A0A077Z609_TRITR Loading...

Moesin/ezrin/radixin homolog 1

AlphaFold DB , UniProt , Accession A0A077Z609, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 724 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	32.3	Very low	30.7	Very low	219 Å²	219	137.8 Å²	137.8	100%	1.079	79%	0.791	S	S	*	*				0	96.5	0	-80.1	-169.2	175.1	0	0	105.9
2	D	29.1	Very low	31.4	Very low	143 Å²	143	139.1 Å²	139.1	77%	0.765	78%	0.78	S	S	*	*			trans	-112.5	132.5	-132.6	-51.1	-66.9	0	0	0	109.2	V4	D2-V4 VanDerWaalsContact C-N 3.31Å; D2-V4 PolarHBondContact O-N 3.09Å
3	C	30.6	Very low	32	Very low	101 Å²	101	136.3 Å²	136.3	68%	0.682	77%	0.768	S	S	*	*			trans	-73	86	-171	-63.1	0	0	0	0	110.3	A5	C3-A5 PolarHBondContact O-N 3.42Å
4	V	33	Very low	32.8	Very low	138 Å²	138	132.9 Å²	132.9	84%	0.836	75%	0.746	S	S	*	*			trans	-61.7	107.5	165.9	-179.8	0	0	0	0	107.5	D2 A6	D2-V4 VanDerWaalsContact C-N 3.31Å; D2-V4 PolarHBondContact O-N 3.09Å; V4-A6 PolarHBondContact O-N 3.12Å
5	A	31.4	Very low	33.4	Very low	91 Å²	91	126.4 Å²	126.4	75%	0.752	71%	0.712	S	S	*	*			trans	-71.3	97.4	-180	0	0	0	0	0	110.1	C3 N7	C3-A5 PolarHBondContact O-N 3.42Å; A5-N7 PolarHBondContact O-N 3.32Å
6	A	31.7	Very low	33.8	Very low	97 Å²	97	128.1 Å²	128.1	80%	0.802	71%	0.712	S	S	*	*			trans	-65.3	102.3	168.4	0	0	0	0	0	109	V4 D8	V4-A6 PolarHBondContact O-N 3.12Å; A6-D8 VanDerWaalsContact C-N 3.32Å; A6-D8 PolarHBondContact O-N 3.01Å
7	N	28.4	Very low	34.1	Very low	139 Å²	139	123.9 Å²	123.9	74%	0.743	70%	0.704	S	S	*	*			trans	-83.4	68.5	-171.4	-173.8	29.8	0	0	0	111.6	A5	A5-N7 PolarHBondContact O-N 3.32Å
8	D	31.1	Very low	34.3	Very low	141 Å²	141	120.4 Å²	120.4	75%	0.754	69%	0.686	S	S	*	*			trans	-88.4	118.1	176.9	-169.7	6.4	0	0	0	111.6	A6 S10	A6-D8 VanDerWaalsContact C-N 3.32Å; A6-D8 PolarHBondContact O-N 3.01Å; D8-S10 PolarHBondContact O-N 2.94Å
9	R	29.4	Very low	34	Very low	224 Å²	224	117.7 Å²	117.7	85%	0.845	69%	0.687	S	S	*	*			trans	-93.8	73.3	-177.5	-79.6	-175.6	166	-173.1	-3.5	111.1
10	S	30.2	Very low	33.9	Very low	85 Å²	85	115.9 Å²	115.9	59%	0.594	69%	0.686	S	S	*	*			trans	-127.3	61.8	170.3	-159.6	0	0	0	0	111.7	D8 K12	D8-S10 PolarHBondContact O-N 2.94Å; S10-K12 PolarHBondContact O-N 2.86Å
11	T	30.6	Very low	34	Very low	138 Å²	138	115 Å²	115	85%	0.847	68%	0.684	S	S	*	*			trans	-74.1	75.4	174.2	51.7	0	0	0	0	110.9
12	K	38.5	Very low	34.2	Very low	153 Å²	153	110.5 Å²	110.5	67%	0.665	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-62	137.2	159.4	-77.5	-171.8	174.2	-177.3	0	108.7	S10 I14	S10-K12 PolarHBondContact O-N 2.86Å; K12-I14 PolarHBondContact O-N 3.01Å
13	V	39.3	Very low	34.8	Very low	103 Å²	103	112.9 Å²	112.9	62%	0.624	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-72.9	116.5	-167.4	177.5	0	0	0	0	110.5	P363	V13-P363 WeakPolarHBondContact O-CG 3.29Å
14	I	43.1	Very low	35.3	Very low	89 Å²	89	111.6 Å²	111.6	46%	0.456	66%	0.663	S	S	.	*	P	Polyproline II helix	trans	-57.5	135.7	166.5	-58.9	173	0	0	0	108.1	K12 Q16 V18	K12-I14 PolarHBondContact O-N 3.01Å; I14-Q16 PolarHBondContact O-N 3.29Å; I14-Q16 VanDerWaalsContact O-N 3.16Å; I14-V18 HydrophobicContact CG2-CG2 3.89Å
15	P	42.2	Very low	35.6	Very low	35 Å²	35	112 Å²	112	23%	0.227	66%	0.661	C	S	.	*	P	Polyproline II helix	trans	-48.8	121.3	174.3	-29	35.2	0	0	0	112.5	V18 S361	P15-V18 WeakPolarHBondContact O-CG2 3.39Å; P15-S361 WeakPolarHBondContact CB-O 3.44Å
16	Q	39.8	Very low	36.2	Very low	153 Å²	153	114.7 Å²	114.7	72%	0.715	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	135.4	176.4	-69.2	-177.9	-15.4	0	0	109.6	I14	I14-Q16 PolarHBondContact O-N 3.29Å; I14-Q16 VanDerWaalsContact O-N 3.16Å
17	G	39	Very low	36.5	Very low	57 Å²	57	113.6 Å²	113.6	59%	0.588	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	138.3	-35.7	-167.9	0	0	0	0	0	111.5	G19	G17-G19 VanDerWaalsContact C-N 3.33Å; G17-G19 PolarHBondContact O-N 3.47Å
18	V	37.8	Very low	37.2	Very low	61 Å²	61	112.7 Å²	112.7	37%	0.37	64%	0.643	S	S	.	*			trans	-80.2	77.7	171.2	-79.1	0	0	0	0	112.2	I14 P15 A20 N68	I14-V18 HydrophobicContact CG2-CG2 3.89Å; P15-V18 WeakPolarHBondContact O-CG2 3.39Å; V18-A20 VanDerWaalsContact C-N 3.35Å; V18-A20 PolarHBondContact O-N 2.69Å; V18-N68 HydrophobicContact CG1-CB 4.19Å
19	G	27.8	Very low	37.9	Very low	69 Å²	69	114.3 Å²	114.3	71%	0.711	64%	0.644	S	S	*	*			trans	-65.9	92.1	159.9	0	0	0	0	0	110.2	G17 P21	G17-G19 VanDerWaalsContact C-N 3.33Å; G17-G19 PolarHBondContact O-N 3.47Å; G19-P21 WeakPolarHBondContact O-CD 3.17Å
20	A	33.4	Very low	38.8	Very low	81 Å²	81	111.1 Å²	111.1	67%	0.669	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-58.9	124.1	171.2	0	0	0	0	0	109.1	V18	V18-A20 VanDerWaalsContact C-N 3.35Å; V18-A20 PolarHBondContact O-N 2.69Å
21	P	34.7	Very low	40.2	Very low	99 Å²	99	110 Å²	110	64%	0.643	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-57.2	145.3	174	-23.3	33.6	0	0	0	110	G19 Y23	G19-P21 WeakPolarHBondContact O-CD 3.17Å; P21-Y23 PolarHBondContact O-N 3.17Å
22	P	37.9	Very low	42.7	Very low	123 Å²	123	111.5 Å²	111.5	80%	0.799	64%	0.64	S	S	*	*	S	Bend	trans	-54.2	139.4	168.2	26.1	-34.1	0	0	0	108.6	S24	P22-S24 PolarHBondContact O-N 2.85Å
23	Y	41.2	Very low	45	Very low	193 Å²	193	108.7 Å²	108.7	76%	0.757	64%	0.636	S	S	*	*			trans	-35.5	124.6	-171.9	-68	-93.4	0	0	0	112.4	P21 D25	P21-Y23 PolarHBondContact O-N 3.17Å; Y23-D25 PolarHBondContact O-N 2.89Å; Y23-D25 VanDerWaalsContact O-N 3.07Å
24	S	41.9	Very low	47.3	Very low	75 Å²	75	104.9 Å²	104.9	52%	0.524	61%	0.611	S	S	.	*			trans	-55.3	121.1	164.5	48.2	0	0	0	0	107.4	P22 Y26	P22-S24 PolarHBondContact O-N 2.85Å; S24-Y26 VanDerWaalsContact C-N 3.31Å; S24-Y26 WeakPolarHBondContact O-CD2 3.39Å; S24-Y26 PolarHBondContact O-N 3Å
25	D	37.4	Very low	49.6	Very low	147 Å²	147	103.8 Å²	103.8	79%	0.786	61%	0.611	S	S	*	*			trans	-68.4	92.2	-171.1	-176.2	13.9	0	0	0	109.5	Y23 S27	Y23-D25 PolarHBondContact O-N 2.89Å; Y23-D25 VanDerWaalsContact O-N 3.07Å; D25-S27 PolarHBondContact O-N 3.47Å
26	Y	44.3	Very low	51.9	Low	146 Å²	146	102.6 Å²	102.6	57%	0.573	60%	0.602	S	S	*	*			trans	-67.8	74	170.2	-77.1	-75.1	0	0	0	108.1	S24 S28	S24-Y26 VanDerWaalsContact C-N 3.31Å; S24-Y26 WeakPolarHBondContact O-CD2 3.39Å; S24-Y26 PolarHBondContact O-N 3Å; Y26-S28 PolarHBondContact O-N 2.84Å
27	S	38.8	Very low	54.5	Low	74 Å²	74	98.5 Å²	98.5	52%	0.517	58%	0.583	S	S	.	*			trans	-46.3	125.9	-173.6	76.2	0	0	0	0	109.2	D25 K29	D25-S27 PolarHBondContact O-N 3.47Å; S27-K29 PolarHBondContact O-N 3.45Å
28	S	42.5	Very low	57.3	Low	120 Å²	120	95.8 Å²	95.8	84%	0.839	56%	0.555	S	S	*	*			trans	-72.4	25.4	-158.5	-153.9	0	0	0	0	115.2	Y26 N30	Y26-S28 PolarHBondContact O-N 2.84Å; S28-N30 VanDerWaalsContact C-N 3.32Å; S28-N30 PolarHBondContact O-N 2.78Å
29	K	46.8	Very low	60.1	Low	176 Å²	176	94 Å²	94	77%	0.765	54%	0.543	S	S	*	.	S	Bend	trans	-80.3	73.5	178.7	-62.5	180	-180	176.8	0	110.7	S27	S27-K29 PolarHBondContact O-N 3.45Å
30	N	46.9	Very low	63.4	Low	157 Å²	157	91 Å²	91	84%	0.84	51%	0.51	S	S	*	.	S	Bend	trans	93.5	62.9	163.2	-46.3	-56.6	0	0	0	118.9	S28	S28-N30 VanDerWaalsContact C-N 3.32Å; S28-N30 PolarHBondContact O-N 2.78Å
31	G	61.1	Low	66.4	Low	62 Å²	62	87.4 Å²	87.4	64%	0.639	48%	0.48	S	S	*	.			trans	-162.1	136.9	165.9	0	0	0	0	0	116.2
32	K	82.8	Confident	69.2	Low	169 Å²	169	85.6 Å²	85.6	74%	0.735	47%	0.465	S	S	*	.			trans	-69.6	144.4	157.8	-67.1	-173.2	178	-173.7	0	108.9	H52	K32-H52 HydrophobicContact CB-CB 4.16Å; K32-H52 WeakPolarHBondContact O-CB 3.49Å; K32-H52 PolarHBondContact O-N 2.77Å
33	V	86.7	Confident	71.8	Confident	94 Å²	94	84.3 Å²	84.3	57%	0.57	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	152.3	171.8	178.6	0	0	0	0	109.6	H49 L50	V33-H49 HydrophobicContact CG1-CB 4.15Å; V33-L50 CarbonylContact C-O 3.58Å; V33-L50 WeakPolarHBondContact CA-O 3.35Å
