CD2 4.23Å; L107-L111 VanDerWaalsContact O-CG 3.3Å; L107-L111 WeakPolarHBondContact O-CG 3.34Å; L107-L111 PolarHBondContact O-N 3.47Å
108	I	98.3	Very high	96.8	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-55.2	-43.4	177.7	-68	168	0	0	0	111.1	L47 L104 N105 T110 F115 L130 H133	L47-I108 HydrophobicContact CD1-CD1 4.4Å; L47-I108 HydrophobicContact CD1-CG1 3.78Å; L104-I108 HydrophobicContact CD1-CD1 4.26Å; L104-I108 HydrophobicContact CD1-CG1 4.37Å; L104-I108 HydrophobicContact CG-CD1 4.18Å; L104-I108 WeakPolarHBondContact O-CG1 3.36Å; L104-I108 PolarHBondContact O-N 3.28Å; N105-I108 PolarHBondContact O-N 3.02Å; I108-T110 VanDerWaalsContact C-N 3.27Å; I108-T110 PolarHBondContact O-N 3.5Å; I108-F115 HydrophobicContact CG1-CE2 4.4Å; I108-L130 HydrophobicContact CD1-CD2 3.92Å; I108-H133 HydrophobicContact CG2-CB 4.05Å
109	K	97.6	Very high	96.9	Very high	79 Å²	79	25.7 Å²	25.7	34%	0.343	12%	0.122	S	C	.	.	H	α-helix	trans	-64.2	-29.8	179.5	-173.8	67.6	-168.5	73.2	0	113.6	N105 N106 L107 H133 F294	N105-K109 PolarHBondContact O-N 3.26Å; N106-K109 PolarHBondContact O-N 3.22Å; L107-K109 VanDerWaalsContact C-N 3.26Å; L107-K109 PolarHBondContact O-N 3.17Å; K109-H133 HydrophobicContact CB-CB 3.95Å; K109-H133 HydrophobicContact CD-CB 3.89Å; K109-F294 HydrophobicContact CB-CD1 4.16Å; K109-F294 HydrophobicContact CB-CE1 4.01Å; K109-F294 HydrophobicContact CB-CG 4.5Å; K109-F294 HydrophobicContact CB-CZ 4.18Å; K109-F294 HydrophobicContact CD-CD2 4.21Å; K109-F294 HydrophobicContact CD-CE2 4.42Å; K109-F294 HydrophobicContact CD-CG 4.48Å; K109-F294 HydrophobicContact CG-CB 4.48Å; K109-F294 HydrophobicContact CG-CD1 3.99Å; K109-F294 HydrophobicContact CG-CD2 4.05Å; K109-F294 HydrophobicContact CG-CE1 4.28Å; K109-F294 HydrophobicContact CG-CE2 4.33Å; K109-F294 HydrophobicContact CG-CG 3.87Å; K109-F294 HydrophobicContact CG-CZ 4.42Å
110	T	96.7	Very high	97	Very high	76 Å²	76	23.3 Å²	23.3	47%	0.466	11%	0.111	S	C	.	.	H	α-helix	trans	-109.8	4	-171.4	57.6	0	0	0	0	113.7	N106 L107 I108 R112	N106-T110 WeakPolarHBondContact O-CB 3.33Å; N106-T110 WeakPolarHBondContact O-CG2 3.3Å; N106-T110 PolarHBondContact O-N 2.99Å; N106-T110 VanDerWaalsContact O-N 3.1Å; N106-T110 PolarHBondContact O-OG1 3.06Å; L107-T110 CarbonylContact O-C 3.38Å; L107-T110 PolarHBondContact O-N 3.13Å; L107-T110 PolarHBondContact O-OG1 2.8Å; I108-T110 VanDerWaalsContact C-N 3.27Å; I108-T110 PolarHBondContact O-N 3.5Å; T110-R112 PolarHBondContact O-N 3Å
111	L	96	Very high	97	Very high	22 Å²	22	20.6 Å²	20.6	12%	0.115	10%	0.1	C	C	.	.			trans	-53.9	130.8	175.6	-75.5	174.7	0	0	0	111.3	N51 I59 L107 V113 F115	N51-L111 HydrophobicContact CB-CD2 3.42Å; N51-L111 VanDerWaalsContact CB-CD2 3.42Å; I59-L111 HydrophobicContact CD1-CD1 3.84Å; I59-L111 HydrophobicContact CD1-CD2 4.43Å; L107-L111 HydrophobicContact CD1-CD2 4.1Å; L107-L111 HydrophobicContact CG-CD2 4.23Å; L107-L111 VanDerWaalsContact O-CG 3.3Å; L107-L111 WeakPolarHBondContact O-CG 3.34Å; L107-L111 PolarHBondContact O-N 3.47Å; L111-V113 VanDerWaalsContact C-N 3.28Å; L111-F115 HydrophobicContact CD1-CB 4Å; L111-F115 HydrophobicContact CD1-CD2 3.37Å; L111-F115 HydrophobicContact CD1-CE2 4.17Å; L111-F115 HydrophobicContact CD1-CG 4.09Å
112	R	94.2	Very high	97	Very high	129 Å²	129	22.3 Å²	22.3	49%	0.487	11%	0.109	S	C	.	.	S	Bend	trans	-72.1	-29.4	166.8	88	178.5	104.7	102.8	-36.8	111.7	I50 N51 A52 D53 T110	I50-R112 PolarHBondContact O-NH1 2.94Å; N51-R112 VanDerWaalsContact C-CZ 3.43Å; N51-R112 PolarHBondContact O-NE 3.4Å; N51-R112 VanDerWaalsContact O-NE 3.09Å; N51-R112 PolarHBondContact O-NH1 2.82Å; N51-R112 PolarHBondContact O-NH2 3.26Å; N51-R112 WeakPolarHBondContact OD1-CB 3.23Å; N51-R112 WeakPolarHBondContact OD1-CG 3.4Å; N51-R112 PolarHBondContact OD1-N 3.12Å; A52-R112 PolarHBondContact O-NH2 2.76Å; D53-R112 PolarHBondContact O-NH1 2.93Å; T110-R112 PolarHBondContact O-N 3Å
113	V	93.7	Very high	97.1	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.03	11%	0.109	C	C	.	.	S	Bend	trans	-83.9	128	-175.4	-174.7	0	0	0	0	107.7	I50 N51 A56 I59 L111 F115	I50-V113 HydrophobicContact CG2-CG1 4.45Å; I50-V113 HydrophobicContact CG2-CG2 4.26Å; N51-V113 HydrophobicContact CB-CG2 4.35Å; A56-V113 HydrophobicContact CB-CG1 4.2Å; A56-V113 HydrophobicContact CB-CG2 3.74Å; I59-V113 HydrophobicContact CD1-CB 4.01Å; I59-V113 HydrophobicContact CD1-CG1 4.04Å; I59-V113 HydrophobicContact CG1-CG1 4.06Å; L111-V113 VanDerWaalsContact C-N 3.28Å; V113-F115 PolarHBondContact O-N 2.81Å
114	P	92.9	Very high	97.1	Very high	15 Å²	15	21.9 Å²	21.9	10%	0.097	11%	0.106	C	C	.	.			trans	-53.2	128.5	175.9	-28.5	36.1	0	0	0	112.4	L58 I59 L215	L58-P114 HydrophobicContact CD1-CB 4.07Å; I59-P114 PolarHBondContact N-O 3.43Å; P114-L215 HydrophobicContact CB-CD1 4.39Å; P114-L215 HydrophobicContact CB-CD2 3.41Å; P114-L215 VanDerWaalsContact CB-CD2 3.41Å; P114-L215 HydrophobicContact CB-CG 3.96Å; P114-L215 HydrophobicContact CG-CD1 3.46Å; P114-L215 VanDerWaalsContact CG-CD1 3.46Å; P114-L215 HydrophobicContact CG-CD2 3.45Å; P114-L215 VanDerWaalsContact CG-CD2 3.45Å; P114-L215 HydrophobicContact CG-CG 3.47Å; P114-L215 VanDerWaalsContact CG-CG 3.47Å
115	F	95.5	Very high	97	Very high	4 Å²	4	22 Å²	22	2%	0.018	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.1	-178.4	-169	-68	0	0	0	110	L47 I59 L61 I108 L111 V113 A117 F136	L47-F115 HydrophobicContact CD1-CE2 4.16Å; L47-F115 HydrophobicContact CD2-CE2 4.16Å; I59-F115 HydrophobicContact CB-CD2 3.83Å; I59-F115 HydrophobicContact CB-CE2 4.45Å; I59-F115 HydrophobicContact CB-CG 4.31Å; I59-F115 HydrophobicContact CD1-CD2 4.06Å; I59-F115 HydrophobicContact CG2-CD2 3.5Å; I59-F115 VanDerWaalsContact CG2-CD2 3.5Å; I59-F115 HydrophobicContact CG2-CE2 3.62Å; I59-F115 HydrophobicContact CG2-CG 4.23Å; I59-F115 HydrophobicContact CG2-CZ 4.4Å; I59-F115 WeakPolarHBondContact O-CA 3.45Å; L61-F115 HydrophobicContact CB-CE1 3.72Å; L61-F115 HydrophobicContact CB-CE2 4.49Å; L61-F115 HydrophobicContact CB-CZ 3.55Å; L61-F115 HydrophobicContact CD2-CE1 4.19Å; L61-F115 HydrophobicContact CD2-CZ 3.67Å; L61-F115 HydrophobicContact CG-CZ 4.22Å; I108-F115 HydrophobicContact CG1-CE2 4.4Å; L111-F115 HydrophobicContact CD1-CB 4Å; L111-F115 HydrophobicContact CD1-CD2 3.37Å; L111-F115 HydrophobicContact CD1-CE2 4.17Å; L111-F115 HydrophobicContact CD1-CG 4.09Å; V113-F115 PolarHBondContact O-N 2.81Å; F115-A117 HydrophobicContact CE1-CB 4.1Å; F115-F136 PolarHBondContact O-N 3.18Å
116	V	95.3	Very high	96.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.6	174.6	-175	0	0	0	0	108.7	L58 I59 L60 L61 F136 V138 L209 V218	L58-V116 HydrophobicContact CD1-CG2 3.87Å; I59-V116 PolarHBondContact O-N 2.87Å; L60-V116 CarbonylContact C-O 3.59Å; L60-V116 WeakPolarHBondContact CA-O 3.28Å; L60-V116 HydrophobicContact CD1-CB 4.06Å; L60-V116 HydrophobicContact CD1-CG1 3.96Å; L61-V116 PolarHBondContact N-O 3.25Å; V116-F136 CarbonylContact C-O 3.56Å; V116-F136 WeakPolarHBondContact CA-O 3.44Å; V116-F136 HydrophobicContact CB-CB 4.28Å; V116-F136 HydrophobicContact CG1-CB 4.15Å; V116-F136 HydrophobicContact CG2-CB 3.95Å; V116-F136 HydrophobicContact CG2-CD2 4.1Å; V116-F136 HydrophobicContact CG2-CG 4.33Å; V116-V138 HydrophobicContact CG1-CG2 3.9Å; V116-L209 HydrophobicContact CB-CD1 4.4Å; V116-L209 HydrophobicContact CG1-CD1 4.05Å; V116-L209 HydrophobicContact CG2-CD1 4.33Å; V116-V218 HydrophobicContact CG2-CG1 4.46Å; V116-V218 HydrophobicContact CG2-CG2 4.15Å
117	A	97.8	Very high	96.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	112.7	169.5	0	0	0	0	0	108.9	F115 I119 F136 R137 V138	F115-A117 HydrophobicContact CE1-CB 4.1Å; A117-I119 HydrophobicContact CB-CG2 4.06Å; A117-I119 PolarHBondContact O-N 3.36Å; A117-F136 PolarHBondContact N-O 3.29Å; A117-R137 CarbonylContact O-C 3.51Å; A117-R137 WeakPolarHBondContact O-CA 3.46Å; A117-V138 PolarHBondContact O-N 2.92Å
118	L	96.9	Very high	96.9	Very high	7 Å²	7	20.8 Å²	20.8	4%	0.037	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	92.1	170.4	177.6	59	0	0	0	108.5	L60 L61 K62 F69 D120 V138 T202 L205	L60-L118 HydrophobicContact CD1-CB 4.14Å; L61-L118 PolarHBondContact O-N 2.88Å; K62-L118 HydrophobicContact CB-CB 4.27Å; F69-L118 WeakPolarHBondContact CD2-O 3.26Å; L118-D120 HydrophobicContact CG-CB 4.47Å; L118-D120 PolarHBondContact O-N 3.16Å; L118-V138 HydrophobicContact CD1-CB 3.97Å; L118-V138 HydrophobicContact CD1-CG1 3.95Å; L118-T202 HydrophobicContact CD1-CG2 4.24Å; L118-T202 HydrophobicContact CD2-CG2 4.41Å; L118-L205 HydrophobicContact CD1-CD2 4.29Å
119	I	98.2	Very high	96.9	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.015	10%	0.102	C	C	.	.			trans	-86.8	50	-172.6	55.2	170.2	0	0	0	111.9	F69 A117 V123 S131 V138 A139 T143 V187 A193	F69-I119 HydrophobicContact CB-CB 4.5Å; F69-I119 HydrophobicContact CD1-CG2 3.96Å; F69-I119 HydrophobicContact CD2-CG2 4.21Å; F69-I119 HydrophobicContact CE1-CG2 4.07Å; F69-I119 HydrophobicContact CE2-CG2 4.3Å; F69-I119 HydrophobicContact CG-CB 4.33Å; F69-I119 HydrophobicContact CG-CG2 4.03Å; F69-I119 HydrophobicContact CZ-CG2 4.23Å; A117-I119 HydrophobicContact CB-CG2 4.06Å; A117-I119 PolarHBondContact O-N 3.36Å; I119-V123 HydrophobicContact CB-CG1 4.37Å; I119-V123 HydrophobicContact CG2-CG2 4.34Å; I119-S131 VanDerWaalsContact CG2-CB 3.43Å; I119-V138 VanDerWaalsContact CG1-O 3.22Å; I119-V138 WeakPolarHBondContact CG1-O 3.09Å; I119-V138 PolarHBondContact N-O 3.41Å; I119-A139 HydrophobicContact CD1-CB 4.2Å; I119-A139 HydrophobicContact CG1-CB 4.2Å; I119-T143 HydrophobicContact CD1-CG2 4.12Å; I119-T143 HydrophobicContact CG1-CG2 4.21Å; I119-T143 WeakPolarHBondContact O-CB 3.31Å; I119-T143 VanDerWaalsContact O-CG2 3.22Å; I119-T143 WeakPolarHBondContact O-CG2 3.35Å; I119-T143 PolarHBondContact O-OG1 3.18Å; I119-V187 HydrophobicContact CD1-CG1 4.3Å; I119-A193 HydrophobicContact CD1-CB 4.23Å
120	D	97.5	Very high	96.9	Very high	15 Å²	15	16.9 Å²	16.9	8%	0.08	9%	0.086	C	C	.	.			trans	-72.8	127.8	177.3	-176.6	45.7	0	0	0	111.4	H66 A68 F69 L118 T140 R142	H66-D120 IonicContact ND1-OD2 2.92Å; A68-D120 CarbonylContact C-O 3.41Å; F69-D120 PolarHBondContact N-O 2.92Å; L118-D120 HydrophobicContact CG-CB 4.47Å; L118-D120 PolarHBondContact O-N 3.16Å; D120-T140 HydrophobicContact CB-CG2 3.95Å; D120-T140 WeakPolarHBondContact OD1-CB 3.33Å; D120-T140 WeakPolarHBondContact OD1-CG2 3.35Å; D120-T140 PolarHBondContact OD1-OG1 2.97Å; D120-R142 VanDerWaalsContact CG-NH2 3.32Å; D120-R142 IonicContact OD1-CZ 2.74Å; D120-R142 IonicContact OD1-NE 3.68Å; D120-R142 PolarHBondContact OD1-NE 2.85Å; D120-R142 IonicContact OD1-NH2 3.16Å; D120-R142 PolarHBondContact OD1-NH2 3.44Å; D120-R142 IonicContact OD2-CZ 3.8Å; D120-R142 IonicContact OD2-NE 3.6Å; D120-R142 PolarHBondContact OD2-NE 2.73Å; D120-R142 IonicContact OD2-NH2 2.99Å; D120-R142 PolarHBondContact OD2-NH2 3.04Å
121	G	98.4	Very high	97	Very high	2 Å²	2	13.4 Å²	13.4	2%	0.021	7%	0.065	C	C	.	.	S	Bend	trans	84.1	-157.6	-176.3	0	0	0	0	0	114.8	V123 R142 T143 M144	G121-V123 PolarHBondContact O-N 2.95Å; G121-R142 WeakPolarHBondContact CA-O 3.26Å; G121-T143 CarbonylContact O-C 3.56Å; G121-T143 VanDerWaalsContact O-CA 3.24Å; G121-T143 WeakPolarHBondContact O-CA 3.02Å; G121-M144 PolarHBondContact O-N 2.75Å
122	I	98.7	Very high	97.1	Very high	41 Å²	41	13 Å²	13	21%	0.21	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	128.9	179.2	-63.7	167.1	0	0	0	111.5	L32 K67 A68 F69 C70 A71 M124	L32-I122 HydrophobicContact CD1-CD1 4.07Å; K67-I122 WeakPolarHBondContact O-CG1 3.49Å; K67-I122 PolarHBondContact O-N 3.19Å; A68-I122 WeakPolarHBondContact CA-O 3.26Å; A68-I122 HydrophobicContact CB-CB 3.92Å; F69-I122 PolarHBondContact N-O 3.39Å; C70-I122 PolarHBondContact N-O 2.83Å; C70-I122 VanDerWaalsContact N-O 3.11Å; A71-I122 HydrophobicContact CB-CG2 4.01Å; I122-M124 HydrophobicContact CG2-CE 4.05Å; I122-M124 HydrophobicContact CG2-CG 3.89Å; I122-M124 HydrophobicContact CG2-SD 3.95Å
123	V	98.8	Very high	97.3	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.006	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	105.5	172.7	54.9	0	0	0	0	109.2	F69 C70 I119 G121 V128 T143 M144 F145 A146	F69-V123 HydrophobicContact CB-CB 4.37Å; F69-V123 HydrophobicContact CD1-CB 4.17Å; F69-V123 HydrophobicContact CD1-CG2 3.8Å; F69-V123 HydrophobicContact CE1-CG2 4.39Å; C70-V123 WeakPolarHBondContact O-CA 3.25Å; I119-V123 HydrophobicContact CB-CG1 4.37Å; I119-V123 HydrophobicContact CG2-CG2 4.34Å; G121-V123 PolarHBondContact O-N 2.95Å; V123-V128 HydrophobicContact CG2-CG2 3.99Å; V123-T143 HydrophobicContact CG1-CG2 3.82Å; V123-M144 PolarHBondContact N-O 3.4Å; V123-F145 HydrophobicContact CG1-CB 4.04Å; V123-F145 HydrophobicContact CG1-CD2 4.38Å; V123-F145 VanDerWaalsContact O-CA 3.29Å; V123-F145 WeakPolarHBondContact O-CA 3.5Å; V123-A146 PolarHBondContact O-N 3.13Å
124	M	98.4	Very high	97.4	Very high	22 Å²	22	7.4 Å²	7.4	11%	0.108	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.9	-173	-63.2	-177.9	179.8	0	0	112.1	C70 A71 G72 I122 G126 G127 M144 A146 R181	C70-M124 PolarHBondContact O-N 3.32Å; A71-M124 CarbonylContact C-O 3.55Å; G72-M124 WeakPolarHBondContact CA-O 3.26Å; G72-M124 PolarHBondContact N-O 3.1Å; G72-M124 VanDerWaalsContact N-O 3.14Å; I122-M124 HydrophobicContact CG2-CE 4.05Å; I122-M124 HydrophobicContact CG2-CG 3.89Å; I122-M124 HydrophobicContact CG2-SD 3.95Å; M124-G126 PolarHBondContact O-N 3.19Å; M124-G127 WeakPolarHBondContact O-CA 3.2Å; M124-G127 PolarHBondContact O-N 3.21Å; M124-M144 HydrophobicContact CE-CG 3.77Å; M124-M144 HydrophobicContact CE-SD 3.74Å; M124-A146 VanDerWaalsContact CA-O 3.26Å; M124-A146 WeakPolarHBondContact CA-O 3.5Å; M124-A146 HydrophobicContact CE-CB 4.02Å; M124-A146 HydrophobicContact CG-CB 4.05Å; M124-A146 HydrophobicContact SD-CB 4.21Å; M124-R181 HydrophobicContact CE-CG 4.28Å
125	G	96.7	Very high	97.3	Very high	4 Å²	4	12.1 Å²	12.1	4%	0.041	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	44	-121.3	177.7	0	0	0	0	0	114	G127 V128 G129 A146 E149 V158	G125-G127 PolarHBondContact O-N 2.98Å; G125-V128 WeakPolarHBondContact O-CA 3.18Å; G125-V128 WeakPolarHBondContact O-CB 3.34Å; G125-V128 PolarHBondContact O-N 2.77Å; G125-G129 PolarHBondContact O-N 3.26Å; G125-A146 PolarHBondContact N-O 3.42Å; G125-E149 WeakPolarHBondContact CA-OE1 3.2Å; G125-V158 WeakPolarHBondContact O-CG2 3.46Å
126	G	96.5	Very high	97.2	Very high	5 Å²	5	13.9 Å²	13.9	5%	0.052	7%	0.074	C	C	.	.	H	α-helix	trans	-49.2	-30.8	176.9	0	0	0	0	0	115.4	E101 M124 V128 G129 L130	E101-G126 WeakPolarHBondContact OE1-CA 3.49Å; M124-G126 PolarHBondContact O-N 3.19Å; G126-V128 VanDerWaalsContact C-N 3.34Å; G126-V128 PolarHBondContact O-N 3.41Å; G126-G129 WeakPolarHBondContact O-CA 3.45Å; G126-G129 PolarHBondContact O-N 2.77Å; G126-L130 PolarHBondContact O-N 2.85Å
127	G	97.8	Very high	97.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.9	-32	173.3	0	0	0	0	0	113.9	F69 C70 M124 G125 G129 L130 S131	F69-G127 VanDerWaalsContact CE1-O 3.31Å; F69-G127 WeakPolarHBondContact CE1-O 3.39Å; C70-G127 WeakPolarHBondContact SG-CA 3.34Å; M124-G127 WeakPolarHBondContact O-CA 3.2Å; M124-G127 PolarHBondContact O-N 3.21Å; G125-G127 PolarHBondContact O-N 2.98Å; G127-G129 VanDerWaalsContact C-N 3.28Å; G127-L130 PolarHBondContact O-N 3.46Å; G127-S131 PolarHBondContact O-OG 3.45Å
128	V	98.8	Very high	97.2	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.006	8%	0.081	C	C	.	.	H	α-helix	trans	-61.8	-41.4	168.6	175.7	0	0	0	0	109.9	V123 G125 G126 L130 S131 V132 F145 M147 F163	V123-V128 HydrophobicContact CG2-CG2 3.99Å; G125-V128 WeakPolarHBondContact O-CA 3.18Å; G125-V128 WeakPolarHBondContact O-CB 3.34Å; G125-V128 PolarHBondContact O-N 2.77Å; G126-V128 VanDerWaalsContact C-N 3.34Å; G126-V128 PolarHBondContact O-N 3.41Å; V128-L130 PolarHBondContact O-N 3.44Å; V128-S131 PolarHBondContact O-N 3.38Å; V128-S131 PolarHBondContact O-OG 3.4Å; V128-V132 HydrophobicContact CG1-CB 3.79Å; V128-V132 HydrophobicContact CG1-CG1 3.85Å; V128-V132 HydrophobicContact CG1-CG2 4.41Å; V128-V132 WeakPolarHBondContact O-CG1 3.43Å; V128-V132 PolarHBondContact O-N 2.66Å; V128-F145 HydrophobicContact CB-CE2 4.13Å; V128-F145 HydrophobicContact CG1-CD2 4.5Å; V128-F145 HydrophobicContact CG1-CE2 3.59Å; V128-F145 HydrophobicContact CG1-CZ 4.37Å; V128-F145 HydrophobicContact CG2-CD2 3.67Å; V128-F145 HydrophobicContact CG2-CE2 3.37Å; V128-F145 HydrophobicContact CG2-CZ 4.32Å; V128-M147 HydrophobicContact CB-SD 3.79Å; V128-M147 HydrophobicContact CG1-SD 3.89Å; V128-M147 HydrophobicContact CG2-SD 3.67Å; V128-F163 HydrophobicContact CG1-CE1 3.92Å; V128-F163 HydrophobicContact CG1-CZ 3.72Å
129	G	98.5	Very high	97.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-56.9	-31.7	176.9	0	0	0	0	0	114.9	N105 G125 G126 G127 S131 H133	N105-G129 WeakPolarHBondContact ND2-CA 3.16Å; N105-G129 PolarHBondContact ND2-O 2.9Å; G125-G129 PolarHBondContact O-N 3.26Å; G126-G129 WeakPolarHBondContact O-CA 3.45Å; G126-G129 PolarHBondContact O-N 2.77Å; G127-G129 VanDerWaalsContact C-N 3.28Å; G129-S131 VanDerWaalsContact C-N 3.27Å; G129-S131 PolarHBondContact O-N 2.9Å; G129-H133 PolarHBondContact O-CD2 3.29Å
130	L	98.5	Very high	97	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.6	176.4	-64.9	-172.1	0	0	0	114.5	L26 L35 L43 L61 F69 L104 I108 G126 G127 V128	L26-L130 HydrophobicContact CD1-CD1 3.83Å; L26-L130 HydrophobicContact CD2-CD1 4.3Å; L35-L130 HydrophobicContact CD1-CD1 3.71Å; L35-L130 HydrophobicContact CD1-CG 3.95Å; L35-L130 HydrophobicContact CD2-CD1 3.49Å; L35-L130 VanDerWaalsContact CD2-CD1 3.49Å; L35-L130 HydrophobicContact CG-CD1 4.18Å; L43-L130 HydrophobicContact CD1-CD1 4.1Å; L43-L130 HydrophobicContact CD1-CD2 4.26Å; L61-L130 HydrophobicContact CD2-CB 3.94Å; L61-L130 HydrophobicContact CD2-CD1 4.42Å; F69-L130 HydrophobicContact CE1-CB 4.24Å; F69-L130 HydrophobicContact CZ-CB 4.32Å; L104-L130 HydrophobicContact CD2-CD2 3.54Å; L104-L130 HydrophobicContact CG-CD2 4.1Å; I108-L130 HydrophobicContact CD1-CD2 3.92Å; G126-L130 PolarHBondContact O-N 2.85Å; G127-L130 PolarHBondContact O-N 3.46Å; V128-L130 PolarHBondContact O-N 3.44Å
131	S	98.3	Very high	96.8	Very high	4 Å²	4	20.7 Å²	20.7	3%	0.028	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.4	-46.9	-172.7	59.2	0	0	0	0	113.6	I119 G127 V128 G129 H133 S134 R137	I119-S131 VanDerWaalsContact CG2-CB 3.43Å; G127-S131 PolarHBondContact O-OG 3.45Å; V128-S131 PolarHBondContact O-N 3.38Å; V128-S131 PolarHBondContact O-OG 3.4Å; G129-S131 VanDerWaalsContact C-N 3.27Å; G129-S131 PolarHBondContact O-N 2.9Å; S131-H133 PolarHBondContact O-N 3.35Å; S131-H133 VanDerWaalsContact O-N 3.09Å; S131-S134 VanDerWaalsContact O-CB 3.31Å; S131-S134 WeakPolarHBondContact O-CB 3.21Å; S131-S134 PolarHBondContact O-N 3.24Å; S131-S134 PolarHBondContact O-OG 3.15Å; S131-R137 VanDerWaalsContact O-CD 3.26Å; S131-R137 WeakPolarHBondContact O-CD 3.46Å; S131-R137 VanDerWaalsContact O-CG 3.32Å; S131-R137 WeakPolarHBondContact O-CG 3.46Å
132	V	98.2	Very high	96.7	Very high	13 Å²	13	24.4 Å²	24.4	8%	0.079	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.5	-165.9	76.8	0	0	0	0	113.9	V128 R137 F163	V128-V132 HydrophobicContact CG1-CB 3.79Å; V128-V132 HydrophobicContact CG1-CG1 3.85Å; V128-V132 HydrophobicContact CG1-CG2 4.41Å; V128-V132 WeakPolarHBondContact O-CG1 3.43Å; V128-V132 PolarHBondContact O-N 2.66Å; V132-R137 VanDerWaalsContact CA-CD 3.46Å; V132-R137 WeakPolarHBondContact O-CD 3.29Å; V132-F163 HydrophobicContact CB-CD1 4.35Å; V132-F163 HydrophobicContact CB-CE1 4.43Å; V132-F163 HydrophobicContact CG1-CD1 3.63Å; V132-F163 HydrophobicContact CG1-CE1 3.81Å; V132-F163 HydrophobicContact CG1-CG 4.21Å; V132-F163 HydrophobicContact CG1-CZ 4.48Å; V132-F163 HydrophobicContact CG2-CB 4.19Å; V132-F163 HydrophobicContact CG2-CD1 3.87Å; V132-F163 HydrophobicContact CG2-CD2 3.58Å; V132-F163 HydrophobicContact CG2-CE1 4.14Å; V132-F163 HydrophobicContact CG2-CE2 3.85Å; V132-F163 HydrophobicContact CG2-CG 3.6Å; V132-F163 HydrophobicContact CG2-CZ 4.13Å
133	H	98	Very high	96.7	Very high	13 Å²	13	22.5 Å²	22.5	6%	0.06	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.1	179.6	-54.5	-44	0	0	0	114	I108 K109 G129 S131 V158 F294	I108-H133 HydrophobicContact CG2-CB 4.05Å; K109-H133 HydrophobicContact CB-CB 3.95Å; K109-H133 HydrophobicContact CD-CB 3.89Å; G129-H133 PolarHBondContact O-CD2 3.29Å; S131-H133 PolarHBondContact O-N 3.35Å; S131-H133 VanDerWaalsContact O-N 3.09Å; H133-V158 PolarHBondContact CE1-O 2.89Å; H133-V158 PolarHBondContact NE2-O 3.06Å; H133-F294 AromaticContact CD2-CZ 3.9Å; H133-F294 AromaticContact CE1-CE2 3.36Å; H133-F294 WeakPolarHBondContact CE1-CE2 3.26Å; H133-F294 AromaticContact CE1-CZ 3.87Å; H133-F294 AromaticContact CG-CE2 3.88Å; H133-F294 AromaticContact CG-CZ 3.97Å; H133-F294 AromaticContact ND1-CE2 3.39Å; H133-F294 WeakPolarHBondContact ND1-CE2 3.48Å; H133-F294 AromaticContact ND1-CZ 3.96Å; H133-F294 AromaticContact NE2-CE2 3.78Å; H133-F294 AromaticContact NE2-CZ 3.81Å
134	S	95.1	Very high	96.7	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.028	12%	0.115	C	C	.	.	S	Bend	trans	-72.5	159.6	177.3	80.1	0	0	0	0	111.7	S131 F136 R137	S131-S134 VanDerWaalsContact O-CB 3.31Å; S131-S134 WeakPolarHBondContact O-CB 3.21Å; S131-S134 PolarHBondContact O-N 3.24Å; S131-S134 PolarHBondContact O-OG 3.15Å; S134-F136 VanDerWaalsContact C-N 3.34Å; S134-F136 PolarHBondContact OG-O 2.98Å; S134-R137 PolarHBondContact O-NH1 3.28Å; S134-R137 WeakPolarHBondContact OG-CG 3.43Å
135	L	90.7	Very high	96.7	Very high	113 Å²	113	24.3 Å²	24.3	59%	0.592	11%	0.11	S	C	*	.	S	Bend	trans	-65.1	-38.9	175.6	-69.4	174.1	0	0	0	112.1
136	F	94.4	Very high	96.8	Very high	41 Å²	41	24.1 Å²	24.1	18%	0.18	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.3	-173.9	-56.5	-80.3	0	0	0	111.4	F115 V116 A117 S134 H195 L215 V218	F115-F136 PolarHBondContact O-N 3.18Å; V116-F136 CarbonylContact C-O 3.56Å; V116-F136 WeakPolarHBondContact CA-O 3.44Å; V116-F136 HydrophobicContact CB-CB 4.28Å; V116-F136 HydrophobicContact CG1-CB 4.15Å; V116-F136 HydrophobicContact CG2-CB 3.95Å; V116-F136 HydrophobicContact CG2-CD2 4.1Å; V116-F136 HydrophobicContact CG2-CG 4.33Å; A117-F136 PolarHBondContact N-O 3.29Å; S134-F136 VanDerWaalsContact C-N 3.34Å; S134-F136 PolarHBondContact OG-O 2.98Å; F136-H195 AromaticContact CD1-CE1 3.58Å; F136-L215 HydrophobicContact CE2-CD2 3.89Å; F136-L215 HydrophobicContact CZ-CD2 4.3Å; F136-V218 HydrophobicContact CB-CG1 4.27Å; F136-V218 HydrophobicContact CD1-CG1 3.31Å; F136-V218 HydrophobicContact CD2-CG1 3.69Å; F136-V218 HydrophobicContact CE1-CB 4.39Å; F136-V218 HydrophobicContact CE1-CG1 3.36Å; F136-V218 HydrophobicContact CE2-CB 4.39Å; F136-V218 HydrophobicContact CE2-CG1 3.73Å; F136-V218 HydrophobicContact CG-CG1 3.48Å; F136-V218 VanDerWaalsContact CG-CG1 3.48Å; F136-V218 HydrophobicContact CZ-CB 4.24Å; F136-V218 HydrophobicContact CZ-CG1 3.56Å
137	R	96.6	Very high	96.9	Very high	37 Å²	37	23.9 Å²	23.9	14%	0.14	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	103.2	-175.4	-60.3	172.2	-58	-82	12	107.3	A117 S131 V132 S134 V192 T194 H195	A117-R137 CarbonylContact O-C 3.51Å; A117-R137 WeakPolarHBondContact O-CA 3.46Å; S131-R137 VanDerWaalsContact O-CD 3.26Å; S131-R137 WeakPolarHBondContact O-CD 3.46Å; S131-R137 VanDerWaalsContact O-CG 3.32Å; S131-R137 WeakPolarHBondContact O-CG 3.46Å; V132-R137 VanDerWaalsContact CA-CD 3.46Å; V132-R137 WeakPolarHBondContact O-CD 3.29Å; S134-R137 PolarHBondContact O-NH1 3.28Å; S134-R137 WeakPolarHBondContact OG-CG 3.43Å; R137-V192 WeakPolarHBondContact CD-O 3.3Å; R137-V192 PolarHBondContact NE-O 3.22Å; R137-T194 VanDerWaalsContact CZ-CG2 3.48Å; R137-T194 PolarHBondContact N-OG1 2.62Å; R137-T194 PolarHBondContact O-N 3.12Å; R137-T194 PolarHBondContact O-OG1 3.44Å; R137-H195 PolarHBondContact O-N 3.44Å