34	M	88.1	Confident	74.4	Confident	23 Å²	23	76.9 Å²	76.9	11%	0.113	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.7	167.5	64.4	-173.1	177.9	0	0	109.5	I36 L50 G51 I95	M34-I36 HydrophobicContact CE-CD1 3.89Å; M34-I36 HydrophobicContact CG-CD1 4.3Å; M34-I36 HydrophobicContact CG-CG1 4.34Å; M34-I36 HydrophobicContact SD-CD1 4.11Å; M34-L50 HydrophobicContact CE-CB 3.77Å; M34-L50 HydrophobicContact CE-CD1 4.33Å; M34-L50 HydrophobicContact CG-CB 4.32Å; M34-L50 WeakPolarHBondContact CG-O 3.47Å; M34-L50 PolarHBondContact N-O 3.44Å; M34-L50 PolarHBondContact O-N 2.76Å; M34-G51 WeakPolarHBondContact CE-O 3.21Å; M34-I95 HydrophobicContact CE-CB 3.98Å; M34-I95 HydrophobicContact CE-CD1 3.75Å; M34-I95 HydrophobicContact CE-CG1 4.42Å; M34-I95 HydrophobicContact CE-CG2 4.45Å
35	C	89.9	Confident	76.9	Confident	66 Å²	66	77.1 Å²	77.1	45%	0.446	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.5	174.8	-49.7	0	0	0	0	108.9	V47 F48 H49	C35-V47 HydrophobicContact CB-CG1 4.26Å; C35-F48 CarbonylContact C-O 2.94Å; C35-F48 WeakPolarHBondContact CA-O 3.4Å; C35-H49 PolarHBondContact SG-CD2 2.71Å; C35-H49 PolarHBondContact SG-NE2 2.84Å; C35-H49 VanDerWaalsContact SG-NE2 3.39Å
36	I	91.8	Very high	79.7	Confident	10 Å²	10	70.8 Å²	70.8	5%	0.051	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.5	-176.9	-61.1	-171.2	0	0	0	110	M34 V38 V47 F48 L50 L59 I95 L99 L108	M34-I36 HydrophobicContact CE-CD1 3.89Å; M34-I36 HydrophobicContact CG-CD1 4.3Å; M34-I36 HydrophobicContact CG-CG1 4.34Å; M34-I36 HydrophobicContact SD-CD1 4.11Å; I36-V38 HydrophobicContact CG2-CG2 4.46Å; I36-V47 WeakPolarHBondContact O-CA 3.27Å; I36-F48 PolarHBondContact N-O 2.94Å; I36-F48 PolarHBondContact O-N 3.46Å; I36-L50 HydrophobicContact CD1-CD1 4.47Å; I36-L59 HydrophobicContact CD1-CD2 4.27Å; I36-L59 HydrophobicContact CG2-CD1 4.35Å; I36-L59 HydrophobicContact CG2-CD2 3.87Å; I36-I95 HydrophobicContact CD1-CB 4.44Å; I36-I95 HydrophobicContact CD1-CD1 4.34Å; I36-I95 HydrophobicContact CD1-CG2 3.53Å; I36-L99 HydrophobicContact CD1-CD1 4.35Å; I36-L108 HydrophobicContact CG2-CD1 3.42Å; I36-L108 VanDerWaalsContact CG2-CD1 3.42Å
37	Q	94.1	Very high	82.1	Confident	67 Å²	67	67.3 Å²	67.3	31%	0.313	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129	175.1	-70.7	177.8	-16.4	0	0	110.7	I45 V47 L108	Q37-I45 HydrophobicContact CB-CG2 4.04Å; Q37-I45 HydrophobicContact CG-CG2 4.15Å; Q37-V47 HydrophobicContact CG-CG2 4.27Å; Q37-L108 PolarHBondContact O-N 3.42Å
38	V	96.7	Very high	84.7	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.2	172	-175.1	0	0	0	0	108.5	I36 L40 I45 S46 F48 L59 V63 L77 L108 F110	I36-V38 HydrophobicContact CG2-CG2 4.46Å; V38-L40 HydrophobicContact CG1-CD2 4.22Å; V38-I45 WeakPolarHBondContact O-CA 3.25Å; V38-S46 PolarHBondContact N-O 3.22Å; V38-S46 PolarHBondContact O-N 2.82Å; V38-F48 HydrophobicContact CB-CD2 4.24Å; V38-F48 HydrophobicContact CB-CE2 3.96Å; V38-F48 HydrophobicContact CG2-CD2 3.69Å; V38-F48 HydrophobicContact CG2-CE2 3.84Å; V38-L59 HydrophobicContact CG2-CD1 4.31Å; V38-V63 HydrophobicContact CG1-CG2 4.44Å; V38-V63 HydrophobicContact CG2-CG2 4.03Å; V38-L77 HydrophobicContact CG1-CD2 3.66Å; V38-L77 HydrophobicContact CG2-CD2 4.47Å; V38-L108 CarbonylContact C-O 3.6Å; V38-L108 WeakPolarHBondContact CA-O 3.46Å; V38-L108 HydrophobicContact CG2-CB 4.25Å; V38-F110 HydrophobicContact CG1-CB 4.24Å
39	Q	96.9	Very high	87.2	Confident	23 Å²	23	62.6 Å²	62.6	11%	0.107	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	125.1	165.3	-176	167.8	-16.3	0	0	109.3	D43 T44 R107 L108 Y109 F110	Q39-D43 PolarHBondContact NE2-OD1 2.96Å; Q39-T44 CarbonylContact C-O 3.52Å; Q39-T44 WeakPolarHBondContact CA-O 3.38Å; Q39-R107 VanDerWaalsContact CD-NH2 3.28Å; Q39-L108 PolarHBondContact N-O 2.91Å; Q39-Y109 HydrophobicContact CB-CD1 3.87Å; Q39-Y109 HydrophobicContact CB-CE1 4.3Å; Q39-Y109 HydrophobicContact CG-CD1 4.24Å; Q39-Y109 WeakPolarHBondContact O-CA 3.43Å; Q39-F110 PolarHBondContact O-N 3.2Å
40	L	97.2	Very high	89.4	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.026	30%	0.302	C	S	.	.			trans	-84.9	177	176.2	-58.7	-178.2	0	0	0	110.5	V38 D42 D43 T44 S46 V63 L67 F110	V38-L40 HydrophobicContact CG1-CD2 4.22Å; L40-D42 VanDerWaalsContact C-N 3.29Å; L40-D42 WeakPolarHBondContact CB-OD1 3.45Å; L40-D42 PolarHBondContact O-N 3.15Å; L40-D43 PolarHBondContact O-N 3.09Å; L40-T44 WeakPolarHBondContact CD1-OG1 2.97Å; L40-T44 PolarHBondContact N-O 2.78Å; L40-S46 WeakPolarHBondContact CD1-OG 3.32Å; L40-V63 HydrophobicContact CD2-CG1 4.5Å; L40-L67 HydrophobicContact CD1-CD2 3.77Å; L40-L67 HydrophobicContact CD2-CD1 4.2Å; L40-L67 HydrophobicContact CD2-CD2 4.07Å; L40-L67 HydrophobicContact CD2-CG 4.4Å; L40-L67 HydrophobicContact CG-CD2 4.41Å; L40-F110 HydrophobicContact CD2-CB 4.13Å
41	L	96.4	Very high	91.5	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.031	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.3	-176.1	-80.1	165.5	0	0	0	113.6	D43 F75 F110 L130 L133 Q134	L41-D43 VanDerWaalsContact C-N 3.25Å; L41-F75 HydrophobicContact CD1-CD1 4.37Å; L41-F75 HydrophobicContact CD1-CE1 4.12Å; L41-F110 HydrophobicContact CD1-CD1 3.66Å; L41-F110 HydrophobicContact CD1-CE1 3.84Å; L41-F110 WeakPolarHBondContact CD2-O 3.42Å; L41-F110 HydrophobicContact CG-CD1 3.9Å; L41-F110 WeakPolarHBondContact CG-O 3.48Å; L41-L130 HydrophobicContact CB-CD2 4.25Å; L41-L130 HydrophobicContact CD1-CB 4.13Å; L41-L130 HydrophobicContact CD1-CD2 4.22Å; L41-L133 HydrophobicContact CB-CB 3.94Å; L41-L133 HydrophobicContact CB-CD1 4.11Å; L41-Q134 HydrophobicContact CD2-CB 4.19Å
42	D	93.7	Very high	92.8	Very high	62 Å²	62	49 Å²	49	33%	0.332	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	15.4	170	62.6	0	0	0	0	112.5	L40 T44 L133	L40-D42 VanDerWaalsContact C-N 3.29Å; L40-D42 WeakPolarHBondContact CB-OD1 3.45Å; L40-D42 PolarHBondContact O-N 3.15Å; D42-T44 PolarHBondContact O-N 3.26Å; D42-T44 VanDerWaalsContact O-N 3.12Å; D42-T44 WeakPolarHBondContact OD1-CB 3.23Å; D42-T44 WeakPolarHBondContact OD1-CG2 3.11Å; D42-T44 PolarHBondContact OD1-N 3.1Å; D42-T44 VanDerWaalsContact OD1-N 3.09Å; D42-T44 PolarHBondContact OD1-OG1 2.93Å; D42-T44 PolarHBondContact OD2-OG1 3.29Å; D42-L133 HydrophobicContact CB-CD1 4.14Å
43	D	93.4	Very high	93.2	Very high	95 Å²	95	51.8 Å²	51.8	51%	0.508	27%	0.268	S	S	.	.	S	Bend	trans	61.7	2	-174.4	-66.6	-44.5	0	0	0	116.7	Q39 L40 L41	Q39-D43 PolarHBondContact NE2-OD1 2.96Å; L40-D43 PolarHBondContact O-N 3.09Å; L41-D43 VanDerWaalsContact C-N 3.25Å
44	T	94.3	Very high	93.5	Very high	38 Å²	38	48.5 Å²	48.5	23%	0.233	25%	0.25	C	C	.	.			trans	-64.4	156.6	173.9	65.8	0	0	0	0	111.9	Q39 L40 D42	Q39-T44 CarbonylContact C-O 3.52Å; Q39-T44 WeakPolarHBondContact CA-O 3.38Å; L40-T44 WeakPolarHBondContact CD1-OG1 2.97Å; L40-T44 PolarHBondContact N-O 2.78Å; D42-T44 PolarHBondContact O-N 3.26Å; D42-T44 VanDerWaalsContact O-N 3.12Å; D42-T44 WeakPolarHBondContact OD1-CB 3.23Å; D42-T44 WeakPolarHBondContact OD1-CG2 3.11Å; D42-T44 PolarHBondContact OD1-N 3.1Å; D42-T44 VanDerWaalsContact OD1-N 3.09Å; D42-T44 PolarHBondContact OD1-OG1 2.93Å; D42-T44 PolarHBondContact OD2-OG1 3.29Å
45	I	95.5	Very high	93.8	Very high	80 Å²	80	50.3 Å²	50.3	41%	0.41	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	110.5	179.9	-51.7	177.8	0	0	0	109.6	Q37 V38 R107	Q37-I45 HydrophobicContact CB-CG2 4.04Å; Q37-I45 HydrophobicContact CG-CG2 4.15Å; V38-I45 WeakPolarHBondContact O-CA 3.25Å; I45-R107 VanDerWaalsContact CD1-NH2 3.29Å; I45-R107 VanDerWaalsContact CG1-NH2 3.26Å
46	S	95.2	Very high	94.1	Very high	13 Å²	13	47.2 Å²	47.2	9%	0.091	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	138.2	172.5	-65	0	0	0	0	110.9	V38 L40 F48 H66	V38-S46 PolarHBondContact N-O 3.22Å; V38-S46 PolarHBondContact O-N 2.82Å; L40-S46 WeakPolarHBondContact CD1-OG 3.32Å; S46-F48 VanDerWaalsContact CB-CE2 3.49Å; S46-H66 PolarHBondContact OG-NE2 3.25Å
47	V	94.8	Very high	94.2	Very high	73 Å²	73	47.9 Å²	47.9	44%	0.442	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	112.8	-177.1	-172.4	0	0	0	0	109.9	C35 I36 Q37	C35-V47 HydrophobicContact CB-CG1 4.26Å; I36-V47 WeakPolarHBondContact O-CA 3.27Å; Q37-V47 HydrophobicContact CG-CG2 4.27Å
48	F	94.7	Very high	94.4	Very high	12 Å²	12	45.8 Å²	45.8	5%	0.053	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.3	-176.1	-62.4	-75	0	0	0	111.4	C35 I36 V38 S46 L59 E62 V63 H66	C35-F48 CarbonylContact C-O 2.94Å; C35-F48 WeakPolarHBondContact CA-O 3.4Å; I36-F48 PolarHBondContact N-O 2.94Å; I36-F48 PolarHBondContact O-N 3.46Å; V38-F48 HydrophobicContact CB-CD2 4.24Å; V38-F48 HydrophobicContact CB-CE2 3.96Å; V38-F48 HydrophobicContact CG2-CD2 3.69Å; V38-F48 HydrophobicContact CG2-CE2 3.84Å; S46-F48 VanDerWaalsContact CB-CE2 3.49Å; F48-L59 HydrophobicContact CB-CD1 3.75Å; F48-L59 HydrophobicContact CD2-CD1 4.02Å; F48-L59 HydrophobicContact CG-CD1 3.99Å; F48-E62 HydrophobicContact CB-CG 4.47Å; F48-E62 HydrophobicContact CD1-CB 4.06Å; F48-E62 HydrophobicContact CD1-CG 3.4Å; F48-E62 VanDerWaalsContact CD1-CG 3.4Å; F48-E62 HydrophobicContact CE1-CB 4.48Å; F48-E62 HydrophobicContact CE1-CG 3.98Å; F48-E62 HydrophobicContact CG-CG 4.26Å; F48-V63 HydrophobicContact CD2-CG2 3.98Å; F48-V63 HydrophobicContact CE1-CG2 4.42Å; F48-V63 HydrophobicContact CE2-CG2 3.53Å; F48-V63 HydrophobicContact CZ-CB 4.39Å; F48-V63 HydrophobicContact CZ-CG2 3.76Å; F48-H66 HydrophobicContact CE1-CB 3.78Å; F48-H66 AromaticContact CE1-CG 3.99Å; F48-H66 HydrophobicContact CZ-CB 4Å; F48-H66 AromaticContact CZ-CD2 3.8Å; F48-H66 AromaticContact CZ-CG 3.94Å
49	H	93.6	Very high	94.4	Very high	83 Å²	83	45.8 Å²	45.8	38%	0.384	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116	-178.4	-67.4	88.9	0	0	0	109.4	V33 C35	V33-H49 HydrophobicContact CG1-CB 4.15Å; C35-H49 PolarHBondContact SG-CD2 2.71Å; C35-H49 PolarHBondContact SG-NE2 2.84Å; C35-H49 VanDerWaalsContact SG-NE2 3.39Å
50	L	93.3	Very high	94.4	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	154.3	-174.8	-67.9	173.9	0	0	0	110.9	V33 M34 I36 A58 L59 I95	V33-L50 CarbonylContact C-O 3.58Å; V33-L50 WeakPolarHBondContact CA-O 3.35Å; M34-L50 HydrophobicContact CE-CB 3.77Å; M34-L50 HydrophobicContact CE-CD1 4.33Å; M34-L50 HydrophobicContact CG-CB 4.32Å; M34-L50 WeakPolarHBondContact CG-O 3.47Å; M34-L50 PolarHBondContact N-O 3.44Å; M34-L50 PolarHBondContact O-N 2.76Å; I36-L50 HydrophobicContact CD1-CD1 4.47Å; L50-A58 HydrophobicContact CD2-CB 4.38Å; L50-L59 HydrophobicContact CD1-CB 3.71Å; L50-L59 HydrophobicContact CD1-CD1 3.85Å; L50-L59 HydrophobicContact CD1-CG 4.32Å; L50-I95 HydrophobicContact CD1-CD1 3.76Å
51	G	91.6	Very high	94.3	Very high	27 Å²	27	50.5 Å²	50.5	28%	0.278	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	139.9	170.2	0	0	0	0	0	111.6	M34 R53 S54	M34-G51 WeakPolarHBondContact CE-O 3.21Å; G51-R53 PolarHBondContact O-N 3.21Å; G51-S54 VanDerWaalsContact O-CB 3.27Å; G51-S54 WeakPolarHBondContact O-CB 3.2Å; G51-S54 PolarHBondContact O-N 2.77Å; G51-S54 PolarHBondContact O-OG 3.05Å; G51-S54 VanDerWaalsContact O-OG 3.09Å
52	H	88.4	Confident	94.3	Very high	82 Å²	82	52.2 Å²	52.2	38%	0.38	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-7.9	-178.4	-172.1	-100.5	0	0	0	114.6	K32 L96	K32-H52 HydrophobicContact CB-CB 4.16Å; K32-H52 WeakPolarHBondContact O-CB 3.49Å; K32-H52 PolarHBondContact O-N 2.77Å; H52-L96 WeakPolarHBondContact CE1-CD2 3.06Å; H52-L96 WeakPolarHBondContact NE2-CD2 3.41Å
53	R	89.9	Confident	94.5	Very high	226 Å²	226	49.3 Å²	49.3	85%	0.853	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-6.4	172.9	-63.4	-172.1	-179.1	-158.7	1.7	114	G51	G51-R53 PolarHBondContact O-N 3.21Å
54	S	94.1	Very high	94.6	Very high	26 Å²	26	45.9 Å²	45.9	18%	0.182	24%	0.236	C	C	.	.			trans	-60	144.7	-173.3	-68.4	0	0	0	0	113.4	G51 S94 I95	G51-S54 VanDerWaalsContact O-CB 3.27Å; G51-S54 WeakPolarHBondContact O-CB 3.2Å; G51-S54 PolarHBondContact O-N 2.77Å; G51-S54 PolarHBondContact O-OG 3.05Å; G51-S54 VanDerWaalsContact O-OG 3.09Å; S54-S94 WeakPolarHBondContact O-CA 3.48Å; S54-I95 PolarHBondContact O-N 3.39Å
55	V	95.1	Very high	94.5	Very high	61 Å²	61	50.1 Å²	50.1	37%	0.37	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-93.3	161.8	173.8	-61.9	0	0	0	0	110.9	A57 A58 K93 I95	V55-A57 HydrophobicContact CG2-CB 4.23Å; V55-A57 PolarHBondContact O-N 3.46Å; V55-A57 VanDerWaalsContact O-N 3.1Å; V55-A58 PolarHBondContact O-N 3.09Å; V55-K93 CarbonylContact C-O 3.53Å; V55-K93 WeakPolarHBondContact CA-O 3.25Å; V55-K93 WeakPolarHBondContact CB-O 3.43Å; V55-I95 WeakPolarHBondContact O-CD1 3.26Å
56	G	94.9	Very high	94.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-50.1	-38.1	-175.9	0	0	0	0	0	113.9	A58 L59 Y60 K91 K93	G56-A58 VanDerWaalsContact C-N 3.28Å; G56-A58 PolarHBondContact O-N 2.87Å; G56-L59 PolarHBondContact O-N 3.4Å; G56-Y60 WeakPolarHBondContact O-CD2 3.38Å; G56-Y60 PolarHBondContact O-N 3.03Å; G56-K91 WeakPolarHBondContact CA-O 3.38Å; G56-K91 PolarHBondContact N-O 3.41Å; G56-K91 VanDerWaalsContact N-O 3.09Å; G56-K93 PolarHBondContact N-O 2.84Å
57	A	95.4	Very high	94.4	Very high	25 Å²	25	48.8 Å²	48.8	21%	0.207	24%	0.239	C	C	.	.	H	α-helix	trans	-52.3	-42.3	178.1	0	0	0	0	0	113	V55 L59 Y60 E61 K91	V55-A57 HydrophobicContact CG2-CB 4.23Å; V55-A57 PolarHBondContact O-N 3.46Å; V55-A57 VanDerWaalsContact O-N 3.1Å; A57-L59 VanDerWaalsContact C-N 3.33Å; A57-L59 PolarHBondContact O-N 3.05Å; A57-Y60 WeakPolarHBondContact O-CB 2.93Å; A57-Y60 PolarHBondContact O-N 3.1Å; A57-Y60 VanDerWaalsContact O-N 3.14Å; A57-E61 WeakPolarHBondContact O-CB 3.43Å; A57-E61 WeakPolarHBondContact O-CG 3.47Å; A57-E61 PolarHBondContact O-N 3.47Å; A57-K91 HydrophobicContact CB-CB 4.3Å; A57-K91 PolarHBondContact N-O 2.81Å
58	A	96.6	Very high	94.2	Very high	22 Å²	22	49.1 Å²	49.1	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-64.7	-34.7	179.5	0	0	0	0	0	112.8	L50 V55 G56 E62	L50-A58 HydrophobicContact CD2-CB 4.38Å; V55-A58 PolarHBondContact O-N 3.09Å; G56-A58 VanDerWaalsContact C-N 3.28Å; G56-A58 PolarHBondContact O-N 2.87Å; A58-E62 WeakPolarHBondContact O-CB 3.25Å; A58-E62 PolarHBondContact O-N 3.09Å; A58-E62 VanDerWaalsContact O-N 3.08Å
59	L	96.8	Very high	94	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-74.2	-35.9	173.9	-177.6	62.9	0	0	0	111.8	I36 V38 F48 L50 G56 A57 E62 V63 L77 L89 I95 L108	I36-L59 HydrophobicContact CD1-CD2 4.27Å; I36-L59 HydrophobicContact CG2-CD1 4.35Å; I36-L59 HydrophobicContact CG2-CD2 3.87Å; V38-L59 HydrophobicContact CG2-CD1 4.31Å; F48-L59 HydrophobicContact CB-CD1 3.75Å; F48-L59 HydrophobicContact CD2-CD1 4.02Å; F48-L59 HydrophobicContact CG-CD1 3.99Å; L50-L59 HydrophobicContact CD1-CB 3.71Å; L50-L59 HydrophobicContact CD1-CD1 3.85Å; L50-L59 HydrophobicContact CD1-CG 4.32Å; G56-L59 PolarHBondContact O-N 3.4Å; A57-L59 VanDerWaalsContact C-N 3.33Å; A57-L59 PolarHBondContact O-N 3.05Å; L59-E62 PolarHBondContact O-N 3.26Å; L59-V63 HydrophobicContact CD1-CG2 4.15Å; L59-V63 HydrophobicContact CG-CG2 4.36Å; L59-V63 WeakPolarHBondContact O-CB 3.26Å; L59-V63 VanDerWaalsContact O-CG2 3.23Å; L59-V63 WeakPolarHBondContact O-CG2 3.36Å; L59-V63 PolarHBondContact O-N 2.77Å; L59-L77 HydrophobicContact CB-CD1 4.47Å; L59-L77 HydrophobicContact CD2-CD1 3.97Å; L59-L77 HydrophobicContact CG-CD1 3.83Å; L59-L89 HydrophobicContact CB-CD2 4.49Å; L59-L89 HydrophobicContact CD2-CD2 3.93Å; L59-I95 HydrophobicContact CB-CD1 3.74Å; L59-L108 HydrophobicContact CD2-CD1 4.43Å; L59-L108 HydrophobicContact CD2-CD2 4.06Å