138	V	95.5	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	108.8	-171.6	-172.8	0	0	0	0	108.5	V116 A117 L118 I119 H195 I197 L205	V116-V138 HydrophobicContact CG1-CG2 3.9Å; A117-V138 PolarHBondContact O-N 2.92Å; L118-V138 HydrophobicContact CD1-CB 3.97Å; L118-V138 HydrophobicContact CD1-CG1 3.95Å; I119-V138 VanDerWaalsContact CG1-O 3.22Å; I119-V138 WeakPolarHBondContact CG1-O 3.09Å; I119-V138 PolarHBondContact N-O 3.41Å; V138-H195 HydrophobicContact CB-CB 4.4Å; V138-H195 HydrophobicContact CG1-CB 4.26Å; V138-H195 HydrophobicContact CG2-CB 4.08Å; V138-I197 HydrophobicContact CG1-CD1 3.83Å; V138-I197 HydrophobicContact CG1-CG1 3.76Å; V138-I197 HydrophobicContact CG1-CG2 4.11Å; V138-L205 HydrophobicContact CB-CD2 4.35Å; V138-L205 HydrophobicContact CG1-CD2 3.82Å; V138-L205 HydrophobicContact CG2-CD2 4.21Å
139	A	96.6	Very high	96.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	158.6	174.4	0	0	0	0	0	111.6	I119 T143 V187 A193 H195 F196 I197	I119-A139 HydrophobicContact CD1-CB 4.2Å; I119-A139 HydrophobicContact CG1-CB 4.2Å; A139-T143 WeakPolarHBondContact CA-OG1 3.34Å; A139-T143 HydrophobicContact CB-CG2 4.1Å; A139-V187 HydrophobicContact CB-CB 4.42Å; A139-A193 HydrophobicContact CB-CB 3.69Å; A139-H195 PolarHBondContact N-O 3.04Å; A139-F196 HydrophobicContact CB-CD2 4.13Å; A139-F196 WeakPolarHBondContact O-CA 3.35Å; A139-I197 PolarHBondContact O-N 3.18Å
140	T	95.3	Very high	96.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.121	C	C	.	.			trans	-125.6	174.7	174	76.4	0	0	0	0	109.4	D120 R142 T143 G184 F196 I197 T202	D120-T140 HydrophobicContact CB-CG2 3.95Å; D120-T140 WeakPolarHBondContact OD1-CB 3.33Å; D120-T140 WeakPolarHBondContact OD1-CG2 3.35Å; D120-T140 PolarHBondContact OD1-OG1 2.97Å; T140-R142 PolarHBondContact O-N 3.15Å; T140-R142 VanDerWaalsContact O-N 3.13Å; T140-R142 PolarHBondContact OG1-N 2.79Å; T140-T143 PolarHBondContact N-OG1 2.85Å; T140-T143 WeakPolarHBondContact O-CB 3.48Å; T140-T143 PolarHBondContact O-N 2.84Å; T140-T143 PolarHBondContact O-OG1 2.95Å; T140-G184 WeakPolarHBondContact O-CA 3.25Å; T140-F196 WeakPolarHBondContact O-CE2 3.21Å; T140-I197 WeakPolarHBondContact CA-O 3.33Å; T140-I197 HydrophobicContact CG2-CG1 4.26Å; T140-T202 HydrophobicContact CG2-CG2 3.65Å
141	R	94.4	Very high	96.9	Very high	131 Å²	131	27 Å²	27	49%	0.494	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.8	170.9	-92.9	-174.2	60	86.2	0.9	114	T143 F196 E227	R141-T143 VanDerWaalsContact C-N 3.35Å; R141-F196 HydrophobicContact CG-CZ 3.92Å; R141-E227 IonicContact CZ-OE2 3.77Å; R141-E227 IonicContact NH1-OE1 2.72Å; R141-E227 IonicContact NH1-OE2 3.79Å; R141-E227 PolarHBondContact NH1-OE2 3.05Å
142	R	96.3	Very high	96.8	Very high	81 Å²	81	27.8 Å²	27.8	31%	0.306	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-15.9	178.5	-63.8	-171.2	-71.7	-105.1	2.9	113	D120 G121 T140 M144 E199	D120-R142 VanDerWaalsContact CG-NH2 3.32Å; D120-R142 IonicContact OD1-CZ 2.74Å; D120-R142 IonicContact OD1-NE 3.68Å; D120-R142 PolarHBondContact OD1-NE 2.85Å; D120-R142 IonicContact OD1-NH2 3.16Å; D120-R142 PolarHBondContact OD1-NH2 3.44Å; D120-R142 IonicContact OD2-CZ 3.8Å; D120-R142 IonicContact OD2-NE 3.6Å; D120-R142 PolarHBondContact OD2-NE 2.73Å; D120-R142 IonicContact OD2-NH2 2.99Å; D120-R142 PolarHBondContact OD2-NH2 3.04Å; G121-R142 WeakPolarHBondContact CA-O 3.26Å; T140-R142 PolarHBondContact O-N 3.15Å; T140-R142 VanDerWaalsContact O-N 3.13Å; T140-R142 PolarHBondContact OG1-N 2.79Å; R142-M144 PolarHBondContact O-N 3.05Å; R142-E199 HydrophobicContact CG-CB 4.46Å; R142-E199 VanDerWaalsContact CZ-CB 3.47Å; R142-E199 VanDerWaalsContact NH1-CB 3.33Å; R142-E199 VanDerWaalsContact NH1-CG 3.3Å; R142-E199 PolarHBondContact NH2-O 2.93Å
143	T	98.2	Very high	96.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	13%	0.126	C	C	.	.			trans	-59	128.8	-176.1	-57.6	0	0	0	0	110.8	I119 G121 V123 A139 T140 R141 T183 G184 V187	I119-T143 HydrophobicContact CD1-CG2 4.12Å; I119-T143 HydrophobicContact CG1-CG2 4.21Å; I119-T143 WeakPolarHBondContact O-CB 3.31Å; I119-T143 VanDerWaalsContact O-CG2 3.22Å; I119-T143 WeakPolarHBondContact O-CG2 3.35Å; I119-T143 PolarHBondContact O-OG1 3.18Å; G121-T143 CarbonylContact O-C 3.56Å; G121-T143 VanDerWaalsContact O-CA 3.24Å; G121-T143 WeakPolarHBondContact O-CA 3.02Å; V123-T143 HydrophobicContact CG1-CG2 3.82Å; A139-T143 WeakPolarHBondContact CA-OG1 3.34Å; A139-T143 HydrophobicContact CB-CG2 4.1Å; T140-T143 PolarHBondContact N-OG1 2.85Å; T140-T143 WeakPolarHBondContact O-CB 3.48Å; T140-T143 PolarHBondContact O-N 2.84Å; T140-T143 PolarHBondContact O-OG1 2.95Å; R141-T143 VanDerWaalsContact C-N 3.35Å; T143-T183 CarbonylContact O-C 3.43Å; T143-T183 WeakPolarHBondContact O-CA 3.14Å; T143-G184 PolarHBondContact O-N 3.24Å; T143-V187 HydrophobicContact CG2-CB 4.45Å; T143-V187 HydrophobicContact CG2-CG1 4.34Å; T143-V187 HydrophobicContact CG2-CG2 3.95Å
144	M	98.7	Very high	96.7	Very high	58 Å²	58	26.8 Å²	26.8	29%	0.286	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	105	173.3	-176.7	-177.9	-64.6	0	0	108.9	G121 V123 M124 R142 R181 L182 T183	G121-M144 PolarHBondContact O-N 2.75Å; V123-M144 PolarHBondContact N-O 3.4Å; M124-M144 HydrophobicContact CE-CG 3.77Å; M124-M144 HydrophobicContact CE-SD 3.74Å; R142-M144 PolarHBondContact O-N 3.05Å; M144-R181 HydrophobicContact CG-CB 4.3Å; M144-R181 HydrophobicContact CG-CG 4.34Å; M144-R181 HydrophobicContact SD-CG 4.4Å; M144-L182 WeakPolarHBondContact CA-O 3.37Å; M144-T183 HydrophobicContact CE-CG2 4.46Å; M144-T183 HydrophobicContact CG-CG2 4.41Å
145	F	98.8	Very high	96.9	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.009	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	136.4	-179.1	169.3	-88	0	0	0	111.2	V123 V128 M147 F163 L175 R181 L182 V187 V192	V123-F145 HydrophobicContact CG1-CB 4.04Å; V123-F145 HydrophobicContact CG1-CD2 4.38Å; V123-F145 VanDerWaalsContact O-CA 3.29Å; V123-F145 WeakPolarHBondContact O-CA 3.5Å; V128-F145 HydrophobicContact CB-CE2 4.13Å; V128-F145 HydrophobicContact CG1-CD2 4.5Å; V128-F145 HydrophobicContact CG1-CE2 3.59Å; V128-F145 HydrophobicContact CG1-CZ 4.37Å; V128-F145 HydrophobicContact CG2-CD2 3.67Å; V128-F145 HydrophobicContact CG2-CE2 3.37Å; V128-F145 HydrophobicContact CG2-CZ 4.32Å; F145-M147 HydrophobicContact CE1-CG 4.4Å; F145-M147 HydrophobicContact CE2-SD 4.49Å; F145-M147 HydrophobicContact CZ-CG 3.9Å; F145-M147 HydrophobicContact CZ-SD 4.28Å; F145-F163 HydrophobicContact CE2-CZ 4.38Å; F145-F163 HydrophobicContact CZ-CE2 4.04Å; F145-F163 HydrophobicContact CZ-CZ 4.02Å; F145-L175 HydrophobicContact CE1-CD1 4.32Å; F145-R181 CarbonylContact O-C 3.6Å; F145-R181 VanDerWaalsContact O-CA 3.27Å; F145-R181 WeakPolarHBondContact O-CA 3.48Å; F145-L182 HydrophobicContact CB-CB 4.31Å; F145-L182 HydrophobicContact CD1-CB 4.23Å; F145-L182 HydrophobicContact CD1-CD1 4.05Å; F145-L182 HydrophobicContact CD1-CG 4.21Å; F145-L182 PolarHBondContact N-O 3.49Å; F145-L182 PolarHBondContact O-N 3.39Å; F145-V187 HydrophobicContact CB-CG1 4.05Å; F145-V187 HydrophobicContact CB-CG2 3.91Å; F145-V192 HydrophobicContact CD2-CG1 3.6Å; F145-V192 HydrophobicContact CE1-CG2 4.25Å; F145-V192 HydrophobicContact CE2-CG1 3.54Å; F145-V192 HydrophobicContact CG-CG1 4.09Å; F145-V192 HydrophobicContact CZ-CG1 4.04Å; F145-V192 HydrophobicContact CZ-CG2 4.23Å
146	A	98.7	Very high	97.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	156.2	165.6	0	0	0	0	0	112.5	V123 M124 G125 P148 R181	V123-A146 PolarHBondContact O-N 3.13Å; M124-A146 VanDerWaalsContact CA-O 3.26Å; M124-A146 WeakPolarHBondContact CA-O 3.5Å; M124-A146 HydrophobicContact CE-CB 4.02Å; M124-A146 HydrophobicContact CG-CB 4.05Å; M124-A146 HydrophobicContact SD-CB 4.21Å; G125-A146 PolarHBondContact N-O 3.42Å; A146-P148 WeakPolarHBondContact O-CD 2.9Å; A146-R181 HydrophobicContact CB-CG 3.87Å
147	M	98.6	Very high	97.5	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	9%	0.089	C	C	.	.			trans	-113.7	81.8	166.4	-61.9	-57.9	-63.6	0	0	108.2	V128 F145 E149 P156 V158 F163 L164 G179	V128-M147 HydrophobicContact CB-SD 3.79Å; V128-M147 HydrophobicContact CG1-SD 3.89Å; V128-M147 HydrophobicContact CG2-SD 3.67Å; F145-M147 HydrophobicContact CE1-CG 4.4Å; F145-M147 HydrophobicContact CE2-SD 4.49Å; F145-M147 HydrophobicContact CZ-CG 3.9Å; F145-M147 HydrophobicContact CZ-SD 4.28Å; M147-E149 VanDerWaalsContact C-N 3.28Å; M147-E149 WeakPolarHBondContact CA-OE2 3.26Å; M147-E149 VanDerWaalsContact CB-OE2 3.24Å; M147-E149 WeakPolarHBondContact CB-OE2 3.24Å; M147-E149 PolarHBondContact O-N 3.21Å; M147-P156 HydrophobicContact CB-CB 4.01Å; M147-P156 HydrophobicContact CB-CG 4.1Å; M147-P156 HydrophobicContact CE-CB 3.78Å; M147-P156 HydrophobicContact CG-CB 4.44Å; M147-V158 HydrophobicContact CE-CG2 4.41Å; M147-F163 HydrophobicContact SD-CZ 4.35Å; M147-L164 HydrophobicContact CG-CD1 4.11Å; M147-L164 HydrophobicContact CG-CD2 4.44Å; M147-G179 VanDerWaalsContact O-CA 3.31Å; M147-G179 WeakPolarHBondContact O-CA 3.33Å
148	P	97.8	Very high	97.6	Very high	43 Å²	43	18 Å²	18	28%	0.279	8%	0.082	S	C	.	.			trans	-84.6	10.6	-169.8	36.4	-38.2	0	0	0	114.5	A146 T150 A151	A146-P148 WeakPolarHBondContact O-CD 2.9Å; P148-T150 VanDerWaalsContact C-N 3.32Å; P148-T150 PolarHBondContact O-N 3.2Å; P148-A151 WeakPolarHBondContact O-CB 3.1Å; P148-A151 PolarHBondContact O-N 3.28Å
149	E	98.3	Very high	97.7	Very high	10 Å²	10	18 Å²	18	5%	0.047	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-63.7	-32.5	-164.1	-66.2	76.1	-156.2	0	0	113.5	G125 M147 A151 I152 G153 F154 F155 P156	G125-E149 WeakPolarHBondContact CA-OE1 3.2Å; M147-E149 VanDerWaalsContact C-N 3.28Å; M147-E149 WeakPolarHBondContact CA-OE2 3.26Å; M147-E149 VanDerWaalsContact CB-OE2 3.24Å; M147-E149 WeakPolarHBondContact CB-OE2 3.24Å; M147-E149 PolarHBondContact O-N 3.21Å; E149-A151 PolarHBondContact O-N 2.85Å; E149-I152 WeakPolarHBondContact O-CG1 3.25Å; E149-I152 PolarHBondContact O-N 3.33Å; E149-G153 PolarHBondContact O-N 3.44Å; E149-F154 CarbonylContact C-O 3.6Å; E149-F154 HydrophobicContact CB-CB 4.08Å; E149-F154 HydrophobicContact CB-CD1 4.26Å; E149-F154 HydrophobicContact CG-CD1 4.14Å; E149-F154 CarbonylContact O-C 3.51Å; E149-F154 WeakPolarHBondContact O-CA 3.24Å; E149-F154 PolarHBondContact O-N 3.36Å; E149-F155 VanDerWaalsContact CB-O 3.31Å; E149-F155 WeakPolarHBondContact CB-O 3.29Å; E149-F155 WeakPolarHBondContact CG-O 3.48Å; E149-P156 WeakPolarHBondContact OE2-CA 3.11Å
150	T	98.4	Very high	97.8	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-62.9	-24.3	177.6	57	0	0	0	0	113.1	P148 I152 F154 A176 L177 S275 T282	P148-T150 VanDerWaalsContact C-N 3.32Å; P148-T150 PolarHBondContact O-N 3.2Å; T150-I152 VanDerWaalsContact C-N 3.32Å; T150-F154 WeakPolarHBondContact CA-O 3.47Å; T150-A176 WeakPolarHBondContact CG2-O 3.37Å; T150-L177 PolarHBondContact OG1-O 2.68Å; T150-S275 PolarHBondContact O-N 3.36Å; T150-T282 HydrophobicContact CG2-CG2 4.38Å; T150-T282 WeakPolarHBondContact CG2-OG1 3.3Å
151	A	97.7	Very high	98	Very high	14 Å²	14	18 Å²	18	12%	0.116	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-77.8	-16.7	176.8	0	0	0	0	0	113.2	P148 E149 M274 V321 W331	P148-A151 WeakPolarHBondContact O-CB 3.1Å; P148-A151 PolarHBondContact O-N 3.28Å; E149-A151 PolarHBondContact O-N 2.85Å; A151-M274 VanDerWaalsContact CA-SD 3.55Å; A151-M274 HydrophobicContact CB-CE 4.34Å; A151-M274 HydrophobicContact CB-SD 3.64Å; A151-V321 WeakPolarHBondContact O-CG2 3.43Å; A151-W331 WeakPolarHBondContact O-CH2 3.12Å
152	I	96.5	Very high	98.2	Very high	21 Å²	21	14.5 Å²	14.5	11%	0.108	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-109.6	17.8	177.5	61.8	164.2	0	0	0	112.2	I75 E149 T150 F154 F314 V318 V321	I75-I152 HydrophobicContact CG2-CD1 4.45Å; E149-I152 WeakPolarHBondContact O-CG1 3.25Å; E149-I152 PolarHBondContact O-N 3.33Å; T150-I152 VanDerWaalsContact C-N 3.32Å; I152-F154 VanDerWaalsContact C-N 3.27Å; I152-F154 HydrophobicContact CD1-CB 4.25Å; I152-F154 HydrophobicContact CG1-CB 4.04Å; I152-F154 PolarHBondContact O-N 3.08Å; I152-F314 HydrophobicContact CD1-CE2 4.45Å; I152-F314 WeakPolarHBondContact O-CA 3.46Å; I152-V318 HydrophobicContact CB-CG2 4.3Å; I152-V321 HydrophobicContact CG2-CB 4.04Å; I152-V321 HydrophobicContact CG2-CG1 4.26Å; I152-V321 HydrophobicContact CG2-CG2 4.14Å
153	G	97.5	Very high	98.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	26.2	-178.4	0	0	0	0	0	113.9	E149 S278 M308	E149-G153 PolarHBondContact O-N 3.44Å; G153-S278 VanDerWaalsContact CA-OG 3.26Å; G153-S278 WeakPolarHBondContact CA-OG 3.32Å; G153-S278 PolarHBondContact O-OG 3.31Å; G153-M308 VanDerWaalsContact O-CE 3.26Å; G153-M308 WeakPolarHBondContact O-CE 3.38Å
154	F	97.6	Very high	98.3	Very high	6 Å²	6	11.5 Å²	11.5	3%	0.026	6%	0.059	C	C	.	.			trans	-122	-170.2	175.8	-157	-119.1	0	0	0	110.5	F98 E149 T150 I152 D157 S278 M308 F314	F98-F154 HydrophobicContact CE1-CE1 4.14Å; F98-F154 AromaticContact CE1-CZ 3.75Å; F98-F154 HydrophobicContact CE1-CZ 3.75Å; F98-F154 HydrophobicContact CZ-CE1 4.46Å; F98-F154 HydrophobicContact CZ-CE2 4.3Å; F98-F154 AromaticContact CZ-CZ 3.79Å; F98-F154 HydrophobicContact CZ-CZ 3.79Å; E149-F154 CarbonylContact C-O 3.6Å; E149-F154 HydrophobicContact CB-CB 4.08Å; E149-F154 HydrophobicContact CB-CD1 4.26Å; E149-F154 HydrophobicContact CG-CD1 4.14Å; E149-F154 CarbonylContact O-C 3.51Å; E149-F154 WeakPolarHBondContact O-CA 3.24Å; E149-F154 PolarHBondContact O-N 3.36Å; T150-F154 WeakPolarHBondContact CA-O 3.47Å; I152-F154 VanDerWaalsContact C-N 3.27Å; I152-F154 HydrophobicContact CD1-CB 4.25Å; I152-F154 HydrophobicContact CG1-CB 4.04Å; I152-F154 PolarHBondContact O-N 3.08Å; F154-D157 HydrophobicContact CE1-CB 4.06Å; F154-S278 PolarHBondContact N-OG 2.83Å; F154-S278 WeakPolarHBondContact O-CB 3.36Å; F154-S278 PolarHBondContact O-OG 3.48Å; F154-M308 HydrophobicContact CD2-CB 3.89Å; F154-M308 HydrophobicContact CE2-CB 3.9Å; F154-F314 HydrophobicContact CB-CD2 4.03Å; F154-F314 HydrophobicContact CB-CE2 4.33Å; F154-F314 AromaticContact CD2-CD2 3.87Å; F154-F314 HydrophobicContact CD2-CD2 3.87Å; F154-F314 HydrophobicContact CD2-CE2 4.14Å; F154-F314 HydrophobicContact CG-CD2 4.22Å; F154-F314 HydrophobicContact CG-CE2 4.3Å
155	F	98.6	Very high	98.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.			trans	-128.6	151.2	-179.5	63.1	-82.1	0	0	0	110	E149 D157 V281 E301 L304 M308	E149-F155 VanDerWaalsContact CB-O 3.31Å; E149-F155 WeakPolarHBondContact CB-O 3.29Å; E149-F155 WeakPolarHBondContact CG-O 3.48Å; F155-D157 HydrophobicContact CD2-CB 4.07Å; F155-D157 HydrophobicContact CE2-CB 3.54Å; F155-D157 HydrophobicContact CZ-CB 4.04Å; F155-D157 PolarHBondContact O-N 3.14Å; F155-V281 HydrophobicContact CB-CG1 4.11Å; F155-V281 HydrophobicContact CG-CG1 4.36Å; F155-E301 HydrophobicContact CE2-CB 4Å; F155-E301 HydrophobicContact CE2-CG 4.06Å; F155-E301 VanDerWaalsContact CZ-O 3.3Å; F155-E301 WeakPolarHBondContact CZ-O 3.17Å; F155-L304 HydrophobicContact CD1-CB 4.04Å; F155-L304 HydrophobicContact CD2-CB 4.42Å; F155-L304 HydrophobicContact CD2-CD1 4.06Å; F155-L304 HydrophobicContact CE1-CB 3.44Å; F155-L304 VanDerWaalsContact CE1-CB 3.44Å; F155-L304 HydrophobicContact CE2-CB 3.88Å; F155-L304 HydrophobicContact CE2-CD1 4.02Å; F155-L304 HydrophobicContact CG-CD1 4.43Å; F155-L304 HydrophobicContact CZ-CB 3.37Å; F155-L304 HydrophobicContact CZ-CD1 4.38Å; F155-M308 HydrophobicContact CD1-CB 4.29Å; F155-M308 HydrophobicContact CD1-CG 3.87Å; F155-M308 HydrophobicContact CE1-CB 4.23Å; F155-M308 HydrophobicContact CE1-CG 4.07Å
156	P	98.6	Very high	98.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.			trans	-59.1	106.2	172.7	-29.2	38.9	0	0	0	110.5	M147 E149 L164 A176 T282 Q285	M147-P156 HydrophobicContact CB-CB 4.01Å; M147-P156 HydrophobicContact CB-CG 4.1Å; M147-P156 HydrophobicContact CE-CB 3.78Å; M147-P156 HydrophobicContact CG-CB 4.44Å; E149-P156 WeakPolarHBondContact OE2-CA 3.11Å; P156-L164 HydrophobicContact CB-CD1 3.9Å; P156-A176 HydrophobicContact CB-CB 4.43Å; P156-A176 HydrophobicContact CG-CB 3.9Å; P156-A176 WeakPolarHBondContact CG-O 3.32Å; P156-T282 VanDerWaalsContact CD-OG1 3.3Å; P156-T282 WeakPolarHBondContact CD-OG1 3.49Å; P156-T282 HydrophobicContact CG-CG2 4.1Å; P156-Q285 PolarHBondContact O-NE2 2.95Å
157	D	98.4	Very high	98.2	Very high	9 Å²	9	15.2 Å²	15.2	5%	0.048	7%	0.073	C	C	.	.			trans	-107.1	-155	-175.5	69.4	-31.8	0	0	0	110.5	Y102 F154 F155 G159 G160	Y102-D157 HydrophobicContact CE1-CB 4.3Å; Y102-D157 WeakPolarHBondContact OH-CB 3.12Å; Y102-D157 PolarHBondContact OH-OD2 3.5Å; Y102-D157 VanDerWaalsContact OH-OD2 3.08Å; F154-D157 HydrophobicContact CE1-CB 4.06Å; F155-D157 HydrophobicContact CD2-CB 4.07Å; F155-D157 HydrophobicContact CE2-CB 3.54Å; F155-D157 HydrophobicContact CZ-CB 4.04Å; F155-D157 PolarHBondContact O-N 3.14Å; D157-G159 PolarHBondContact O-N 2.85Å; D157-G159 VanDerWaalsContact O-N 3.13Å; D157-G160 WeakPolarHBondContact O-CA 3.35Å; D157-G160 PolarHBondContact O-N 3.37Å
158	V	98.5	Very high	98.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	37.6	180	-61.4	0	0	0	0	113.6	E101 Y102 N105 G125 H133 M147 E301	E101-V158 HydrophobicContact CG-CG1 3.95Å; Y102-V158 HydrophobicContact CD1-CG1 4.29Å; Y102-V158 HydrophobicContact CE1-CG1 3.97Å; N105-V158 WeakPolarHBondContact OD1-CA 3.45Å; N105-V158 WeakPolarHBondContact OD1-CB 3.42Å; N105-V158 WeakPolarHBondContact OD1-CG1 3.22Å; G125-V158 WeakPolarHBondContact O-CG2 3.46Å; H133-V158 PolarHBondContact CE1-O 2.89Å; H133-V158 PolarHBondContact NE2-O 3.06Å; M147-V158 HydrophobicContact CE-CG2 4.41Å; V158-E301 PolarHBondContact N-OE2 2.71Å
159	G	98.4	Very high	98.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	10.5	-177.1	0	0	0	0	0	115.1	D157 S161 Y162 F163 E301	D157-G159 PolarHBondContact O-N 2.85Å; D157-G159 VanDerWaalsContact O-N 3.13Å; G159-S161 PolarHBondContact O-N 3.27Å; G159-Y162 WeakPolarHBondContact O-CA 3.38Å; G159-Y162 WeakPolarHBondContact O-CB 3.41Å; G159-Y162 PolarHBondContact O-N 3.06Å; G159-F163 WeakPolarHBondContact O-CD1 3.13Å; G159-F163 PolarHBondContact O-N 3.31Å; G159-E301 VanDerWaalsContact C-OE1 3.31Å; G159-E301 VanDerWaalsContact CA-OE1 3.27Å; G159-E301 WeakPolarHBondContact CA-OE1 3.2Å; G159-E301 PolarHBondContact N-OE1 2.89Å; G159-E301 PolarHBondContact N-OE2 2.97Å
160	G	98.7	Very high	98.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-46.6	-45.9	168.4	0	0	0	0	0	112.2	D157 Y162 L164 P165 E301	D157-G160 WeakPolarHBondContact O-CA 3.35Å; D157-G160 PolarHBondContact O-N 3.37Å; G160-Y162 PolarHBondContact O-N 3.5Å; G160-Y162 VanDerWaalsContact O-N 3.16Å; G160-L164 WeakPolarHBondContact O-CB 3.47Å; G160-L164 WeakPolarHBondContact O-CD1 3.42Å; G160-L164 WeakPolarHBondContact O-CG 3.21Å; G160-L164 PolarHBondContact O-N 3.29Å; G160-L164 VanDerWaalsContact O-N 3.12Å; G160-P165 WeakPolarHBondContact O-CD 3.43Å; G160-E301 PolarHBondContact N-OE1 2.84Å
161	S	98.7	Very high	98.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.5	-17.3	178.8	86	0	0	0	0	113.3	G159 P165 G289 C297 M300 E301	G159-S161 PolarHBondContact O-N 3.27Å; S161-P165 WeakPolarHBondContact O-CD 3.42Å; S161-P165 WeakPolarHBondContact O-CG 3.44Å; S161-G289 CarbonylContact O-C 3.59Å; S161-G289 VanDerWaalsContact O-C 3.31Å; S161-G289 VanDerWaalsContact O-CA 3.22Å; S161-G289 WeakPolarHBondContact O-CA 3.36Å; S161-C297 WeakPolarHBondContact OG-CB 3.46Å; S161-C297 PolarHBondContact OG-SG 3.3Å; S161-C297 VanDerWaalsContact OG-SG 3.39Å; S161-M300 VanDerWaalsContact OG-CE 3.29Å; S161-M300 WeakPolarHBondContact OG-CE 3.41Å; S161-E301 WeakPolarHBondContact CB-OE1 3.35Å; S161-E301 PolarHBondContact N-OE1 3Å; S161-E301 PolarHBondContact OG-OE1 2.94Å; S161-E301 VanDerWaalsContact OG-OE1 3.09Å
162	Y	98.7	Very high	98.2	Very high	59 Å²	59	18.2 Å²	18.2	23%	0.231	10%	0.1	C	C	.	.	H	α-helix	trans	-89.1	-58.3	174.9	-175.2	-96.9	0	0	0	112	G159 G160 R166 F294	G159-Y162 WeakPolarHBondContact O-CA 3.38Å; G159-Y162 WeakPolarHBondContact O-CB 3.41Å; G159-Y162 PolarHBondContact O-N 3.06Å; G160-Y162 PolarHBondContact O-N 3.5Å; G160-Y162 VanDerWaalsContact O-N 3.16Å; Y162-R166 VanDerWaalsContact O-CD 3.23Å; Y162-R166 WeakPolarHBondContact O-CD 3.28Å; Y162-R166 WeakPolarHBondContact O-CG 3.43Å; Y162-R166 PolarHBondContact O-NH1 3.11Å; Y162-F294 AromaticContact CD1-CD2 3.76Å; Y162-F294 HydrophobicContact CD1-CD2 3.76Å; Y162-F294 HydrophobicContact CD1-CE2 4.4Å; Y162-F294 HydrophobicContact CD2-CB 4.1Å; Y162-F294 HydrophobicContact CD2-CD2 4.09Å; Y162-F294 HydrophobicContact CE1-CD2 4.24Å; Y162-F294 HydrophobicContact CE2-CB 4.05Å; Y162-F294 AromaticContact CG-CD2 3.67Å; Y162-F294 HydrophobicContact CG-CD2 3.67Å; Y162-F294 HydrophobicContact CG-CE2 4.42Å
163	F	98.6	Very high	98.3	Very high	19 Å²	19	17.5 Å²	17.5	8%	0.083	10%	0.097	C	C	.	.	H	α-helix	trans	-82.2	-36.3	-168.7	82.2	-92.1	0	0	0	113.4	V128 V132 F145 M147 G159 R166 L167	V128-F163 HydrophobicContact CG1-CE1 3.92Å; V128-F163 HydrophobicContact CG1-CZ 3.72Å; V132-F163 HydrophobicContact CB-CD1 4.35Å; V132-F163 HydrophobicContact CB-CE1 4.43Å; V132-F163 HydrophobicContact CG1-CD1 3.63Å; V132-F163 HydrophobicContact CG1-CE1 3.81Å; V132-F163 HydrophobicContact CG1-CG 4.21Å; V132-F163 HydrophobicContact CG1-CZ 4.48Å; V132-F163 HydrophobicContact CG2-CB 4.19Å; V132-F163 HydrophobicContact CG2-CD1 3.87Å; V132-F163 HydrophobicContact CG2-CD2 3.58Å; V132-F163 HydrophobicContact CG2-CE1 4.14Å; V132-F163 HydrophobicContact CG2-CE2 3.85Å; V132-F163 HydrophobicContact CG2-CG 3.6Å; V132-F163 HydrophobicContact CG2-CZ 4.13Å; F145-F163 HydrophobicContact CE2-CZ 4.38Å; F145-F163 HydrophobicContact CZ-CE2 4.04Å; F145-F163 HydrophobicContact CZ-CZ 4.02Å; M147-F163 HydrophobicContact SD-CZ 4.35Å; G159-F163 WeakPolarHBondContact O-CD1 3.13Å; G159-F163 PolarHBondContact O-N 3.31Å; F163-R166 PolarHBondContact O-N 2.9Å; F163-L167 PolarHBondContact O-N 3.31Å
164	L	98.8	Very high	98.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-63	-49.7	-176.6	-65.8	163.4	0	0	0	112.9	M147 P156 G160 R166 L167 G172 L175 A176 M286	M147-L164 HydrophobicContact CG-CD1 4.11Å; M147-L164 HydrophobicContact CG-CD2 4.44Å; P156-L164 HydrophobicContact CB-CD1 3.9Å; G160-L164 WeakPolarHBondContact O-CB 3.47Å; G160-L164 WeakPolarHBondContact O-CD1 3.42Å; G160-L164 WeakPolarHBondContact O-CG 3.21Å; G160-L164 PolarHBondContact O-N 3.29Å; G160-L164 VanDerWaalsContact O-N 3.12Å; L164-R166 PolarHBondContact O-N 3.01Å; L164-L167 HydrophobicContact CD2-CD1 4.4Å; L164-L167 WeakPolarHBondContact O-CB 3.5Å; L164-L167 PolarHBondContact O-N 3.34Å; L164-G172 VanDerWaalsContact O-CA 3.28Å; L164-G172 WeakPolarHBondContact O-CA 3.43Å; L164-L175 HydrophobicContact CD2-CB 4.49Å; L164-A176 HydrophobicContact CD1-CB 3.93Å; L164-M286 HydrophobicContact CB-SD 3.7Å; L164-M286 HydrophobicContact CD1-CE 4.33Å; L164-M286 HydrophobicContact CD1-SD 4.18Å
165	P	98.4	Very high	98.4	Very high	12 Å²	12	17.5 Å²	17.5	8%	0.078	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-71.1	-2	-179.5	29.8	-34.7	0	0	0	113.5	G160 S161 M286 R290	G160-P165 WeakPolarHBondContact O-CD 3.43Å; S161-P165 WeakPolarHBondContact O-CD 3.42Å; S161-P165 WeakPolarHBondContact O-CG 3.44Å; P165-M286 HydrophobicContact CB-CB 4.38Å; P165-M286 VanDerWaalsContact CB-O 3.26Å; P165-M286 WeakPolarHBondContact CB-O 3.48Å; P165-M286 WeakPolarHBondContact CG-O 3.4Å; P165-M286 HydrophobicContact CG-SD 4.42Å; P165-R290 HydrophobicContact CB-CB 4.06Å; P165-R290 HydrophobicContact CB-CG 4.38Å; P165-R290 HydrophobicContact CG-CB 4.43Å
166	R	98.1	Very high	98.5	Very high	101 Å²	101	17.5 Å²	17.5	38%	0.381	10%	0.097	S	C	.	.	G	3₁₀ helix	trans	-99.1	-4.4	174.8	-67.1	175.8	171.5	72.4	-1.2	113	Y162 F163 L164 G289 R290 M292	Y162-R166 VanDerWaalsContact O-CD 3.23Å; Y162-R166 WeakPolarHBondContact O-CD 3.28Å; Y162-R166 WeakPolarHBondContact O-CG 3.43Å; Y162-R166 PolarHBondContact O-NH1 3.11Å; F163-R166 PolarHBondContact O-N 2.9Å; L164-R166 PolarHBondContact O-N 3.01Å; R166-G289 PolarHBondContact NH1-O 3.36Å; R166-G289 PolarHBondContact NH2-O 2.79Å; R166-R290 PolarHBondContact NH2-O 3.17Å; R166-R290 VanDerWaalsContact NH2-O 3.17Å; R166-M292 PolarHBondContact NH2-O 3.25Å