60	Y	97	Very high	93.8	Very high	9 Å²	9	46.2 Å²	46.2	4%	0.035	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-50.9	172.1	-82.1	-70.9	0	0	0	111.2	G56 A57 E62 V63 F64 L77 L89 K91	G56-Y60 WeakPolarHBondContact O-CD2 3.38Å; G56-Y60 PolarHBondContact O-N 3.03Å; A57-Y60 WeakPolarHBondContact O-CB 2.93Å; A57-Y60 PolarHBondContact O-N 3.1Å; A57-Y60 VanDerWaalsContact O-N 3.14Å; Y60-E62 VanDerWaalsContact C-N 3.3Å; Y60-E62 PolarHBondContact O-N 3.18Å; Y60-V63 PolarHBondContact O-N 3.38Å; Y60-F64 AromaticContact CD1-CE2 3.78Å; Y60-F64 HydrophobicContact CD1-CE2 3.78Å; Y60-F64 AromaticContact CD1-CZ 3.72Å; Y60-F64 HydrophobicContact CD1-CZ 3.72Å; Y60-F64 HydrophobicContact CE1-CZ 4.46Å; Y60-F64 HydrophobicContact CG-CE2 4.18Å; Y60-F64 WeakPolarHBondContact O-CB 3.45Å; Y60-F64 WeakPolarHBondContact O-CD2 3.12Å; Y60-F64 WeakPolarHBondContact O-CG 3.35Å; Y60-F64 PolarHBondContact O-N 2.96Å; Y60-L77 HydrophobicContact CD1-CD1 3.78Å; Y60-L77 HydrophobicContact CD1-CG 3.95Å; Y60-L77 HydrophobicContact CD2-CD1 4.42Å; Y60-L77 HydrophobicContact CE1-CB 3.83Å; Y60-L77 HydrophobicContact CE1-CD1 3.83Å; Y60-L77 HydrophobicContact CE1-CG 3.61Å; Y60-L77 HydrophobicContact CE2-CD1 4.46Å; Y60-L77 HydrophobicContact CG-CD1 4.09Å; Y60-L77 PolarHBondContact OH-N 3.01Å; Y60-L77 VanDerWaalsContact OH-N 3.14Å; Y60-L89 HydrophobicContact CE2-CB 4.25Å; Y60-L89 HydrophobicContact CE2-CD2 4.1Å; Y60-L89 HydrophobicContact CE2-CG 4.32Å; Y60-L89 WeakPolarHBondContact CE2-O 3.25Å; Y60-L89 PolarHBondContact OH-O 3.32Å; Y60-K91 HydrophobicContact CD2-CG 3.6Å; Y60-K91 HydrophobicContact CE2-CG 3.68Å; Y60-K91 HydrophobicContact CG-CG 4.47Å
61	E	95.7	Very high	93.8	Very high	118 Å²	118	46.1 Å²	46.1	55%	0.551	23%	0.226	S	C	*	.	H	α-helix	trans	-56.9	-42.1	176.7	-71.8	159.4	-145.4	0	0	111.9	A57 R65	A57-E61 WeakPolarHBondContact O-CB 3.43Å; A57-E61 WeakPolarHBondContact O-CG 3.47Å; A57-E61 PolarHBondContact O-N 3.47Å; E61-R65 VanDerWaalsContact O-CB 3.25Å; E61-R65 WeakPolarHBondContact O-CB 3.49Å; E61-R65 PolarHBondContact O-N 2.87Å
62	E	96.6	Very high	94	Very high	42 Å²	42	45.9 Å²	45.9	20%	0.196	22%	0.219	C	C	.	.	H	α-helix	trans	-66.3	-46.2	178	-154.7	64.1	-147.1	0	0	112.6	F48 A58 L59 Y60 R65 H66	F48-E62 HydrophobicContact CB-CG 4.47Å; F48-E62 HydrophobicContact CD1-CB 4.06Å; F48-E62 HydrophobicContact CD1-CG 3.4Å; F48-E62 VanDerWaalsContact CD1-CG 3.4Å; F48-E62 HydrophobicContact CE1-CB 4.48Å; F48-E62 HydrophobicContact CE1-CG 3.98Å; F48-E62 HydrophobicContact CG-CG 4.26Å; A58-E62 WeakPolarHBondContact O-CB 3.25Å; A58-E62 PolarHBondContact O-N 3.09Å; A58-E62 VanDerWaalsContact O-N 3.08Å; L59-E62 PolarHBondContact O-N 3.26Å; Y60-E62 VanDerWaalsContact C-N 3.3Å; Y60-E62 PolarHBondContact O-N 3.18Å; E62-R65 PolarHBondContact O-N 3.2Å; E62-R65 IonicContact OE1-CZ 3.13Å; E62-R65 IonicContact OE1-NH1 2.77Å; E62-R65 PolarHBondContact OE1-NH1 3.11Å; E62-R65 IonicContact OE2-CZ 2.82Å; E62-R65 VanDerWaalsContact OE2-CZ 3.27Å; E62-R65 IonicContact OE2-NH1 3.12Å; E62-R65 PolarHBondContact OE2-NH1 3.04Å; E62-R65 IonicContact OE2-NH2 3.23Å; E62-R65 PolarHBondContact OE2-NH2 3.04Å; E62-H66 VanDerWaalsContact O-CB 3.32Å; E62-H66 WeakPolarHBondContact O-CB 3.42Å; E62-H66 PolarHBondContact O-N 3.32Å
63	V	97.1	Very high	94.3	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-64.9	-46.1	177.7	171	0	0	0	0	111.1	V38 L40 F48 L59 Y60 R65 H66 L67 L77 F110	V38-V63 HydrophobicContact CG1-CG2 4.44Å; V38-V63 HydrophobicContact CG2-CG2 4.03Å; L40-V63 HydrophobicContact CD2-CG1 4.5Å; F48-V63 HydrophobicContact CD2-CG2 3.98Å; F48-V63 HydrophobicContact CE1-CG2 4.42Å; F48-V63 HydrophobicContact CE2-CG2 3.53Å; F48-V63 HydrophobicContact CZ-CB 4.39Å; F48-V63 HydrophobicContact CZ-CG2 3.76Å; L59-V63 HydrophobicContact CD1-CG2 4.15Å; L59-V63 HydrophobicContact CG-CG2 4.36Å; L59-V63 WeakPolarHBondContact O-CB 3.26Å; L59-V63 VanDerWaalsContact O-CG2 3.23Å; L59-V63 WeakPolarHBondContact O-CG2 3.36Å; L59-V63 PolarHBondContact O-N 2.77Å; Y60-V63 PolarHBondContact O-N 3.38Å; V63-R65 VanDerWaalsContact C-N 3.32Å; V63-R65 PolarHBondContact O-N 3.31Å; V63-H66 PolarHBondContact O-N 3.2Å; V63-L67 HydrophobicContact CG1-CD1 3.82Å; V63-L67 HydrophobicContact CG1-CG 4.48Å; V63-L67 WeakPolarHBondContact O-CB 3.39Å; V63-L67 WeakPolarHBondContact O-CG 3.43Å; V63-L67 PolarHBondContact O-N 3.12Å; V63-L77 HydrophobicContact CG1-CD2 4.45Å; V63-L77 HydrophobicContact CG2-CD1 4.36Å; V63-L77 HydrophobicContact CG2-CD2 4.33Å; V63-F110 HydrophobicContact CG1-CD2 3.65Å; V63-F110 HydrophobicContact CG1-CE2 3.96Å; V63-F110 HydrophobicContact CG1-CG 4.44Å
64	F	95.2	Very high	94.6	Very high	23 Å²	23	31.7 Å²	31.7	10%	0.101	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-36.3	179.2	-65.5	-42.9	0	0	0	112.2	Y60 N68 V69 T72 F75 F110	Y60-F64 AromaticContact CD1-CE2 3.78Å; Y60-F64 HydrophobicContact CD1-CE2 3.78Å; Y60-F64 AromaticContact CD1-CZ 3.72Å; Y60-F64 HydrophobicContact CD1-CZ 3.72Å; Y60-F64 HydrophobicContact CE1-CZ 4.46Å; Y60-F64 HydrophobicContact CG-CE2 4.18Å; Y60-F64 WeakPolarHBondContact O-CB 3.45Å; Y60-F64 WeakPolarHBondContact O-CD2 3.12Å; Y60-F64 WeakPolarHBondContact O-CG 3.35Å; Y60-F64 PolarHBondContact O-N 2.96Å; F64-N68 WeakPolarHBondContact O-CA 3.39Å; F64-N68 PolarHBondContact O-N 2.82Å; F64-V69 PolarHBondContact O-N 2.94Å; F64-V69 VanDerWaalsContact O-N 3.13Å; F64-T72 HydrophobicContact CB-CG2 3.74Å; F64-T72 HydrophobicContact CD1-CG2 3.61Å; F64-T72 HydrophobicContact CD2-CG2 3.65Å; F64-T72 HydrophobicContact CE1-CG2 4.05Å; F64-T72 HydrophobicContact CE2-CG2 4.1Å; F64-T72 HydrophobicContact CG-CG2 3.4Å; F64-T72 VanDerWaalsContact CG-CG2 3.4Å; F64-T72 HydrophobicContact CZ-CG2 4.28Å; F64-T72 VanDerWaalsContact CZ-O 3.29Å; F64-T72 WeakPolarHBondContact CZ-O 3.36Å; F64-F75 HydrophobicContact CE1-CB 4.1Å; F64-F110 HydrophobicContact CD1-CE2 4.05Å; F64-F110 AromaticContact CE1-CE2 3.77Å; F64-F110 HydrophobicContact CE1-CE2 3.77Å; F64-F110 HydrophobicContact CE1-CZ 4.37Å
65	R	93.6	Very high	94.8	Very high	127 Å²	127	30.8 Å²	30.8	48%	0.479	16%	0.156	S	C	.	.	H	α-helix	trans	-70.9	-41.5	176	-159	-173.2	-29.9	104.1	7.3	112.1	E61 E62 V63 L67 N68	E61-R65 VanDerWaalsContact O-CB 3.25Å; E61-R65 WeakPolarHBondContact O-CB 3.49Å; E61-R65 PolarHBondContact O-N 2.87Å; E62-R65 PolarHBondContact O-N 3.2Å; E62-R65 IonicContact OE1-CZ 3.13Å; E62-R65 IonicContact OE1-NH1 2.77Å; E62-R65 PolarHBondContact OE1-NH1 3.11Å; E62-R65 IonicContact OE2-CZ 2.82Å; E62-R65 VanDerWaalsContact OE2-CZ 3.27Å; E62-R65 IonicContact OE2-NH1 3.12Å; E62-R65 PolarHBondContact OE2-NH1 3.04Å; E62-R65 IonicContact OE2-NH2 3.23Å; E62-R65 PolarHBondContact OE2-NH2 3.04Å; V63-R65 VanDerWaalsContact C-N 3.32Å; V63-R65 PolarHBondContact O-N 3.31Å; R65-L67 VanDerWaalsContact C-N 3.32Å; R65-L67 PolarHBondContact O-N 2.69Å; R65-N68 PolarHBondContact O-N 2.77Å; R65-N68 VanDerWaalsContact O-N 3.16Å
66	H	94	Very high	94.9	Very high	52 Å²	52	27.9 Å²	27.9	24%	0.241	14%	0.138	C	C	.	.	H	α-helix	trans	-62.4	-37	175.3	173.7	73.5	0	0	0	112.7	S46 F48 E62 V63	S46-H66 PolarHBondContact OG-NE2 3.25Å; F48-H66 HydrophobicContact CE1-CB 3.78Å; F48-H66 AromaticContact CE1-CG 3.99Å; F48-H66 HydrophobicContact CZ-CB 4Å; F48-H66 AromaticContact CZ-CD2 3.8Å; F48-H66 AromaticContact CZ-CG 3.94Å; E62-H66 VanDerWaalsContact O-CB 3.32Å; E62-H66 WeakPolarHBondContact O-CB 3.42Å; E62-H66 PolarHBondContact O-N 3.32Å; V63-H66 PolarHBondContact O-N 3.2Å