167	L	98.2	Very high	98.5	Very high	25 Å²	25	17.5 Å²	17.5	13%	0.131	10%	0.097	C	C	.	.	S	Bend	trans	-71.1	153.2	168.9	-56.9	-172.7	0	0	0	110.7	F163 L164 L171 L175 V192	F163-L167 PolarHBondContact O-N 3.31Å; L164-L167 HydrophobicContact CD2-CD1 4.4Å; L164-L167 WeakPolarHBondContact O-CB 3.5Å; L164-L167 PolarHBondContact O-N 3.34Å; L167-L171 HydrophobicContact CB-CB 4.36Å; L167-L175 HydrophobicContact CD1-CD1 4.15Å; L167-V192 HydrophobicContact CD1-CG2 3.96Å
168	A	97.1	Very high	98.5	Very high	75 Å²	75	17.1 Å²	17.1	62%	0.62	10%	0.095	S	C	*	.	G	3₁₀ helix	trans	-65.9	147.8	-175.3	0	0	0	0	0	112.9	N170 L171	A168-N170 VanDerWaalsContact C-N 3.31Å; A168-N170 PolarHBondContact O-N 3.12Å; A168-L171 WeakPolarHBondContact O-CB 3.12Å; A168-L171 PolarHBondContact O-N 2.92Å
169	G	97.5	Very high	98.4	Very high	21 Å²	21	17.3 Å²	17.3	22%	0.216	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	57.7	34.4	169.5	0	0	0	0	0	115.2	L171 E241	G169-L171 PolarHBondContact O-N 3.01Å; G169-L171 VanDerWaalsContact O-N 3.07Å; G169-E241 VanDerWaalsContact O-CA 3.26Å; G169-E241 WeakPolarHBondContact O-CA 3.43Å; G169-E241 PolarHBondContact O-N 3.26Å
170	N	98.3	Very high	98.4	Very high	30 Å²	30	19.2 Å²	19.2	16%	0.16	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	58.4	16.6	-174.4	-57.5	-50.1	0	0	0	114.9	A168 G172 I173 F174 E241 F244 S245	A168-N170 VanDerWaalsContact C-N 3.31Å; A168-N170 PolarHBondContact O-N 3.12Å; N170-G172 VanDerWaalsContact C-N 3.27Å; N170-G172 PolarHBondContact O-N 2.86Å; N170-I173 HydrophobicContact CB-CD1 4.34Å; N170-I173 WeakPolarHBondContact O-CB 3.21Å; N170-I173 PolarHBondContact O-N 3.4Å; N170-F174 PolarHBondContact O-N 3.29Å; N170-F174 VanDerWaalsContact O-N 3.16Å; N170-E241 PolarHBondContact ND2-O 3.31Å; N170-F244 HydrophobicContact CB-CB 3.99Å; N170-S245 WeakPolarHBondContact ND2-CB 3.45Å
171	L	98.7	Very high	98.4	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-53.9	-44.1	179.6	176.2	62.9	0	0	0	112	L167 A168 G169 I173 F174 L175 A190 F231 L233 M237 I240	L167-L171 HydrophobicContact CB-CB 4.36Å; A168-L171 WeakPolarHBondContact O-CB 3.12Å; A168-L171 PolarHBondContact O-N 2.92Å; G169-L171 PolarHBondContact O-N 3.01Å; G169-L171 VanDerWaalsContact O-N 3.07Å; L171-I173 VanDerWaalsContact C-N 3.3Å; L171-I173 PolarHBondContact O-N 2.98Å; L171-F174 HydrophobicContact CD1-CD1 4.07Å; L171-F174 WeakPolarHBondContact O-CB 3.13Å; L171-F174 PolarHBondContact O-N 2.86Å; L171-L175 HydrophobicContact CD1-CD1 4.3Å; L171-L175 HydrophobicContact CD1-CG 4.22Å; L171-L175 HydrophobicContact CG-CD1 3.99Å; L171-L175 HydrophobicContact CG-CG 4.33Å; L171-L175 VanDerWaalsContact O-CG 3.29Å; L171-L175 WeakPolarHBondContact O-CG 3.46Å; L171-L175 PolarHBondContact O-N 3.03Å; L171-A190 HydrophobicContact CD2-CB 3.67Å; L171-F231 HydrophobicContact CD1-CZ 4.29Å; L171-F231 HydrophobicContact CD2-CE1 4.12Å; L171-F231 HydrophobicContact CD2-CZ 3.73Å; L171-L233 HydrophobicContact CD1-CD1 3.68Å; L171-M237 HydrophobicContact CB-CE 4.2Å; L171-M237 HydrophobicContact CD1-SD 4.26Å; L171-I240 HydrophobicContact CD1-CD1 4.35Å
172	G	98.7	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.6	-29.3	-179.4	0	0	0	0	0	113.7	L164 N170 L175 A176	L164-G172 VanDerWaalsContact O-CA 3.28Å; L164-G172 WeakPolarHBondContact O-CA 3.43Å; N170-G172 VanDerWaalsContact C-N 3.27Å; N170-G172 PolarHBondContact O-N 2.86Å; G172-L175 PolarHBondContact O-N 3.38Å; G172-A176 WeakPolarHBondContact O-CB 3.39Å; G172-A176 PolarHBondContact O-N 2.75Å
173	I	98.7	Very high	98.4	Very high	7 Å²	7	26.7 Å²	26.7	4%	0.036	14%	0.142	C	C	.	.	H	α-helix	trans	-68	-43.1	173.6	-56.8	-177.9	0	0	0	109.8	N170 L171 A176 L177 F244 L283 M286	N170-I173 HydrophobicContact CB-CD1 4.34Å; N170-I173 WeakPolarHBondContact O-CB 3.21Å; N170-I173 PolarHBondContact O-N 3.4Å; L171-I173 VanDerWaalsContact C-N 3.3Å; L171-I173 PolarHBondContact O-N 2.98Å; I173-A176 PolarHBondContact O-N 2.9Å; I173-L177 HydrophobicContact CG2-CD1 3.73Å; I173-L177 HydrophobicContact CG2-CG 4.41Å; I173-L177 WeakPolarHBondContact O-CB 3.48Å; I173-L177 WeakPolarHBondContact O-CG 3.22Å; I173-L177 PolarHBondContact O-N 2.8Å; I173-F244 HydrophobicContact CB-CB 4.26Å; I173-F244 HydrophobicContact CG2-CB 4.12Å; I173-F244 HydrophobicContact CG2-CD1 4.14Å; I173-L283 HydrophobicContact CG2-CD1 3.88Å; I173-M286 HydrophobicContact CD1-CB 4.4Å; I173-M286 HydrophobicContact CG1-CB 4.04Å; I173-M286 HydrophobicContact CG1-CG 4.3Å
174	F	98.8	Very high	98.2	Very high	5 Å²	5	25.9 Å²	25.9	2%	0.022	14%	0.139	C	C	.	.	H	α-helix	trans	-58.3	-48.3	172.6	160.9	-103.1	0	0	0	112.1	N170 L171 A176 L177 T178 T180 L233 I240 F244 W263	N170-F174 PolarHBondContact O-N 3.29Å; N170-F174 VanDerWaalsContact O-N 3.16Å; L171-F174 HydrophobicContact CD1-CD1 4.07Å; L171-F174 WeakPolarHBondContact O-CB 3.13Å; L171-F174 PolarHBondContact O-N 2.86Å; F174-A176 PolarHBondContact O-N 3.38Å; F174-L177 PolarHBondContact O-N 3.19Å; F174-T178 HydrophobicContact CD2-CG2 3.74Å; F174-T178 HydrophobicContact CE2-CG2 3.73Å; F174-T178 WeakPolarHBondContact O-CB 3.5Å; F174-T178 WeakPolarHBondContact O-CG2 3.31Å; F174-T178 PolarHBondContact O-N 3.27Å; F174-T178 PolarHBondContact O-OG1 3.06Å; F174-T180 HydrophobicContact CE1-CG2 3.84Å; F174-T180 HydrophobicContact CZ-CG2 3.91Å; F174-T180 VanDerWaalsContact CZ-OG1 3.3Å; F174-T180 WeakPolarHBondContact CZ-OG1 3.47Å; F174-L233 HydrophobicContact CD1-CD1 4.45Å; F174-L233 HydrophobicContact CE1-CD1 3.86Å; F174-L233 HydrophobicContact CE1-CD2 4.35Å; F174-I240 HydrophobicContact CB-CG2 3.76Å; F174-I240 HydrophobicContact CD1-CD1 4.07Å; F174-I240 HydrophobicContact CD2-CG1 4.46Å; F174-I240 HydrophobicContact CE1-CD1 4.27Å; F174-I240 HydrophobicContact CG-CD1 4.33Å; F174-I240 HydrophobicContact CG-CG1 4.26Å; F174-I240 HydrophobicContact CG-CG2 4.3Å; F174-F244 HydrophobicContact CB-CD1 4.34Å; F174-F244 HydrophobicContact CB-CD2 3.79Å; F174-F244 HydrophobicContact CB-CE1 4.36Å; F174-F244 HydrophobicContact CB-CE2 3.84Å; F174-F244 HydrophobicContact CB-CG 4.06Å; F174-F244 HydrophobicContact CB-CZ 4.13Å; F174-F244 HydrophobicContact CD2-CD2 4.3Å; F174-F244 HydrophobicContact CD2-CE1 4.46Å; F174-F244 AromaticContact CD2-CE2 3.5Å; F174-F244 HydrophobicContact CD2-CE2 3.5Å; F174-F244 AromaticContact CD2-CZ 3.59Å; F174-F244 HydrophobicContact CD2-CZ 3.59Å; F174-F244 HydrophobicContact CG-CD2 4.5Å; F174-F244 HydrophobicContact CG-CE2 4.11Å; F174-F244 HydrophobicContact CG-CZ 4.36Å; F174-W263 HydrophobicContact CD2-CZ2 4.3Å; F174-W263 AromaticContact CE2-CZ2 3.84Å; F174-W263 HydrophobicContact CE2-CZ2 3.84Å; F174-W263 HydrophobicContact CZ-CZ2 4.28Å
175	L	98.8	Very high	98	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.1	-43.7	178.6	-65.3	173.3	0	0	0	111.5	F145 L164 L167 L171 G172 L177 G179 T180 L182	F145-L175 HydrophobicContact CE1-CD1 4.32Å; L164-L175 HydrophobicContact CD2-CB 4.49Å; L167-L175 HydrophobicContact CD1-CD1 4.15Å; L171-L175 HydrophobicContact CD1-CD1 4.3Å; L171-L175 HydrophobicContact CD1-CG 4.22Å; L171-L175 HydrophobicContact CG-CD1 3.99Å; L171-L175 HydrophobicContact CG-CG 4.33Å; L171-L175 VanDerWaalsContact O-CG 3.29Å; L171-L175 WeakPolarHBondContact O-CG 3.46Å; L171-L175 PolarHBondContact O-N 3.03Å; G172-L175 PolarHBondContact O-N 3.38Å; L175-L177 PolarHBondContact O-N 3.39Å; L175-G179 WeakPolarHBondContact O-CA 3.36Å; L175-G179 PolarHBondContact O-N 2.65Å; L175-T180 HydrophobicContact CD2-CG2 4.34Å; L175-L182 HydrophobicContact CD1-CD1 3.76Å; L175-L182 HydrophobicContact CD1-CG 4.24Å; L175-L182 HydrophobicContact CD2-CD1 4.39Å; L175-L182 HydrophobicContact CD2-CD2 3.96Å; L175-L182 HydrophobicContact CD2-CG 3.95Å
176	A	98.8	Very high	97.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.1	-45	178.5	0	0	0	0	0	112.5	T150 P156 L164 G172 I173 F174 T282 M286	T150-A176 WeakPolarHBondContact CG2-O 3.37Å; P156-A176 HydrophobicContact CB-CB 4.43Å; P156-A176 HydrophobicContact CG-CB 3.9Å; P156-A176 WeakPolarHBondContact CG-O 3.32Å; L164-A176 HydrophobicContact CD1-CB 3.93Å; G172-A176 WeakPolarHBondContact O-CB 3.39Å; G172-A176 PolarHBondContact O-N 2.75Å; I173-A176 PolarHBondContact O-N 2.9Å; F174-A176 PolarHBondContact O-N 3.38Å; A176-T282 HydrophobicContact CB-CG2 3.66Å; A176-M286 HydrophobicContact CB-CE 4.48Å; A176-M286 HydrophobicContact CB-CG 4.25Å; A176-M286 HydrophobicContact CB-SD 4.05Å
177	L	98.8	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-79.4	-40.5	-174.2	-69.3	168.3	0	0	0	112.6	T150 I173 F174 L175 F244 M249 L271 L279 T282 L283	T150-L177 PolarHBondContact OG1-O 2.68Å; I173-L177 HydrophobicContact CG2-CD1 3.73Å; I173-L177 HydrophobicContact CG2-CG 4.41Å; I173-L177 WeakPolarHBondContact O-CB 3.48Å; I173-L177 WeakPolarHBondContact O-CG 3.22Å; I173-L177 PolarHBondContact O-N 2.8Å; F174-L177 PolarHBondContact O-N 3.19Å; L175-L177 PolarHBondContact O-N 3.39Å; L177-F244 HydrophobicContact CB-CE1 4.39Å; L177-F244 HydrophobicContact CD1-CD1 3.63Å; L177-F244 HydrophobicContact CD1-CE1 3.7Å; L177-M249 HydrophobicContact CD1-SD 3.84Å; L177-M249 HydrophobicContact CD2-SD 3.74Å; L177-M249 HydrophobicContact CG-SD 4.44Å; L177-L271 HydrophobicContact CB-CD2 3.84Å; L177-L279 HydrophobicContact CB-CD2 4.16Å; L177-L279 HydrophobicContact CD2-CB 4.44Å; L177-L279 HydrophobicContact CD2-CD2 3.83Å; L177-L279 WeakPolarHBondContact CD2-O 3.3Å; L177-T282 HydrophobicContact CD2-CG2 3.66Å; L177-T282 HydrophobicContact CG-CG2 4.13Å; L177-L283 HydrophobicContact CD1-CD1 4.49Å; L177-L283 HydrophobicContact CD2-CB 4.35Å
178	T	98.5	Very high	97.8	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-90.4	-19.4	-171.6	62.3	0	0	0	0	114	F174 T180 F244 R270 L271	F174-T178 HydrophobicContact CD2-CG2 3.74Å; F174-T178 HydrophobicContact CE2-CG2 3.73Å; F174-T178 WeakPolarHBondContact O-CB 3.5Å; F174-T178 WeakPolarHBondContact O-CG2 3.31Å; F174-T178 PolarHBondContact O-N 3.27Å; F174-T178 PolarHBondContact O-OG1 3.06Å; T178-T180 WeakPolarHBondContact CB-OG1 3.48Å; T178-T180 PolarHBondContact O-N 2.56Å; T178-T180 WeakPolarHBondContact OG1-CB 3.26Å; T178-T180 PolarHBondContact OG1-N 3.23Å; T178-T180 PolarHBondContact OG1-OG1 2.9Å; T178-F244 HydrophobicContact CG2-CZ 4.38Å; T178-R270 PolarHBondContact O-NE 3.11Å; T178-R270 VanDerWaalsContact O-NE 3.07Å; T178-L271 HydrophobicContact CG2-CD2 3.76Å; T178-L271 HydrophobicContact CG2-CG 4.1Å
179	G	98	Very high	97.7	Very high	4 Å²	4	23.4 Å²	23.4	4%	0.041	11%	0.114	C	C	.	.			trans	60.7	26	-167.8	0	0	0	0	0	112.9	M147 L175	M147-G179 VanDerWaalsContact O-CA 3.31Å; M147-G179 WeakPolarHBondContact O-CA 3.33Å; L175-G179 WeakPolarHBondContact O-CA 3.36Å; L175-G179 PolarHBondContact O-N 2.65Å
180	T	98.4	Very high	97.7	Very high	40 Å²	40	22.8 Å²	22.8	25%	0.245	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-59.4	137.9	178.7	-68.4	0	0	0	0	110.3	F174 L175 T178	F174-T180 HydrophobicContact CE1-CG2 3.84Å; F174-T180 HydrophobicContact CZ-CG2 3.91Å; F174-T180 VanDerWaalsContact CZ-OG1 3.3Å; F174-T180 WeakPolarHBondContact CZ-OG1 3.47Å; L175-T180 HydrophobicContact CD2-CG2 4.34Å; T178-T180 WeakPolarHBondContact CB-OG1 3.48Å; T178-T180 PolarHBondContact O-N 2.56Å; T178-T180 WeakPolarHBondContact OG1-CB 3.26Å; T178-T180 PolarHBondContact OG1-N 3.23Å; T178-T180 PolarHBondContact OG1-OG1 2.9Å
181	R	98.4	Very high	97.6	Very high	161 Å²	161	23.1 Å²	23.1	61%	0.608	12%	0.118	S	C	*	.	P	Polyproline II helix	trans	-87.4	128.3	-180	-68.5	166.2	179.8	174.3	2.4	110.4	M124 M144 F145 A146	M124-R181 HydrophobicContact CE-CG 4.28Å; M144-R181 HydrophobicContact CG-CB 4.3Å; M144-R181 HydrophobicContact CG-CG 4.34Å; M144-R181 HydrophobicContact SD-CG 4.4Å; F145-R181 CarbonylContact O-C 3.6Å; F145-R181 VanDerWaalsContact O-CA 3.27Å; F145-R181 WeakPolarHBondContact O-CA 3.48Å; A146-R181 HydrophobicContact CB-CG 3.87Å
182	L	98.5	Very high	97.5	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	139.6	162.3	-60.4	-178.6	0	0	0	108.8	M144 F145 L175 D186 V187 A190 V192 F231 L233	M144-L182 WeakPolarHBondContact CA-O 3.37Å; F145-L182 HydrophobicContact CB-CB 4.31Å; F145-L182 HydrophobicContact CD1-CB 4.23Å; F145-L182 HydrophobicContact CD1-CD1 4.05Å; F145-L182 HydrophobicContact CD1-CG 4.21Å; F145-L182 PolarHBondContact N-O 3.49Å; F145-L182 PolarHBondContact O-N 3.39Å; L175-L182 HydrophobicContact CD1-CD1 3.76Å; L175-L182 HydrophobicContact CD1-CG 4.24Å; L175-L182 HydrophobicContact CD2-CD1 4.39Å; L175-L182 HydrophobicContact CD2-CD2 3.96Å; L175-L182 HydrophobicContact CD2-CG 3.95Å; L182-D186 HydrophobicContact CB-CB 4.25Å; L182-D186 HydrophobicContact CD2-CB 4.29Å; L182-V187 HydrophobicContact CB-CG2 3.88Å; L182-A190 HydrophobicContact CD1-CB 3.41Å; L182-A190 VanDerWaalsContact CD1-CB 3.41Å; L182-V192 HydrophobicContact CD1-CG2 4.29Å; L182-F231 HydrophobicContact CD2-CE2 4.23Å; L182-L233 HydrophobicContact CD2-CD1 3.84Å
183	T	97.7	Very high	97.5	Very high	54 Å²	54	23.3 Å²	23.3	33%	0.331	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.8	-177.9	63.8	0	0	0	0	111.1	T143 M144 R185 D186 R229	T143-T183 CarbonylContact O-C 3.43Å; T143-T183 WeakPolarHBondContact O-CA 3.14Å; M144-T183 HydrophobicContact CE-CG2 4.46Å; M144-T183 HydrophobicContact CG-CG2 4.41Å; T183-R185 PolarHBondContact O-N 3.07Å; T183-D186 VanDerWaalsContact O-CB 3.28Å; T183-D186 WeakPolarHBondContact O-CB 3.5Å; T183-D186 PolarHBondContact O-N 3.37Å; T183-R229 PolarHBondContact O-NH2 3.45Å
184	G	94.9	Very high	97.3	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.021	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	-123.5	173.2	0	0	0	0	0	113.3	T140 T143 D186 V187	T140-G184 WeakPolarHBondContact O-CA 3.25Å; T143-G184 PolarHBondContact O-N 3.24Å; G184-D186 PolarHBondContact O-N 3.14Å; G184-V187 WeakPolarHBondContact O-CB 3.35Å; G184-V187 WeakPolarHBondContact O-CG2 3.45Å; G184-V187 PolarHBondContact O-N 3.03Å; G184-V187 VanDerWaalsContact O-N 3.14Å
185	R	94.3	Very high	97	Very high	29 Å²	29	25.2 Å²	25.2	11%	0.109	13%	0.131	C	C	.	.	H	α-helix	trans	-62.2	-23.3	-178.6	-177.4	165.3	178.8	127.6	12	113.4	T183 V187 Y188 E189 F196 S224 E227 R229	T183-R185 PolarHBondContact O-N 3.07Å; R185-V187 PolarHBondContact O-N 3.02Å; R185-Y188 WeakPolarHBondContact O-CA 3.45Å; R185-Y188 WeakPolarHBondContact O-CB 3.34Å; R185-Y188 PolarHBondContact O-N 3.09Å; R185-E189 HydrophobicContact CG-CG 3.92Å; R185-E189 IonicContact CZ-OE1 3.6Å; R185-E189 VanDerWaalsContact CZ-OE1 3.24Å; R185-E189 IonicContact NE-OE1 3.35Å; R185-E189 PolarHBondContact NE-OE1 3.05Å; R185-E189 IonicContact NH2-OE1 2.61Å; R185-E189 PolarHBondContact NH2-OE1 2.92Å; R185-E189 WeakPolarHBondContact O-CG 3.12Å; R185-E189 PolarHBondContact O-N 3.01Å; R185-F196 HydrophobicContact CB-CD1 4.34Å; R185-F196 HydrophobicContact CB-CD2 4.34Å; R185-F196 HydrophobicContact CB-CE1 4.02Å; R185-F196 HydrophobicContact CB-CE2 4.03Å; R185-F196 HydrophobicContact CB-CG 4.48Å; R185-F196 HydrophobicContact CB-CZ 3.85Å; R185-F196 HydrophobicContact CG-CD1 4.48Å; R185-S224 PolarHBondContact NH1-OG 2.82Å; R185-E227 WeakPolarHBondContact CD-O 3.25Å; R185-E227 PolarHBondContact NE-O 2.95Å; R185-E227 PolarHBondContact NH1-O 3.3Å; R185-R229 HydrophobicContact CB-CG 4.25Å; R185-R229 HydrophobicContact CG-CG 4.48Å
186	D	96.9	Very high	96.8	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-63.3	-28.2	177.7	-62.6	-14.5	0	0	0	112	L182 T183 G184 Y188 A190 R229 F231 S232	L182-D186 HydrophobicContact CB-CB 4.25Å; L182-D186 HydrophobicContact CD2-CB 4.29Å; T183-D186 VanDerWaalsContact O-CB 3.28Å; T183-D186 WeakPolarHBondContact O-CB 3.5Å; T183-D186 PolarHBondContact O-N 3.37Å; G184-D186 PolarHBondContact O-N 3.14Å; D186-Y188 VanDerWaalsContact C-N 3.29Å; D186-Y188 PolarHBondContact O-N 3.22Å; D186-A190 WeakPolarHBondContact O-CB 3.49Å; D186-A190 PolarHBondContact O-N 3.5Å; D186-R229 IonicContact OD1-CZ 3.86Å; D186-R229 IonicContact OD1-NE 2.83Å; D186-R229 IonicContact OD1-NH2 2.73Å; D186-R229 PolarHBondContact OD1-NH2 2.81Å; D186-R229 IonicContact OD2-NH2 2.69Å; D186-R229 PolarHBondContact OD2-NH2 3.5Å; D186-R229 VanDerWaalsContact OD2-NH2 3.16Å; D186-F231 HydrophobicContact CB-CD2 3.91Å; D186-F231 HydrophobicContact CB-CE2 3.87Å; D186-S232 PolarHBondContact OD1-N 2.6Å; D186-S232 VanDerWaalsContact OD2-CB 3.26Å; D186-S232 WeakPolarHBondContact OD2-CB 3.28Å; D186-S232 PolarHBondContact OD2-OG 3.02Å
187	V	97.7	Very high	96.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.5	-36.5	176.1	-169.4	0	0	0	0	110.5	I119 A139 T143 F145 L182 G184 R185 V192 A193	I119-V187 HydrophobicContact CD1-CG1 4.3Å; A139-V187 HydrophobicContact CB-CB 4.42Å; T143-V187 HydrophobicContact CG2-CB 4.45Å; T143-V187 HydrophobicContact CG2-CG1 4.34Å; T143-V187 HydrophobicContact CG2-CG2 3.95Å; F145-V187 HydrophobicContact CB-CG1 4.05Å; F145-V187 HydrophobicContact CB-CG2 3.91Å; L182-V187 HydrophobicContact CB-CG2 3.88Å; G184-V187 WeakPolarHBondContact O-CB 3.35Å; G184-V187 WeakPolarHBondContact O-CG2 3.45Å; G184-V187 PolarHBondContact O-N 3.03Å; G184-V187 VanDerWaalsContact O-N 3.14Å; R185-V187 PolarHBondContact O-N 3.02Å; V187-V192 HydrophobicContact CG1-CB 3.84Å; V187-V192 HydrophobicContact CG1-CG1 3.79Å; V187-V192 WeakPolarHBondContact O-CB 3.41Å; V187-V192 PolarHBondContact O-N 3.5Å; V187-V192 VanDerWaalsContact O-N 3.09Å; V187-A193 HydrophobicContact CB-CB 4.38Å; V187-A193 HydrophobicContact CG1-CB 3.9Å; V187-A193 PolarHBondContact O-N 2.85Å
188	Y	95.4	Very high	96.1	Very high	54 Å²	54	27.5 Å²	27.5	21%	0.212	15%	0.146	C	C	.	.	H	α-helix	trans	-73.5	-48.9	174.2	169	-96.1	0	0	0	111.9	R185 D186 A190 G191 T194 F196 R223	R185-Y188 WeakPolarHBondContact O-CA 3.45Å; R185-Y188 WeakPolarHBondContact O-CB 3.34Å; R185-Y188 PolarHBondContact O-N 3.09Å; D186-Y188 VanDerWaalsContact C-N 3.29Å; D186-Y188 PolarHBondContact O-N 3.22Å; Y188-A190 VanDerWaalsContact C-N 3.25Å; Y188-A190 PolarHBondContact O-N 3.3Å; Y188-G191 PolarHBondContact O-N 3.14Å; Y188-T194 WeakPolarHBondContact CE2-O 3.36Å; Y188-F196 HydrophobicContact CD2-CB 4.32Å; Y188-F196 HydrophobicContact CG-CB 4.03Å; Y188-R223 HydrophobicContact CE2-CB 4.39Å; Y188-R223 WeakPolarHBondContact CE2-O 3.37Å
189	E	95.6	Very high	95.7	Very high	74 Å²	74	29.7 Å²	29.7	35%	0.346	16%	0.156	S	C	.	.	H	α-helix	trans	-63.7	-31.7	-179.1	-61.1	-64.5	166	0	0	112.3	R185 G191 F231	R185-E189 HydrophobicContact CG-CG 3.92Å; R185-E189 IonicContact CZ-OE1 3.6Å; R185-E189 VanDerWaalsContact CZ-OE1 3.24Å; R185-E189 IonicContact NE-OE1 3.35Å; R185-E189 PolarHBondContact NE-OE1 3.05Å; R185-E189 IonicContact NH2-OE1 2.61Å; R185-E189 PolarHBondContact NH2-OE1 2.92Å; R185-E189 WeakPolarHBondContact O-CG 3.12Å; R185-E189 PolarHBondContact O-N 3.01Å; E189-G191 PolarHBondContact O-N 2.92Å; E189-F231 HydrophobicContact CB-CB 3.72Å; E189-F231 HydrophobicContact CB-CD2 3.67Å; E189-F231 HydrophobicContact CB-CE2 4.45Å; E189-F231 HydrophobicContact CB-CG 3.83Å; E189-F231 HydrophobicContact CG-CB 4.07Å
190	A	97.2	Very high	95.3	Very high	8 Å²	8	35.7 Å²	35.7	7%	0.066	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-11	172.9	0	0	0	0	0	114.1	L171 L182 D186 Y188 V192 F231	L171-A190 HydrophobicContact CD2-CB 3.67Å; L182-A190 HydrophobicContact CD1-CB 3.41Å; L182-A190 VanDerWaalsContact CD1-CB 3.41Å; D186-A190 WeakPolarHBondContact O-CB 3.49Å; D186-A190 PolarHBondContact O-N 3.5Å; Y188-A190 VanDerWaalsContact C-N 3.25Å; Y188-A190 PolarHBondContact O-N 3.3Å; A190-V192 VanDerWaalsContact C-N 3.3Å; A190-V192 HydrophobicContact CB-CG2 4.25Å; A190-V192 PolarHBondContact O-N 2.92Å; A190-F231 HydrophobicContact CB-CE2 4.12Å; A190-F231 HydrophobicContact CB-CZ 4.13Å
191	G	95.8	Very high	94.9	Very high	38 Å²	38	37.4 Å²	37.4	39%	0.392	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	3.3	-174.7	0	0	0	0	0	114.9	Y188 E189	Y188-G191 PolarHBondContact O-N 3.14Å; E189-G191 PolarHBondContact O-N 2.92Å
192	V	98.2	Very high	94.6	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.03	17%	0.167	C	C	.	.	S	Bend	trans	-70.5	-44.3	176	175.9	0	0	0	0	110.3	R137 F145 L167 L182 V187 A190	R137-V192 WeakPolarHBondContact CD-O 3.3Å; R137-V192 PolarHBondContact NE-O 3.22Å; F145-V192 HydrophobicContact CD2-CG1 3.6Å; F145-V192 HydrophobicContact CE1-CG2 4.25Å; F145-V192 HydrophobicContact CE2-CG1 3.54Å; F145-V192 HydrophobicContact CG-CG1 4.09Å; F145-V192 HydrophobicContact CZ-CG1 4.04Å; F145-V192 HydrophobicContact CZ-CG2 4.23Å; L167-V192 HydrophobicContact CD1-CG2 3.96Å; L182-V192 HydrophobicContact CD1-CG2 4.29Å; V187-V192 HydrophobicContact CG1-CB 3.84Å; V187-V192 HydrophobicContact CG1-CG1 3.79Å; V187-V192 WeakPolarHBondContact O-CB 3.41Å; V187-V192 PolarHBondContact O-N 3.5Å; V187-V192 VanDerWaalsContact O-N 3.09Å; A190-V192 VanDerWaalsContact C-N 3.3Å; A190-V192 HydrophobicContact CB-CG2 4.25Å; A190-V192 PolarHBondContact O-N 2.92Å
193	A	97.3	Very high	94.3	Very high	3 Å²	3	36.6 Å²	36.6	3%	0.025	20%	0.197	C	C	.	.			trans	-94.2	150.1	168.5	0	0	0	0	0	110.6	I119 A139 V187	I119-A193 HydrophobicContact CD1-CB 4.23Å; A139-A193 HydrophobicContact CB-CB 3.69Å; V187-A193 HydrophobicContact CB-CB 4.38Å; V187-A193 HydrophobicContact CG1-CB 3.9Å; V187-A193 PolarHBondContact O-N 2.85Å
194	T	94.6	Very high	94	Very high	37 Å²	37	38.4 Å²	38.4	23%	0.227	20%	0.204	C	C	.	.	S	Bend	trans	-96.7	-21.3	173.3	48.1	0	0	0	0	113.1	R137 Y188	R137-T194 VanDerWaalsContact CZ-CG2 3.48Å; R137-T194 PolarHBondContact N-OG1 2.62Å; R137-T194 PolarHBondContact O-N 3.12Å; R137-T194 PolarHBondContact O-OG1 3.44Å; Y188-T194 WeakPolarHBondContact CE2-O 3.36Å
195	H	94.2	Very high	93.7	Very high	14 Å²	14	39.2 Å²	39.2	7%	0.065	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.3	-178.3	-60.7	69.8	0	0	0	110.1	F136 R137 V138 A139 I221 R223	F136-H195 AromaticContact CD1-CE1 3.58Å; R137-H195 PolarHBondContact O-N 3.44Å; V138-H195 HydrophobicContact CB-CB 4.4Å; V138-H195 HydrophobicContact CG1-CB 4.26Å; V138-H195 HydrophobicContact CG2-CB 4.08Å; A139-H195 PolarHBondContact N-O 3.04Å; H195-I221 HydrophobicContact CB-CG2 4.29Å; H195-I221 PolarHBondContact CD2-O 3.31Å; H195-R223 CarbonylContact C-O 3.6Å; H195-R223 VanDerWaalsContact CA-O 3.25Å; H195-R223 WeakPolarHBondContact CA-O 3.33Å
196	F	93.4	Very high	93.6	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.4	173.4	-175	-102.2	0	0	0	110.4	A139 T140 R141 R185 Y188 R223 S224 C225	A139-F196 HydrophobicContact CB-CD2 4.13Å; A139-F196 WeakPolarHBondContact O-CA 3.35Å; T140-F196 WeakPolarHBondContact O-CE2 3.21Å; R141-F196 HydrophobicContact CG-CZ 3.92Å; R185-F196 HydrophobicContact CB-CD1 4.34Å; R185-F196 HydrophobicContact CB-CD2 4.34Å; R185-F196 HydrophobicContact CB-CE1 4.02Å; R185-F196 HydrophobicContact CB-CE2 4.03Å; R185-F196 HydrophobicContact CB-CG 4.48Å; R185-F196 HydrophobicContact CB-CZ 3.85Å; R185-F196 HydrophobicContact CG-CD1 4.48Å; Y188-F196 HydrophobicContact CD2-CB 4.32Å; Y188-F196 HydrophobicContact CG-CB 4.03Å; F196-R223 PolarHBondContact N-O 3.13Å; F196-S224 WeakPolarHBondContact O-CA 3.27Å; F196-C225 PolarHBondContact O-N 2.92Å
197	I	92.4	Very high	93.3	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.041	23%	0.23	C	C	.	.			trans	-129	167.7	-179.1	64.7	167.3	0	0	0	111.1	V138 A139 T140 E201 T202 L205 I221	V138-I197 HydrophobicContact CG1-CD1 3.83Å; V138-I197 HydrophobicContact CG1-CG1 3.76Å; V138-I197 HydrophobicContact CG1-CG2 4.11Å; A139-I197 PolarHBondContact O-N 3.18Å; T140-I197 WeakPolarHBondContact CA-O 3.33Å; T140-I197 HydrophobicContact CG2-CG1 4.26Å; I197-E201 HydrophobicContact CD1-CB 4.16Å; I197-T202 HydrophobicContact CD1-CG2 4.21Å; I197-L205 HydrophobicContact CD1-CB 4.38Å; I197-L205 HydrophobicContact CD1-CD2 3.75Å; I197-I221 HydrophobicContact CG2-CG2 4.2Å