67	L	93	Very high	95	Very high	13 Å²	13	27.9 Å²	27.9	7%	0.068	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-10	174.2	-63.2	171.6	0	0	0	113.8	L40 V63 R65 V69 F110 Y126	L40-L67 HydrophobicContact CD1-CD2 3.77Å; L40-L67 HydrophobicContact CD2-CD1 4.2Å; L40-L67 HydrophobicContact CD2-CD2 4.07Å; L40-L67 HydrophobicContact CD2-CG 4.4Å; L40-L67 HydrophobicContact CG-CD2 4.41Å; V63-L67 HydrophobicContact CG1-CD1 3.82Å; V63-L67 HydrophobicContact CG1-CG 4.48Å; V63-L67 WeakPolarHBondContact O-CB 3.39Å; V63-L67 WeakPolarHBondContact O-CG 3.43Å; V63-L67 PolarHBondContact O-N 3.12Å; R65-L67 VanDerWaalsContact C-N 3.32Å; R65-L67 PolarHBondContact O-N 2.69Å; L67-V69 HydrophobicContact CB-CG2 3.71Å; L67-V69 HydrophobicContact CD1-CG2 4.42Å; L67-V69 PolarHBondContact O-N 3.37Å; L67-F110 HydrophobicContact CD1-CD1 3.89Å; L67-F110 HydrophobicContact CD1-CD2 4.04Å; L67-F110 HydrophobicContact CD1-CE1 3.57Å; L67-F110 HydrophobicContact CD1-CE2 3.72Å; L67-F110 HydrophobicContact CD1-CG 4.12Å; L67-F110 HydrophobicContact CD1-CZ 3.47Å; L67-F110 VanDerWaalsContact CD1-CZ 3.47Å; L67-Y126 HydrophobicContact CB-CE1 4.39Å; L67-Y126 WeakPolarHBondContact O-CE1 3.31Å
68	N	91.2	Very high	95	Very high	81 Å²	81	27.6 Å²	27.6	43%	0.433	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	26.6	-172.9	-163.2	20.1	0	0	0	115.8	V18 F64 R65 R357	V18-N68 HydrophobicContact CG1-CB 4.19Å; F64-N68 WeakPolarHBondContact O-CA 3.39Å; F64-N68 PolarHBondContact O-N 2.82Å; R65-N68 PolarHBondContact O-N 2.77Å; R65-N68 VanDerWaalsContact O-N 3.16Å; N68-R357 PolarHBondContact O-NH1 2.78Å; N68-R357 PolarHBondContact OD1-NH1 2.71Å; N68-R357 PolarHBondContact OD1-NH2 2.78Å
69	V	91.1	Very high	94.8	Very high	12 Å²	12	27.1 Å²	27.1	7%	0.073	13%	0.127	C	C	.	.			trans	-74.2	129.3	-178	175.6	0	0	0	0	111.2	F64 L67 T72 F75 Y126 L130	F64-V69 PolarHBondContact O-N 2.94Å; F64-V69 VanDerWaalsContact O-N 3.13Å; L67-V69 HydrophobicContact CB-CG2 3.71Å; L67-V69 HydrophobicContact CD1-CG2 4.42Å; L67-V69 PolarHBondContact O-N 3.37Å; V69-T72 HydrophobicContact CB-CG2 4.42Å; V69-T72 HydrophobicContact CG1-CG2 4.17Å; V69-T72 WeakPolarHBondContact O-CG2 3.33Å; V69-F75 HydrophobicContact CG1-CD2 4.09Å; V69-F75 HydrophobicContact CG1-CE2 3.89Å; V69-Y126 HydrophobicContact CG2-CD1 4.02Å; V69-Y126 HydrophobicContact CG2-CE1 3.66Å; V69-L130 HydrophobicContact CG2-CD1 3.56Å
70	I	89.7	Confident	94.4	Very high	21 Å²	21	30.8 Å²	30.8	11%	0.108	14%	0.143	C	C	.	.	S	Bend	trans	-86.4	-40.6	170.4	-39.2	-179.7	0	0	0	111.8	T72 E124 R341 Y349 L350 R357	I70-T72 PolarHBondContact O-N 2.79Å; I70-E124 HydrophobicContact CD1-CG 3.94Å; I70-E124 WeakPolarHBondContact CD1-OE2 3.35Å; I70-E124 HydrophobicContact CG1-CG 4.34Å; I70-R341 PolarHBondContact O-NH2 3.09Å; I70-Y349 HydrophobicContact CG2-CD1 4.27Å; I70-Y349 HydrophobicContact CG2-CE1 3.63Å; I70-L350 HydrophobicContact CB-CD2 3.99Å; I70-L350 HydrophobicContact CD1-CD2 4.2Å; I70-L350 HydrophobicContact CG2-CD2 3.64Å; I70-R357 VanDerWaalsContact CG1-CZ 3.46Å; I70-R357 VanDerWaalsContact CG1-NH1 3.29Å
71	E	93.6	Very high	93.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.147	C	C	.	.			trans	-81.5	41.4	-173	-53	-168.1	72.2	0	0	112.4	D73 Y74 F75 E123 E124 T127 L346 L350	E71-D73 PolarHBondContact O-N 3.01Å; E71-D73 VanDerWaalsContact O-N 3.09Å; E71-Y74 HydrophobicContact CB-CD2 3.88Å; E71-Y74 HydrophobicContact CB-CE2 4.2Å; E71-Y74 PolarHBondContact O-N 3.25Å; E71-F75 WeakPolarHBondContact O-CD2 3.44Å; E71-E123 PolarHBondContact OE1-N 2.73Å; E71-E123 PolarHBondContact OE2-N 2.88Å; E71-E124 HydrophobicContact CG-CG 4.4Å; E71-E124 WeakPolarHBondContact OE2-CB 3.23Å; E71-E124 PolarHBondContact OE2-N 2.75Å; E71-T127 HydrophobicContact CB-CG2 3.9Å; E71-T127 WeakPolarHBondContact CB-OG1 3.39Å; E71-T127 VanDerWaalsContact CD-OG1 3.28Å; E71-T127 HydrophobicContact CG-CG2 4.36Å; E71-T127 WeakPolarHBondContact CG-OG1 3.45Å; E71-T127 WeakPolarHBondContact OE2-CB 3.37Å; E71-T127 PolarHBondContact OE2-OG1 3.45Å; E71-L346 HydrophobicContact CB-CD2 4.19Å; E71-L350 HydrophobicContact CG-CD1 3.83Å; E71-L350 HydrophobicContact CG-CD2 4.04Å
72	T	95	Very high	93	Very high	22 Å²	22	29.2 Å²	29.2	14%	0.135	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-56.3	-30.4	-168.6	55.9	0	0	0	0	114.2	F64 V69 I70 Y74 F75 R341	F64-T72 HydrophobicContact CB-CG2 3.74Å; F64-T72 HydrophobicContact CD1-CG2 3.61Å; F64-T72 HydrophobicContact CD2-CG2 3.65Å; F64-T72 HydrophobicContact CE1-CG2 4.05Å; F64-T72 HydrophobicContact CE2-CG2 4.1Å; F64-T72 HydrophobicContact CG-CG2 3.4Å; F64-T72 VanDerWaalsContact CG-CG2 3.4Å; F64-T72 HydrophobicContact CZ-CG2 4.28Å; F64-T72 VanDerWaalsContact CZ-O 3.29Å; F64-T72 WeakPolarHBondContact CZ-O 3.36Å; V69-T72 HydrophobicContact CB-CG2 4.42Å; V69-T72 HydrophobicContact CG1-CG2 4.17Å; V69-T72 WeakPolarHBondContact O-CG2 3.33Å; I70-T72 PolarHBondContact O-N 2.79Å; T72-Y74 VanDerWaalsContact C-N 3.31Å; T72-Y74 PolarHBondContact O-N 3.08Å; T72-F75 PolarHBondContact O-N 2.82Å; T72-F75 VanDerWaalsContact O-N 3.12Å; T72-R341 PolarHBondContact OG1-NH2 2.89Å
73	D	95.2	Very high	92.2	Very high	11 Å²	11	33 Å²	33	6%	0.059	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-72	-22.8	-172	-64.2	-85	0	0	0	113.3	E71 F75 F114 F313 G340 R341	E71-D73 PolarHBondContact O-N 3.01Å; E71-D73 VanDerWaalsContact O-N 3.09Å; D73-F75 PolarHBondContact O-N 2.89Å; D73-F114 WeakPolarHBondContact O-CD2 3.4Å; D73-F114 WeakPolarHBondContact O-CE2 3.49Å; D73-F313 HydrophobicContact CB-CE2 3.91Å; D73-G340 WeakPolarHBondContact OD1-CA 3.46Å; D73-R341 PolarHBondContact OD1-N 3.14Å; D73-R341 IonicContact OD2-CZ 3.85Å; D73-R341 VanDerWaalsContact OD2-CZ 3.24Å; D73-R341 IonicContact OD2-NE 2.91Å; D73-R341 PolarHBondContact OD2-NE 2.95Å; D73-R341 IonicContact OD2-NH2 2.81Å; D73-R341 PolarHBondContact OD2-NH2 2.94Å
74	Y	96.8	Very high	91.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-66.5	-19.9	170.4	-70	-65.9	0	0	0	113.2	E71 T72 K113 F114 D121 L122 T127 F131 F313 Q343 L346	E71-Y74 HydrophobicContact CB-CD2 3.88Å; E71-Y74 HydrophobicContact CB-CE2 4.2Å; E71-Y74 PolarHBondContact O-N 3.25Å; T72-Y74 VanDerWaalsContact C-N 3.31Å; T72-Y74 PolarHBondContact O-N 3.08Å; Y74-K113 WeakPolarHBondContact O-CA 3.23Å; Y74-K113 WeakPolarHBondContact O-CB 3.48Å; Y74-K113 PolarHBondContact O-N 3.36Å; Y74-F114 HydrophobicContact CD1-CB 4.34Å; Y74-F114 PolarHBondContact O-N 2.68Å; Y74-D121 PolarHBondContact OH-O 2.77Å; Y74-L122 HydrophobicContact CD1-CD2 4.48Å; Y74-L122 HydrophobicContact CD2-CD2 3.83Å; Y74-L122 HydrophobicContact CE1-CD2 4.08Å; Y74-L122 HydrophobicContact CE2-CD2 3.36Å; Y74-L122 HydrophobicContact CG-CD2 4.38Å; Y74-T127 HydrophobicContact CD2-CG2 4.37Å; Y74-F131 HydrophobicContact CD1-CZ 4.12Å; Y74-F131 HydrophobicContact CD2-CE2 4.45Å; Y74-F131 HydrophobicContact CG-CE2 4.13Å; Y74-F131 HydrophobicContact CG-CZ 4.07Å; Y74-F313 AromaticContact CD1-CE1 3.72Å; Y74-F313 HydrophobicContact CD1-CE1 3.72Å; Y74-F313 AromaticContact CD1-CZ 3.55Å; Y74-F313 HydrophobicContact CD1-CZ 3.55Å; Y74-F313 AromaticContact CE1-CE1 3.64Å; Y74-F313 HydrophobicContact CE1-CE1 3.64Å; Y74-F313 AromaticContact CE1-CZ 3.54Å; Y74-F313 HydrophobicContact CE1-CZ 3.54Å; Y74-F313 HydrophobicContact CG-CZ 4.25Å; Y74-Q343 HydrophobicContact CE1-CG 4.42Å; Y74-Q343 PolarHBondContact OH-NE2 3.19Å; Y74-L346 HydrophobicContact CD2-CD2 3.8Å; Y74-L346 HydrophobicContact CE2-CD2 3.51Å