198	S	90.8	Very high	92.9	Very high	37 Å²	37	48.5 Å²	48.5	26%	0.259	26%	0.255	S	S	.	.			trans	-69.2	144.5	166.3	178.7	0	0	0	0	110.2	N200 E201	S198-N200 PolarHBondContact O-N 2.83Å; S198-N200 VanDerWaalsContact O-N 3.14Å; S198-N200 PolarHBondContact OG-N 3Å; S198-E201 PolarHBondContact N-OE2 3.06Å; S198-E201 WeakPolarHBondContact O-CB 3.39Å; S198-E201 PolarHBondContact O-N 2.82Å
199	E	89.1	Confident	92.7	Very high	47 Å²	47	46 Å²	46	22%	0.22	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-15.2	175.3	72.3	-92.1	-145.3	0	0	114.4	R142 T202	R142-E199 HydrophobicContact CG-CB 4.46Å; R142-E199 VanDerWaalsContact CZ-CB 3.47Å; R142-E199 VanDerWaalsContact NH1-CB 3.33Å; R142-E199 VanDerWaalsContact NH1-CG 3.3Å; R142-E199 PolarHBondContact NH2-O 2.93Å; E199-T202 PolarHBondContact O-OG1 3.04Å
200	N	90.5	Very high	92.5	Very high	129 Å²	129	43.6 Å²	43.6	69%	0.69	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-11.9	173.2	-62.4	-33	0	0	0	112.5	S198	S198-N200 PolarHBondContact O-N 2.83Å; S198-N200 VanDerWaalsContact O-N 3.14Å; S198-N200 PolarHBondContact OG-N 3Å
201	E	89.8	Confident	92	Very high	77 Å²	77	48.8 Å²	48.8	36%	0.36	26%	0.256	S	S	.	.	S	Bend	trans	-92.8	-3.8	178.7	-63.8	178.8	119.7	0	0	112.1	I197 S198 E203 N204 L205	I197-E201 HydrophobicContact CD1-CB 4.16Å; S198-E201 PolarHBondContact N-OE2 3.06Å; S198-E201 WeakPolarHBondContact O-CB 3.39Å; S198-E201 PolarHBondContact O-N 2.82Å; E201-E203 PolarHBondContact O-N 2.81Å; E201-N204 PolarHBondContact O-N 3.2Å; E201-L205 VanDerWaalsContact O-CB 3.28Å; E201-L205 WeakPolarHBondContact O-CB 3.41Å; E201-L205 PolarHBondContact O-N 3.32Å
202	T	92.4	Very high	91.2	Very high	12 Å²	12	48.3 Å²	48.3	7%	0.074	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-40.3	-174	55	0	0	0	0	113.1	L118 T140 I197 E199 E206	L118-T202 HydrophobicContact CD1-CG2 4.24Å; L118-T202 HydrophobicContact CD2-CG2 4.41Å; T140-T202 HydrophobicContact CG2-CG2 3.65Å; I197-T202 HydrophobicContact CD1-CG2 4.21Å; E199-T202 PolarHBondContact O-OG1 3.04Å; T202-E206 PolarHBondContact O-N 3.22Å
203	E	92.3	Very high	89.8	Confident	133 Å²	133	57.6 Å²	57.6	62%	0.621	29%	0.291	S	S	*	.	H	α-helix	trans	-71.1	-44	179.4	-65.5	-177	175	0	0	111.3	E201 L205 E206 E207	E201-E203 PolarHBondContact O-N 2.81Å; E203-L205 VanDerWaalsContact C-N 3.32Å; E203-L205 PolarHBondContact O-N 3.5Å; E203-E206 PolarHBondContact O-N 3.47Å; E203-E207 WeakPolarHBondContact O-CB 3.32Å; E203-E207 PolarHBondContact O-N 3.14Å
204	N	90.2	Very high	88.1	Confident	92 Å²	92	57.8 Å²	57.8	49%	0.492	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-43.7	175.1	-67.7	-17.1	0	0	0	110.8	E201 E206 E207 D208	E201-N204 PolarHBondContact O-N 3.2Å; N204-E206 PolarHBondContact O-N 3.17Å; N204-E207 PolarHBondContact O-N 3.44Å; N204-D208 WeakPolarHBondContact O-CB 3.31Å; N204-D208 VanDerWaalsContact O-CG 3.28Å; N204-D208 PolarHBondContact O-N 3.44Å
205	L	90.2	Very high	86.3	Confident	18 Å²	18	59.9 Å²	59.9	9%	0.094	30%	0.302	C	S	.	.	H	α-helix	trans	-59.5	-47.1	176.1	173.6	63.4	0	0	0	111.5	L118 V138 I197 E201 E203 E207 D208 L209 I221	L118-L205 HydrophobicContact CD1-CD2 4.29Å; V138-L205 HydrophobicContact CB-CD2 4.35Å; V138-L205 HydrophobicContact CG1-CD2 3.82Å; V138-L205 HydrophobicContact CG2-CD2 4.21Å; I197-L205 HydrophobicContact CD1-CB 4.38Å; I197-L205 HydrophobicContact CD1-CD2 3.75Å; E201-L205 VanDerWaalsContact O-CB 3.28Å; E201-L205 WeakPolarHBondContact O-CB 3.41Å; E201-L205 PolarHBondContact O-N 3.32Å; E203-L205 VanDerWaalsContact C-N 3.32Å; E203-L205 PolarHBondContact O-N 3.5Å; L205-E207 VanDerWaalsContact C-N 3.33Å; L205-E207 PolarHBondContact O-N 3.36Å; L205-D208 PolarHBondContact O-N 2.85Å; L205-L209 HydrophobicContact CD1-CD1 3.8Å; L205-L209 HydrophobicContact CD1-CD2 4.46Å; L205-L209 HydrophobicContact CD1-CG 3.84Å; L205-L209 HydrophobicContact CG-CD1 3.95Å; L205-L209 HydrophobicContact CG-CG 4.35Å; L205-L209 VanDerWaalsContact O-CB 3.29Å; L205-L209 WeakPolarHBondContact O-CB 3.16Å; L205-L209 WeakPolarHBondContact O-CG 3.37Å; L205-L209 PolarHBondContact O-N 2.78Å; L205-I221 HydrophobicContact CD1-CD1 3.41Å; L205-I221 VanDerWaalsContact CD1-CD1 3.41Å; L205-I221 HydrophobicContact CD1-CG1 3.71Å
206	E	92.1	Very high	84.7	Confident	36 Å²	36	65.3 Å²	65.3	17%	0.168	33%	0.332	C	S	.	.	H	α-helix	trans	-60.3	-44.5	176.5	173.4	175.8	-171.9	0	0	111.4	L60 K62 T202 E203 N204 L209 M210	L60-E206 HydrophobicContact CD2-CB 3.97Å; L60-E206 HydrophobicContact CD2-CG 3.73Å; K62-E206 WeakPolarHBondContact CE-OE1 3.32Å; K62-E206 IonicContact NZ-OE1 3.04Å; K62-E206 PolarHBondContact NZ-OE1 3.17Å; K62-E206 IonicContact NZ-OE2 2.77Å; K62-E206 PolarHBondContact NZ-OE2 2.59Å; T202-E206 PolarHBondContact O-N 3.22Å; E203-E206 PolarHBondContact O-N 3.47Å; N204-E206 PolarHBondContact O-N 3.17Å; E206-L209 PolarHBondContact O-N 2.84Å; E206-M210 HydrophobicContact CG-CG 4.41Å; E206-M210 VanDerWaalsContact O-CB 3.29Å; E206-M210 WeakPolarHBondContact O-CB 3.47Å; E206-M210 WeakPolarHBondContact O-CG 3.22Å; E206-M210 PolarHBondContact O-N 3.33Å
207	E	91.1	Very high	83.1	Confident	92 Å²	92	66.9 Å²	66.9	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-47.2	177.9	-176.2	170.1	178.6	0	0	111.9	E203 N204 L205 M210 K211	E203-E207 WeakPolarHBondContact O-CB 3.32Å; E203-E207 PolarHBondContact O-N 3.14Å; N204-E207 PolarHBondContact O-N 3.44Å; L205-E207 VanDerWaalsContact C-N 3.33Å; L205-E207 PolarHBondContact O-N 3.36Å; E207-M210 PolarHBondContact O-N 3.26Å; E207-K211 HydrophobicContact CG-CD 3.72Å; E207-K211 HydrophobicContact CG-CG 4.26Å; E207-K211 VanDerWaalsContact O-CB 3.28Å; E207-K211 WeakPolarHBondContact O-CB 3.44Å; E207-K211 WeakPolarHBondContact O-CG 3.17Å; E207-K211 PolarHBondContact O-N 2.89Å; E207-K211 WeakPolarHBondContact OE1-CE 3.41Å; E207-K211 IonicContact OE1-NZ 3.52Å; E207-K211 PolarHBondContact OE1-NZ 3.25Å
208	D	89.3	Confident	81.5	Confident	100 Å²	100	66.5 Å²	66.5	54%	0.535	34%	0.339	S	S	.	.	H	α-helix	trans	-62.7	-45.3	178.8	-74.8	-18.6	0	0	0	111.1	N204 L205 M210 G212	N204-D208 WeakPolarHBondContact O-CB 3.31Å; N204-D208 VanDerWaalsContact O-CG 3.28Å; N204-D208 PolarHBondContact O-N 3.44Å; L205-D208 PolarHBondContact O-N 2.85Å; D208-M210 VanDerWaalsContact C-N 3.34Å; D208-M210 PolarHBondContact O-N 3.09Å; D208-G212 WeakPolarHBondContact O-CA 3.48Å; D208-G212 PolarHBondContact O-N 2.8Å
209	L	90.4	Very high	80.1	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.01	36%	0.357	C	S	.	.	H	α-helix	trans	-63	-41.1	176.6	-73.8	-179.8	0	0	0	111.8	K21 L58 L60 V116 L205 E206 V218 I221	K21-L209 WeakPolarHBondContact CD-O 3.42Å; K21-L209 WeakPolarHBondContact CE-O 3.4Å; K21-L209 PolarHBondContact NZ-O 3.1Å; L58-L209 HydrophobicContact CD2-CB 3.82Å; L58-L209 HydrophobicContact CD2-CD2 4.06Å; L58-L209 HydrophobicContact CD2-CG 4.41Å; L58-L209 WeakPolarHBondContact CD2-O 3.18Å; L60-L209 HydrophobicContact CD1-CD1 4.1Å; L60-L209 HydrophobicContact CD2-CD1 4.36Å; V116-L209 HydrophobicContact CB-CD1 4.4Å; V116-L209 HydrophobicContact CG1-CD1 4.05Å; V116-L209 HydrophobicContact CG2-CD1 4.33Å; L205-L209 HydrophobicContact CD1-CD1 3.8Å; L205-L209 HydrophobicContact CD1-CD2 4.46Å; L205-L209 HydrophobicContact CD1-CG 3.84Å; L205-L209 HydrophobicContact CG-CD1 3.95Å; L205-L209 HydrophobicContact CG-CG 4.35Å; L205-L209 VanDerWaalsContact O-CB 3.29Å; L205-L209 WeakPolarHBondContact O-CB 3.16Å; L205-L209 WeakPolarHBondContact O-CG 3.37Å; L205-L209 PolarHBondContact O-N 2.78Å; E206-L209 PolarHBondContact O-N 2.84Å; L209-V218 HydrophobicContact CD2-CG2 3.58Å; L209-I221 HydrophobicContact CD2-CD1 4.43Å
210	M	91	Very high	78.6	Confident	23 Å²	23	71 Å²	71	11%	0.113	38%	0.375	C	S	.	.	H	α-helix	trans	-77.8	-34	-178.8	-67.6	-57.6	-64.7	0	0	112.9	K21 E206 E207 D208	K21-M210 HydrophobicContact CB-CE 4.05Å; K21-M210 HydrophobicContact CB-SD 4.14Å; K21-M210 WeakPolarHBondContact CD-O 3.45Å; K21-M210 VanDerWaalsContact NZ-C 3.28Å; K21-M210 PolarHBondContact NZ-O 2.88Å; E206-M210 HydrophobicContact CG-CG 4.41Å; E206-M210 VanDerWaalsContact O-CB 3.29Å; E206-M210 WeakPolarHBondContact O-CB 3.47Å; E206-M210 WeakPolarHBondContact O-CG 3.22Å; E206-M210 PolarHBondContact O-N 3.33Å; E207-M210 PolarHBondContact O-N 3.26Å; D208-M210 VanDerWaalsContact C-N 3.34Å; D208-M210 PolarHBondContact O-N 3.09Å
211	K	87.7	Confident	77.3	Confident	118 Å²	118	65.7 Å²	65.7	51%	0.513	35%	0.347	S	S	.	.	H	α-helix	trans	-99.7	-21	-177.5	-64.9	-174.1	-176.9	176.3	0	115.2	E207	E207-K211 HydrophobicContact CG-CD 3.72Å; E207-K211 HydrophobicContact CG-CG 4.26Å; E207-K211 VanDerWaalsContact O-CB 3.28Å; E207-K211 WeakPolarHBondContact O-CB 3.44Å; E207-K211 WeakPolarHBondContact O-CG 3.17Å; E207-K211 PolarHBondContact O-N 2.89Å; E207-K211 WeakPolarHBondContact OE1-CE 3.41Å; E207-K211 IonicContact OE1-NZ 3.52Å; E207-K211 PolarHBondContact OE1-NZ 3.25Å
212	G	78.2	Confident	76.2	Confident	28 Å²	28	70.9 Å²	70.9	29%	0.289	36%	0.363	S	S	.	.	S	Bend	trans	-67.5	-171.5	-175.8	0	0	0	0	0	115	K21 D208 D217	K21-G212 WeakPolarHBondContact CE-O 3.5Å; K21-G212 VanDerWaalsContact NZ-C 3.33Å; K21-G212 VanDerWaalsContact NZ-N 3.18Å; K21-G212 PolarHBondContact NZ-O 3.48Å; D208-G212 WeakPolarHBondContact O-CA 3.48Å; D208-G212 PolarHBondContact O-N 2.8Å; G212-D217 WeakPolarHBondContact CA-OD2 3.43Å
213	K	68.4	Low	75.2	Confident	200 Å²	200	79.3 Å²	79.3	87%	0.87	39%	0.393	S	S	*	.	S	Bend	trans	-86	-10.4	-175.9	-66.6	-177.2	-178.6	176.6	0	114.3	D217	K213-D217 PolarHBondContact N-OD2 3.05Å
214	G	61.3	Low	74.1	Confident	7 Å²	7	74.6 Å²	74.6	7%	0.072	38%	0.375	C	S	.	.	S	Bend	trans	132.2	-148.4	176.5	0	0	0	0	0	113.7	N216 D217	G214-N216 PolarHBondContact O-N 3.26Å; G214-D217 PolarHBondContact N-OD2 3.38Å; G214-D217 VanDerWaalsContact O-CB 3.25Å; G214-D217 WeakPolarHBondContact O-CB 3.43Å; G214-D217 VanDerWaalsContact O-CG 3.26Å; G214-D217 PolarHBondContact O-N 3.3Å; G214-D217 VanDerWaalsContact O-OD2 3.06Å
215	L	58.3	Low	72.9	Confident	80 Å²	80	71.7 Å²	71.7	42%	0.419	36%	0.362	S	S	.	.	H	α-helix	trans	-48.7	-31.7	-178.6	-90.2	173.1	0	0	0	115.6	P114 F136 D217 V218 S219	P114-L215 HydrophobicContact CB-CD1 4.39Å; P114-L215 HydrophobicContact CB-CD2 3.41Å; P114-L215 VanDerWaalsContact CB-CD2 3.41Å; P114-L215 HydrophobicContact CB-CG 3.96Å; P114-L215 HydrophobicContact CG-CD1 3.46Å; P114-L215 VanDerWaalsContact CG-CD1 3.46Å; P114-L215 HydrophobicContact CG-CD2 3.45Å; P114-L215 VanDerWaalsContact CG-CD2 3.45Å; P114-L215 HydrophobicContact CG-CG 3.47Å; P114-L215 VanDerWaalsContact CG-CG 3.47Å; F136-L215 HydrophobicContact CE2-CD2 3.89Å; F136-L215 HydrophobicContact CZ-CD2 4.3Å; L215-D217 PolarHBondContact O-N 2.61Å; L215-V218 HydrophobicContact CD2-CG2 4.35Å; L215-V218 WeakPolarHBondContact O-CA 3.09Å; L215-V218 WeakPolarHBondContact O-CB 3.49Å; L215-V218 PolarHBondContact O-N 3.46Å; L215-S219 PolarHBondContact O-N 2.82Å
216	N	59.7	Low	71.7	Confident	128 Å²	128	73.8 Å²	73.8	68%	0.684	39%	0.388	S	S	*	.	H	α-helix	trans	-58.9	-27.3	177.1	-68.3	-9.6	0	0	0	111.7	G214 S219 S220	G214-N216 PolarHBondContact O-N 3.26Å; N216-S219 WeakPolarHBondContact CA-OG 3.42Å; N216-S219 PolarHBondContact O-OG 3.08Å; N216-S220 PolarHBondContact O-N 2.87Å
217	D	59.8	Low	70.6	Confident	38 Å²	38	75.5 Å²	75.5	20%	0.203	40%	0.396	C	S	.	.	H	α-helix	trans	-74.4	-30.7	175.3	-48.6	-36.5	0	0	0	111.3	G212 K213 G214 L215 S220 I221	G212-D217 WeakPolarHBondContact CA-OD2 3.43Å; K213-D217 PolarHBondContact N-OD2 3.05Å; G214-D217 PolarHBondContact N-OD2 3.38Å; G214-D217 VanDerWaalsContact O-CB 3.25Å; G214-D217 WeakPolarHBondContact O-CB 3.43Å; G214-D217 VanDerWaalsContact O-CG 3.26Å; G214-D217 PolarHBondContact O-N 3.3Å; G214-D217 VanDerWaalsContact O-OD2 3.06Å; L215-D217 PolarHBondContact O-N 2.61Å; D217-S220 VanDerWaalsContact C-OG 3.3Å; D217-S220 VanDerWaalsContact CA-OG 3.32Å; D217-S220 WeakPolarHBondContact CA-OG 3.21Å; D217-S220 PolarHBondContact O-N 2.75Å; D217-S220 PolarHBondContact O-OG 3.1Å; D217-I221 PolarHBondContact O-N 3.31Å
218	V	58.2	Low	69.8	Low	0 Å²	0	77.1 Å²	77.1	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-70.2	-42.1	173.7	-170.7	0	0	0	0	110.1	L58 V116 F136 L209 L215 S220 I221	L58-V218 HydrophobicContact CD1-CG2 4.19Å; V116-V218 HydrophobicContact CG2-CG1 4.46Å; V116-V218 HydrophobicContact CG2-CG2 4.15Å; F136-V218 HydrophobicContact CB-CG1 4.27Å; F136-V218 HydrophobicContact CD1-CG1 3.31Å; F136-V218 HydrophobicContact CD2-CG1 3.69Å; F136-V218 HydrophobicContact CE1-CB 4.39Å; F136-V218 HydrophobicContact CE1-CG1 3.36Å; F136-V218 HydrophobicContact CE2-CB 4.39Å; F136-V218 HydrophobicContact CE2-CG1 3.73Å; F136-V218 HydrophobicContact CG-CG1 3.48Å; F136-V218 VanDerWaalsContact CG-CG1 3.48Å; F136-V218 HydrophobicContact CZ-CB 4.24Å; F136-V218 HydrophobicContact CZ-CG1 3.56Å; L209-V218 HydrophobicContact CD2-CG2 3.58Å; L215-V218 HydrophobicContact CD2-CG2 4.35Å; L215-V218 WeakPolarHBondContact O-CA 3.09Å; L215-V218 WeakPolarHBondContact O-CB 3.49Å; L215-V218 PolarHBondContact O-N 3.46Å; V218-S220 PolarHBondContact O-N 2.76Å; V218-I221 HydrophobicContact CB-CD1 4.4Å; V218-I221 HydrophobicContact CG1-CD1 3.91Å; V218-I221 VanDerWaalsContact O-CB 3.26Å; V218-I221 WeakPolarHBondContact O-CB 3.26Å; V218-I221 WeakPolarHBondContact O-CG1 3.22Å; V218-I221 PolarHBondContact O-N 2.98Å
219	S	61.8	Low	69.3	Low	92 Å²	92	75.6 Å²	75.6	64%	0.643	40%	0.399	S	S	*	.	H	α-helix	trans	-64.5	-20.7	174.1	56.7	0	0	0	0	113.7	L215 N216	L215-S219 PolarHBondContact O-N 2.82Å; N216-S219 WeakPolarHBondContact CA-OG 3.42Å; N216-S219 PolarHBondContact O-OG 3.08Å
220	S	58.8	Low	69.1	Low	85 Å²	85	82.5 Å²	82.5	59%	0.594	44%	0.436	S	S	*	.	H	α-helix	trans	-83.3	-13.3	171.5	60.6	0	0	0	0	113.9	N216 D217 V218 R222	N216-S220 PolarHBondContact O-N 2.87Å; D217-S220 VanDerWaalsContact C-OG 3.3Å; D217-S220 VanDerWaalsContact CA-OG 3.32Å; D217-S220 WeakPolarHBondContact CA-OG 3.21Å; D217-S220 PolarHBondContact O-N 2.75Å; D217-S220 PolarHBondContact O-OG 3.1Å; V218-S220 PolarHBondContact O-N 2.76Å; S220-R222 PolarHBondContact O-N 3.35Å
221	I	63	Low	69.3	Low	19 Å²	19	82.5 Å²	82.5	10%	0.097	44%	0.436	C	S	.	.	S	Bend	trans	-63.2	108	165.1	-51.8	170.1	0	0	0	105.8	H195 I197 L205 L209 D217 V218 R223	H195-I221 HydrophobicContact CB-CG2 4.29Å; H195-I221 PolarHBondContact CD2-O 3.31Å; I197-I221 HydrophobicContact CG2-CG2 4.2Å; L205-I221 HydrophobicContact CD1-CD1 3.41Å; L205-I221 VanDerWaalsContact CD1-CD1 3.41Å; L205-I221 HydrophobicContact CD1-CG1 3.71Å; L209-I221 HydrophobicContact CD2-CD1 4.43Å; D217-I221 PolarHBondContact O-N 3.31Å; V218-I221 HydrophobicContact CB-CD1 4.4Å; V218-I221 HydrophobicContact CG1-CD1 3.91Å; V218-I221 VanDerWaalsContact O-CB 3.26Å; V218-I221 WeakPolarHBondContact O-CB 3.26Å; V218-I221 WeakPolarHBondContact O-CG1 3.22Å; V218-I221 PolarHBondContact O-N 2.98Å; I221-R223 PolarHBondContact O-N 3.01Å
222	R	66.4	Low	69.7	Low	186 Å²	186	80 Å²	80	70%	0.702	43%	0.433	S	S	*	.			trans	-55.7	132	173.5	-68	178.8	174.4	171.1	-0.1	107.4	S220 S224 C225	S220-R222 PolarHBondContact O-N 3.35Å; R222-S224 PolarHBondContact O-N 2.83Å; R222-C225 VanDerWaalsContact CD-SG 3.56Å
223	R	70.2	Confident	70.5	Confident	188 Å²	188	79.4 Å²	79.4	71%	0.709	42%	0.423	S	S	*	.	S	Bend	trans	-48.2	-33.2	177.4	-71	-176.4	-178.9	172.6	-0.2	112	Y188 H195 F196 I221	Y188-R223 HydrophobicContact CE2-CB 4.39Å; Y188-R223 WeakPolarHBondContact CE2-O 3.37Å; H195-R223 CarbonylContact C-O 3.6Å; H195-R223 VanDerWaalsContact CA-O 3.25Å; H195-R223 WeakPolarHBondContact CA-O 3.33Å; F196-R223 PolarHBondContact N-O 3.13Å; I221-R223 PolarHBondContact O-N 3.01Å
224	S	70.4	Confident	71.9	Confident	35 Å²	35	73 Å²	73	25%	0.245	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-142.7	132.4	167.2	175.9	0	0	0	0	110.3	R185 F196 R222	R185-S224 PolarHBondContact NH1-OG 2.82Å; F196-S224 WeakPolarHBondContact O-CA 3.27Å; R222-S224 PolarHBondContact O-N 2.83Å
225	C	64.1	Low	73.6	Confident	30 Å²	30	77.3 Å²	77.3	20%	0.203	43%	0.43	C	S	.	.			trans	-117.4	143.4	161.2	-81	0	0	0	0	108.5	F196 R222	F196-C225 PolarHBondContact O-N 2.92Å; R222-C225 VanDerWaalsContact CD-SG 3.56Å
226	G	65.2	Low	75.4	Confident	63 Å²	63	75.9 Å²	75.9	65%	0.649	42%	0.421	S	S	*	.	S	Bend	trans	97	-141.6	172.5	0	0	0	0	0	115.6	T228	G226-T228 PolarHBondContact O-N 2.95Å
227	E	68.9	Low	77.2	Confident	71 Å²	71	71.7 Å²	71.7	33%	0.332	40%	0.398	S	S	.	.			trans	-55.2	119.1	-164.8	-177.7	179.1	-179.8	0	0	114.2	R141 R185 R229	R141-E227 IonicContact CZ-OE2 3.77Å; R141-E227 IonicContact NH1-OE1 2.72Å; R141-E227 IonicContact NH1-OE2 3.79Å; R141-E227 PolarHBondContact NH1-OE2 3.05Å; R185-E227 WeakPolarHBondContact CD-O 3.25Å; R185-E227 PolarHBondContact NE-O 2.95Å; R185-E227 PolarHBondContact NH1-O 3.3Å; E227-R229 HydrophobicContact CG-CB 4.1Å; E227-R229 HydrophobicContact CG-CG 4.14Å; E227-R229 PolarHBondContact O-N 3.19Å; E227-R229 VanDerWaalsContact OE1-CD 3.31Å; E227-R229 WeakPolarHBondContact OE1-CD 3.45Å
228	T	74.1	Confident	79.1	Confident	127 Å²	127	78 Å²	78	78%	0.779	43%	0.426	S	S	*	.			trans	-90.5	67.6	173.6	56.1	0	0	0	0	110.8	G226	G226-T228 PolarHBondContact O-N 2.95Å
229	R	80.3	Confident	81	Confident	67 Å²	67	80 Å²	80	25%	0.253	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-94.4	145.9	170.5	69.7	173.8	-155.8	-172.6	5	110.2	T183 R185 D186 E227	T183-R229 PolarHBondContact O-NH2 3.45Å; R185-R229 HydrophobicContact CB-CG 4.25Å; R185-R229 HydrophobicContact CG-CG 4.48Å; D186-R229 IonicContact OD1-CZ 3.86Å; D186-R229 IonicContact OD1-NE 2.83Å; D186-R229 IonicContact OD1-NH2 2.73Å; D186-R229 PolarHBondContact OD1-NH2 2.81Å; D186-R229 IonicContact OD2-NH2 2.69Å; D186-R229 PolarHBondContact OD2-NH2 3.5Å; D186-R229 VanDerWaalsContact OD2-NH2 3.16Å; E227-R229 HydrophobicContact CG-CB 4.1Å; E227-R229 HydrophobicContact CG-CG 4.14Å; E227-R229 PolarHBondContact O-N 3.19Å; E227-R229 VanDerWaalsContact OE1-CD 3.31Å; E227-R229 WeakPolarHBondContact OE1-CD 3.45Å
230	N	86.1	Confident	82.7	Confident	148 Å²	148	75.6 Å²	75.6	79%	0.791	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-66.1	151.8	171.8	-67.7	-20	0	0	0	110.3	S232	N230-S232 PolarHBondContact O-N 2.93Å
231	F	94	Very high	84.6	Confident	23 Å²	23	76.6 Å²	76.6	10%	0.101	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-59.6	125.9	174	177.9	-135	0	0	0	110.5	L171 L182 D186 E189 A190 L233 S234 M237	L171-F231 HydrophobicContact CD1-CZ 4.29Å; L171-F231 HydrophobicContact CD2-CE1 4.12Å; L171-F231 HydrophobicContact CD2-CZ 3.73Å; L182-F231 HydrophobicContact CD2-CE2 4.23Å; D186-F231 HydrophobicContact CB-CD2 3.91Å; D186-F231 HydrophobicContact CB-CE2 3.87Å; E189-F231 HydrophobicContact CB-CB 3.72Å; E189-F231 HydrophobicContact CB-CD2 3.67Å; E189-F231 HydrophobicContact CB-CE2 4.45Å; E189-F231 HydrophobicContact CB-CG 3.83Å; E189-F231 HydrophobicContact CG-CB 4.07Å; A190-F231 HydrophobicContact CB-CE2 4.12Å; A190-F231 HydrophobicContact CB-CZ 4.13Å; F231-L233 HydrophobicContact CD1-CB 4.24Å; F231-L233 HydrophobicContact CE1-CB 3.67Å; F231-L233 HydrophobicContact CE2-CB 4.35Å; F231-L233 HydrophobicContact CE2-CD1 4.49Å; F231-L233 HydrophobicContact CZ-CB 3.73Å; F231-L233 HydrophobicContact CZ-CD1 3.93Å; F231-L233 HydrophobicContact CZ-CG 4.21Å; F231-L233 PolarHBondContact O-N 2.81Å; F231-S234 WeakPolarHBondContact CB-OG 3.49Å; F231-S234 VanDerWaalsContact O-CB 3.26Å; F231-S234 WeakPolarHBondContact O-CB 3.48Å; F231-S234 PolarHBondContact O-N 3.05Å; F231-S234 PolarHBondContact O-OG 3.31Å; F231-M237 HydrophobicContact CE1-CG 4.42Å; F231-M237 HydrophobicContact CE1-SD 3.82Å
232	S	95.5	Very high	86.3	Confident	65 Å²	65	82.6 Å²	82.6	46%	0.455	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.6	-171.3	64.3	0	0	0	0	114.2	D186 N230 P235	D186-S232 PolarHBondContact OD1-N 2.6Å; D186-S232 VanDerWaalsContact OD2-CB 3.26Å; D186-S232 WeakPolarHBondContact OD2-CB 3.28Å; D186-S232 PolarHBondContact OD2-OG 3.02Å; N230-S232 PolarHBondContact O-N 2.93Å; S232-P235 WeakPolarHBondContact O-CD 3.25Å
233	L	96.6	Very high	87.8	Confident	16 Å²	16	73.9 Å²	73.9	8%	0.084	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-1.7	178.2	-64.8	172.6	0	0	0	113.5	L171 F174 L182 F231 P235 H236 M237 I240	L171-L233 HydrophobicContact CD1-CD1 3.68Å; F174-L233 HydrophobicContact CD1-CD1 4.45Å; F174-L233 HydrophobicContact CE1-CD1 3.86Å; F174-L233 HydrophobicContact CE1-CD2 4.35Å; L182-L233 HydrophobicContact CD2-CD1 3.84Å; F231-L233 HydrophobicContact CD1-CB 4.24Å; F231-L233 HydrophobicContact CE1-CB 3.67Å; F231-L233 HydrophobicContact CE2-CB 4.35Å; F231-L233 HydrophobicContact CE2-CD1 4.49Å; F231-L233 HydrophobicContact CZ-CB 3.73Å; F231-L233 HydrophobicContact CZ-CD1 3.93Å; F231-L233 HydrophobicContact CZ-CG 4.21Å; F231-L233 PolarHBondContact O-N 2.81Å; L233-P235 VanDerWaalsContact C-CD 3.4Å; L233-P235 VanDerWaalsContact C-N 3.32Å; L233-H236 CarbonylContact O-C 3.38Å; L233-H236 PolarHBondContact O-N 2.95Å; L233-M237 WeakPolarHBondContact O-CG 3.22Å; L233-M237 PolarHBondContact O-N 3.12Å; L233-I240 HydrophobicContact CB-CD1 4.38Å; L233-I240 HydrophobicContact CD1-CD1 4.5Å
234	S	96.7	Very high	89.2	Confident	65 Å²	65	64.9 Å²	64.9	46%	0.455	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-48.4	-44.3	177.7	-75.3	0	0	0	0	114	F231 H236 M237	F231-S234 WeakPolarHBondContact CB-OG 3.49Å; F231-S234 VanDerWaalsContact O-CB 3.26Å; F231-S234 WeakPolarHBondContact O-CB 3.48Å; F231-S234 PolarHBondContact O-N 3.05Å; F231-S234 PolarHBondContact O-OG 3.31Å; S234-H236 PolarHBondContact O-N 3.16Å; S234-H236 VanDerWaalsContact O-N 3.1Å; S234-M237 PolarHBondContact O-N 3.35Å
235	P	96.7	Very high	90.5	Very high	97 Å²	97	65.4 Å²	65.4	63%	0.63	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-64	-14.7	178.7	-22.5	35.3	0	0	0	114.8	S232 L233	S232-P235 WeakPolarHBondContact O-CD 3.25Å; L233-P235 VanDerWaalsContact C-CD 3.4Å; L233-P235 VanDerWaalsContact C-N 3.32Å
236	H	97.5	Very high	92.1	Very high	50 Å²	50	64 Å²	64	23%	0.231	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-115.5	-0.1	-173.6	-55.2	-55	0	0	0	112.9	L233 S234 E238 Q239 I240 W263	L233-H236 CarbonylContact O-C 3.38Å; L233-H236 PolarHBondContact O-N 2.95Å; S234-H236 PolarHBondContact O-N 3.16Å; S234-H236 VanDerWaalsContact O-N 3.1Å; H236-E238 VanDerWaalsContact C-N 3.32Å; H236-E238 PolarHBondContact O-N 3.25Å; H236-Q239 PolarHBondContact ND1-OE1 3.22Å; H236-Q239 WeakPolarHBondContact O-CB 3.46Å; H236-Q239 PolarHBondContact O-N 2.92Å; H236-Q239 VanDerWaalsContact O-N 3.11Å; H236-I240 HydrophobicContact CB-CD1 4.25Å; H236-I240 VanDerWaalsContact O-CG1 3.3Å; H236-I240 WeakPolarHBondContact O-CG1 3.39Å; H236-I240 PolarHBondContact O-N 2.83Å; H236-W263 HydrophobicContact CB-CD2 3.99Å; H236-W263 HydrophobicContact CB-CG 4.23Å; H236-W263 HydrophobicContact CB-CZ2 4.15Å; H236-W263 AromaticContact CD2-CD1 3.26Å; H236-W263 AromaticContact CD2-CG 3.91Å; H236-W263 AromaticContact CD2-NE1 3.57Å; H236-W263 VanDerWaalsContact CE1-CB 3.49Å; H236-W263 WeakPolarHBondContact CE1-CB 3.38Å; H236-W263 AromaticContact CE1-CD1 3.59Å; H236-W263 AromaticContact CE1-CG 3.58Å; H236-W263 AromaticContact CG-CD1 3.32Å; H236-W263 AromaticContact CG-CD2 3.86Å; H236-W263 AromaticContact CG-CE2 3.86Å; H236-W263 AromaticContact CG-CG 3.56Å; H236-W263 AromaticContact CG-NE1 3.49Å; H236-W263 AromaticContact ND1-CD1 3.52Å; H236-W263 AromaticContact ND1-CD2 3.86Å; H236-W263 AromaticContact ND1-CG 3.34Å; H236-W263 VanDerWaalsContact ND1-CG 3.34Å; H236-W263 AromaticContact NE2-CD1 3.43Å; H236-W263 AromaticContact NE2-CG 3.92Å
237	M	97.8	Very high	93.6	Very high	40 Å²	40	66.7 Å²	66.7	20%	0.197	35%	0.35	C	S	.	.	H	α-helix	trans	-61.5	-37.2	-174.4	-76.3	-58.5	-56.3	0	0	113.2	L171 F231 L233 S234 I240 E241	L171-M237 HydrophobicContact CB-CE 4.2Å; L171-M237 HydrophobicContact CD1-SD 4.26Å; F231-M237 HydrophobicContact CE1-CG 4.42Å; F231-M237 HydrophobicContact CE1-SD 3.82Å; L233-M237 WeakPolarHBondContact O-CG 3.22Å; L233-M237 PolarHBondContact O-N 3.12Å; S234-M237 PolarHBondContact O-N 3.35Å; M237-I240 PolarHBondContact O-N 3.38Å; M237-I240 HydrophobicContact SD-CD1 4.18Å; M237-E241 WeakPolarHBondContact O-CB 3.34Å; M237-E241 PolarHBondContact O-N 2.72Å
238	E	97.9	Very high	95	Very high	171 Å²	171	68.6 Å²	68.6	80%	0.799	35%	0.354	S	S	*	.	H	α-helix	trans	-65.5	-41	175	-66.7	-177.9	177.8	0	0	111.7	H236 E241 Y242	H236-E238 VanDerWaalsContact C-N 3.32Å; H236-E238 PolarHBondContact O-N 3.25Å; E238-E241 PolarHBondContact O-N 3.46Å; E238-Y242 WeakPolarHBondContact O-CB 3.34Å; E238-Y242 PolarHBondContact O-N 2.84Å
239	Q	98.1	Very high	96.1	Very high	41 Å²	41	62.7 Å²	62.7	19%	0.192	32%	0.317	C	S	.	.	H	α-helix	trans	-66	-42.5	176.8	-56.6	175.9	-81.9	0	0	110.8	H236 A243 D259 S261 W263	H236-Q239 PolarHBondContact ND1-OE1 3.22Å; H236-Q239 WeakPolarHBondContact O-CB 3.46Å; H236-Q239 PolarHBondContact O-N 2.92Å; H236-Q239 VanDerWaalsContact O-N 3.11Å; Q239-A243 VanDerWaalsContact O-CB 3.24Å; Q239-A243 WeakPolarHBondContact O-CB 3.22Å; Q239-A243 PolarHBondContact O-N 3.06Å; Q239-D259 PolarHBondContact NE2-OD1 3.48Å; Q239-D259 PolarHBondContact NE2-OD2 3.01Å; Q239-S261 PolarHBondContact NE2-OG 3.34Å; Q239-W263 HydrophobicContact CB-CE3 3.91Å; Q239-W263 HydrophobicContact CB-CH2 4.21Å; Q239-W263 HydrophobicContact CB-CZ3 3.54Å; Q239-W263 HydrophobicContact CG-CE3 4.49Å
240	I	98.6	Very high	97	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.1	-50.8	175.5	-70.4	167.3	0	0	0	110.1	L171 F174 L233 H236 M237 Y242 F244 W263	L171-I240 HydrophobicContact CD1-CD1 4.35Å; F174-I240 HydrophobicContact CB-CG2 3.76Å; F174-I240 HydrophobicContact CD1-CD1 4.07Å; F174-I240 HydrophobicContact CD2-CG1 4.46Å; F174-I240 HydrophobicContact CE1-CD1 4.27Å; F174-I240 HydrophobicContact CG-CD1 4.33Å; F174-I240 HydrophobicContact CG-CG1 4.26Å; F174-I240 HydrophobicContact CG-CG2 4.3Å; L233-I240 HydrophobicContact CB-CD1 4.38Å; L233-I240 HydrophobicContact CD1-CD1 4.5Å; H236-I240 HydrophobicContact CB-CD1 4.25Å; H236-I240 VanDerWaalsContact O-CG1 3.3Å; H236-I240 WeakPolarHBondContact O-CG1 3.39Å; H236-I240 PolarHBondContact O-N 2.83Å; M237-I240 PolarHBondContact O-N 3.38Å; M237-I240 HydrophobicContact SD-CD1 4.18Å; I240-Y242 VanDerWaalsContact C-N 3.33Å; I240-Y242 PolarHBondContact O-N 2.9Å; I240-F244 HydrophobicContact CG2-CD2 4.16Å; I240-F244 WeakPolarHBondContact O-CB 3.25Å; I240-F244 WeakPolarHBondContact O-CD2 3.35Å; I240-F244 PolarHBondContact O-N 3.39Å; I240-W263 HydrophobicContact CB-CH2 4.49Å; I240-W263 HydrophobicContact CD1-CZ2 3.97Å; I240-W263 HydrophobicContact CG1-CH2 3.5Å; I240-W263 VanDerWaalsContact CG1-CH2 3.5Å; I240-W263 HydrophobicContact CG1-CZ2 3.4Å; I240-W263 VanDerWaalsContact CG1-CZ2 3.4Å
241	E	98.5	Very high	97.6	Very high	107 Å²	107	58.1 Å²	58.1	50%	0.5	29%	0.294	S	S	.	.	H	α-helix	trans	-59.3	-46.6	-178.8	-179	165.7	-172.6	0	0	111.2	G169 N170 M237 E238 S245	G169-E241 VanDerWaalsContact O-CA 3.26Å; G169-E241 WeakPolarHBondContact O-CA 3.43Å; G169-E241 PolarHBondContact O-N 3.26Å; N170-E241 PolarHBondContact ND2-O 3.31Å; M237-E241 WeakPolarHBondContact O-CB 3.34Å; M237-E241 PolarHBondContact O-N 2.72Å; E238-E241 PolarHBondContact O-N 3.46Å; E241-S245 WeakPolarHBondContact O-CB 3.2Å; E241-S245 PolarHBondContact O-N 2.89Å; E241-S245 PolarHBondContact O-OG 3.01Å
242	Y	98.5	Very high	97.8	Very high	145 Å²	145	57 Å²	57	57%	0.569	29%	0.29	S	S	*	.	H	α-helix	trans	-65.6	-55	179	178.4	-107.3	0	0	0	112.5	E238 I240 F244 S245 R255	E238-Y242 WeakPolarHBondContact O-CB 3.34Å; E238-Y242 PolarHBondContact O-N 2.84Å; I240-Y242 VanDerWaalsContact C-N 3.33Å; I240-Y242 PolarHBondContact O-N 2.9Å; Y242-F244 PolarHBondContact O-N 3.04Å; Y242-S245 PolarHBondContact O-OG 2.9Å; Y242-R255 HydrophobicContact CD1-CB 4.42Å; Y242-R255 HydrophobicContact CE1-CB 3.98Å; Y242-R255 HydrophobicContact CE1-CG 3.82Å; Y242-R255 PolarHBondContact O-NH1 2.94Å
243	A	98.6	Very high	97.9	Very high	2 Å²	2	54.4 Å²	54.4	2%	0.017	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-45.1	-174.6	0	0	0	0	0	112	Q239 S245 R255 L256	Q239-A243 VanDerWaalsContact O-CB 3.24Å; Q239-A243 WeakPolarHBondContact O-CB 3.22Å; Q239-A243 PolarHBondContact O-N 3.06Å; A243-S245 PolarHBondContact O-N 3.43Å; A243-R255 HydrophobicContact CB-CB 4.36Å; A243-L256 HydrophobicContact CB-CD2 3.85Å; A243-L256 HydrophobicContact CB-CG 4.08Å
244	F	98.5	Very high	98	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-89.7	2.5	-173.6	-64.4	-83.6	0	0	0	114.2	N170 I173 F174 L177 T178 I240 Y242 A246 V252 L256 W263 L271	N170-F244 HydrophobicContact CB-CB 3.99Å; I173-F244 HydrophobicContact CB-CB 4.26Å; I173-F244 HydrophobicContact CG2-CB 4.12Å; I173-F244 HydrophobicContact CG2-CD1 4.14Å; F174-F244 HydrophobicContact CB-CD1 4.34Å; F174-F244 HydrophobicContact CB-CD2 3.79Å; F174-F244 HydrophobicContact CB-CE1 4.36Å; F174-F244 HydrophobicContact CB-CE2 3.84Å; F174-F244 HydrophobicContact CB-CG 4.06Å; F174-F244 HydrophobicContact CB-CZ 4.13Å; F174-F244 HydrophobicContact CD2-CD2 4.3Å; F174-F244 HydrophobicContact CD2-CE1 4.46Å; F174-F244 AromaticContact CD2-CE2 3.5Å; F174-F244 HydrophobicContact CD2-CE2 3.5Å; F174-F244 AromaticContact CD2-CZ 3.59Å; F174-F244 HydrophobicContact CD2-CZ 3.59Å; F174-F244 HydrophobicContact CG-CD2 4.5Å; F174-F244 HydrophobicContact CG-CE2 4.11Å; F174-F244 HydrophobicContact CG-CZ 4.36Å; L177-F244 HydrophobicContact CB-CE1 4.39Å; L177-F244 HydrophobicContact CD1-CD1 3.63Å; L177-F244 HydrophobicContact CD1-CE1 3.7Å; T178-F244 HydrophobicContact CG2-CZ 4.38Å; I240-F244 HydrophobicContact CG2-CD2 4.16Å; I240-F244 WeakPolarHBondContact O-CB 3.25Å; I240-F244 WeakPolarHBondContact O-CD2 3.35Å; I240-F244 PolarHBondContact O-N 3.39Å; Y242-F244 PolarHBondContact O-N 3.04Å; F244-A246 VanDerWaalsContact C-N 3.26Å; F244-V252 HydrophobicContact CD1-CG1 3.92Å; F244-V252 HydrophobicContact CE1-CG1 3.73Å; F244-V252 HydrophobicContact CZ-CG1 4.29Å; F244-L256 HydrophobicContact CZ-CD1 4.37Å; F244-W263 HydrophobicContact CE2-CH2 4.29Å; F244-L271 HydrophobicContact CE1-CD1 4.45Å; F244-L271 HydrophobicContact CZ-CD1 4.37Å
245	S	98.1	Very high	98.1	Very high	46 Å²	46	57.5 Å²	57.5	32%	0.322	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-15.6	167.1	64.5	0	0	0	0	113.3	N170 E241 Y242 A243 R255 K287	N170-S245 WeakPolarHBondContact ND2-CB 3.45Å; E241-S245 WeakPolarHBondContact O-CB 3.2Å; E241-S245 PolarHBondContact O-N 2.89Å; E241-S245 PolarHBondContact O-OG 3.01Å; Y242-S245 PolarHBondContact O-OG 2.9Å; A243-S245 PolarHBondContact O-N 3.43Å; S245-R255 PolarHBondContact OG-NH1 3.47Å; S245-K287 PolarHBondContact O-NZ 3.42Å
246	A	98.1	Very high	98.2	Very high	1 Å²	1	53 Å²	53	1%	0.008	25%	0.245	C	C	.	.			trans	-59.2	155.8	-177.9	0	0	0	0	0	113	F244 E251 V252 K287	F244-A246 VanDerWaalsContact C-N 3.26Å; A246-E251 HydrophobicContact CB-CB 3.67Å; A246-V252 HydrophobicContact CB-CG2 3.81Å; A246-K287 WeakPolarHBondContact O-CE 3.21Å; A246-K287 PolarHBondContact O-NZ 3.39Å
247	D	96.7	Very high	98.2	Very high	118 Å²	118	55.9 Å²	55.9	63%	0.631	25%	0.254	S	S	*	.	S	Bend	trans	-94.5	-18.8	-177	-70.2	-36	0	0	0	112.8	E251 K287	D247-E251 PolarHBondContact N-OE2 3.11Å; D247-K287 IonicContact OD1-NZ 3.22Å; D247-K287 PolarHBondContact OD1-NZ 3.22Å
248	R	97.6	Very high	98.2	Very high	112 Å²	112	59.6 Å²	59.6	42%	0.423	27%	0.274	S	S	.	.	S	Bend	trans	-124.1	146.9	179.5	-57.6	-179.3	70.4	113.6	2.1	110.8	E250 E251 V252 L283 E341	R248-E250 VanDerWaalsContact C-N 3.26Å; R248-E250 PolarHBondContact O-N 2.92Å; R248-E251 HydrophobicContact CB-CG 4.2Å; R248-E251 WeakPolarHBondContact O-CB 3.4Å; R248-E251 PolarHBondContact O-N 3.2Å; R248-E251 VanDerWaalsContact O-N 3.14Å; R248-V252 PolarHBondContact O-N 3.31Å; R248-V252 VanDerWaalsContact O-N 3.14Å; R248-L283 VanDerWaalsContact C-CD2 3.43Å; R248-E341 IonicContact CZ-OE1 2.93Å; R248-E341 VanDerWaalsContact CZ-OE1 3.27Å; R248-E341 IonicContact NH1-OE1 3.1Å; R248-E341 PolarHBondContact NH1-OE1 2.94Å; R248-E341 IonicContact NH2-OE1 3.36Å; R248-E341 PolarHBondContact NH2-OE1 2.96Å
249	M	98.3	Very high	98.2	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-63.6	-35.1	178.5	-84.9	-57.8	-50.9	0	0	111.8	L177 E251 V252 M253 L279 K280 L283 L336	L177-M249 HydrophobicContact CD1-SD 3.84Å; L177-M249 HydrophobicContact CD2-SD 3.74Å; L177-M249 HydrophobicContact CG-SD 4.44Å; M249-E251 PolarHBondContact O-N 3.46Å; M249-V252 HydrophobicContact CE-CB 4.38Å; M249-V252 HydrophobicContact CE-CG1 4.48Å; M249-V252 WeakPolarHBondContact O-CB 3.45Å; M249-V252 PolarHBondContact O-N 3.06Å; M249-V252 VanDerWaalsContact O-N 3.17Å; M249-V252 HydrophobicContact SD-CG2 4.36Å; M249-M253 HydrophobicContact CE-CG 4.39Å; M249-M253 HydrophobicContact CE-SD 4.38Å; M249-M253 VanDerWaalsContact O-CG 3.23Å; M249-M253 WeakPolarHBondContact O-CG 3.43Å; M249-M253 PolarHBondContact O-N 2.83Å; M249-L279 HydrophobicContact CE-CB 4Å; M249-L279 HydrophobicContact CE-CD1 4.06Å; M249-L279 HydrophobicContact CE-CD2 4.19Å; M249-L279 HydrophobicContact CE-CG 4.33Å; M249-L279 HydrophobicContact CG-CB 4.11Å; M249-L279 HydrophobicContact SD-CB 4.19Å; M249-K280 HydrophobicContact CB-CG 4.18Å; M249-K280 HydrophobicContact CG-CG 4.1Å; M249-L283 HydrophobicContact CB-CD2 4.46Å; M249-L283 HydrophobicContact CG-CB 4.11Å; M249-L283 HydrophobicContact CG-CD2 3.87Å; M249-L283 HydrophobicContact SD-CB 4.03Å; M249-L283 HydrophobicContact SD-CD2 3.92Å; M249-L336 HydrophobicContact CB-CD1 4.16Å; M249-L336 HydrophobicContact CB-CD2 4Å; M249-L336 HydrophobicContact CG-CD2 4.5Å
250	E	98.1	Very high	98	Very high	44 Å²	44	55.1 Å²	55.1	21%	0.206	27%	0.268	C	S	.	.	H	α-helix	trans	-58	-38.8	175.6	-65.5	82.6	174.9	0	0	111.6	R248 Q254 K280	R248-E250 VanDerWaalsContact C-N 3.26Å; R248-E250 PolarHBondContact O-N 2.92Å; E250-Q254 WeakPolarHBondContact O-CB 3.48Å; E250-Q254 PolarHBondContact O-N 3.34Å; E250-K280 WeakPolarHBondContact OE1-CE 3.22Å; E250-K280 IonicContact OE1-NZ 2.88Å; E250-K280 PolarHBondContact OE1-NZ 2.8Å
251	E	98.4	Very high	97.9	Very high	76 Å²	76	56.8 Å²	56.8	36%	0.355	28%	0.28	S	S	.	.	H	α-helix	trans	-71.5	-39.8	175.9	-66.5	172.3	-177.4	0	0	112.2	A246 D247 R248 M249 M253 Q254 R255	A246-E251 HydrophobicContact CB-CB 3.67Å; D247-E251 PolarHBondContact N-OE2 3.11Å; R248-E251 HydrophobicContact CB-CG 4.2Å; R248-E251 WeakPolarHBondContact O-CB 3.4Å; R248-E251 PolarHBondContact O-N 3.2Å; R248-E251 VanDerWaalsContact O-N 3.14Å; M249-E251 PolarHBondContact O-N 3.46Å; E251-M253 VanDerWaalsContact C-N 3.31Å; E251-M253 PolarHBondContact O-N 2.73Å; E251-Q254 PolarHBondContact O-N 3.36Å; E251-R255 WeakPolarHBondContact O-CB 3.38Å; E251-R255 VanDerWaalsContact O-CG 3.32Å; E251-R255 WeakPolarHBondContact O-CG 3.43Å; E251-R255 PolarHBondContact O-N 3.1Å
252	V	98.6	Very high	97.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-56.5	-49.6	172.8	176.9	0	0	0	0	109.7	F244 A246 R248 M249 Q254 R255 L256 L271 L283	F244-V252 HydrophobicContact CD1-CG1 3.92Å; F244-V252 HydrophobicContact CE1-CG1 3.73Å; F244-V252 HydrophobicContact CZ-CG1 4.29Å; A246-V252 HydrophobicContact CB-CG2 3.81Å; R248-V252 PolarHBondContact O-N 3.31Å; R248-V252 VanDerWaalsContact O-N 3.14Å; M249-V252 HydrophobicContact CE-CB 4.38Å; M249-V252 HydrophobicContact CE-CG1 4.48Å; M249-V252 WeakPolarHBondContact O-CB 3.45Å; M249-V252 PolarHBondContact O-N 3.06Å; M249-V252 VanDerWaalsContact O-N 3.17Å; M249-V252 HydrophobicContact SD-CG2 4.36Å; V252-Q254 VanDerWaalsContact C-N 3.32Å; V252-Q254 PolarHBondContact O-N 3.47Å; V252-R255 PolarHBondContact O-N 2.97Å; V252-L256 HydrophobicContact CG1-CD1 4.13Å; V252-L256 WeakPolarHBondContact O-CG 3.49Å; V252-L256 PolarHBondContact O-N 3.37Å; V252-L256 VanDerWaalsContact O-N 3.08Å; V252-L271 HydrophobicContact CG1-CD1 4.38Å; V252-L283 HydrophobicContact CG2-CD2 4.28Å
253	M	98.5	Very high	97.8	Very high	10 Å²	10	51.4 Å²	51.4	5%	0.049	27%	0.266	C	S	.	.	H	α-helix	trans	-63.6	-38.4	179.7	-61.8	-65.7	-84.8	0	0	111.6	M249 E251 R257 L268 L271 E272 L336	M249-M253 HydrophobicContact CE-CG 4.39Å; M249-M253 HydrophobicContact CE-SD 4.38Å; M249-M253 VanDerWaalsContact O-CG 3.23Å; M249-M253 WeakPolarHBondContact O-CG 3.43Å; M249-M253 PolarHBondContact O-N 2.83Å; E251-M253 VanDerWaalsContact C-N 3.31Å; E251-M253 PolarHBondContact O-N 2.73Å; M253-R257 WeakPolarHBondContact O-CG 3.2Å; M253-R257 PolarHBondContact O-N 3.31Å; M253-L268 HydrophobicContact CB-CD1 4.31Å; M253-L268 HydrophobicContact CE-CD1 3.54Å; M253-L268 HydrophobicContact SD-CD1 3.75Å; M253-L271 HydrophobicContact CE-CB 4.25Å; M253-L271 HydrophobicContact SD-CB 3.79Å; M253-L271 HydrophobicContact SD-CD1 3.86Å; M253-L271 HydrophobicContact SD-CG 4.48Å; M253-E272 HydrophobicContact CE-CG 3.65Å; M253-L336 HydrophobicContact CE-CD1 4.48Å; M253-L336 HydrophobicContact CG-CD1 3.6Å; M253-L336 HydrophobicContact SD-CD1 4.5Å
254	Q	98.5	Very high	97.8	Very high	85 Å²	85	51.3 Å²	51.3	40%	0.397	27%	0.265	S	S	.	.	H	α-helix	trans	-66.9	-47.2	177.2	-170.4	56.3	40.9	0	0	112.2	E250 E251 V252 L256 R257 D258	E250-Q254 WeakPolarHBondContact O-CB 3.48Å; E250-Q254 PolarHBondContact O-N 3.34Å; E251-Q254 PolarHBondContact O-N 3.36Å; V252-Q254 VanDerWaalsContact C-N 3.32Å; V252-Q254 PolarHBondContact O-N 3.47Å; Q254-L256 VanDerWaalsContact C-N 3.26Å; Q254-L256 PolarHBondContact O-N 3.03Å; Q254-R257 WeakPolarHBondContact O-CA 3.42Å; Q254-R257 WeakPolarHBondContact O-CB 3.5Å; Q254-R257 PolarHBondContact O-N 3.05Å; Q254-D258 PolarHBondContact NE2-OD1 2.86Å; Q254-D258 PolarHBondContact NE2-OD2 3.2Å; Q254-D258 VanDerWaalsContact O-CG 3.27Å; Q254-D258 PolarHBondContact O-N 3.49Å
255	R	98.5	Very high	97.8	Very high	60 Å²	60	57 Å²	57	23%	0.226	29%	0.29	C	S	.	.	H	α-helix	trans	-59	-37.7	177.2	-70.4	175.9	-170.4	-174.9	5.5	112	Y242 A243 S245 E251 V252 D259	Y242-R255 HydrophobicContact CD1-CB 4.42Å; Y242-R255 HydrophobicContact CE1-CB 3.98Å; Y242-R255 HydrophobicContact CE1-CG 3.82Å; Y242-R255 PolarHBondContact O-NH1 2.94Å; A243-R255 HydrophobicContact CB-CB 4.36Å; S245-R255 PolarHBondContact OG-NH1 3.47Å; E251-R255 WeakPolarHBondContact O-CB 3.38Å; E251-R255 VanDerWaalsContact O-CG 3.32Å; E251-R255 WeakPolarHBondContact O-CG 3.43Å; E251-R255 PolarHBondContact O-N 3.1Å; V252-R255 PolarHBondContact O-N 2.97Å; R255-D259 PolarHBondContact O-N 3.07Å
256	L	98.4	Very high	97.8	Very high	2 Å²	2	60 Å²	60	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-71.2	-31.5	174.5	-69.9	171.9	0	0	0	113.2	A243 F244 V252 Q254 W263 A264 C267 L268 L271	A243-L256 HydrophobicContact CB-CD2 3.85Å; A243-L256 HydrophobicContact CB-CG 4.08Å; F244-L256 HydrophobicContact CZ-CD1 4.37Å; V252-L256 HydrophobicContact CG1-CD1 4.13Å; V252-L256 WeakPolarHBondContact O-CG 3.49Å; V252-L256 PolarHBondContact O-N 3.37Å; V252-L256 VanDerWaalsContact O-N 3.08Å; Q254-L256 VanDerWaalsContact C-N 3.26Å; Q254-L256 PolarHBondContact O-N 3.03Å; L256-W263 HydrophobicContact CD2-CH2 4.44Å; L256-W263 HydrophobicContact CD2-CZ3 3.94Å; L256-A264 HydrophobicContact CD2-CB 4.13Å; L256-C267 HydrophobicContact CD1-CB 4.44Å; L256-C267 HydrophobicContact CD2-CB 4.3Å; L256-L268 HydrophobicContact CB-CB 4.48Å; L256-L268 HydrophobicContact CB-CD1 4.35Å; L256-L271 HydrophobicContact CD1-CD1 3.51Å
257	R	98	Very high	97.8	Very high	111 Å²	111	60.4 Å²	60.4	42%	0.419	30%	0.304	S	S	.	.	H	α-helix	trans	-70.2	-36.6	173.9	-81.6	-174.5	-77.3	-97.5	3.9	112.5	M253 Q254 D259 L268	M253-R257 WeakPolarHBondContact O-CG 3.2Å; M253-R257 PolarHBondContact O-N 3.31Å; Q254-R257 WeakPolarHBondContact O-CA 3.42Å; Q254-R257 WeakPolarHBondContact O-CB 3.5Å; Q254-R257 PolarHBondContact O-N 3.05Å; R257-D259 PolarHBondContact O-N 3.3Å; R257-L268 HydrophobicContact CG-CD1 4.28Å; R257-L268 HydrophobicContact CG-CD2 3.5Å
258	D	98.1	Very high	97.9	Very high	118 Å²	118	55.8 Å²	55.8	63%	0.631	28%	0.28	S	S	*	.	H	α-helix	trans	-72.8	-20.7	178.9	-62.6	-24	0	0	0	111.9	Q254 A260	Q254-D258 PolarHBondContact NE2-OD1 2.86Å; Q254-D258 PolarHBondContact NE2-OD2 3.2Å; Q254-D258 VanDerWaalsContact O-CG 3.27Å; Q254-D258 PolarHBondContact O-N 3.49Å; D258-A260 PolarHBondContact O-N 3.05Å
259	D	97.1	Very high	97.9	Very high	43 Å²	43	52.6 Å²	52.6	23%	0.23	28%	0.277	C	S	.	.			trans	-84.6	105.9	173.1	-174.7	-28.1	0	0	0	111.3	Q239 R255 R257 S261 A264	Q239-D259 PolarHBondContact NE2-OD1 3.48Å; Q239-D259 PolarHBondContact NE2-OD2 3.01Å; R255-D259 PolarHBondContact O-N 3.07Å; R257-D259 PolarHBondContact O-N 3.3Å; D259-S261 PolarHBondContact O-N 3.07Å; D259-S261 VanDerWaalsContact O-N 3.15Å; D259-S261 WeakPolarHBondContact OD1-CB 3.34Å; D259-S261 PolarHBondContact OD1-N 3.14Å; D259-S261 PolarHBondContact OD1-OG 2.95Å; D259-A264 HydrophobicContact CB-CB 3.6Å; D259-A264 VanDerWaalsContact CG-CB 3.46Å; D259-A264 WeakPolarHBondContact O-CB 3.49Å
260	A	93.7	Very high	97.8	Very high	75 Å²	75	57.3 Å²	57.3	62%	0.62	30%	0.295	S	S	*	.			trans	-72.7	-2	-177.3	0	0	0	0	0	114.9	D258 K265	D258-A260 PolarHBondContact O-N 3.05Å; A260-K265 WeakPolarHBondContact O-CE 3.43Å; A260-K265 PolarHBondContact O-NZ 3.24Å
261	S	97.4	Very high	97.8	Very high	36 Å²	36	55.2 Å²	55.2	25%	0.252	29%	0.285	S	S	.	.	S	Bend	trans	-65.6	153.1	-177.8	71.3	0	0	0	0	112.9	Q239 D259 W263 A264 K265	Q239-S261 PolarHBondContact NE2-OG 3.34Å; D259-S261 PolarHBondContact O-N 3.07Å; D259-S261 VanDerWaalsContact O-N 3.15Å; D259-S261 WeakPolarHBondContact OD1-CB 3.34Å; D259-S261 PolarHBondContact OD1-N 3.14Å; D259-S261 PolarHBondContact OD1-OG 2.95Å; S261-W263 PolarHBondContact O-N 3.18Å; S261-A264 PolarHBondContact O-N 3.43Å; S261-A264 WeakPolarHBondContact OG-CB 3.45Å; S261-A264 PolarHBondContact OG-N 3.19Å; S261-K265 WeakPolarHBondContact O-CG 3.46Å; S261-K265 PolarHBondContact O-N 3.26Å
262	T	97.6	Very high	97.8	Very high	104 Å²	104	57.1 Å²	57.1	64%	0.638	29%	0.294	S	S	*	.	H	α-helix	trans	-61.3	-34	174.7	-53.9	0	0	0	0	111.8	N266	T262-N266 WeakPolarHBondContact O-CB 3.44Å; T262-N266 VanDerWaalsContact O-CG 3.23Å; T262-N266 PolarHBondContact O-N 2.9Å; T262-N266 PolarHBondContact O-ND2 3.48Å
263	W	97.5	Very high	97.7	Very high	35 Å²	35	63 Å²	63	13%	0.133	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-49.1	177.7	177.1	88.3	0	0	0	111.8	F174 H236 Q239 I240 F244 L256 S261 K265 N266 C267	F174-W263 HydrophobicContact CD2-CZ2 4.3Å; F174-W263 AromaticContact CE2-CZ2 3.84Å; F174-W263 HydrophobicContact CE2-CZ2 3.84Å; F174-W263 HydrophobicContact CZ-CZ2 4.28Å; H236-W263 HydrophobicContact CB-CD2 3.99Å; H236-W263 HydrophobicContact CB-CG 4.23Å; H236-W263 HydrophobicContact CB-CZ2 4.15Å; H236-W263 AromaticContact CD2-CD1 3.26Å; H236-W263 AromaticContact CD2-CG 3.91Å; H236-W263 AromaticContact CD2-NE1 3.57Å; H236-W263 VanDerWaalsContact CE1-CB 3.49Å; H236-W263 WeakPolarHBondContact CE1-CB 3.38Å; H236-W263 AromaticContact CE1-CD1 3.59Å; H236-W263 AromaticContact CE1-CG 3.58Å; H236-W263 AromaticContact CG-CD1 3.32Å; H236-W263 AromaticContact CG-CD2 3.86Å; H236-W263 AromaticContact CG-CE2 3.86Å; H236-W263 AromaticContact CG-CG 3.56Å; H236-W263 AromaticContact CG-NE1 3.49Å; H236-W263 AromaticContact ND1-CD1 3.52Å; H236-W263 AromaticContact ND1-CD2 3.86Å; H236-W263 AromaticContact ND1-CG 3.34Å; H236-W263 VanDerWaalsContact ND1-CG 3.34Å; H236-W263 AromaticContact NE2-CD1 3.43Å; H236-W263 AromaticContact NE2-CG 3.92Å; Q239-W263 HydrophobicContact CB-CE3 3.91Å; Q239-W263 HydrophobicContact CB-CH2 4.21Å; Q239-W263 HydrophobicContact CB-CZ3 3.54Å; Q239-W263 HydrophobicContact CG-CE3 4.49Å; I240-W263 HydrophobicContact CB-CH2 4.49Å; I240-W263 HydrophobicContact CD1-CZ2 3.97Å; I240-W263 HydrophobicContact CG1-CH2 3.5Å; I240-W263 VanDerWaalsContact CG1-CH2 3.5Å; I240-W263 HydrophobicContact CG1-CZ2 3.4Å; I240-W263 VanDerWaalsContact CG1-CZ2 3.4Å; F244-W263 HydrophobicContact CE2-CH2 4.29Å; L256-W263 HydrophobicContact CD2-CH2 4.44Å; L256-W263 HydrophobicContact CD2-CZ3 3.94Å; S261-W263 PolarHBondContact O-N 3.18Å; W263-K265 VanDerWaalsContact C-N 3.34Å; W263-K265 PolarHBondContact O-N 3.13Å; W263-N266 PolarHBondContact O-N 3.36Å; W263-C267 WeakPolarHBondContact O-CB 3.48Å; W263-C267 PolarHBondContact O-N 3.07Å
264	A	98.3	Very high	97.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.3	-40.4	-179.5	0	0	0	0	0	111.7	L256 D259 S261 N266 C267 L268	L256-A264 HydrophobicContact CD2-CB 4.13Å; D259-A264 HydrophobicContact CB-CB 3.6Å; D259-A264 VanDerWaalsContact CG-CB 3.46Å; D259-A264 WeakPolarHBondContact O-CB 3.49Å; S261-A264 PolarHBondContact O-N 3.43Å; S261-A264 WeakPolarHBondContact OG-CB 3.45Å; S261-A264 PolarHBondContact OG-N 3.19Å; A264-N266 PolarHBondContact O-N 3Å; A264-C267 WeakPolarHBondContact O-CB 3.45Å; A264-C267 PolarHBondContact O-N 2.68Å; A264-L268 WeakPolarHBondContact O-CB 3.31Å; A264-L268 PolarHBondContact O-N 3.44Å
265	K	98.2	Very high	97.7	Very high	120 Å²	120	58.6 Å²	58.6	52%	0.522	30%	0.299	S	S	.	.	H	α-helix	trans	-59.1	-44.9	173.2	-70.8	168.9	179.7	159.4	0	112.6	A260 S261 W263 L268 A269	A260-K265 WeakPolarHBondContact O-CE 3.43Å; A260-K265 PolarHBondContact O-NZ 3.24Å; S261-K265 WeakPolarHBondContact O-CG 3.46Å; S261-K265 PolarHBondContact O-N 3.26Å; W263-K265 VanDerWaalsContact C-N 3.34Å; W263-K265 PolarHBondContact O-N 3.13Å; K265-L268 PolarHBondContact O-N 3.3Å; K265-A269 WeakPolarHBondContact O-CB 3.27Å; K265-A269 PolarHBondContact O-N 2.84Å
266	N	98	Very high	97.7	Very high	108 Å²	108	56.1 Å²	56.1	58%	0.578	29%	0.29	S	S	*	.	H	α-helix	trans	-66.6	-38.6	176.7	-71.6	-19.9	0	0	0	111.9	T262 W263 A264 R270	T262-N266 WeakPolarHBondContact O-CB 3.44Å; T262-N266 VanDerWaalsContact O-CG 3.23Å; T262-N266 PolarHBondContact O-N 2.9Å; T262-N266 PolarHBondContact O-ND2 3.48Å; W263-N266 PolarHBondContact O-N 3.36Å; A264-N266 PolarHBondContact O-N 3Å; N266-R270 WeakPolarHBondContact O-CB 3.32Å; N266-R270 PolarHBondContact O-N 3.38Å
267	C	98.2	Very high	97.7	Very high	9 Å²	9	56.7 Å²	56.7	6%	0.061	29%	0.294	C	S	.	.	H	α-helix	trans	-63.8	-45.6	175.5	-173.8	0	0	0	0	111.3	L256 W263 A264 R270 L271	L256-C267 HydrophobicContact CD1-CB 4.44Å; L256-C267 HydrophobicContact CD2-CB 4.3Å; W263-C267 WeakPolarHBondContact O-CB 3.48Å; W263-C267 PolarHBondContact O-N 3.07Å; A264-C267 WeakPolarHBondContact O-CB 3.45Å; A264-C267 PolarHBondContact O-N 2.68Å; C267-R270 WeakPolarHBondContact O-CB 3.29Å; C267-R270 PolarHBondContact O-N 3.03Å; C267-L271 WeakPolarHBondContact O-CG 3.17Å; C267-L271 PolarHBondContact O-N 3.14Å
268	L	98	Very high	97.7	Very high	22 Å²	22	51.4 Å²	51.4	12%	0.115	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-51.3	176.9	-175	69.5	0	0	0	111.1	M253 L256 R257 A264 K265 R270 L271 E272	M253-L268 HydrophobicContact CB-CD1 4.31Å; M253-L268 HydrophobicContact CE-CD1 3.54Å; M253-L268 HydrophobicContact SD-CD1 3.75Å; L256-L268 HydrophobicContact CB-CB 4.48Å; L256-L268 HydrophobicContact CB-CD1 4.35Å; R257-L268 HydrophobicContact CG-CD1 4.28Å; R257-L268 HydrophobicContact CG-CD2 3.5Å; A264-L268 WeakPolarHBondContact O-CB 3.31Å; A264-L268 PolarHBondContact O-N 3.44Å; K265-L268 PolarHBondContact O-N 3.3Å; L268-R270 PolarHBondContact O-N 3.33Å; L268-R270 VanDerWaalsContact O-N 3.14Å; L268-L271 PolarHBondContact O-N 3.47Å; L268-E272 HydrophobicContact CG-CG 4.5Å; L268-E272 WeakPolarHBondContact O-CG 3.49Å; L268-E272 PolarHBondContact O-N 3.39Å
269	A	97.6	Very high	97.8	Very high	45 Å²	45	46 Å²	46	37%	0.372	25%	0.245	S	C	.	.	H	α-helix	trans	-59.6	-27.7	177.8	0	0	0	0	0	112.9	K265	K265-A269 WeakPolarHBondContact O-CB 3.27Å; K265-A269 PolarHBondContact O-N 2.84Å
270	R	97.6	Very high	97.8	Very high	100 Å²	100	44.7 Å²	44.7	38%	0.377	24%	0.237	S	C	.	.	H	α-helix	trans	-73.1	-48.1	172.8	-177.4	62.8	178.2	159.7	4.2	111.2	T178 N266 C267 L268 E272 K273 M274	T178-R270 PolarHBondContact O-NE 3.11Å; T178-R270 VanDerWaalsContact O-NE 3.07Å; N266-R270 WeakPolarHBondContact O-CB 3.32Å; N266-R270 PolarHBondContact O-N 3.38Å; C267-R270 WeakPolarHBondContact O-CB 3.29Å; C267-R270 PolarHBondContact O-N 3.03Å; L268-R270 PolarHBondContact O-N 3.33Å; L268-R270 VanDerWaalsContact O-N 3.14Å; R270-E272 VanDerWaalsContact C-N 3.32Å; R270-E272 PolarHBondContact O-N 3.3Å; R270-K273 PolarHBondContact O-N 3.35Å; R270-M274 HydrophobicContact CG-CE 4.07Å; R270-M274 VanDerWaalsContact NE-CE 3.35Å; R270-M274 WeakPolarHBondContact O-CE 3.42Å