75	F	97.7	Very high	90.8	Very high	7 Å²	7	36.3 Å²	36.3	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	162.5	-170.5	-59.6	-83.3	0	0	0	112.9	L41 F64 V69 E71 T72 D73 F110 V112 T127 L130 F131	L41-F75 HydrophobicContact CD1-CD1 4.37Å; L41-F75 HydrophobicContact CD1-CE1 4.12Å; F64-F75 HydrophobicContact CE1-CB 4.1Å; V69-F75 HydrophobicContact CG1-CD2 4.09Å; V69-F75 HydrophobicContact CG1-CE2 3.89Å; E71-F75 WeakPolarHBondContact O-CD2 3.44Å; T72-F75 PolarHBondContact O-N 2.82Å; T72-F75 VanDerWaalsContact O-N 3.12Å; D73-F75 PolarHBondContact O-N 2.89Å; F75-F110 HydrophobicContact CB-CE1 4.43Å; F75-F110 HydrophobicContact CB-CE2 3.77Å; F75-F110 HydrophobicContact CB-CZ 3.64Å; F75-F110 HydrophobicContact CD1-CD1 4.48Å; F75-F110 AromaticContact CD1-CE1 3.59Å; F75-F110 HydrophobicContact CD1-CE1 3.59Å; F75-F110 HydrophobicContact CD1-CE2 4.44Å; F75-F110 AromaticContact CD1-CZ 3.56Å; F75-F110 HydrophobicContact CD1-CZ 3.56Å; F75-F110 HydrophobicContact CD2-CZ 4.11Å; F75-F110 HydrophobicContact CE1-CE1 4Å; F75-F110 HydrophobicContact CE1-CZ 4.24Å; F75-F110 HydrophobicContact CG-CE1 4.03Å; F75-F110 HydrophobicContact CG-CE2 4.16Å; F75-F110 AromaticContact CG-CZ 3.49Å; F75-F110 HydrophobicContact CG-CZ 3.49Å; F75-F110 VanDerWaalsContact CG-CZ 3.49Å; F75-V112 HydrophobicContact CD1-CG2 4.07Å; F75-V112 HydrophobicContact CE1-CG2 3.82Å; F75-T127 HydrophobicContact CE2-CG2 4.08Å; F75-T127 HydrophobicContact CZ-CG2 4.08Å; F75-L130 HydrophobicContact CE1-CB 3.74Å; F75-L130 HydrophobicContact CE1-CD1 4.17Å; F75-L130 HydrophobicContact CE2-CD1 4.36Å; F75-L130 HydrophobicContact CZ-CB 3.72Å; F75-L130 HydrophobicContact CZ-CD1 3.79Å; F75-L130 HydrophobicContact CZ-CG 4.43Å; F75-F131 HydrophobicContact CE1-CD2 4.35Å; F75-F131 HydrophobicContact CE1-CE2 4.39Å; F75-F131 HydrophobicContact CZ-CD2 4.05Å; F75-F131 HydrophobicContact CZ-CE2 4.04Å
76	G	97	Very high	90.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	164.6	176.1	0	0	0	0	0	112.6	W88 I111	G76-W88 VanDerWaalsContact C-CZ3 3.5Å; G76-W88 VanDerWaalsContact CA-CZ3 3.41Å; G76-I111 PolarHBondContact N-O 2.84Å; G76-I111 PolarHBondContact O-N 3.38Å
77	L	97.1	Very high	90.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.6	171.4	-69	170	0	0	0	108.7	V38 L59 Y60 V63 L89 L108 Y109 F110	V38-L77 HydrophobicContact CG1-CD2 3.66Å; V38-L77 HydrophobicContact CG2-CD2 4.47Å; L59-L77 HydrophobicContact CB-CD1 4.47Å; L59-L77 HydrophobicContact CD2-CD1 3.97Å; L59-L77 HydrophobicContact CG-CD1 3.83Å; Y60-L77 HydrophobicContact CD1-CD1 3.78Å; Y60-L77 HydrophobicContact CD1-CG 3.95Å; Y60-L77 HydrophobicContact CD2-CD1 4.42Å; Y60-L77 HydrophobicContact CE1-CB 3.83Å; Y60-L77 HydrophobicContact CE1-CD1 3.83Å; Y60-L77 HydrophobicContact CE1-CG 3.61Å; Y60-L77 HydrophobicContact CE2-CD1 4.46Å; Y60-L77 HydrophobicContact CG-CD1 4.09Å; Y60-L77 PolarHBondContact OH-N 3.01Å; Y60-L77 VanDerWaalsContact OH-N 3.14Å; V63-L77 HydrophobicContact CG1-CD2 4.45Å; V63-L77 HydrophobicContact CG2-CD1 4.36Å; V63-L77 HydrophobicContact CG2-CD2 4.33Å; L77-L89 HydrophobicContact CB-CB 4.12Å; L77-L89 HydrophobicContact CB-CD2 4.34Å; L77-L89 HydrophobicContact CD1-CD2 4Å; L77-L89 PolarHBondContact O-N 2.91Å; L77-L108 HydrophobicContact CB-CD2 4.1Å; L77-Y109 WeakPolarHBondContact CA-O 3.44Å; L77-F110 HydrophobicContact CD2-CB 4.36Å; L77-F110 HydrophobicContact CD2-CD2 4.26Å
78	Q	94.7	Very high	90.4	Very high	19 Å²	19	34.9 Å²	34.9	9%	0.089	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	154.1	172.3	-62.8	-169.1	20.8	0	0	111.8	R87 W88 L108 Y109 I111	Q78-R87 CarbonylContact C-O 3.56Å; Q78-R87 VanDerWaalsContact CA-O 3.22Å; Q78-R87 WeakPolarHBondContact CA-O 3.46Å; Q78-W88 HydrophobicContact CB-CE3 4.47Å; Q78-W88 HydrophobicContact CG-CD2 3.86Å; Q78-W88 HydrophobicContact CG-CE3 3.3Å; Q78-W88 HydrophobicContact CG-CH2 3.87Å; Q78-W88 HydrophobicContact CG-CZ2 4.36Å; Q78-W88 HydrophobicContact CG-CZ3 3.29Å; Q78-L108 CarbonylContact O-C 3.58Å; Q78-L108 WeakPolarHBondContact O-CA 3.44Å; Q78-L108 WeakPolarHBondContact O-CB 3.47Å; Q78-Y109 PolarHBondContact N-O 2.96Å; Q78-Y109 PolarHBondContact O-N 2.81Å; Q78-I111 HydrophobicContact CB-CD1 4.19Å; Q78-I111 HydrophobicContact CG-CB 4.48Å; Q78-I111 HydrophobicContact CG-CD1 4.17Å
79	F	92.7	Very high	90.6	Very high	12 Å²	12	31.2 Å²	31.2	5%	0.053	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	161.9	163.4	65.7	-82	0	0	0	109.6	R87 Q98 L99 L108	F79-R87 HydrophobicContact CD1-CB 4.18Å; F79-R87 HydrophobicContact CD2-CB 4.44Å; F79-R87 HydrophobicContact CE1-CB 3.73Å; F79-R87 HydrophobicContact CE2-CB 4.04Å; F79-R87 HydrophobicContact CE2-CG 4.27Å; F79-R87 HydrophobicContact CZ-CB 3.66Å; F79-R87 HydrophobicContact CZ-CG 4.24Å; F79-R87 PolarHBondContact N-O 2.77Å; F79-R87 PolarHBondContact O-N 2.86Å; F79-Q98 HydrophobicContact CZ-CB 4.24Å; F79-L99 HydrophobicContact CB-CD2 4.27Å; F79-L99 HydrophobicContact CD1-CD2 4.18Å; F79-L99 HydrophobicContact CD2-CD2 4.01Å; F79-L99 HydrophobicContact CE2-CD2 4.37Å; F79-L99 HydrophobicContact CG-CD2 3.91Å; F79-L108 HydrophobicContact CB-CG 4.25Å
80	F	88.7	Confident	90.6	Very high	77 Å²	77	32.7 Å²	32.7	34%	0.338	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	133.5	169.6	-65.5	-94.1	0	0	0	109	G84 R86 C102 Y109	F80-G84 WeakPolarHBondContact CD1-O 2.94Å; F80-R86 HydrophobicContact CD1-CG 3.86Å; F80-R86 HydrophobicContact CE1-CG 3.43Å; F80-R86 VanDerWaalsContact CE1-CG 3.43Å; F80-R86 HydrophobicContact CZ-CG 3.89Å; F80-C102 PolarHBondContact O-SG 2.99Å; F80-Y109 HydrophobicContact CD2-CD2 4.36Å; F80-Y109 AromaticContact CD2-CE2 3.67Å; F80-Y109 HydrophobicContact CD2-CE2 3.67Å; F80-Y109 HydrophobicContact CE2-CD2 4.13Å; F80-Y109 AromaticContact CE2-CE2 3.56Å; F80-Y109 HydrophobicContact CE2-CE2 3.56Å; F80-Y109 AromaticContact CE2-CZ 3.88Å
81	D	82.3	Confident	90.8	Very high	24 Å²	24	34.2 Å²	34.2	13%	0.128	18%	0.18	C	C	.	.			trans	-84.2	-174.6	170.5	68.6	12.7	0	0	0	112.2	D83 G84 C85 R87	D81-D83 PolarHBondContact O-N 3.02Å; D81-D83 PolarHBondContact OD1-N 3.15Å; D81-G84 PolarHBondContact O-N 3.42Å; D81-G84 VanDerWaalsContact O-N 3.14Å; D81-G84 PolarHBondContact OD1-N 3.28Å; D81-C85 PolarHBondContact N-O 3.06Å; D81-C85 VanDerWaalsContact N-O 3.08Å; D81-C85 WeakPolarHBondContact OD1-CB 3.03Å; D81-C85 PolarHBondContact OD1-N 3.44Å; D81-R87 HydrophobicContact CB-CG 4.19Å; D81-R87 IonicContact OD2-CZ 3.25Å; D81-R87 IonicContact OD2-NE 2.77Å; D81-R87 PolarHBondContact OD2-NE 3.49Å; D81-R87 IonicContact OD2-NH2 4Å; D81-R87 PolarHBondContact OD2-NH2 3.42Å
82	V	79.8	Confident	90.6	Very high	69 Å²	69	38.8 Å²	38.8	42%	0.418	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.6	178.8	-85.2	0	0	0	0	114.8	G84 A101 K103	V82-G84 VanDerWaalsContact C-N 3.29Å; V82-A101 WeakPolarHBondContact CG1-O 3.22Å; V82-K103 HydrophobicContact CG1-CB 4.14Å; V82-K103 HydrophobicContact CG1-CD 3.83Å; V82-K103 HydrophobicContact CG1-CG 3.61Å
83	D	80.2	Confident	90.5	Very high	123 Å²	123	42.3 Å²	42.3	66%	0.658	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	8.6	-179.3	-53.8	-40.8	0	0	0	111.1	D81 C85	D81-D83 PolarHBondContact O-N 3.02Å; D81-D83 PolarHBondContact OD1-N 3.15Å; D83-C85 PolarHBondContact O-N 3.36Å
84	G	81.2	Confident	90.4	Very high	49 Å²	49	43.1 Å²	43.1	51%	0.505	23%	0.231	S	C	.	.	S	Bend	trans	70	12.4	-174.4	0	0	0	0	0	113.7	F80 D81 V82	F80-G84 WeakPolarHBondContact CD1-O 2.94Å; D81-G84 PolarHBondContact O-N 3.42Å; D81-G84 VanDerWaalsContact O-N 3.14Å; D81-G84 PolarHBondContact OD1-N 3.28Å; V82-G84 VanDerWaalsContact C-N 3.29Å
85	C	83	Confident	90.1	Very high	43 Å²	43	43.1 Å²	43.1	29%	0.291	23%	0.231	S	C	.	.			trans	-85	133.5	-177.1	-67.8	0	0	0	0	111.2	D81 D83 R87	D81-C85 PolarHBondContact N-O 3.06Å; D81-C85 VanDerWaalsContact N-O 3.08Å; D81-C85 WeakPolarHBondContact OD1-CB 3.03Å; D81-C85 PolarHBondContact OD1-N 3.44Å; D83-C85 PolarHBondContact O-N 3.36Å; C85-R87 PolarHBondContact O-N 3.16Å