271	L	98.5	Very high	98.1	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-37.2	179.8	-70.3	170.8	0	0	0	112.2	L177 T178 F244 V252 M253 L256 C267 L268 K273 M274 L279	L177-L271 HydrophobicContact CB-CD2 3.84Å; T178-L271 HydrophobicContact CG2-CD2 3.76Å; T178-L271 HydrophobicContact CG2-CG 4.1Å; F244-L271 HydrophobicContact CE1-CD1 4.45Å; F244-L271 HydrophobicContact CZ-CD1 4.37Å; V252-L271 HydrophobicContact CG1-CD1 4.38Å; M253-L271 HydrophobicContact CE-CB 4.25Å; M253-L271 HydrophobicContact SD-CB 3.79Å; M253-L271 HydrophobicContact SD-CD1 3.86Å; M253-L271 HydrophobicContact SD-CG 4.48Å; L256-L271 HydrophobicContact CD1-CD1 3.51Å; C267-L271 WeakPolarHBondContact O-CG 3.17Å; C267-L271 PolarHBondContact O-N 3.14Å; L268-L271 PolarHBondContact O-N 3.47Å; L271-K273 PolarHBondContact O-N 3.01Å; L271-K273 VanDerWaalsContact O-N 3.12Å; L271-M274 WeakPolarHBondContact O-CB 3.31Å; L271-M274 PolarHBondContact O-N 2.94Å; L271-L279 HydrophobicContact CD2-CD2 3.76Å
272	E	97.4	Very high	98.1	Very high	116 Å²	116	39.4 Å²	39.4	54%	0.542	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.5	178.3	-71.9	174.6	162	0	0	113.8	M253 L268 R270	M253-E272 HydrophobicContact CE-CG 3.65Å; L268-E272 HydrophobicContact CG-CG 4.5Å; L268-E272 WeakPolarHBondContact O-CG 3.49Å; L268-E272 PolarHBondContact O-N 3.39Å; R270-E272 VanDerWaalsContact C-N 3.32Å; R270-E272 PolarHBondContact O-N 3.3Å
273	K	96.9	Very high	98.2	Very high	123 Å²	123	34.6 Å²	34.6	54%	0.535	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-10.5	175.9	-64.6	-176.5	179.7	-162.1	0	113.7	R270 L271 W331	R270-K273 PolarHBondContact O-N 3.35Å; L271-K273 PolarHBondContact O-N 3.01Å; L271-K273 VanDerWaalsContact O-N 3.12Å; K273-W331 PolarHBondContact O-NE1 3.09Å
274	M	98.2	Very high	98.3	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.015	17%	0.171	C	C	.	.	S	Bend	trans	-85.7	157.5	-177.4	-54	-57.3	132.1	0	0	111.2	A151 R270 L271 P276 L279 W331	A151-M274 VanDerWaalsContact CA-SD 3.55Å; A151-M274 HydrophobicContact CB-CE 4.34Å; A151-M274 HydrophobicContact CB-SD 3.64Å; R270-M274 HydrophobicContact CG-CE 4.07Å; R270-M274 VanDerWaalsContact NE-CE 3.35Å; R270-M274 WeakPolarHBondContact O-CE 3.42Å; L271-M274 WeakPolarHBondContact O-CB 3.31Å; L271-M274 PolarHBondContact O-N 2.94Å; M274-P276 WeakPolarHBondContact O-CD 3.32Å; M274-L279 HydrophobicContact CB-CD1 3.95Å; M274-L279 HydrophobicContact CB-CD2 3.83Å; M274-L279 HydrophobicContact CB-CG 3.8Å; M274-L279 HydrophobicContact CG-CD2 4.2Å; M274-W331 VanDerWaalsContact C-NE1 3.34Å; M274-W331 PolarHBondContact O-NE1 2.93Å
275	S	98.4	Very high	98.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.			trans	-60	123	174.4	155.5	0	0	0	0	110.2	T150 T277 S278 L279 D313	T150-S275 PolarHBondContact O-N 3.36Å; S275-T277 VanDerWaalsContact C-N 3.28Å; S275-T277 PolarHBondContact O-N 2.92Å; S275-S278 VanDerWaalsContact CB-OG 3.26Å; S275-S278 WeakPolarHBondContact CB-OG 3.39Å; S275-S278 WeakPolarHBondContact O-CB 3.39Å; S275-S278 PolarHBondContact O-N 2.86Å; S275-S278 VanDerWaalsContact O-N 3.1Å; S275-S278 WeakPolarHBondContact OG-CB 3.26Å; S275-S278 PolarHBondContact OG-N 2.92Å; S275-S278 VanDerWaalsContact OG-N 3.09Å; S275-S278 PolarHBondContact OG-OG 2.92Å; S275-L279 WeakPolarHBondContact O-CG 3.36Å; S275-L279 PolarHBondContact O-N 2.85Å; S275-D313 WeakPolarHBondContact CB-OD2 3.46Å; S275-D313 PolarHBondContact OG-OD2 3.33Å
276	P	98.5	Very high	98.3	Very high	7 Å²	7	29.6 Å²	29.6	5%	0.045	15%	0.146	C	C	.	.	H	α-helix	trans	-57.2	-40.4	177.9	-28.9	37.9	0	0	0	113	M274 L279 K280 P333 L336 V339	M274-P276 WeakPolarHBondContact O-CD 3.32Å; P276-L279 PolarHBondContact O-N 2.93Å; P276-K280 PolarHBondContact O-N 2.98Å; P276-K280 VanDerWaalsContact O-N 3.15Å; P276-P333 WeakPolarHBondContact CD-O 3.31Å; P276-P333 WeakPolarHBondContact CG-O 3.47Å; P276-L336 HydrophobicContact CB-CD2 3.97Å; P276-L336 HydrophobicContact CB-CG 4.41Å; P276-V339 HydrophobicContact CB-CG2 3.9Å
277	T	98.5	Very high	98.3	Very high	14 Å²	14	27.6 Å²	27.6	9%	0.086	13%	0.132	C	C	.	.	H	α-helix	trans	-61.1	-48.5	174.7	-56.9	0	0	0	0	110.7	S275 L279 K280 V281 M308 F347	S275-T277 VanDerWaalsContact C-N 3.28Å; S275-T277 PolarHBondContact O-N 2.92Å; T277-L279 VanDerWaalsContact C-N 3.34Å; T277-L279 PolarHBondContact O-N 3.21Å; T277-K280 PolarHBondContact O-N 3.46Å; T277-V281 HydrophobicContact CG2-CG2 4.37Å; T277-V281 WeakPolarHBondContact O-CB 3.38Å; T277-V281 WeakPolarHBondContact O-CG2 3.4Å; T277-V281 PolarHBondContact O-N 3.32Å; T277-M308 HydrophobicContact CG2-SD 4.37Å; T277-F347 HydrophobicContact CG2-CE2 3.83Å; T277-F347 HydrophobicContact CG2-CZ 4.02Å
278	S	98.7	Very high	98.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-38.7	-179.2	-61.2	0	0	0	0	112.6	G153 F154 S275 T282	G153-S278 VanDerWaalsContact CA-OG 3.26Å; G153-S278 WeakPolarHBondContact CA-OG 3.32Å; G153-S278 PolarHBondContact O-OG 3.31Å; F154-S278 PolarHBondContact N-OG 2.83Å; F154-S278 WeakPolarHBondContact O-CB 3.36Å; F154-S278 PolarHBondContact O-OG 3.48Å; S275-S278 VanDerWaalsContact CB-OG 3.26Å; S275-S278 WeakPolarHBondContact CB-OG 3.39Å; S275-S278 WeakPolarHBondContact O-CB 3.39Å; S275-S278 PolarHBondContact O-N 2.86Å; S275-S278 VanDerWaalsContact O-N 3.1Å; S275-S278 WeakPolarHBondContact OG-CB 3.26Å; S275-S278 PolarHBondContact OG-N 2.92Å; S275-S278 VanDerWaalsContact OG-N 3.09Å; S275-S278 PolarHBondContact OG-OG 2.92Å; S278-T282 WeakPolarHBondContact O-CB 3.23Å; S278-T282 PolarHBondContact O-N 3.09Å; S278-T282 PolarHBondContact O-OG1 3.38Å
279	L	98.8	Very high	98.3	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-61.6	-48	174.5	-72.4	174.1	0	0	0	111.7	L177 M249 L271 M274 S275 P276 T277 T282 L283 L336	L177-L279 HydrophobicContact CB-CD2 4.16Å; L177-L279 HydrophobicContact CD2-CB 4.44Å; L177-L279 HydrophobicContact CD2-CD2 3.83Å; L177-L279 WeakPolarHBondContact CD2-O 3.3Å; M249-L279 HydrophobicContact CE-CB 4Å; M249-L279 HydrophobicContact CE-CD1 4.06Å; M249-L279 HydrophobicContact CE-CD2 4.19Å; M249-L279 HydrophobicContact CE-CG 4.33Å; M249-L279 HydrophobicContact CG-CB 4.11Å; M249-L279 HydrophobicContact SD-CB 4.19Å; L271-L279 HydrophobicContact CD2-CD2 3.76Å; M274-L279 HydrophobicContact CB-CD1 3.95Å; M274-L279 HydrophobicContact CB-CD2 3.83Å; M274-L279 HydrophobicContact CB-CG 3.8Å; M274-L279 HydrophobicContact CG-CD2 4.2Å; S275-L279 WeakPolarHBondContact O-CG 3.36Å; S275-L279 PolarHBondContact O-N 2.85Å; P276-L279 PolarHBondContact O-N 2.93Å; T277-L279 VanDerWaalsContact C-N 3.34Å; T277-L279 PolarHBondContact O-N 3.21Å; L279-T282 PolarHBondContact O-N 3.39Å; L279-L283 PolarHBondContact O-N 3.09Å; L279-L336 HydrophobicContact CB-CD2 4.29Å; L279-L336 HydrophobicContact CD1-CD2 4.22Å
280	K	98.8	Very high	98.3	Very high	16 Å²	16	34.7 Å²	34.7	7%	0.07	15%	0.15	C	C	.	.	H	α-helix	trans	-66.6	-43.3	179	-72.5	-163.5	179.6	-178	0	112.6	M249 E250 P276 T277 T282 K284 L336 V339 L344	M249-K280 HydrophobicContact CB-CG 4.18Å; M249-K280 HydrophobicContact CG-CG 4.1Å; E250-K280 WeakPolarHBondContact OE1-CE 3.22Å; E250-K280 IonicContact OE1-NZ 2.88Å; E250-K280 PolarHBondContact OE1-NZ 2.8Å; P276-K280 PolarHBondContact O-N 2.98Å; P276-K280 VanDerWaalsContact O-N 3.15Å; T277-K280 PolarHBondContact O-N 3.46Å; K280-T282 VanDerWaalsContact C-N 3.32Å; K280-T282 PolarHBondContact O-N 3.26Å; K280-K284 WeakPolarHBondContact O-CB 3.41Å; K280-K284 PolarHBondContact O-N 3.45Å; K280-L336 WeakPolarHBondContact CE-O 3.47Å; K280-L336 HydrophobicContact CG-CD2 4.14Å; K280-L336 PolarHBondContact NZ-O 3.1Å; K280-V339 HydrophobicContact CD-CB 3.82Å; K280-V339 HydrophobicContact CD-CG1 3.88Å; K280-V339 HydrophobicContact CD-CG2 4.39Å; K280-V339 PolarHBondContact NZ-O 3.1Å; K280-L344 HydrophobicContact CB-CD1 3.92Å; K280-L344 HydrophobicContact CB-CD2 4.03Å; K280-L344 HydrophobicContact CD-CD2 4.28Å
281	V	98.7	Very high	98.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.6	-49.6	173.7	168.4	0	0	0	0	109.5	F155 T277 K284 Q285 L304 M308 L344 F347 F348	F155-V281 HydrophobicContact CB-CG1 4.11Å; F155-V281 HydrophobicContact CG-CG1 4.36Å; T277-V281 HydrophobicContact CG2-CG2 4.37Å; T277-V281 WeakPolarHBondContact O-CB 3.38Å; T277-V281 WeakPolarHBondContact O-CG2 3.4Å; T277-V281 PolarHBondContact O-N 3.32Å; V281-K284 PolarHBondContact O-N 2.7Å; V281-Q285 WeakPolarHBondContact O-CG 3.43Å; V281-Q285 PolarHBondContact O-N 3.48Å; V281-L304 HydrophobicContact CG1-CD1 3.99Å; V281-L304 HydrophobicContact CG1-CD2 3.9Å; V281-L304 HydrophobicContact CG1-CG 4.46Å; V281-M308 HydrophobicContact CG2-SD 4.1Å; V281-L344 HydrophobicContact CB-CD1 4.45Å; V281-L344 HydrophobicContact CG2-CD1 3.66Å; V281-F347 HydrophobicContact CG2-CD2 4.04Å; V281-F347 HydrophobicContact CG2-CG 4.26Å; V281-F348 HydrophobicContact CG1-CE2 4.43Å; V281-F348 HydrophobicContact CG1-CZ 4.16Å; V281-F348 HydrophobicContact CG2-CE2 4.48Å
282	T	98.9	Very high	98.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.6	-52.4	-179.5	-63.4	0	0	0	0	111.9	T150 P156 A176 L177 S278 L279 K280 K284 Q285 M286	T150-T282 HydrophobicContact CG2-CG2 4.38Å; T150-T282 WeakPolarHBondContact CG2-OG1 3.3Å; P156-T282 VanDerWaalsContact CD-OG1 3.3Å; P156-T282 WeakPolarHBondContact CD-OG1 3.49Å; P156-T282 HydrophobicContact CG-CG2 4.1Å; A176-T282 HydrophobicContact CB-CG2 3.66Å; L177-T282 HydrophobicContact CD2-CG2 3.66Å; L177-T282 HydrophobicContact CG-CG2 4.13Å; S278-T282 WeakPolarHBondContact O-CB 3.23Å; S278-T282 PolarHBondContact O-N 3.09Å; S278-T282 PolarHBondContact O-OG1 3.38Å; L279-T282 PolarHBondContact O-N 3.39Å; K280-T282 VanDerWaalsContact C-N 3.32Å; K280-T282 PolarHBondContact O-N 3.26Å; T282-K284 VanDerWaalsContact C-N 3.3Å; T282-K284 PolarHBondContact O-N 3Å; T282-Q285 WeakPolarHBondContact O-CG 3.47Å; T282-Q285 PolarHBondContact O-N 2.89Å; T282-M286 HydrophobicContact CG2-CG 4.41Å; T282-M286 VanDerWaalsContact O-CG 3.25Å; T282-M286 WeakPolarHBondContact O-CG 3.32Å; T282-M286 PolarHBondContact O-N 2.83Å
283	L	98.8	Very high	98.3	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-58.3	-45.6	179.3	-179.2	61.3	0	0	0	111.3	I173 L177 R248 M249 V252 L279 M286 K287	I173-L283 HydrophobicContact CG2-CD1 3.88Å; L177-L283 HydrophobicContact CD1-CD1 4.49Å; L177-L283 HydrophobicContact CD2-CB 4.35Å; R248-L283 VanDerWaalsContact C-CD2 3.43Å; M249-L283 HydrophobicContact CB-CD2 4.46Å; M249-L283 HydrophobicContact CG-CB 4.11Å; M249-L283 HydrophobicContact CG-CD2 3.87Å; M249-L283 HydrophobicContact SD-CB 4.03Å; M249-L283 HydrophobicContact SD-CD2 3.92Å; V252-L283 HydrophobicContact CG2-CD2 4.28Å; L279-L283 PolarHBondContact O-N 3.09Å; L283-M286 PolarHBondContact O-N 2.87Å; L283-K287 VanDerWaalsContact O-CG 3.32Å; L283-K287 WeakPolarHBondContact O-CG 3.37Å; L283-K287 PolarHBondContact O-N 2.98Å; L283-K287 VanDerWaalsContact O-N 3.12Å
284	K	98.6	Very high	98.4	Very high	50 Å²	50	30.2 Å²	30.2	22%	0.217	15%	0.151	C	C	.	.	H	α-helix	trans	-63.6	-44.4	-180	-175.7	172.7	173.1	-166.9	0	112.4	K280 V281 T282 M286 K287 L288 L344 N345 F348	K280-K284 WeakPolarHBondContact O-CB 3.41Å; K280-K284 PolarHBondContact O-N 3.45Å; V281-K284 PolarHBondContact O-N 2.7Å; T282-K284 VanDerWaalsContact C-N 3.3Å; T282-K284 PolarHBondContact O-N 3Å; K284-M286 VanDerWaalsContact C-N 3.33Å; K284-M286 PolarHBondContact O-N 3.18Å; K284-K287 PolarHBondContact O-N 3.02Å; K284-L288 HydrophobicContact CG-CD1 4.14Å; K284-L288 WeakPolarHBondContact O-CG 3.29Å; K284-L288 PolarHBondContact O-N 3.42Å; K284-L344 HydrophobicContact CD-CD2 4.37Å; K284-L344 HydrophobicContact CD-CG 4.31Å; K284-N345 PolarHBondContact NZ-OD1 3.01Å; K284-F348 HydrophobicContact CB-CE2 4.25Å; K284-F348 HydrophobicContact CB-CZ 3.82Å; K284-F348 HydrophobicContact CD-CD2 4.01Å; K284-F348 HydrophobicContact CD-CE1 4.48Å; K284-F348 HydrophobicContact CD-CE2 3.62Å; K284-F348 HydrophobicContact CD-CZ 3.89Å; K284-F348 HydrophobicContact CG-CE1 4.18Å; K284-F348 HydrophobicContact CG-CE2 4.06Å; K284-F348 HydrophobicContact CG-CZ 3.77Å
285	Q	98.6	Very high	98.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-34.3	177.3	62.7	155	-8.1	0	0	112.7	P156 V281 T282 K287 L288 G289 M300 L304 F348	P156-Q285 PolarHBondContact O-NE2 2.95Å; V281-Q285 WeakPolarHBondContact O-CG 3.43Å; V281-Q285 PolarHBondContact O-N 3.48Å; T282-Q285 WeakPolarHBondContact O-CG 3.47Å; T282-Q285 PolarHBondContact O-N 2.89Å; Q285-K287 VanDerWaalsContact C-N 3.35Å; Q285-L288 PolarHBondContact O-N 2.74Å; Q285-G289 PolarHBondContact O-N 2.88Å; Q285-M300 HydrophobicContact CB-CE 3.81Å; Q285-M300 HydrophobicContact CB-SD 4.24Å; Q285-L304 HydrophobicContact CB-CD1 3.97Å; Q285-L304 HydrophobicContact CG-CD1 4.42Å; Q285-F348 HydrophobicContact CB-CE1 3.88Å; Q285-F348 HydrophobicContact CB-CZ 4.23Å
286	M	98.6	Very high	98.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-41.6	176	-66.9	-56.6	110.5	0	0	111.2	L164 P165 I173 A176 T282 L283 K284 R290	L164-M286 HydrophobicContact CB-SD 3.7Å; L164-M286 HydrophobicContact CD1-CE 4.33Å; L164-M286 HydrophobicContact CD1-SD 4.18Å; P165-M286 HydrophobicContact CB-CB 4.38Å; P165-M286 VanDerWaalsContact CB-O 3.26Å; P165-M286 WeakPolarHBondContact CB-O 3.48Å; P165-M286 WeakPolarHBondContact CG-O 3.4Å; P165-M286 HydrophobicContact CG-SD 4.42Å; I173-M286 HydrophobicContact CD1-CB 4.4Å; I173-M286 HydrophobicContact CG1-CB 4.04Å; I173-M286 HydrophobicContact CG1-CG 4.3Å; A176-M286 HydrophobicContact CB-CE 4.48Å; A176-M286 HydrophobicContact CB-CG 4.25Å; A176-M286 HydrophobicContact CB-SD 4.05Å; T282-M286 HydrophobicContact CG2-CG 4.41Å; T282-M286 VanDerWaalsContact O-CG 3.25Å; T282-M286 WeakPolarHBondContact O-CG 3.32Å; T282-M286 PolarHBondContact O-N 2.83Å; L283-M286 PolarHBondContact O-N 2.87Å; K284-M286 VanDerWaalsContact C-N 3.33Å; K284-M286 PolarHBondContact O-N 3.18Å; M286-R290 PolarHBondContact O-N 2.79Å
287	K	98	Very high	98.4	Very high	65 Å²	65	38.3 Å²	38.3	28%	0.283	19%	0.188	S	C	.	.	H	α-helix	trans	-65	-45.7	178.3	-66.9	-77.1	-179.4	153.6	0	111.7	S245 A246 D247 L283 K284 Q285	S245-K287 PolarHBondContact O-NZ 3.42Å; A246-K287 WeakPolarHBondContact O-CE 3.21Å; A246-K287 PolarHBondContact O-NZ 3.39Å; D247-K287 IonicContact OD1-NZ 3.22Å; D247-K287 PolarHBondContact OD1-NZ 3.22Å; L283-K287 VanDerWaalsContact O-CG 3.32Å; L283-K287 WeakPolarHBondContact O-CG 3.37Å; L283-K287 PolarHBondContact O-N 2.98Å; L283-K287 VanDerWaalsContact O-N 3.12Å; K284-K287 PolarHBondContact O-N 3.02Å; Q285-K287 VanDerWaalsContact C-N 3.35Å
288	L	98.3	Very high	98.4	Very high	64 Å²	64	37.6 Å²	37.6	34%	0.335	18%	0.184	S	C	.	.	H	α-helix	trans	-66.3	-48.2	177.1	-69.2	174.5	0	0	0	111.9	K284 Q285 R290 T291 M292 M300 F348	K284-L288 HydrophobicContact CG-CD1 4.14Å; K284-L288 WeakPolarHBondContact O-CG 3.29Å; K284-L288 PolarHBondContact O-N 3.42Å; Q285-L288 PolarHBondContact O-N 2.74Å; L288-R290 PolarHBondContact O-N 3.21Å; L288-T291 PolarHBondContact O-N 2.61Å; L288-T291 PolarHBondContact O-OG1 3.49Å; L288-M292 HydrophobicContact CB-CE 3.9Å; L288-M292 HydrophobicContact CB-SD 4.32Å; L288-M292 WeakPolarHBondContact O-CG 3.4Å; L288-M300 HydrophobicContact CB-CE 4.46Å; L288-M300 HydrophobicContact CB-SD 3.89Å; L288-M300 HydrophobicContact CD1-SD 3.85Å; L288-F348 HydrophobicContact CD1-CD1 3.78Å; L288-F348 HydrophobicContact CD1-CE1 3.92Å
289	G	98.5	Very high	98.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.6	-20.7	-175	0	0	0	0	0	114.3	S161 R166 Q285 T291 M292	S161-G289 CarbonylContact O-C 3.59Å; S161-G289 VanDerWaalsContact O-C 3.31Å; S161-G289 VanDerWaalsContact O-CA 3.22Å; S161-G289 WeakPolarHBondContact O-CA 3.36Å; R166-G289 PolarHBondContact NH1-O 3.36Å; R166-G289 PolarHBondContact NH2-O 2.79Å; Q285-G289 PolarHBondContact O-N 2.88Å; G289-T291 PolarHBondContact O-N 2.89Å; G289-M292 PolarHBondContact O-N 2.72Å
290	R	97.1	Very high	98.4	Very high	161 Å²	161	40.9 Å²	40.9	61%	0.608	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-34.9	176.8	-167.6	178	-173.7	-161.9	2	113.3	P165 R166 M286 L288	P165-R290 HydrophobicContact CB-CB 4.06Å; P165-R290 HydrophobicContact CB-CG 4.38Å; P165-R290 HydrophobicContact CG-CB 4.43Å; R166-R290 PolarHBondContact NH2-O 3.17Å; R166-R290 VanDerWaalsContact NH2-O 3.17Å; M286-R290 PolarHBondContact O-N 2.79Å; L288-R290 PolarHBondContact O-N 3.21Å
291	T	97.6	Very high	98.4	Very high	126 Å²	126	40.1 Å²	40.1	77%	0.773	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-10.5	-176.9	57.3	0	0	0	0	113.7	L288 G289	L288-T291 PolarHBondContact O-N 2.61Å; L288-T291 PolarHBondContact O-OG1 3.49Å; G289-T291 PolarHBondContact O-N 2.89Å
292	M	98.5	Very high	98.4	Very high	48 Å²	48	40.5 Å²	40.5	24%	0.236	20%	0.197	C	C	.	.	S	Bend	trans	-75.9	151.9	177.3	-73.2	175.5	177.1	0	0	112.5	R166 L288 G289 E296 M300	R166-M292 PolarHBondContact NH2-O 3.25Å; L288-M292 HydrophobicContact CB-CE 3.9Å; L288-M292 HydrophobicContact CB-SD 4.32Å; L288-M292 WeakPolarHBondContact O-CG 3.4Å; G289-M292 PolarHBondContact O-N 2.72Å; M292-E296 HydrophobicContact CB-CB 3.85Å; M292-E296 HydrophobicContact CG-CB 4.08Å; M292-E296 HydrophobicContact SD-CB 4.33Å; M292-M300 HydrophobicContact CE-SD 4.29Å; M292-M300 HydrophobicContact SD-CE 4.16Å; M292-M300 HydrophobicContact SD-SD 4.1Å
293	S	98.3	Very high	98.4	Very high	56 Å²	56	43.3 Å²	43.3	39%	0.392	21%	0.207	S	C	.	.			trans	-63.8	167.5	162.2	67.4	0	0	0	0	111.5	E296 C297	S293-E296 VanDerWaalsContact CB-OE2 3.26Å; S293-E296 WeakPolarHBondContact CB-OE2 3.39Å; S293-E296 PolarHBondContact N-OE2 3.44Å; S293-E296 PolarHBondContact O-N 3.49Å; S293-E296 WeakPolarHBondContact OG-CB 3.29Å; S293-E296 VanDerWaalsContact OG-CD 3.26Å; S293-E296 VanDerWaalsContact OG-CG 3.22Å; S293-E296 WeakPolarHBondContact OG-CG 3.46Å; S293-E296 PolarHBondContact OG-N 3.47Å; S293-E296 PolarHBondContact OG-OE2 2.9Å; S293-C297 PolarHBondContact O-N 2.91Å; S293-C297 PolarHBondContact O-SG 3Å
294	F	98.3	Very high	98.4	Very high	16 Å²	16	43.1 Å²	43.1	7%	0.07	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-45.3	178.7	-174.7	-93.9	0	0	0	112	N105 N106 K109 H133 Y162 E296 C297 M298	N105-F294 HydrophobicContact CB-CZ 4.31Å; N106-F294 HydrophobicContact CB-CE1 4.02Å; N106-F294 WeakPolarHBondContact OD1-CD1 3.26Å; K109-F294 HydrophobicContact CB-CD1 4.16Å; K109-F294 HydrophobicContact CB-CE1 4.01Å; K109-F294 HydrophobicContact CB-CG 4.5Å; K109-F294 HydrophobicContact CB-CZ 4.18Å; K109-F294 HydrophobicContact CD-CD2 4.21Å; K109-F294 HydrophobicContact CD-CE2 4.42Å; K109-F294 HydrophobicContact CD-CG 4.48Å; K109-F294 HydrophobicContact CG-CB 4.48Å; K109-F294 HydrophobicContact CG-CD1 3.99Å; K109-F294 HydrophobicContact CG-CD2 4.05Å; K109-F294 HydrophobicContact CG-CE1 4.28Å; K109-F294 HydrophobicContact CG-CE2 4.33Å; K109-F294 HydrophobicContact CG-CG 3.87Å; K109-F294 HydrophobicContact CG-CZ 4.42Å; H133-F294 AromaticContact CD2-CZ 3.9Å; H133-F294 AromaticContact CE1-CE2 3.36Å; H133-F294 WeakPolarHBondContact CE1-CE2 3.26Å; H133-F294 AromaticContact CE1-CZ 3.87Å; H133-F294 AromaticContact CG-CE2 3.88Å; H133-F294 AromaticContact CG-CZ 3.97Å; H133-F294 AromaticContact ND1-CE2 3.39Å; H133-F294 WeakPolarHBondContact ND1-CE2 3.48Å; H133-F294 AromaticContact ND1-CZ 3.96Å; H133-F294 AromaticContact NE2-CE2 3.78Å; H133-F294 AromaticContact NE2-CZ 3.81Å; Y162-F294 AromaticContact CD1-CD2 3.76Å; Y162-F294 HydrophobicContact CD1-CD2 3.76Å; Y162-F294 HydrophobicContact CD1-CE2 4.4Å; Y162-F294 HydrophobicContact CD2-CB 4.1Å; Y162-F294 HydrophobicContact CD2-CD2 4.09Å; Y162-F294 HydrophobicContact CE1-CD2 4.24Å; Y162-F294 HydrophobicContact CE2-CB 4.05Å; Y162-F294 AromaticContact CG-CD2 3.67Å; Y162-F294 HydrophobicContact CG-CD2 3.67Å; Y162-F294 HydrophobicContact CG-CE2 4.42Å; F294-E296 PolarHBondContact O-N 2.82Å; F294-C297 VanDerWaalsContact O-CB 3.31Å; F294-C297 WeakPolarHBondContact O-CB 3.41Å; F294-C297 PolarHBondContact O-N 2.92Å; F294-M298 HydrophobicContact CD1-CG 3.86Å; F294-M298 HydrophobicContact CE1-CE 4.05Å; F294-M298 HydrophobicContact CE1-CG 3.37Å; F294-M298 HydrophobicContact CE1-SD 3.72Å; F294-M298 HydrophobicContact CE2-CE 3.87Å; F294-M298 HydrophobicContact CE2-SD 4.49Å; F294-M298 HydrophobicContact CZ-CE 3.59Å; F294-M298 HydrophobicContact CZ-CG 3.9Å; F294-M298 HydrophobicContact CZ-SD 3.64Å; F294-M298 WeakPolarHBondContact O-CG 3.35Å; F294-M298 PolarHBondContact O-N 3.49Å
295	E	98.4	Very high	98.3	Very high	77 Å²	77	40.7 Å²	40.7	36%	0.36	20%	0.196	S	C	.	.	H	α-helix	trans	-67	-35.8	179.8	-70.2	-174.6	-177.4	0	0	112.8	N106 C297 M298 K299 F359	N106-E295 WeakPolarHBondContact OD1-CG 3.4Å; E295-C297 VanDerWaalsContact C-N 3.35Å; E295-M298 PolarHBondContact O-N 3.24Å; E295-K299 WeakPolarHBondContact O-CG 3.18Å; E295-K299 PolarHBondContact O-N 2.97Å; E295-F359 HydrophobicContact CB-CD2 3.75Å; E295-F359 HydrophobicContact CB-CE2 3.6Å; E295-F359 HydrophobicContact CB-CZ 4.49Å; E295-F359 HydrophobicContact CG-CD2 3.6Å; E295-F359 HydrophobicContact CG-CE2 3.81Å; E295-F359 HydrophobicContact CG-CG 4.16Å
296	E	98.4	Very high	98	Very high	103 Å²	103	41 Å²	41	48%	0.481	20%	0.197	S	C	.	.	H	α-helix	trans	-64.3	-40.4	172.3	-74.4	167.3	135.5	0	0	111.5	M292 S293 F294 K299 M300	M292-E296 HydrophobicContact CB-CB 3.85Å; M292-E296 HydrophobicContact CG-CB 4.08Å; M292-E296 HydrophobicContact SD-CB 4.33Å; S293-E296 VanDerWaalsContact CB-OE2 3.26Å; S293-E296 WeakPolarHBondContact CB-OE2 3.39Å; S293-E296 PolarHBondContact N-OE2 3.44Å; S293-E296 PolarHBondContact O-N 3.49Å; S293-E296 WeakPolarHBondContact OG-CB 3.29Å; S293-E296 VanDerWaalsContact OG-CD 3.26Å; S293-E296 VanDerWaalsContact OG-CG 3.22Å; S293-E296 WeakPolarHBondContact OG-CG 3.46Å; S293-E296 PolarHBondContact OG-N 3.47Å; S293-E296 PolarHBondContact OG-OE2 2.9Å; F294-E296 PolarHBondContact O-N 2.82Å; E296-K299 PolarHBondContact O-N 2.65Å; E296-M300 WeakPolarHBondContact O-CB 3.42Å; E296-M300 PolarHBondContact O-N 2.87Å
297	C	98.7	Very high	97.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-49.6	171.6	-70.7	0	0	0	0	111.1	S161 S293 F294 E295 K299 M300 E301	S161-C297 WeakPolarHBondContact OG-CB 3.46Å; S161-C297 PolarHBondContact OG-SG 3.3Å; S161-C297 VanDerWaalsContact OG-SG 3.39Å; S293-C297 PolarHBondContact O-N 2.91Å; S293-C297 PolarHBondContact O-SG 3Å; F294-C297 VanDerWaalsContact O-CB 3.31Å; F294-C297 WeakPolarHBondContact O-CB 3.41Å; F294-C297 PolarHBondContact O-N 2.92Å; E295-C297 VanDerWaalsContact C-N 3.35Å; C297-K299 VanDerWaalsContact C-N 3.33Å; C297-K299 PolarHBondContact O-N 2.87Å; C297-M300 WeakPolarHBondContact O-CB 3.17Å; C297-M300 PolarHBondContact O-N 3.45Å; C297-M300 VanDerWaalsContact O-N 3.16Å; C297-E301 WeakPolarHBondContact O-CB 3.34Å; C297-E301 WeakPolarHBondContact O-CG 3.36Å; C297-E301 PolarHBondContact O-N 3.41Å
298	M	98.7	Very high	97.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.4	-40.9	179.7	-68.7	-57.8	92.3	0	0	112.3	N105 F294 E295 E301 Y302 L357 F359	N105-M298 HydrophobicContact CB-SD 4.17Å; F294-M298 HydrophobicContact CD1-CG 3.86Å; F294-M298 HydrophobicContact CE1-CE 4.05Å; F294-M298 HydrophobicContact CE1-CG 3.37Å; F294-M298 HydrophobicContact CE1-SD 3.72Å; F294-M298 HydrophobicContact CE2-CE 3.87Å; F294-M298 HydrophobicContact CE2-SD 4.49Å; F294-M298 HydrophobicContact CZ-CE 3.59Å; F294-M298 HydrophobicContact CZ-CG 3.9Å; F294-M298 HydrophobicContact CZ-SD 3.64Å; F294-M298 WeakPolarHBondContact O-CG 3.35Å; F294-M298 PolarHBondContact O-N 3.49Å; E295-M298 PolarHBondContact O-N 3.24Å; M298-E301 WeakPolarHBondContact CE-OE2 3.25Å; M298-E301 PolarHBondContact O-N 3.27Å; M298-Y302 WeakPolarHBondContact O-CB 3.25Å; M298-Y302 PolarHBondContact O-N 3.23Å; M298-L357 HydrophobicContact CB-CD2 4.11Å; M298-F359 HydrophobicContact CB-CE1 4.29Å; M298-F359 HydrophobicContact CB-CE2 4.25Å; M298-F359 HydrophobicContact CB-CZ 3.46Å; M298-F359 VanDerWaalsContact CB-CZ 3.46Å; M298-F359 HydrophobicContact CG-CE1 4.49Å; M298-F359 HydrophobicContact CG-CZ 4.04Å