86	R	88.3	Confident	89.7	Confident	98 Å²	98	45.5 Å²	45.5	37%	0.37	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	116.8	177.8	-66.6	-173.6	-167.3	168.8	4.8	111.2	F80 E143	F80-R86 HydrophobicContact CD1-CG 3.86Å; F80-R86 HydrophobicContact CE1-CG 3.43Å; F80-R86 VanDerWaalsContact CE1-CG 3.43Å; F80-R86 HydrophobicContact CZ-CG 3.89Å; R86-E143 IonicContact CZ-OE1 2.86Å; R86-E143 VanDerWaalsContact NH1-CD 3.3Å; R86-E143 IonicContact NH1-OE1 2.78Å; R86-E143 PolarHBondContact NH1-OE1 2.92Å; R86-E143 IonicContact NH1-OE2 3.55Å; R86-E143 PolarHBondContact NH1-OE2 2.89Å; R86-E143 IonicContact NH2-OE1 2.89Å; R86-E143 PolarHBondContact NH2-OE1 2.87Å
87	R	89.6	Confident	89.3	Confident	23 Å²	23	54 Å²	54	9%	0.087	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.2	178.9	-53.1	-52.5	-177	-166.6	3.8	110.6	Q78 F79 D81 C85 E299	Q78-R87 CarbonylContact C-O 3.56Å; Q78-R87 VanDerWaalsContact CA-O 3.22Å; Q78-R87 WeakPolarHBondContact CA-O 3.46Å; F79-R87 HydrophobicContact CD1-CB 4.18Å; F79-R87 HydrophobicContact CD2-CB 4.44Å; F79-R87 HydrophobicContact CE1-CB 3.73Å; F79-R87 HydrophobicContact CE2-CB 4.04Å; F79-R87 HydrophobicContact CE2-CG 4.27Å; F79-R87 HydrophobicContact CZ-CB 3.66Å; F79-R87 HydrophobicContact CZ-CG 4.24Å; F79-R87 PolarHBondContact N-O 2.77Å; F79-R87 PolarHBondContact O-N 2.86Å; D81-R87 HydrophobicContact CB-CG 4.19Å; D81-R87 IonicContact OD2-CZ 3.25Å; D81-R87 IonicContact OD2-NE 2.77Å; D81-R87 PolarHBondContact OD2-NE 3.49Å; D81-R87 IonicContact OD2-NH2 4Å; D81-R87 PolarHBondContact OD2-NH2 3.42Å; C85-R87 PolarHBondContact O-N 3.16Å; R87-E299 IonicContact CZ-OE1 2.67Å; R87-E299 VanDerWaalsContact CZ-OE1 3.23Å; R87-E299 IonicContact CZ-OE2 3.11Å; R87-E299 IonicContact NH1-OE1 3.02Å; R87-E299 PolarHBondContact NH1-OE1 3.25Å; R87-E299 IonicContact NH1-OE2 3.43Å; R87-E299 PolarHBondContact NH1-OE2 3.15Å; R87-E299 IonicContact NH2-OE1 2.94Å; R87-E299 PolarHBondContact NH2-OE1 3.08Å
88	W	93.8	Very high	89	Confident	41 Å²	41	54.9 Å²	54.9	16%	0.155	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	136.1	166.6	-66.9	119.1	0	0	0	109.7	G76 Q78 E90 I111 K113	G76-W88 VanDerWaalsContact C-CZ3 3.5Å; G76-W88 VanDerWaalsContact CA-CZ3 3.41Å; Q78-W88 HydrophobicContact CB-CE3 4.47Å; Q78-W88 HydrophobicContact CG-CD2 3.86Å; Q78-W88 HydrophobicContact CG-CE3 3.3Å; Q78-W88 HydrophobicContact CG-CH2 3.87Å; Q78-W88 HydrophobicContact CG-CZ2 4.36Å; Q78-W88 HydrophobicContact CG-CZ3 3.29Å; W88-E90 PolarHBondContact O-N 3.36Å; W88-I111 HydrophobicContact CH2-CB 4.41Å; W88-I111 HydrophobicContact CH2-CG2 4.13Å; W88-I111 HydrophobicContact CZ3-CB 4.41Å; W88-K113 HydrophobicContact CD2-CD 4.3Å; W88-K113 HydrophobicContact CD2-CG 4.49Å; W88-K113 HydrophobicContact CE3-CD 4.5Å; W88-K113 VanDerWaalsContact CH2-CA 3.44Å; W88-K113 HydrophobicContact CH2-CB 3.52Å; W88-K113 HydrophobicContact CH2-CD 4.5Å; W88-K113 HydrophobicContact CH2-CG 3.9Å; W88-K113 HydrophobicContact CZ2-CB 3.74Å; W88-K113 HydrophobicContact CZ2-CD 4.29Å; W88-K113 HydrophobicContact CZ2-CG 3.6Å; W88-K113 HydrophobicContact CZ3-CB 4.08Å; W88-K113 HydrophobicContact CZ3-CG 4.45Å
89	L	94.5	Very high	88.7	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.021	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-65.4	122.2	170.2	-175.9	73.2	0	0	0	110	L59 Y60 L77 I95 Q98 L108	L59-L89 HydrophobicContact CB-CD2 4.49Å; L59-L89 HydrophobicContact CD2-CD2 3.93Å; Y60-L89 HydrophobicContact CE2-CB 4.25Å; Y60-L89 HydrophobicContact CE2-CD2 4.1Å; Y60-L89 HydrophobicContact CE2-CG 4.32Å; Y60-L89 WeakPolarHBondContact CE2-O 3.25Å; Y60-L89 PolarHBondContact OH-O 3.32Å; L77-L89 HydrophobicContact CB-CB 4.12Å; L77-L89 HydrophobicContact CB-CD2 4.34Å; L77-L89 HydrophobicContact CD1-CD2 4Å; L77-L89 PolarHBondContact O-N 2.91Å; L89-I95 HydrophobicContact CD1-CG2 4.34Å; L89-Q98 HydrophobicContact CD1-CB 4.44Å; L89-L108 HydrophobicContact CB-CD2 4.29Å; L89-L108 HydrophobicContact CD1-CD2 4.39Å; L89-L108 HydrophobicContact CD2-CD2 3.94Å; L89-L108 HydrophobicContact CG-CD2 4.45Å
90	E	92.4	Very high	87.9	Confident	43 Å²	43	59 Å²	59	20%	0.201	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-81.6	118.3	178.9	-58.1	-170.5	-135.5	0	0	110.7	W88 S92 K93 Q98 K305	W88-E90 PolarHBondContact O-N 3.36Å; E90-S92 VanDerWaalsContact C-N 3.27Å; E90-S92 PolarHBondContact O-N 3.08Å; E90-K93 HydrophobicContact CB-CB 4.3Å; E90-K93 HydrophobicContact CB-CD 4.01Å; E90-K93 HydrophobicContact CB-CG 4.16Å; E90-K93 VanDerWaalsContact CD-CE 3.43Å; E90-K93 HydrophobicContact CG-CD 4.33Å; E90-K93 PolarHBondContact O-N 3.27Å; E90-K93 WeakPolarHBondContact OE1-CE 3.22Å; E90-K93 IonicContact OE1-NZ 2.69Å; E90-K93 PolarHBondContact OE1-NZ 3.35Å; E90-K93 VanDerWaalsContact OE2-CE 3.25Å; E90-K93 WeakPolarHBondContact OE2-CE 3.44Å; E90-K93 IonicContact OE2-NZ 3.31Å; E90-K93 PolarHBondContact OE2-NZ 3.04Å; E90-Q98 PolarHBondContact O-NE2 3.07Å; E90-K305 IonicContact OE1-NZ 2.69Å; E90-K305 PolarHBondContact OE1-NZ 3.27Å; E90-K305 VanDerWaalsContact OE1-NZ 3.11Å; E90-K305 IonicContact OE2-NZ 3.64Å; E90-K305 PolarHBondContact OE2-NZ 3.38Å
91	K	93	Very high	86.9	Confident	54 Å²	54	58.2 Å²	58.2	24%	0.235	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-44.6	-178.6	-72.8	-179.6	176.3	-178.4	0	113.3	G56 A57 Y60 K93 D339	G56-K91 WeakPolarHBondContact CA-O 3.38Å; G56-K91 PolarHBondContact N-O 3.41Å; G56-K91 VanDerWaalsContact N-O 3.09Å; A57-K91 HydrophobicContact CB-CB 4.3Å; A57-K91 PolarHBondContact N-O 2.81Å; Y60-K91 HydrophobicContact CD2-CG 3.6Å; Y60-K91 HydrophobicContact CE2-CG 3.68Å; Y60-K91 HydrophobicContact CG-CG 4.47Å; K91-K93 PolarHBondContact O-N 3.34Å; K91-D339 WeakPolarHBondContact CB-OD2 3.44Å; K91-D339 HydrophobicContact CD-CB 4.46Å; K91-D339 WeakPolarHBondContact CD-OD2 3.36Å; K91-D339 PolarHBondContact NZ-O 2.91Å
92	S	90.1	Very high	86	Confident	95 Å²	95	57.8 Å²	57.8	66%	0.664	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.6	-172.9	57.1	0	0	0	0	115.7	E90	E90-S92 VanDerWaalsContact C-N 3.27Å; E90-S92 PolarHBondContact O-N 3.08Å
93	K	91.8	Very high	85	Confident	96 Å²	96	64 Å²	64	42%	0.417	34%	0.34	S	S	.	.	S	Bend	trans	-106.7	148.4	-179.7	-69.3	-177.4	-176.3	175	0	111.3	V55 G56 E90 K91 I95 Q98	V55-K93 CarbonylContact C-O 3.53Å; V55-K93 WeakPolarHBondContact CA-O 3.25Å; V55-K93 WeakPolarHBondContact CB-O 3.43Å; G56-K93 PolarHBondContact N-O 2.84Å; E90-K93 HydrophobicContact CB-CB 4.3Å; E90-K93 HydrophobicContact CB-CD 4.01Å; E90-K93 HydrophobicContact CB-CG 4.16Å; E90-K93 VanDerWaalsContact CD-CE 3.43Å; E90-K93 HydrophobicContact CG-CD 4.33Å; E90-K93 PolarHBondContact O-N 3.27Å; E90-K93 WeakPolarHBondContact OE1-CE 3.22Å; E90-K93 IonicContact OE1-NZ 2.69Å; E90-K93 PolarHBondContact OE1-NZ 3.35Å; E90-K93 VanDerWaalsContact OE2-CE 3.25Å; E90-K93 WeakPolarHBondContact OE2-CE 3.44Å; E90-K93 IonicContact OE2-NZ 3.31Å; E90-K93 PolarHBondContact OE2-NZ 3.04Å; K91-K93 PolarHBondContact O-N 3.34Å; K93-I95 PolarHBondContact O-N 2.86Å; K93-Q98 HydrophobicContact CB-CG 4.13Å; K93-Q98 HydrophobicContact CD-CG 4.36Å; K93-Q98 PolarHBondContact O-NE2 3.14Å
94	S	92.8	Very high	84.1	Confident	28 Å²	28	62.5 Å²	62.5	20%	0.196	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-52.1	133.1	169.4	169.3	0	0	0	0	110.1	S54 K97 Q98	S54-S94 WeakPolarHBondContact O-CA 3.48Å; S94-K97 PolarHBondContact O-N 3.02Å; S94-Q98 PolarHBondContact O-N 3.21Å; S94-Q98 PolarHBondContact O-NE2 2.79Å; S94-Q98 VanDerWaalsContact O-NE2 3.15Å