299	K	98.5	Very high	97.4	Very high	65 Å²	65	37.5 Å²	37.5	28%	0.283	18%	0.178	S	C	.	.	H	α-helix	trans	-63.8	-43.4	175.2	-75.7	170.5	-179.3	172.1	0	111.8	E295 E296 C297 Y302 R303 L357 F359	E295-K299 WeakPolarHBondContact O-CG 3.18Å; E295-K299 PolarHBondContact O-N 2.97Å; E296-K299 PolarHBondContact O-N 2.65Å; C297-K299 VanDerWaalsContact C-N 3.33Å; C297-K299 PolarHBondContact O-N 2.87Å; K299-Y302 PolarHBondContact O-N 3.49Å; K299-R303 WeakPolarHBondContact O-CG 3.39Å; K299-R303 PolarHBondContact O-N 3.06Å; K299-R303 VanDerWaalsContact O-N 3.11Å; K299-L357 VanDerWaalsContact CE-O 3.22Å; K299-L357 WeakPolarHBondContact CE-O 3.34Å; K299-L357 HydrophobicContact CG-CB 4.29Å; K299-F359 HydrophobicContact CD-CE2 4.42Å; K299-F359 HydrophobicContact CG-CE2 4.02Å
300	M	98.6	Very high	97	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.039	20%	0.201	C	C	.	.	H	α-helix	trans	-60.6	-52	174.6	178.8	-179.6	62.4	0	0	111	S161 Q285 L288 M292 E296 C297 Y302 R303 L304 F348	S161-M300 VanDerWaalsContact OG-CE 3.29Å; S161-M300 WeakPolarHBondContact OG-CE 3.41Å; Q285-M300 HydrophobicContact CB-CE 3.81Å; Q285-M300 HydrophobicContact CB-SD 4.24Å; L288-M300 HydrophobicContact CB-CE 4.46Å; L288-M300 HydrophobicContact CB-SD 3.89Å; L288-M300 HydrophobicContact CD1-SD 3.85Å; M292-M300 HydrophobicContact CE-SD 4.29Å; M292-M300 HydrophobicContact SD-CE 4.16Å; M292-M300 HydrophobicContact SD-SD 4.1Å; E296-M300 WeakPolarHBondContact O-CB 3.42Å; E296-M300 PolarHBondContact O-N 2.87Å; C297-M300 WeakPolarHBondContact O-CB 3.17Å; C297-M300 PolarHBondContact O-N 3.45Å; C297-M300 VanDerWaalsContact O-N 3.16Å; M300-Y302 PolarHBondContact O-N 2.91Å; M300-R303 WeakPolarHBondContact O-CB 3.31Å; M300-R303 PolarHBondContact O-N 2.73Å; M300-R303 VanDerWaalsContact O-N 3.14Å; M300-L304 HydrophobicContact CG-CD1 4.34Å; M300-L304 WeakPolarHBondContact O-CG 3.46Å; M300-L304 PolarHBondContact O-N 2.91Å; M300-F348 HydrophobicContact CG-CD1 3.9Å; M300-F348 HydrophobicContact CG-CE1 4.22Å; M300-F348 HydrophobicContact SD-CD1 3.85Å; M300-F348 HydrophobicContact SD-CE1 3.86Å
301	E	98.7	Very high	96.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.3	-36	177.9	-70.4	-178.9	-170.6	0	0	111.7	Y102 F155 V158 G159 G160 S161 C297 M298 L304 S305	Y102-E301 HydrophobicContact CE2-CB 4.1Å; F155-E301 HydrophobicContact CE2-CB 4Å; F155-E301 HydrophobicContact CE2-CG 4.06Å; F155-E301 VanDerWaalsContact CZ-O 3.3Å; F155-E301 WeakPolarHBondContact CZ-O 3.17Å; V158-E301 PolarHBondContact N-OE2 2.71Å; G159-E301 VanDerWaalsContact C-OE1 3.31Å; G159-E301 VanDerWaalsContact CA-OE1 3.27Å; G159-E301 WeakPolarHBondContact CA-OE1 3.2Å; G159-E301 PolarHBondContact N-OE1 2.89Å; G159-E301 PolarHBondContact N-OE2 2.97Å; G160-E301 PolarHBondContact N-OE1 2.84Å; S161-E301 WeakPolarHBondContact CB-OE1 3.35Å; S161-E301 PolarHBondContact N-OE1 3Å; S161-E301 PolarHBondContact OG-OE1 2.94Å; S161-E301 VanDerWaalsContact OG-OE1 3.09Å; C297-E301 WeakPolarHBondContact O-CB 3.34Å; C297-E301 WeakPolarHBondContact O-CG 3.36Å; C297-E301 PolarHBondContact O-N 3.41Å; M298-E301 WeakPolarHBondContact CE-OE2 3.25Å; M298-E301 PolarHBondContact O-N 3.27Å; E301-L304 PolarHBondContact O-N 2.77Å; E301-S305 WeakPolarHBondContact O-CB 3.38Å; E301-S305 PolarHBondContact O-N 3.49Å; E301-S305 PolarHBondContact O-OG 3.47Å
302	Y	98.4	Very high	96.5	Very high	8 Å²	8	38.2 Å²	38.2	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-49.8	173.1	-169.9	-111.8	0	0	0	112.3	F98 Q99 Y102 M298 K299 M300 L304 S305 Q306 L351 K355 L357	F98-Y302 HydrophobicContact CB-CD2 4.34Å; F98-Y302 HydrophobicContact CB-CE2 4.33Å; Q99-Y302 HydrophobicContact CB-CE2 3.78Å; Y102-Y302 AromaticContact CD2-CD2 4Å; Y102-Y302 HydrophobicContact CD2-CD2 4Å; Y102-Y302 HydrophobicContact CD2-CG 4.45Å; Y102-Y302 HydrophobicContact CE2-CD2 4.24Å; M298-Y302 WeakPolarHBondContact O-CB 3.25Å; M298-Y302 PolarHBondContact O-N 3.23Å; K299-Y302 PolarHBondContact O-N 3.49Å; M300-Y302 PolarHBondContact O-N 2.91Å; Y302-L304 VanDerWaalsContact C-N 3.27Å; Y302-L304 PolarHBondContact O-N 3.39Å; Y302-S305 PolarHBondContact O-N 2.93Å; Y302-S305 VanDerWaalsContact O-N 3.17Å; Y302-S305 PolarHBondContact O-OG 2.91Å; Y302-Q306 HydrophobicContact CD1-CG 4.36Å; Y302-Q306 HydrophobicContact CD2-CG 4.48Å; Y302-Q306 HydrophobicContact CE1-CG 4.05Å; Y302-Q306 HydrophobicContact CE2-CG 4.15Å; Y302-Q306 WeakPolarHBondContact O-CG 3.32Å; Y302-Q306 PolarHBondContact O-N 2.83Å; Y302-Q306 VanDerWaalsContact O-N 3.07Å; Y302-L351 HydrophobicContact CD1-CD1 3.96Å; Y302-L351 HydrophobicContact CE1-CD1 3.96Å; Y302-K355 VanDerWaalsContact CE1-O 3.29Å; Y302-K355 WeakPolarHBondContact CE1-O 3.5Å; Y302-L357 HydrophobicContact CD1-CB 3.62Å; Y302-L357 HydrophobicContact CE1-CB 4.22Å; Y302-L357 HydrophobicContact CG-CB 3.78Å; Y302-L357 HydrophobicContact CG-CD2 4.26Å; Y302-L357 HydrophobicContact CG-CG 4.44Å
303	R	98.2	Very high	96.4	Very high	58 Å²	58	36.1 Å²	36.1	22%	0.219	16%	0.163	C	C	.	.	H	α-helix	trans	-56.8	-41.7	175.5	-66.2	164.4	-179.1	176.3	-1	112.5	K299 M300 R307 L351 E356	K299-R303 WeakPolarHBondContact O-CG 3.39Å; K299-R303 PolarHBondContact O-N 3.06Å; K299-R303 VanDerWaalsContact O-N 3.11Å; M300-R303 WeakPolarHBondContact O-CB 3.31Å; M300-R303 PolarHBondContact O-N 2.73Å; M300-R303 VanDerWaalsContact O-N 3.14Å; R303-R307 PolarHBondContact O-N 3.43Å; R303-R307 PolarHBondContact O-NH1 3.47Å; R303-L351 HydrophobicContact CG-CD1 4.15Å; R303-L351 HydrophobicContact CG-CG 4.07Å; R303-E356 IonicContact CZ-OE1 2.77Å; R303-E356 IonicContact NE-OE1 3.16Å; R303-E356 PolarHBondContact NE-OE1 2.77Å; R303-E356 IonicContact NE-OE2 3.87Å; R303-E356 IonicContact NH2-OE1 3.79Å; R303-E356 PolarHBondContact NH2-OE1 3.32Å; R303-E356 IonicContact NH2-OE2 2.73Å
304	L	98.5	Very high	96.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63	-50.2	176.5	-65.1	178.8	0	0	0	110.6	F155 V281 Q285 M300 E301 Y302 Q306 R307 M308 F347 F348	F155-L304 HydrophobicContact CD1-CB 4.04Å; F155-L304 HydrophobicContact CD2-CB 4.42Å; F155-L304 HydrophobicContact CD2-CD1 4.06Å; F155-L304 HydrophobicContact CE1-CB 3.44Å; F155-L304 VanDerWaalsContact CE1-CB 3.44Å; F155-L304 HydrophobicContact CE2-CB 3.88Å; F155-L304 HydrophobicContact CE2-CD1 4.02Å; F155-L304 HydrophobicContact CG-CD1 4.43Å; F155-L304 HydrophobicContact CZ-CB 3.37Å; F155-L304 HydrophobicContact CZ-CD1 4.38Å; V281-L304 HydrophobicContact CG1-CD1 3.99Å; V281-L304 HydrophobicContact CG1-CD2 3.9Å; V281-L304 HydrophobicContact CG1-CG 4.46Å; Q285-L304 HydrophobicContact CB-CD1 3.97Å; Q285-L304 HydrophobicContact CG-CD1 4.42Å; M300-L304 HydrophobicContact CG-CD1 4.34Å; M300-L304 WeakPolarHBondContact O-CG 3.46Å; M300-L304 PolarHBondContact O-N 2.91Å; E301-L304 PolarHBondContact O-N 2.77Å; Y302-L304 VanDerWaalsContact C-N 3.27Å; Y302-L304 PolarHBondContact O-N 3.39Å; L304-Q306 VanDerWaalsContact C-N 3.33Å; L304-Q306 PolarHBondContact O-N 3.13Å; L304-R307 PolarHBondContact O-N 3.09Å; L304-R307 VanDerWaalsContact O-N 3.14Å; L304-M308 VanDerWaalsContact O-CB 3.26Å; L304-M308 WeakPolarHBondContact O-CB 3.34Å; L304-M308 VanDerWaalsContact O-CG 3.25Å; L304-M308 WeakPolarHBondContact O-CG 3.34Å; L304-M308 PolarHBondContact O-N 2.97Å; L304-F347 HydrophobicContact CD2-CB 3.68Å; L304-F348 HydrophobicContact CD1-CE1 3.92Å; L304-F348 HydrophobicContact CD1-CZ 4.2Å; L304-F348 HydrophobicContact CD2-CD1 3.93Å; L304-F348 HydrophobicContact CD2-CD2 3.94Å; L304-F348 HydrophobicContact CD2-CE1 3.83Å; L304-F348 HydrophobicContact CD2-CE2 3.82Å; L304-F348 HydrophobicContact CD2-CG 3.99Å; L304-F348 HydrophobicContact CD2-CZ 3.76Å; L304-F348 HydrophobicContact CG-CD1 4.5Å; L304-F348 HydrophobicContact CG-CE1 4.32Å
305	S	96.5	Very high	96	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56.6	-45.4	-179.2	67.8	0	0	0	0	112.3	Y102 E301 Y302 R307 M308 I309	Y102-S305 WeakPolarHBondContact OH-CB 3.42Å; E301-S305 WeakPolarHBondContact O-CB 3.38Å; E301-S305 PolarHBondContact O-N 3.49Å; E301-S305 PolarHBondContact O-OG 3.47Å; Y302-S305 PolarHBondContact O-N 2.93Å; Y302-S305 VanDerWaalsContact O-N 3.17Å; Y302-S305 PolarHBondContact O-OG 2.91Å; S305-R307 PolarHBondContact O-N 2.93Å; S305-M308 PolarHBondContact O-N 3.39Å; S305-I309 VanDerWaalsContact O-CB 3.3Å; S305-I309 WeakPolarHBondContact O-CB 3.42Å; S305-I309 VanDerWaalsContact O-CG2 3.22Å; S305-I309 WeakPolarHBondContact O-CG2 3.42Å; S305-I309 PolarHBondContact O-N 3.44Å
306	Q	94.4	Very high	95.9	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.028	14%	0.136	C	C	.	.	H	α-helix	trans	-66.1	-23.4	-177.4	-61.1	-37.6	-52.1	0	0	113.8	Y302 L304 R310 L351	Y302-Q306 HydrophobicContact CD1-CG 4.36Å; Y302-Q306 HydrophobicContact CD2-CG 4.48Å; Y302-Q306 HydrophobicContact CE1-CG 4.05Å; Y302-Q306 HydrophobicContact CE2-CG 4.15Å; Y302-Q306 WeakPolarHBondContact O-CG 3.32Å; Y302-Q306 PolarHBondContact O-N 2.83Å; Y302-Q306 VanDerWaalsContact O-N 3.07Å; L304-Q306 VanDerWaalsContact C-N 3.33Å; L304-Q306 PolarHBondContact O-N 3.13Å; Q306-R310 VanDerWaalsContact O-CD 3.32Å; Q306-R310 WeakPolarHBondContact O-CD 3.29Å; Q306-R310 WeakPolarHBondContact O-CG 3.44Å; Q306-R310 PolarHBondContact O-NE 2.97Å; Q306-L351 HydrophobicContact CB-CD1 4.38Å; Q306-L351 HydrophobicContact CG-CD1 4.08Å
307	R	94.9	Very high	95.8	Very high	52 Å²	52	27 Å²	27	20%	0.196	11%	0.113	C	C	.	.	H	α-helix	trans	-98.6	-40.5	179.1	-70.7	179.1	177.5	98	-8.2	112.4	R303 L304 S305 R310 Q311 N346 F347 A349 P350	R303-R307 PolarHBondContact O-N 3.43Å; R303-R307 PolarHBondContact O-NH1 3.47Å; L304-R307 PolarHBondContact O-N 3.09Å; L304-R307 VanDerWaalsContact O-N 3.14Å; S305-R307 PolarHBondContact O-N 2.93Å; R307-R310 PolarHBondContact O-N 3.36Å; R307-Q311 WeakPolarHBondContact O-CG 3.2Å; R307-Q311 PolarHBondContact O-NE2 2.83Å; R307-Q311 VanDerWaalsContact O-NE2 3.15Å; R307-N346 WeakPolarHBondContact CD-O 3.42Å; R307-N346 PolarHBondContact NE-O 2.92Å; R307-F347 HydrophobicContact CB-CD1 3.55Å; R307-F347 HydrophobicContact CB-CE1 3.93Å; R307-F347 PolarHBondContact NH1-O 2.89Å; R307-A349 VanDerWaalsContact CZ-O 3.3Å; R307-A349 PolarHBondContact NH1-O 3.06Å; R307-A349 PolarHBondContact NH2-O 3.47Å; R307-P350 PolarHBondContact NH2-O 3.46Å
308	M	94.5	Very high	95.6	Very high	1 Å²	1	27 Å²	27	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-65.7	-39.7	179.2	-72.6	-72	-66.5	0	0	111.7	G153 F154 F155 T277 V281 L304 S305 R310 Q311 F347	G153-M308 VanDerWaalsContact O-CE 3.26Å; G153-M308 WeakPolarHBondContact O-CE 3.38Å; F154-M308 HydrophobicContact CD2-CB 3.89Å; F154-M308 HydrophobicContact CE2-CB 3.9Å; F155-M308 HydrophobicContact CD1-CB 4.29Å; F155-M308 HydrophobicContact CD1-CG 3.87Å; F155-M308 HydrophobicContact CE1-CB 4.23Å; F155-M308 HydrophobicContact CE1-CG 4.07Å; T277-M308 HydrophobicContact CG2-SD 4.37Å; V281-M308 HydrophobicContact CG2-SD 4.1Å; L304-M308 VanDerWaalsContact O-CB 3.26Å; L304-M308 WeakPolarHBondContact O-CB 3.34Å; L304-M308 VanDerWaalsContact O-CG 3.25Å; L304-M308 WeakPolarHBondContact O-CG 3.34Å; L304-M308 PolarHBondContact O-N 2.97Å; S305-M308 PolarHBondContact O-N 3.39Å; M308-R310 PolarHBondContact O-N 2.94Å; M308-Q311 WeakPolarHBondContact O-CB 3.43Å; M308-Q311 PolarHBondContact O-N 3.15Å; M308-F347 HydrophobicContact CG-CD1 3.92Å; M308-F347 HydrophobicContact CG-CE1 3.96Å; M308-F347 HydrophobicContact SD-CD1 3.85Å; M308-F347 HydrophobicContact SD-CE1 3.54Å; M308-F347 VanDerWaalsContact SD-CE1 3.54Å; M308-F347 HydrophobicContact SD-CZ 3.96Å
309	I	91.8	Very high	95.3	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.015	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-14	176.7	-157.9	72	0	0	0	113.1	T94 F98 S305 F314 Y315	T94-I309 HydrophobicContact CG2-CG1 4.24Å; F98-I309 HydrophobicContact CE2-CB 4.38Å; F98-I309 HydrophobicContact CE2-CD1 3.96Å; F98-I309 HydrophobicContact CE2-CG1 4.15Å; F98-I309 HydrophobicContact CZ-CD1 4.11Å; S305-I309 VanDerWaalsContact O-CB 3.3Å; S305-I309 WeakPolarHBondContact O-CB 3.42Å; S305-I309 VanDerWaalsContact O-CG2 3.22Å; S305-I309 WeakPolarHBondContact O-CG2 3.42Å; S305-I309 PolarHBondContact O-N 3.44Å; I309-F314 HydrophobicContact CD1-CD1 3.59Å; I309-F314 HydrophobicContact CD1-CD2 4.05Å; I309-F314 HydrophobicContact CD1-CE1 3.19Å; I309-F314 HydrophobicContact CD1-CE2 3.67Å; I309-F314 HydrophobicContact CD1-CG 3.99Å; I309-F314 HydrophobicContact CD1-CZ 3.2Å; I309-F314 HydrophobicContact CG1-CD1 4.45Å; I309-F314 HydrophobicContact CG1-CE1 4.32Å; I309-Y315 WeakPolarHBondContact O-CE2 3.21Å; I309-Y315 VanDerWaalsContact O-CZ 3.24Å; I309-Y315 PolarHBondContact O-OH 3.44Å
310	R	89.7	Confident	95.2	Very high	128 Å²	128	26.5 Å²	26.5	48%	0.483	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-3.1	177.6	-57.6	178.1	-174	-177.9	1	112.5	E95 Q306 R307 M308	E95-R310 IonicContact OE1-NH2 3.5Å; E95-R310 PolarHBondContact OE1-NH2 3.16Å; E95-R310 VanDerWaalsContact OE1-NH2 3.1Å; Q306-R310 VanDerWaalsContact O-CD 3.32Å; Q306-R310 WeakPolarHBondContact O-CD 3.29Å; Q306-R310 WeakPolarHBondContact O-CG 3.44Å; Q306-R310 PolarHBondContact O-NE 2.97Å; R307-R310 PolarHBondContact O-N 3.36Å; M308-R310 PolarHBondContact O-N 2.94Å
311	Q	91.6	Very high	95	Very high	80 Å²	80	29.1 Å²	29.1	37%	0.374	13%	0.126	S	C	.	.	S	Bend	trans	-85.6	152.6	-179.3	-58.1	-53.9	-47.3	0	0	111.3	R307 M308 D313 F314 Y315 F347	R307-Q311 WeakPolarHBondContact O-CG 3.2Å; R307-Q311 PolarHBondContact O-NE2 2.83Å; R307-Q311 VanDerWaalsContact O-NE2 3.15Å; M308-Q311 WeakPolarHBondContact O-CB 3.43Å; M308-Q311 PolarHBondContact O-N 3.15Å; Q311-D313 VanDerWaalsContact C-N 3.29Å; Q311-D313 PolarHBondContact O-N 2.92Å; Q311-F314 PolarHBondContact O-N 3.25Å; Q311-Y315 WeakPolarHBondContact O-CD2 3.37Å; Q311-F347 HydrophobicContact CG-CE1 3.72Å; Q311-F347 HydrophobicContact CG-CZ 3.73Å
312	H	93.7	Very high	94.7	Very high	93 Å²	93	31.6 Å²	31.6	43%	0.431	14%	0.139	S	C	.	.	H	α-helix	trans	-51.1	-48.1	171.5	169.4	-85.4	0	0	0	112.4	F314 Y315 E316 K330	H312-F314 VanDerWaalsContact C-N 3.27Å; H312-F314 PolarHBondContact O-N 3.47Å; H312-Y315 PolarHBondContact O-N 2.92Å; H312-Y315 VanDerWaalsContact O-N 3.14Å; H312-E316 PolarHBondContact O-N 2.76Å; H312-K330 PolarHBondContact CE1-O 3.31Å
313	D	95.9	Very high	94.3	Very high	4 Å²	4	35 Å²	35	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-34.4	-172.2	-79.5	8.7	0	0	0	113.1	S275 Q311 Y315 E316 G317 W331 S332	S275-D313 WeakPolarHBondContact CB-OD2 3.46Å; S275-D313 PolarHBondContact OG-OD2 3.33Å; Q311-D313 VanDerWaalsContact C-N 3.29Å; Q311-D313 PolarHBondContact O-N 2.92Å; D313-Y315 PolarHBondContact O-N 3.2Å; D313-E316 PolarHBondContact O-N 2.83Å; D313-G317 PolarHBondContact O-N 2.86Å; D313-W331 HydrophobicContact CB-CE3 3.96Å; D313-W331 HydrophobicContact CB-CZ3 4.2Å; D313-W331 WeakPolarHBondContact O-CZ3 3.39Å; D313-S332 PolarHBondContact OD1-N 3.18Å
314	F	94.9	Very high	94.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.3	-49	177.6	178.5	-99.1	0	0	0	111.7	I75 I152 F154 I309 Q311 H312 G317 V318	I75-F314 HydrophobicContact CG2-CE1 4.44Å; I75-F314 HydrophobicContact CG2-CE2 4.13Å; I75-F314 HydrophobicContact CG2-CZ 3.6Å; I152-F314 HydrophobicContact CD1-CE2 4.45Å; I152-F314 WeakPolarHBondContact O-CA 3.46Å; F154-F314 HydrophobicContact CB-CD2 4.03Å; F154-F314 HydrophobicContact CB-CE2 4.33Å; F154-F314 AromaticContact CD2-CD2 3.87Å; F154-F314 HydrophobicContact CD2-CD2 3.87Å; F154-F314 HydrophobicContact CD2-CE2 4.14Å; F154-F314 HydrophobicContact CG-CD2 4.22Å; F154-F314 HydrophobicContact CG-CE2 4.3Å; I309-F314 HydrophobicContact CD1-CD1 3.59Å; I309-F314 HydrophobicContact CD1-CD2 4.05Å; I309-F314 HydrophobicContact CD1-CE1 3.19Å; I309-F314 HydrophobicContact CD1-CE2 3.67Å; I309-F314 HydrophobicContact CD1-CG 3.99Å; I309-F314 HydrophobicContact CD1-CZ 3.2Å; I309-F314 HydrophobicContact CG1-CD1 4.45Å; I309-F314 HydrophobicContact CG1-CE1 4.32Å; Q311-F314 PolarHBondContact O-N 3.25Å; H312-F314 VanDerWaalsContact C-N 3.27Å; H312-F314 PolarHBondContact O-N 3.47Å; F314-G317 PolarHBondContact O-N 3.01Å; F314-V318 HydrophobicContact CE1-CG2 4.2Å; F314-V318 HydrophobicContact CE2-CG2 4.28Å; F314-V318 HydrophobicContact CZ-CG2 4.09Å; F314-V318 VanDerWaalsContact O-CG2 3.25Å; F314-V318 WeakPolarHBondContact O-CG2 3.28Å; F314-V318 PolarHBondContact O-N 3.36Å
315	Y	93.8	Very high	93.8	Very high	40 Å²	40	43.5 Å²	43.5	16%	0.157	20%	0.2	C	C	.	.	H	α-helix	trans	-71.4	-39.9	-178.3	-61.1	-71.9	0	0	0	112.3	A79 H82 I309 Q311 H312 D313 G317 V318 R319	A79-Y315 HydrophobicContact CB-CD1 4.36Å; H82-Y315 HydrophobicContact CB-CD1 3.73Å; H82-Y315 HydrophobicContact CB-CD2 4.44Å; H82-Y315 HydrophobicContact CB-CE1 2.99Å; H82-Y315 HydrophobicContact CB-CE2 3.82Å; H82-Y315 HydrophobicContact CB-CG 4.41Å; H82-Y315 WeakPolarHBondContact CB-OH 3.36Å; H82-Y315 AromaticContact CD2-CD2 3.84Å; H82-Y315 AromaticContact CD2-CE2 3.2Å; H82-Y315 WeakPolarHBondContact CD2-CE2 3.49Å; H82-Y315 AromaticContact CD2-CZ 3.39Å; H82-Y315 AromaticContact CG-CE1 3.66Å; H82-Y315 AromaticContact CG-CE2 3.49Å; H82-Y315 VanDerWaalsContact CG-CE2 3.49Å; H82-Y315 AromaticContact CG-CZ 3.1Å; H82-Y315 AromaticContact ND1-CZ 3.58Å; H82-Y315 PolarHBondContact ND1-OH 3.32Å; H82-Y315 AromaticContact NE2-CE2 3.66Å; I309-Y315 WeakPolarHBondContact O-CE2 3.21Å; I309-Y315 VanDerWaalsContact O-CZ 3.24Å; I309-Y315 PolarHBondContact O-OH 3.44Å; Q311-Y315 WeakPolarHBondContact O-CD2 3.37Å; H312-Y315 PolarHBondContact O-N 2.92Å; H312-Y315 VanDerWaalsContact O-N 3.14Å; D313-Y315 PolarHBondContact O-N 3.2Å; Y315-G317 VanDerWaalsContact C-N 3.33Å; Y315-G317 PolarHBondContact O-N 3.48Å; Y315-V318 PolarHBondContact O-N 3.04Å; Y315-R319 VanDerWaalsContact O-CB 3.31Å; Y315-R319 WeakPolarHBondContact O-CB 3.49Å; Y315-R319 PolarHBondContact O-N 3.29Å
316	E	95.3	Very high	93.8	Very high	21 Å²	21	47 Å²	47	10%	0.098	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-40.4	176.9	176.9	55.5	-163.9	0	0	111.8	H312 D313 R319 S320 P329 K330 W331	H312-E316 PolarHBondContact O-N 2.76Å; D313-E316 PolarHBondContact O-N 2.83Å; E316-R319 WeakPolarHBondContact O-CB 3.34Å; E316-R319 PolarHBondContact O-N 3.36Å; E316-R319 IonicContact OE1-CZ 3.73Å; E316-R319 IonicContact OE1-NE 3.44Å; E316-R319 PolarHBondContact OE1-NE 3.27Å; E316-R319 IonicContact OE1-NH2 3.25Å; E316-R319 PolarHBondContact OE1-NH2 2.77Å; E316-R319 IonicContact OE2-CZ 3.96Å; E316-R319 IonicContact OE2-NE 3.75Å; E316-R319 PolarHBondContact OE2-NE 2.74Å; E316-R319 IonicContact OE2-NH2 3.46Å; E316-S320 WeakPolarHBondContact O-CB 3.15Å; E316-S320 PolarHBondContact O-N 3.29Å; E316-P329 HydrophobicContact CG-CB 4.31Å; E316-P329 WeakPolarHBondContact OE1-CA 3.45Å; E316-K330 HydrophobicContact CG-CB 4.31Å; E316-K330 PolarHBondContact OE1-N 3.01Å; E316-W331 HydrophobicContact CG-CE3 4.44Å
317	G	96.2	Very high	93.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.3	-44.1	176.4	0	0	0	0	0	112.6	D313 F314 Y315 R319 S320 V321 W331	D313-G317 PolarHBondContact O-N 2.86Å; F314-G317 PolarHBondContact O-N 3.01Å; Y315-G317 VanDerWaalsContact C-N 3.33Å; Y315-G317 PolarHBondContact O-N 3.48Å; G317-R319 VanDerWaalsContact C-N 3.33Å; G317-R319 PolarHBondContact O-N 2.76Å; G317-S320 PolarHBondContact O-N 3.44Å; G317-V321 WeakPolarHBondContact O-CB 3.17Å; G317-V321 WeakPolarHBondContact O-CG2 3.25Å; G317-V321 PolarHBondContact O-N 2.75Å; G317-W331 VanDerWaalsContact CA-CH2 3.44Å
318	V	94	Very high	93.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-41.7	174.4	173.4	0	0	0	0	111.3	I75 A79 I152 F314 Y315 L322 I323	I75-V318 HydrophobicContact CG2-CG1 4.34Å; I75-V318 HydrophobicContact CG2-CG2 3.43Å; I75-V318 VanDerWaalsContact CG2-CG2 3.43Å; A79-V318 HydrophobicContact CB-CB 4.04Å; A79-V318 HydrophobicContact CB-CG1 3.38Å; A79-V318 HydrophobicContact CB-CG2 4.49Å; I152-V318 HydrophobicContact CB-CG2 4.3Å; F314-V318 HydrophobicContact CE1-CG2 4.2Å; F314-V318 HydrophobicContact CE2-CG2 4.28Å; F314-V318 HydrophobicContact CZ-CG2 4.09Å; F314-V318 VanDerWaalsContact O-CG2 3.25Å; F314-V318 WeakPolarHBondContact O-CG2 3.28Å; F314-V318 PolarHBondContact O-N 3.36Å; Y315-V318 PolarHBondContact O-N 3.04Å; V318-L322 HydrophobicContact CG1-CB 4.31Å; V318-L322 HydrophobicContact CG1-CD1 4.16Å; V318-L322 WeakPolarHBondContact O-CA 3.27Å; V318-L322 WeakPolarHBondContact O-CB 3.32Å; V318-L322 PolarHBondContact O-N 2.87Å; V318-I323 HydrophobicContact CG1-CD1 4.32Å; V318-I323 HydrophobicContact CG1-CG1 4.41Å; V318-I323 PolarHBondContact O-N 2.92Å
319	R	94.3	Very high	93.8	Very high	54 Å²	54	54 Å²	54	20%	0.204	27%	0.267	C	S	.	.	I	π-helix	trans	-56	-57.2	173.6	-177.3	-156	66.4	72.7	2.4	110.6	Y315 E316 G317 V321 I323 D324 D326 E328	Y315-R319 VanDerWaalsContact O-CB 3.31Å; Y315-R319 WeakPolarHBondContact O-CB 3.49Å; Y315-R319 PolarHBondContact O-N 3.29Å; E316-R319 WeakPolarHBondContact O-CB 3.34Å; E316-R319 PolarHBondContact O-N 3.36Å; E316-R319 IonicContact OE1-CZ 3.73Å; E316-R319 IonicContact OE1-NE 3.44Å; E316-R319 PolarHBondContact OE1-NE 3.27Å; E316-R319 IonicContact OE1-NH2 3.25Å; E316-R319 PolarHBondContact OE1-NH2 2.77Å; E316-R319 IonicContact OE2-CZ 3.96Å; E316-R319 IonicContact OE2-NE 3.75Å; E316-R319 PolarHBondContact OE2-NE 2.74Å; E316-R319 IonicContact OE2-NH2 3.46Å; G317-R319 VanDerWaalsContact C-N 3.33Å; G317-R319 PolarHBondContact O-N 2.76Å; R319-V321 PolarHBondContact O-N 2.83Å; R319-I323 PolarHBondContact O-N 2.82Å; R319-D324 WeakPolarHBondContact CD-OD2 3.3Å; R319-D324 HydrophobicContact CG-CB 4.5Å; R319-D324 WeakPolarHBondContact CG-OD2 3.33Å; R319-D324 IonicContact CZ-OD2 2.75Å; R319-D324 IonicContact NE-OD2 2.89Å; R319-D324 IonicContact NH1-OD2 2.68Å; R319-D324 PolarHBondContact NH1-OD2 3.31Å; R319-D324 PolarHBondContact O-N 2.69Å; R319-D326 IonicContact CZ-OD2 3.27Å; R319-D326 IonicContact NH1-OD1 2.72Å; R319-D326 IonicContact NH1-OD2 3.24Å; R319-D326 PolarHBondContact NH1-OD2 3.25Å; R319-D326 IonicContact NH2-OD1 2.73Å; R319-D326 IonicContact NH2-OD2 3.92Å; R319-D326 PolarHBondContact NH2-OD2 3.41Å; R319-E328 PolarHBondContact NH2-O 2.98Å
320	S	95.5	Very high	94.1	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.007	30%	0.299	C	S	.	.	I	π-helix	trans	-62.9	-39.6	-174.6	-178.6	0	0	0	0	113.3	E316 G317 K325 D326 G327 E328 P329	E316-S320 WeakPolarHBondContact O-CB 3.15Å; E316-S320 PolarHBondContact O-N 3.29Å; G317-S320 PolarHBondContact O-N 3.44Å; S320-K325 CarbonylContact O-C 3.52Å; S320-K325 WeakPolarHBondContact O-CA 3.34Å; S320-K325 PolarHBondContact O-N 3.17Å; S320-D326 VanDerWaalsContact CA-OD1 3.32Å; S320-D326 WeakPolarHBondContact CA-OD1 3.31Å; S320-D326 WeakPolarHBondContact CB-OD1 3.38Å; S320-D326 PolarHBondContact O-N 2.86Å; S320-D326 PolarHBondContact OG-OD1 3.07Å; S320-G327 PolarHBondContact O-N 3.23Å; S320-G327 WeakPolarHBondContact OG-CA 3.22Å; S320-G327 PolarHBondContact OG-N 3.32Å; S320-E328 PolarHBondContact OG-N 2.81Å; S320-P329 WeakPolarHBondContact OG-CD 3.36Å
321	V	94.9	Very high	94.5	Very high	63 Å²	63	56.5 Å²	56.5	38%	0.382	28%	0.281	S	S	.	.	I	π-helix	trans	-91.1	-37.6	-173.7	177.4	0	0	0	0	113.2	A151 I152 G317 R319	A151-V321 WeakPolarHBondContact O-CG2 3.43Å; I152-V321 HydrophobicContact CG2-CB 4.04Å; I152-V321 HydrophobicContact CG2-CG1 4.26Å; I152-V321 HydrophobicContact CG2-CG2 4.14Å; G317-V321 WeakPolarHBondContact O-CB 3.17Å; G317-V321 WeakPolarHBondContact O-CG2 3.25Å; G317-V321 PolarHBondContact O-N 2.75Å; R319-V321 PolarHBondContact O-N 2.83Å
322	L	91.2	Very high	94.7	Very high	52 Å²	52	56.4 Å²	56.4	27%	0.272	29%	0.289	S	S	.	.	I	π-helix	trans	-113.3	-29.1	-166.5	-61.8	177.7	0	0	0	114.6	I75 R76 V318	I75-L322 HydrophobicContact CB-CD1 4.38Å; I75-L322 HydrophobicContact CG2-CD1 4.47Å; R76-L322 HydrophobicContact CG-CB 4.34Å; R76-L322 HydrophobicContact CG-CD1 4.47Å; R76-L322 PolarHBondContact NE-O 2.71Å; R76-L322 PolarHBondContact NH2-O 2.99Å; V318-L322 HydrophobicContact CG1-CB 4.31Å; V318-L322 HydrophobicContact CG1-CD1 4.16Å; V318-L322 WeakPolarHBondContact O-CA 3.27Å; V318-L322 WeakPolarHBondContact O-CB 3.32Å; V318-L322 PolarHBondContact O-N 2.87Å
323	I	90.7	Very high	94.9	Very high	80 Å²	80	53.5 Å²	53.5	41%	0.41	28%	0.278	S	S	.	.	I	π-helix	trans	-97.6	-71.4	-176.2	-54.5	179	0	0	0	109.9	V318 R319	V318-I323 HydrophobicContact CG1-CD1 4.32Å; V318-I323 HydrophobicContact CG1-CG1 4.41Å; V318-I323 PolarHBondContact O-N 2.92Å; R319-I323 PolarHBondContact O-N 2.82Å
324	D	92.9	Very high	94.9	Very high	94 Å²	94	57 Å²	57	50%	0.503	30%	0.303	S	S	.	.	S	Bend	trans	-80.7	-27.7	-176	-65.1	-12.1	0	0	0	111.5	R319 D326	R319-D324 WeakPolarHBondContact CD-OD2 3.3Å; R319-D324 HydrophobicContact CG-CB 4.5Å; R319-D324 WeakPolarHBondContact CG-OD2 3.33Å; R319-D324 IonicContact CZ-OD2 2.75Å; R319-D324 IonicContact NE-OD2 2.89Å; R319-D324 IonicContact NH1-OD2 2.68Å; R319-D324 PolarHBondContact NH1-OD2 3.31Å; R319-D324 PolarHBondContact O-N 2.69Å; D324-D326 PolarHBondContact O-N 3.21Å
325	K	93.6	Very high	95	Very high	142 Å²	142	64.9 Å²	64.9	62%	0.617	33%	0.333	S	S	*	.			trans	55.6	33.3	179	-56.6	178.7	-178.3	173.2	0	113.1	S320	S320-K325 CarbonylContact O-C 3.52Å; S320-K325 WeakPolarHBondContact O-CA 3.34Å; S320-K325 PolarHBondContact O-N 3.17Å
326	D	95.6	Very high	95.1	Very high	72 Å²	72	63.8 Å²	63.8	39%	0.385	33%	0.329	S	S	.	.			trans	-79.8	-25.2	179.5	60.8	12.3	0	0	0	112.7	R319 S320 D324 E328	R319-D326 IonicContact CZ-OD2 3.27Å; R319-D326 IonicContact NH1-OD1 2.72Å; R319-D326 IonicContact NH1-OD2 3.24Å; R319-D326 PolarHBondContact NH1-OD2 3.25Å; R319-D326 IonicContact NH2-OD1 2.73Å; R319-D326 IonicContact NH2-OD2 3.92Å; R319-D326 PolarHBondContact NH2-OD2 3.41Å; S320-D326 VanDerWaalsContact CA-OD1 3.32Å; S320-D326 WeakPolarHBondContact CA-OD1 3.31Å; S320-D326 WeakPolarHBondContact CB-OD1 3.38Å; S320-D326 PolarHBondContact O-N 2.86Å; S320-D326 PolarHBondContact OG-OD1 3.07Å; D324-D326 PolarHBondContact O-N 3.21Å; D326-E328 PolarHBondContact O-N 2.73Å; D326-E328 PolarHBondContact OD1-N 3.1Å
327	G	92.8	Very high	95.2	Very high	40 Å²	40	68.9 Å²	68.9	41%	0.412	35%	0.353	S	S	.	.	S	Bend	trans	69.6	15	-174.3	0	0	0	0	0	114.6	S320 P329	S320-G327 PolarHBondContact O-N 3.23Å; S320-G327 WeakPolarHBondContact OG-CA 3.22Å; S320-G327 PolarHBondContact OG-N 3.32Å; G327-P329 VanDerWaalsContact O-CD 3.25Å; G327-P329 WeakPolarHBondContact O-CD 3.37Å
328	E	95.1	Very high	95.3	Very high	135 Å²	135	73.9 Å²	73.9	63%	0.631	38%	0.377	S	S	*	.			trans	-119	68.8	-176.4	-62.5	-61.7	139.1	0	0	111.7	R319 S320 D326	R319-E328 PolarHBondContact NH2-O 2.98Å; S320-E328 PolarHBondContact OG-N 2.81Å; D326-E328 PolarHBondContact O-N 2.73Å; D326-E328 PolarHBondContact OD1-N 3.1Å
329	P	96.6	Very high	95.4	Very high	31 Å²	31	74.4 Å²	74.4	20%	0.201	38%	0.38	C	S	.	.			trans	-73.5	140.3	179.7	31.3	-35.9	0	0	0	112.1	E316 S320 G327 W331	E316-P329 HydrophobicContact CG-CB 4.31Å; E316-P329 WeakPolarHBondContact OE1-CA 3.45Å; S320-P329 WeakPolarHBondContact OG-CD 3.36Å; G327-P329 VanDerWaalsContact O-CD 3.25Å; G327-P329 WeakPolarHBondContact O-CD 3.37Å; P329-W331 HydrophobicContact CB-CD2 3.85Å; P329-W331 VanDerWaalsContact CB-CE2 3.44Å; P329-W331 HydrophobicContact CB-CE3 4.06Å; P329-W331 HydrophobicContact CB-CH2 3.59Å; P329-W331 HydrophobicContact CB-CZ2 3.34Å; P329-W331 HydrophobicContact CB-CZ3 3.93Å; P329-W331 HydrophobicContact CG-CD2 4.17Å; P329-W331 HydrophobicContact CG-CH2 4.01Å; P329-W331 HydrophobicContact CG-CZ2 3.25Å; P329-W331 PolarHBondContact O-N 2.98Å
330	K	97.6	Very high	95.3	Very high	161 Å²	161	75.4 Å²	75.4	70%	0.7	39%	0.389	S	S	*	.			trans	-98.5	69.6	177.6	-63.7	179.2	-177.3	172.9	0	111.6	H312 E316	H312-K330 PolarHBondContact CE1-O 3.31Å; E316-K330 HydrophobicContact CG-CB 4.31Å; E316-K330 PolarHBondContact OE1-N 3.01Å
331	W	98	Very high	95.3	Very high	24 Å²	24	80.3 Å²	80.3	9%	0.091	41%	0.412	C	S	.	.			trans	-57.1	142.2	-177.4	-51.8	128.1	0	0	0	113.7	A151 K273 M274 D313 E316 G317 P329 P333 S334	A151-W331 WeakPolarHBondContact O-CH2 3.12Å; K273-W331 PolarHBondContact O-NE1 3.09Å; M274-W331 VanDerWaalsContact C-NE1 3.34Å; M274-W331 PolarHBondContact O-NE1 2.93Å; D313-W331 HydrophobicContact CB-CE3 3.96Å; D313-W331 HydrophobicContact CB-CZ3 4.2Å; D313-W331 WeakPolarHBondContact O-CZ3 3.39Å; E316-W331 HydrophobicContact CG-CE3 4.44Å; G317-W331 VanDerWaalsContact CA-CH2 3.44Å; P329-W331 HydrophobicContact CB-CD2 3.85Å; P329-W331 VanDerWaalsContact CB-CE2 3.44Å; P329-W331 HydrophobicContact CB-CE3 4.06Å; P329-W331 HydrophobicContact CB-CH2 3.59Å; P329-W331 HydrophobicContact CB-CZ2 3.34Å; P329-W331 HydrophobicContact CB-CZ3 3.93Å; P329-W331 HydrophobicContact CG-CD2 4.17Å; P329-W331 HydrophobicContact CG-CH2 4.01Å; P329-W331 HydrophobicContact CG-CZ2 3.25Å; P329-W331 PolarHBondContact O-N 2.98Å; W331-P333 CarbonylContact C-O 3.59Å; W331-P333 CarbonylContact O-C 3.41Å; W331-S334 WeakPolarHBondContact O-CA 3.48Å; W331-S334 PolarHBondContact O-N 3.31Å
332	S	96.3	Very high	95.3	Very high	77 Å²	77	84 Å²	84	54%	0.538	43%	0.425	S	S	.	.	S	Bend	trans	-131.4	105.2	175.7	179.8	0	0	0	0	110.4	D313	D313-S332 PolarHBondContact OD1-N 3.18Å
333	P	97.2	Very high	95.4	Very high	32 Å²	32	84 Å²	84	21%	0.208	43%	0.429	C	S	.	.	S	Bend	cis	-73.7	157.8	2	30.8	-36.8	0	0	0	113.9	P276 W331 Q338 V339	P276-P333 WeakPolarHBondContact CD-O 3.31Å; P276-P333 WeakPolarHBondContact CG-O 3.47Å; W331-P333 CarbonylContact C-O 3.59Å; W331-P333 CarbonylContact O-C 3.41Å; P333-Q338 HydrophobicContact CB-CB 3.47Å; P333-Q338 VanDerWaalsContact CB-CB 3.47Å; P333-Q338 HydrophobicContact CG-CB 4.17Å; P333-V339 HydrophobicContact CG-CB 4.29Å; P333-V339 HydrophobicContact CG-CG2 3.44Å; P333-V339 VanDerWaalsContact CG-CG2 3.44Å
334	S	96.6	Very high	95.7	Very high	78 Å²	78	81.2 Å²	81.2	55%	0.545	42%	0.415	S	S	.	.			trans	-83.8	-13	-177.7	65.3	0	0	0	0	114.8	W331 Q338	W331-S334 WeakPolarHBondContact O-CA 3.48Å; W331-S334 PolarHBondContact O-N 3.31Å; S334-Q338 PolarHBondContact OG-OE1 3.47Å
335	R	96.8	Very high	96	Very high	165 Å²	165	80.6 Å²	80.6	62%	0.623	41%	0.412	S	S	*	.	S	Bend	trans	-132.3	152.1	-177.1	-57.9	-176.9	-178.3	179.6	-0.5	111.4	E337 Q338	R335-E337 VanDerWaalsContact C-N 3.32Å; R335-E337 WeakPolarHBondContact CB-OE2 3.41Å; R335-E337 PolarHBondContact O-N 2.74Å; R335-Q338 HydrophobicContact CB-CG 4.2Å; R335-Q338 PolarHBondContact O-N 2.74Å
336	L	97.1	Very high	96.1	Very high	17 Å²	17	77.7 Å²	77.7	9%	0.089	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-60.1	-42.7	-179.6	-72.1	170.1	0	0	0	111.7	M249 M253 P276 L279 K280 Q338 V339	M249-L336 HydrophobicContact CB-CD1 4.16Å; M249-L336 HydrophobicContact CB-CD2 4Å; M249-L336 HydrophobicContact CG-CD2 4.5Å; M253-L336 HydrophobicContact CE-CD1 4.48Å; M253-L336 HydrophobicContact CG-CD1 3.6Å; M253-L336 HydrophobicContact SD-CD1 4.5Å; P276-L336 HydrophobicContact CB-CD2 3.97Å; P276-L336 HydrophobicContact CB-CG 4.41Å; L279-L336 HydrophobicContact CB-CD2 4.29Å; L279-L336 HydrophobicContact CD1-CD2 4.22Å; K280-L336 WeakPolarHBondContact CE-O 3.47Å; K280-L336 HydrophobicContact CG-CD2 4.14Å; K280-L336 PolarHBondContact NZ-O 3.1Å; L336-Q338 PolarHBondContact O-N 3.28Å; L336-Q338 VanDerWaalsContact O-N 3.12Å; L336-V339 PolarHBondContact O-N 3.26Å
337	E	96.5	Very high	96.2	Very high	128 Å²	128	75 Å²	75	60%	0.598	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-65.9	-18.8	-175.6	-55.4	75.9	-163.4	0	0	112.7	R335	R335-E337 VanDerWaalsContact C-N 3.32Å; R335-E337 WeakPolarHBondContact CB-OE2 3.41Å; R335-E337 PolarHBondContact O-N 2.74Å
338	Q	97.2	Very high	96.5	Very high	106 Å²	106	74 Å²	74	50%	0.495	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-87.8	-11.8	179.2	-66.3	179.1	-50.3	0	0	113.1	P333 S334 R335 L336 D340	P333-Q338 HydrophobicContact CB-CB 3.47Å; P333-Q338 VanDerWaalsContact CB-CB 3.47Å; P333-Q338 HydrophobicContact CG-CB 4.17Å; S334-Q338 PolarHBondContact OG-OE1 3.47Å; R335-Q338 HydrophobicContact CB-CG 4.2Å; R335-Q338 PolarHBondContact O-N 2.74Å; L336-Q338 PolarHBondContact O-N 3.28Å; L336-Q338 VanDerWaalsContact O-N 3.12Å; Q338-D340 PolarHBondContact O-N 2.94Å
339	V	97.1	Very high	96.6	Very high	10 Å²	10	69.1 Å²	69.1	6%	0.061	36%	0.355	C	S	.	.	S	Bend	trans	-78.5	105.6	172.1	-176.8	0	0	0	0	107.8	P276 K280 P333 L336	P276-V339 HydrophobicContact CB-CG2 3.9Å; K280-V339 HydrophobicContact CD-CB 3.82Å; K280-V339 HydrophobicContact CD-CG1 3.88Å; K280-V339 HydrophobicContact CD-CG2 4.39Å; K280-V339 PolarHBondContact NZ-O 3.1Å; P333-V339 HydrophobicContact CG-CB 4.29Å; P333-V339 HydrophobicContact CG-CG2 3.44Å; P333-V339 VanDerWaalsContact CG-CG2 3.44Å; L336-V339 PolarHBondContact O-N 3.26Å
340	D	93.2	Very high	96.7	Very high	76 Å²	76	71.9 Å²	71.9	41%	0.406	37%	0.373	S	S	.	.			trans	-71.4	146.4	-179.1	69.7	97	0	0	0	112	Q338 E342 S343 L344	Q338-D340 PolarHBondContact O-N 2.94Å; D340-E342 VanDerWaalsContact C-N 3.29Å; D340-E342 PolarHBondContact O-N 3.34Å; D340-E342 PolarHBondContact OD1-N 2.92Å; D340-S343 WeakPolarHBondContact OD1-CB 3.22Å; D340-S343 PolarHBondContact OD1-N 3.23Å; D340-S343 PolarHBondContact OD1-OG 3.11Å; D340-S343 WeakPolarHBondContact OD2-CB 3.33Å; D340-S343 PolarHBondContact OD2-OG 2.87Å; D340-L344 WeakPolarHBondContact O-CB 3.4Å; D340-L344 PolarHBondContact O-N 2.75Å
341	E	94.4	Very high	96.6	Very high	104 Å²	104	65.5 Å²	65.5	49%	0.486	35%	0.346	S	S	.	.	H	α-helix	trans	-67.4	-30.1	-175.2	-67.9	-171.8	172.2	0	0	112.5	R248 L344 N345	R248-E341 IonicContact CZ-OE1 2.93Å; R248-E341 VanDerWaalsContact CZ-OE1 3.27Å; R248-E341 IonicContact NH1-OE1 3.1Å; R248-E341 PolarHBondContact NH1-OE1 2.94Å; R248-E341 IonicContact NH2-OE1 3.36Å; R248-E341 PolarHBondContact NH2-OE1 2.96Å; E341-L344 PolarHBondContact O-N 2.84Å; E341-N345 WeakPolarHBondContact O-CB 3.26Å; E341-N345 PolarHBondContact O-N 3.02Å; E341-N345 PolarHBondContact O-ND2 3.06Å; E341-N345 VanDerWaalsContact O-ND2 3.1Å
342	E	95.9	Very high	96.4	Very high	141 Å²	141	67.4 Å²	67.4	66%	0.659	36%	0.362	S	S	*	.	H	α-helix	trans	-67.7	-51.5	179.3	-173.1	-179.7	169.5	0	0	111.2	D340 L344 N345 N346	D340-E342 VanDerWaalsContact C-N 3.29Å; D340-E342 PolarHBondContact O-N 3.34Å; D340-E342 PolarHBondContact OD1-N 2.92Å; E342-L344 VanDerWaalsContact C-N 3.29Å; E342-L344 PolarHBondContact O-N 2.67Å; E342-N345 WeakPolarHBondContact O-CB 3.31Å; E342-N345 PolarHBondContact O-N 2.73Å; E342-N345 VanDerWaalsContact O-N 3.09Å; E342-N346 WeakPolarHBondContact O-CB 3.33Å; E342-N346 VanDerWaalsContact O-CG 3.24Å; E342-N346 PolarHBondContact O-N 3.34Å; E342-N346 PolarHBondContact O-ND2 3Å
343	S	92.9	Very high	96.3	Very high	51 Å²	51	68.4 Å²	68.4	36%	0.357	37%	0.366	S	S	.	.	H	α-helix	trans	-59	-41.8	173.8	-63.4	0	0	0	0	111.3	D340 N345 N346 F347	D340-S343 WeakPolarHBondContact OD1-CB 3.22Å; D340-S343 PolarHBondContact OD1-N 3.23Å; D340-S343 PolarHBondContact OD1-OG 3.11Å; D340-S343 WeakPolarHBondContact OD2-CB 3.33Å; D340-S343 PolarHBondContact OD2-OG 2.87Å; S343-N345 VanDerWaalsContact C-N 3.33Å; S343-N345 PolarHBondContact O-N 3.05Å; S343-N346 PolarHBondContact O-N 2.67Å; S343-F347 WeakPolarHBondContact O-CD2 3.11Å; S343-F347 PolarHBondContact O-N 3.16Å
344	L	97.4	Very high	96	Very high	21 Å²	21	74.1 Å²	74.1	11%	0.11	39%	0.39	C	S	.	.	H	α-helix	trans	-58.7	-45.4	173.8	-179.9	62.6	0	0	0	111.5	K280 V281 K284 D340 E341 E342 N346 F347 F348	K280-L344 HydrophobicContact CB-CD1 3.92Å; K280-L344 HydrophobicContact CB-CD2 4.03Å; K280-L344 HydrophobicContact CD-CD2 4.28Å; V281-L344 HydrophobicContact CB-CD1 4.45Å; V281-L344 HydrophobicContact CG2-CD1 3.66Å; K284-L344 HydrophobicContact CD-CD2 4.37Å; K284-L344 HydrophobicContact CD-CG 4.31Å; D340-L344 WeakPolarHBondContact O-CB 3.4Å; D340-L344 PolarHBondContact O-N 2.75Å; E341-L344 PolarHBondContact O-N 2.84Å; E342-L344 VanDerWaalsContact C-N 3.29Å; E342-L344 PolarHBondContact O-N 2.67Å; L344-N346 VanDerWaalsContact C-N 3.34Å; L344-F347 PolarHBondContact O-N 3.29Å; L344-F348 HydrophobicContact CD1-CE2 4.25Å; L344-F348 VanDerWaalsContact O-CD2 3.25Å; L344-F348 WeakPolarHBondContact O-CD2 3.3Å
345	N	97.5	Very high	95.9	Very high	81 Å²	81	74.5 Å²	74.5	43%	0.433	38%	0.382	S	S	.	.	H	α-helix	trans	-66	-36.6	178.2	-70.6	-27.3	0	0	0	112.2	K284 E341 E342 S343 F347 F348 A349	K284-N345 PolarHBondContact NZ-OD1 3.01Å; E341-N345 WeakPolarHBondContact O-CB 3.26Å; E341-N345 PolarHBondContact O-N 3.02Å; E341-N345 PolarHBondContact O-ND2 3.06Å; E341-N345 VanDerWaalsContact O-ND2 3.1Å; E342-N345 WeakPolarHBondContact O-CB 3.31Å; E342-N345 PolarHBondContact O-N 2.73Å; E342-N345 VanDerWaalsContact O-N 3.09Å; S343-N345 VanDerWaalsContact C-N 3.33Å; S343-N345 PolarHBondContact O-N 3.05Å; N345-F347 PolarHBondContact O-N 2.97Å; N345-F348 PolarHBondContact O-N 3.32Å; N345-A349 PolarHBondContact O-N 2.79Å
346	N	97	Very high	95.8	Very high	82 Å²	82	67.5 Å²	67.5	44%	0.439	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-28.3	179.1	-75.3	-26.9	0	0	0	113.2	R307 E342 S343 L344 F348 A349	R307-N346 WeakPolarHBondContact CD-O 3.42Å; R307-N346 PolarHBondContact NE-O 2.92Å; E342-N346 WeakPolarHBondContact O-CB 3.33Å; E342-N346 VanDerWaalsContact O-CG 3.24Å; E342-N346 PolarHBondContact O-N 3.34Å; E342-N346 PolarHBondContact O-ND2 3Å; S343-N346 PolarHBondContact O-N 2.67Å; L344-N346 VanDerWaalsContact C-N 3.34Å; N346-F348 VanDerWaalsContact C-N 3.25Å; N346-F348 PolarHBondContact O-N 3.27Å; N346-A349 PolarHBondContact O-N 3.26Å
347	F	97.8	Very high	95.8	Very high	14 Å²	14	66.7 Å²	66.7	6%	0.061	35%	0.352	C	S	.	.	H	α-helix	trans	-58.9	-37.2	171.9	-75	-74.2	0	0	0	112.8	T277 V281 L304 R307 M308 Q311 S343 L344 N345	T277-F347 HydrophobicContact CG2-CE2 3.83Å; T277-F347 HydrophobicContact CG2-CZ 4.02Å; V281-F347 HydrophobicContact CG2-CD2 4.04Å; V281-F347 HydrophobicContact CG2-CG 4.26Å; L304-F347 HydrophobicContact CD2-CB 3.68Å; R307-F347 HydrophobicContact CB-CD1 3.55Å; R307-F347 HydrophobicContact CB-CE1 3.93Å; R307-F347 PolarHBondContact NH1-O 2.89Å; M308-F347 HydrophobicContact CG-CD1 3.92Å; M308-F347 HydrophobicContact CG-CE1 3.96Å; M308-F347 HydrophobicContact SD-CD1 3.85Å; M308-F347 HydrophobicContact SD-CE1 3.54Å; M308-F347 VanDerWaalsContact SD-CE1 3.54Å; M308-F347 HydrophobicContact SD-CZ 3.96Å; Q311-F347 HydrophobicContact CG-CE1 3.72Å; Q311-F347 HydrophobicContact CG-CZ 3.73Å; S343-F347 WeakPolarHBondContact O-CD2 3.11Å; S343-F347 PolarHBondContact O-N 3.16Å; L344-F347 PolarHBondContact O-N 3.29Å; N345-F347 PolarHBondContact O-N 2.97Å
348	F	98.4	Very high	95.8	Very high	21 Å²	21	66.7 Å²	66.7	9%	0.092	35%	0.35	C	S	.	.	H	α-helix	trans	-90.7	-10.5	-174.9	-65.1	-98.3	0	0	0	113.4	V281 K284 Q285 L288 M300 L304 L344 N345 N346	V281-F348 HydrophobicContact CG1-CE2 4.43Å; V281-F348 HydrophobicContact CG1-CZ 4.16Å; V281-F348 HydrophobicContact CG2-CE2 4.48Å; K284-F348 HydrophobicContact CB-CE2 4.25Å; K284-F348 HydrophobicContact CB-CZ 3.82Å; K284-F348 HydrophobicContact CD-CD2 4.01Å; K284-F348 HydrophobicContact CD-CE1 4.48Å; K284-F348 HydrophobicContact CD-CE2 3.62Å; K284-F348 HydrophobicContact CD-CZ 3.89Å; K284-F348 HydrophobicContact CG-CE1 4.18Å; K284-F348 HydrophobicContact CG-CE2 4.06Å; K284-F348 HydrophobicContact CG-CZ 3.77Å; Q285-F348 HydrophobicContact CB-CE1 3.88Å; Q285-F348 HydrophobicContact CB-CZ 4.23Å; L288-F348 HydrophobicContact CD1-CD1 3.78Å; L288-F348 HydrophobicContact CD1-CE1 3.92Å; M300-F348 HydrophobicContact CG-CD1 3.9Å; M300-F348 HydrophobicContact CG-CE1 4.22Å; M300-F348 HydrophobicContact SD-CD1 3.85Å; M300-F348 HydrophobicContact SD-CE1 3.86Å; L304-F348 HydrophobicContact CD1-CE1 3.92Å; L304-F348 HydrophobicContact CD1-CZ 4.2Å; L304-F348 HydrophobicContact CD2-CD1 3.93Å; L304-F348 HydrophobicContact CD2-CD2 3.94Å; L304-F348 HydrophobicContact CD2-CE1 3.83Å; L304-F348 HydrophobicContact CD2-CE2 3.82Å; L304-F348 HydrophobicContact CD2-CG 3.99Å; L304-F348 HydrophobicContact CD2-CZ 3.76Å; L304-F348 HydrophobicContact CG-CD1 4.5Å; L304-F348 HydrophobicContact CG-CE1 4.32Å; L344-F348 HydrophobicContact CD1-CE2 4.25Å; L344-F348 VanDerWaalsContact O-CD2 3.25Å; L344-F348 WeakPolarHBondContact O-CD2 3.3Å; N345-F348 PolarHBondContact O-N 3.32Å; N346-F348 VanDerWaalsContact C-N 3.25Å; N346-F348 PolarHBondContact O-N 3.27Å
349	A	97.9	Very high	95.5	Very high	31 Å²	31	63.1 Å²	63.1	26%	0.256	33%	0.333	S	S	.	.	S	Bend	trans	-59.9	146.4	-178.3	0	0	0	0	0	111.2	R307 N345 N346	R307-A349 VanDerWaalsContact CZ-O 3.3Å; R307-A349 PolarHBondContact NH1-O 3.06Å; R307-A349 PolarHBondContact NH2-O 3.47Å; N345-A349 PolarHBondContact O-N 2.79Å; N346-A349 PolarHBondContact O-N 3.26Å
350	P	97.2	Very high	94.8	Very high	89 Å²	89	72.2 Å²	72.2	58%	0.578	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-50.2	149	173.3	-26.6	35	0	0	0	112.8	R307	R307-P350 PolarHBondContact NH2-O 3.46Å
351	L	95.7	Very high	94.8	Very high	28 Å²	28	72 Å²	72	15%	0.147	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-86.7	163.2	166.9	-69.7	168.6	0	0	0	109.4	Y302 R303 Q306 K355 E356	Y302-L351 HydrophobicContact CD1-CD1 3.96Å; Y302-L351 HydrophobicContact CE1-CD1 3.96Å; R303-L351 HydrophobicContact CG-CD1 4.15Å; R303-L351 HydrophobicContact CG-CG 4.07Å; Q306-L351 HydrophobicContact CB-CD1 4.38Å; Q306-L351 HydrophobicContact CG-CD1 4.08Å; L351-K355 HydrophobicContact CB-CB 4.18Å; L351-K355 WeakPolarHBondContact CD1-O 3.33Å; L351-E356 HydrophobicContact CB-CG 4.06Å; L351-E356 PolarHBondContact N-OE1 2.78Å
352	P	94.5	Very high	94.8	Very high	64 Å²	64	70.3 Å²	70.3	42%	0.416	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-50.6	142.7	166.3	-26.7	35.5	0	0	0	110.8	E354 K355 E356	P352-E354 WeakPolarHBondContact CB-OE1 3.47Å; P352-E354 WeakPolarHBondContact CB-OE2 3.36Å; P352-E354 PolarHBondContact O-N 3.43Å; P352-E354 VanDerWaalsContact O-N 3.1Å; P352-K355 HydrophobicContact CB-CB 4.44Å; P352-K355 CarbonylContact O-C 3.52Å; P352-K355 WeakPolarHBondContact O-CA 3.47Å; P352-K355 WeakPolarHBondContact O-CB 3.22Å; P352-K355 PolarHBondContact O-N 3.25Å; P352-E356 PolarHBondContact O-N 2.68Å
353	P	93.3	Very high	94.8	Very high	97 Å²	97	66.4 Å²	66.4	63%	0.63	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-52.1	-37.2	-174	-29.2	35.9	0	0	0	114.5	K355 E356 F358	P353-K355 PolarHBondContact O-N 3.09Å; P353-E356 PolarHBondContact O-N 3.14Å; P353-F358 WeakPolarHBondContact O-CE2 3.38Å; P353-F358 WeakPolarHBondContact O-CZ 3.36Å
354	E	92.9	Very high	94.9	Very high	152 Å²	152	67.3 Å²	67.3	71%	0.71	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-73	-10.8	178	70.5	-79.1	-172.9	0	0	114.4	P352	P352-E354 WeakPolarHBondContact CB-OE1 3.47Å; P352-E354 WeakPolarHBondContact CB-OE2 3.36Å; P352-E354 PolarHBondContact O-N 3.43Å; P352-E354 VanDerWaalsContact O-N 3.1Å
355	K	93.1	Very high	94.7	Very high	87 Å²	87	70.2 Å²	70.2	38%	0.378	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-110.8	0.3	178.5	-70.8	-66.4	-172.5	173.7	0	112.8	E95 Y302 L351 P352 P353	E95-K355 IonicContact OE1-NZ 2.65Å; E95-K355 IonicContact OE2-NZ 2.93Å; E95-K355 PolarHBondContact OE2-NZ 2.82Å; Y302-K355 VanDerWaalsContact CE1-O 3.29Å; Y302-K355 WeakPolarHBondContact CE1-O 3.5Å; L351-K355 HydrophobicContact CB-CB 4.18Å; L351-K355 WeakPolarHBondContact CD1-O 3.33Å; P352-K355 HydrophobicContact CB-CB 4.44Å; P352-K355 CarbonylContact O-C 3.52Å; P352-K355 WeakPolarHBondContact O-CA 3.47Å; P352-K355 WeakPolarHBondContact O-CB 3.22Å; P352-K355 PolarHBondContact O-N 3.25Å; P353-K355 PolarHBondContact O-N 3.09Å
356	E	96	Very high	94.6	Very high	17 Å²	17	69.5 Å²	69.5	8%	0.079	37%	0.371	C	S	.	.	S	Bend	trans	-76.6	159.4	178.7	-85.6	-69.3	-175.3	0	0	113.1	R303 L351 P352 P353 F358	R303-E356 IonicContact CZ-OE1 2.77Å; R303-E356 IonicContact NE-OE1 3.16Å; R303-E356 PolarHBondContact NE-OE1 2.77Å; R303-E356 IonicContact NE-OE2 3.87Å; R303-E356 IonicContact NH2-OE1 3.79Å; R303-E356 PolarHBondContact NH2-OE1 3.32Å; R303-E356 IonicContact NH2-OE2 2.73Å; L351-E356 HydrophobicContact CB-CG 4.06Å; L351-E356 PolarHBondContact N-OE1 2.78Å; P352-E356 PolarHBondContact O-N 2.68Å; P353-E356 PolarHBondContact O-N 3.14Å; E356-F358 HydrophobicContact CB-CD2 4.43Å; E356-F358 HydrophobicContact CB-CE2 3.66Å; E356-F358 HydrophobicContact CB-CZ 3.77Å; E356-F358 VanDerWaalsContact O-CD2 3.27Å; E356-F358 WeakPolarHBondContact O-CD2 3.47Å; E356-F358 WeakPolarHBondContact O-CE2 3.44Å
357	L	96.9	Very high	94.4	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.005	37%	0.366	C	S	.	.			trans	-82.6	124.1	171.7	-173.4	65.7	0	0	0	109.9	Q99 Y102 L103 M298 K299 Y302 F359	Q99-L357 HydrophobicContact CG-CD1 3.8Å; Y102-L357 HydrophobicContact CD2-CD2 4.4Å; L103-L357 HydrophobicContact CD2-CD1 4.31Å; L103-L357 HydrophobicContact CG-CD1 4.2Å; M298-L357 HydrophobicContact CB-CD2 4.11Å; K299-L357 VanDerWaalsContact CE-O 3.22Å; K299-L357 WeakPolarHBondContact CE-O 3.34Å; K299-L357 HydrophobicContact CG-CB 4.29Å; Y302-L357 HydrophobicContact CD1-CB 3.62Å; Y302-L357 HydrophobicContact CE1-CB 4.22Å; Y302-L357 HydrophobicContact CG-CB 3.78Å; Y302-L357 HydrophobicContact CG-CD2 4.26Å; Y302-L357 HydrophobicContact CG-CG 4.44Å; L357-F359 HydrophobicContact CD2-CE1 3.96Å; L357-F359 HydrophobicContact CD2-CE2 4.39Å; L357-F359 HydrophobicContact CD2-CZ 3.49Å; L357-F359 VanDerWaalsContact CD2-CZ 3.49Å; L357-F359 HydrophobicContact CG-CE1 4.21Å; L357-F359 HydrophobicContact CG-CE2 4.5Å; L357-F359 HydrophobicContact CG-CZ 3.88Å
358	F	94.9	Very high	94.1	Very high	127 Å²	127	72.8 Å²	72.8	56%	0.557	39%	0.389	S	S	*	.			trans	-118.2	145.2	175	-61.4	-84.9	0	0	0	110.1	L103 P353 E356	L103-F358 WeakPolarHBondContact CD2-O 3.49Å; P353-F358 WeakPolarHBondContact O-CE2 3.38Å; P353-F358 WeakPolarHBondContact O-CZ 3.36Å; E356-F358 HydrophobicContact CB-CD2 4.43Å; E356-F358 HydrophobicContact CB-CE2 3.66Å; E356-F358 HydrophobicContact CB-CZ 3.77Å; E356-F358 VanDerWaalsContact O-CD2 3.27Å; E356-F358 WeakPolarHBondContact O-CD2 3.47Å; E356-F358 WeakPolarHBondContact O-CE2 3.44Å
359	F	92.7	Very high	93.8	Very high	32 Å²	32	77.1 Å²	77.1	14%	0.14	41%	0.414	C	S	.	.			trans	-105.8	142.9	172.1	-55.4	-72.7	0	0	0	108.3	L103 N106 E295 M298 K299 L357	L103-F359 HydrophobicContact CD2-CD1 3.78Å; L103-F359 HydrophobicContact CD2-CE1 4.07Å; N106-F359 HydrophobicContact CB-CD1 3.76Å; N106-F359 HydrophobicContact CB-CE1 3.6Å; N106-F359 VanDerWaalsContact ND2-CD1 3.31Å; N106-F359 WeakPolarHBondContact ND2-CD1 3.29Å; E295-F359 HydrophobicContact CB-CD2 3.75Å; E295-F359 HydrophobicContact CB-CE2 3.6Å; E295-F359 HydrophobicContact CB-CZ 4.49Å; E295-F359 HydrophobicContact CG-CD2 3.6Å; E295-F359 HydrophobicContact CG-CE2 3.81Å; E295-F359 HydrophobicContact CG-CG 4.16Å; M298-F359 HydrophobicContact CB-CE1 4.29Å; M298-F359 HydrophobicContact CB-CE2 4.25Å; M298-F359 HydrophobicContact CB-CZ 3.46Å; M298-F359 VanDerWaalsContact CB-CZ 3.46Å; M298-F359 HydrophobicContact CG-CE1 4.49Å; M298-F359 HydrophobicContact CG-CZ 4.04Å; K299-F359 HydrophobicContact CD-CE2 4.42Å; K299-F359 HydrophobicContact CG-CE2 4.02Å; L357-F359 HydrophobicContact CD2-CE1 3.96Å; L357-F359 HydrophobicContact CD2-CE2 4.39Å; L357-F359 HydrophobicContact CD2-CZ 3.49Å; L357-F359 VanDerWaalsContact CD2-CZ 3.49Å; L357-F359 HydrophobicContact CG-CE1 4.21Å; L357-F359 HydrophobicContact CG-CE2 4.5Å; L357-F359 HydrophobicContact CG-CZ 3.88Å
360	D	80.4	Confident	93.4	Very high	200 Å²	200	81.3 Å²	81.3	100%	1.07	43%	0.428	S	S	*	.			trans	-66.5	0	179.6	-66.6	-34.5	0	0	0	112.6	K48	K48-D360 IonicContact NZ-OD2 2.73Å; K48-D360 PolarHBondContact NZ-OD2 2.87Å

Retrieved 360 of 360 residues in 478.6 ms (Link to these results)

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