95	I	92.5	Very high	83.2	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-65.2	-50.7	-178.2	-61.3	160.6	0	0	0	109.4	M34 I36 L50 S54 V55 L59 L89 K93 K97 Q98 L99	M34-I95 HydrophobicContact CE-CB 3.98Å; M34-I95 HydrophobicContact CE-CD1 3.75Å; M34-I95 HydrophobicContact CE-CG1 4.42Å; M34-I95 HydrophobicContact CE-CG2 4.45Å; I36-I95 HydrophobicContact CD1-CB 4.44Å; I36-I95 HydrophobicContact CD1-CD1 4.34Å; I36-I95 HydrophobicContact CD1-CG2 3.53Å; L50-I95 HydrophobicContact CD1-CD1 3.76Å; S54-I95 PolarHBondContact O-N 3.39Å; V55-I95 WeakPolarHBondContact O-CD1 3.26Å; L59-I95 HydrophobicContact CB-CD1 3.74Å; L89-I95 HydrophobicContact CD1-CG2 4.34Å; K93-I95 PolarHBondContact O-N 2.86Å; I95-K97 VanDerWaalsContact C-N 3.31Å; I95-K97 PolarHBondContact O-N 3.38Å; I95-Q98 WeakPolarHBondContact O-CB 3.42Å; I95-Q98 PolarHBondContact O-N 2.89Å; I95-L99 HydrophobicContact CG2-CD1 3.38Å; I95-L99 HydrophobicContact CG2-CG 3.9Å; I95-L99 WeakPolarHBondContact O-CG 3.2Å; I95-L99 PolarHBondContact O-N 3.38Å
96	L	88.4	Confident	82.6	Confident	57 Å²	57	65.8 Å²	65.8	30%	0.298	34%	0.339	S	S	.	.	H	α-helix	trans	-49.8	-49.1	175.3	-174.7	76.6	0	0	0	112	H52 Q98 L99 T100	H52-L96 WeakPolarHBondContact CE1-CD2 3.06Å; H52-L96 WeakPolarHBondContact NE2-CD2 3.41Å; L96-Q98 PolarHBondContact O-N 2.85Å; L96-Q98 VanDerWaalsContact O-N 3.09Å; L96-L99 PolarHBondContact O-N 2.85Å; L96-L99 VanDerWaalsContact O-N 3.1Å; L96-T100 WeakPolarHBondContact O-CB 3.35Å; L96-T100 PolarHBondContact O-N 3.06Å; L96-T100 PolarHBondContact O-OG1 3.04Å
97	K	88.9	Confident	82.4	Confident	178 Å²	178	64.8 Å²	64.8	77%	0.774	34%	0.336	S	S	*	.	H	α-helix	trans	-63.8	-17.5	-179.3	-68.5	-168.6	176.4	-171.4	0	114.8	S94 I95	S94-K97 PolarHBondContact O-N 3.02Å; I95-K97 VanDerWaalsContact C-N 3.31Å; I95-K97 PolarHBondContact O-N 3.38Å
98	Q	90.8	Very high	82.7	Confident	19 Å²	19	63.7 Å²	63.7	9%	0.089	33%	0.332	C	S	.	.	H	α-helix	trans	-90.9	-40.5	173	-65	172.8	95.1	0	0	110.8	F79 L89 E90 K93 S94 I95 L96 A101	F79-Q98 HydrophobicContact CZ-CB 4.24Å; L89-Q98 HydrophobicContact CD1-CB 4.44Å; E90-Q98 PolarHBondContact O-NE2 3.07Å; K93-Q98 HydrophobicContact CB-CG 4.13Å; K93-Q98 HydrophobicContact CD-CG 4.36Å; K93-Q98 PolarHBondContact O-NE2 3.14Å; S94-Q98 PolarHBondContact O-N 3.21Å; S94-Q98 PolarHBondContact O-NE2 2.79Å; S94-Q98 VanDerWaalsContact O-NE2 3.15Å; I95-Q98 WeakPolarHBondContact O-CB 3.42Å; I95-Q98 PolarHBondContact O-N 2.89Å; L96-Q98 PolarHBondContact O-N 2.85Å; L96-Q98 VanDerWaalsContact O-N 3.09Å; Q98-A101 WeakPolarHBondContact O-CB 3.27Å
99	L	87.2	Confident	82.8	Confident	18 Å²	18	63.8 Å²	63.8	9%	0.094	33%	0.332	C	S	.	.	H	α-helix	trans	-81.9	-24.7	-175.4	-64.1	-172	0	0	0	114.1	I36 F79 I95 L96 A101 C102 P106 L108	I36-L99 HydrophobicContact CD1-CD1 4.35Å; F79-L99 HydrophobicContact CB-CD2 4.27Å; F79-L99 HydrophobicContact CD1-CD2 4.18Å; F79-L99 HydrophobicContact CD2-CD2 4.01Å; F79-L99 HydrophobicContact CE2-CD2 4.37Å; F79-L99 HydrophobicContact CG-CD2 3.91Å; I95-L99 HydrophobicContact CG2-CD1 3.38Å; I95-L99 HydrophobicContact CG2-CG 3.9Å; I95-L99 WeakPolarHBondContact O-CG 3.2Å; I95-L99 PolarHBondContact O-N 3.38Å; L96-L99 PolarHBondContact O-N 2.85Å; L96-L99 VanDerWaalsContact O-N 3.1Å; L99-A101 PolarHBondContact O-N 2.94Å; L99-C102 VanDerWaalsContact O-CB 3.23Å; L99-C102 WeakPolarHBondContact O-CB 3.05Å; L99-C102 PolarHBondContact O-N 3.32Å; L99-P106 HydrophobicContact CB-CG 3.68Å; L99-P106 HydrophobicContact CD1-CG 4.04Å; L99-P106 HydrophobicContact CD2-CB 4.12Å; L99-P106 HydrophobicContact CD2-CG 3.9Å; L99-P106 HydrophobicContact CG-CG 4.05Å; L99-L108 HydrophobicContact CD1-CD1 3.97Å; L99-L108 HydrophobicContact CD2-CD1 4.43Å
100	T	75.9	Confident	82.9	Confident	101 Å²	101	63.6 Å²	63.6	62%	0.62	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-14.6	171.9	-58.7	0	0	0	0	112.7	L96 C102	L96-T100 WeakPolarHBondContact O-CB 3.35Å; L96-T100 PolarHBondContact O-N 3.06Å; L96-T100 PolarHBondContact O-OG1 3.04Å; T100-C102 PolarHBondContact O-N 2.92Å
101	A	67.5	Low	83.2	Confident	59 Å²	59	62 Å²	62	49%	0.488	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.8	168.2	0	0	0	0	0	112.3	V82 Q98 L99	V82-A101 WeakPolarHBondContact CG1-O 3.22Å; Q98-A101 WeakPolarHBondContact O-CB 3.27Å; L99-A101 PolarHBondContact O-N 2.94Å
102	C	64.4	Low	83.4	Confident	16 Å²	16	59.5 Å²	59.5	11%	0.108	31%	0.313	C	S	.	.	S	Bend	trans	-84.8	130.1	176.5	-51.3	0	0	0	0	110.2	F80 L99 T100 P106	F80-C102 PolarHBondContact O-SG 2.99Å; L99-C102 VanDerWaalsContact O-CB 3.23Å; L99-C102 WeakPolarHBondContact O-CB 3.05Å; L99-C102 PolarHBondContact O-N 3.32Å; T100-C102 PolarHBondContact O-N 2.92Å; C102-P106 HydrophobicContact CB-CB 3.89Å; C102-P106 HydrophobicContact CB-CG 4.13Å
103	K	59.8	Low	83.7	Confident	200 Å²	200	56.1 Å²	56.1	87%	0.87	29%	0.286	S	S	*	.	S	Bend	trans	-75.2	-22.1	179.1	-75.2	170.1	-175.4	173.2	0	113.9	V82	V82-K103 HydrophobicContact CG1-CB 4.14Å; V82-K103 HydrophobicContact CG1-CD 3.83Å; V82-K103 HydrophobicContact CG1-CG 3.61Å
104	S	59.4	Low	84	Confident	90 Å²	90	51.5 Å²	51.5	63%	0.629	27%	0.267	S	S	*	.	S	Bend	trans	-109.6	161.1	178.1	50.9	0	0	0	0	110.6	P106	S104-P106 WeakPolarHBondContact O-CD 3.46Å
105	Q	62.4	Low	84.2	Confident	129 Å²	129	51 Å²	51	60%	0.603	26%	0.26	S	S	*	.			trans	-56.3	109	175	-175.8	177.2	9.7	0	0	109.6	R107	Q105-R107 PolarHBondContact O-N 3.15Å
106	P	70.1	Confident	84.3	Confident	32 Å²	32	51 Å²	51	21%	0.208	26%	0.26	C	S	.	.			trans	-86.5	106.4	-164.9	27.8	-25.3	0	0	0	110.6	L99 C102 S104	L99-P106 HydrophobicContact CB-CG 3.68Å; L99-P106 HydrophobicContact CD1-CG 4.04Å; L99-P106 HydrophobicContact CD2-CB 4.12Å; L99-P106 HydrophobicContact CD2-CG 3.9Å; L99-P106 HydrophobicContact CG-CG 4.05Å; C102-P106 HydrophobicContact CB-CB 3.89Å; C102-P106 HydrophobicContact CB-CG 4.13Å; S104-P106 WeakPolarHBondContact O-CD 3.46Å
107	R	85.8	Confident	84.5	Confident	78 Å²	78	49.9 Å²	49.9	29%	0.294	26%	0.256	S	S	.	.			trans	-66.6	125.8	166.3	-172.7	171.3	179.5	178.8	-5.1	108.6	Q39 I45 Q105 Y109	Q39-R107 VanDerWaalsContact CD-NH2 3.28Å; I45-R107 VanDerWaalsContact CD1-NH2 3.29Å; I45-R107 VanDerWaalsContact CG1-NH2 3.26Å; Q105-R107 PolarHBondContact O-N 3.15Å; R107-Y109 VanDerWaalsContact O-CE2 3.27Å; R107-Y109 WeakPolarHBondContact O-CE2 3.38Å
108	L	94.8	Very high	84.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	163.4	170.1	-67.2	93.3	0	0	0	110.2	I36 Q37 V38 Q39 L59 L77 Q78 F79 L89 L99	I36-L108 HydrophobicContact CG2-CD1 3.42Å; I36-L108 VanDerWaalsContact CG2-CD1 3.42Å; Q37-L108 PolarHBondContact O-N 3.42Å; V38-L108 CarbonylContact C-O 3.6Å; V38-L108 WeakPolarHBondContact CA-O 3.46Å; V38-L108 HydrophobicContact CG2-CB 4.25Å; Q39-L108 PolarHBondContact N-O 2.91Å; L59-L108 HydrophobicContact CD2-CD1 4.43Å; L59-L108 HydrophobicContact CD2-CD2 4.06Å; L77-L108 HydrophobicContact CB-CD2 4.1Å; Q78-L108 CarbonylContact O-C 3.58Å; Q78-L108 WeakPolarHBondContact O-CA 3.44Å; Q78-L108 WeakPolarHBondContact O-CB 3.47Å; F79-L108 HydrophobicContact CB-CG 4.25Å; L89-L108 HydrophobicContact CB-CD2 4.29Å; L89-L108 HydrophobicContact CD1-CD2 4.39Å; L89-L108 HydrophobicContact CD2-CD2 3.94Å; L89-L108 HydrophobicContact CG-CD2 4.45Å; L99-L108 HydrophobicContact CD1-CD1 3.97Å; L99-L108 HydrophobicContact CD2-CD1 4.43Å
109	Y	96	Very high	84.7	Confident	43 Å²	43	43.4 Å²	43.4	17%	0.169	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	123.9	-179.6	-56.8	-99.6	0	0	0	109.1	Q39 L77 Q78 F80 R107 R137	Q39-Y109 HydrophobicContact CB-CD1 3.87Å; Q39-Y109 HydrophobicContact CB-CE1 4.3Å; Q39-Y109 HydrophobicContact CG-CD1 4.24Å; Q39-Y109 WeakPolarHBondContact O-CA 3.43Å; L77-Y109 WeakPolarHBondContact CA-O 3.44Å; Q78-Y109 PolarHBondContact N-O 2.96Å; Q78-Y109 PolarHBondContact O-N 2.81Å; F80-Y109 HydrophobicContact CD2-CD2 4.36Å; F80-Y109 AromaticContact CD2-CE2 3.67Å; F80-Y109 HydrophobicContact CD2-CE2 3.67Å; F80-Y109 HydrophobicContact CE2-CD2 4.13Å; F80-Y109 AromaticContact CE2-CE2 3.56Å; F80-Y109 HydrophobicContact CE2-CE2 3.56Å; F80-Y109 AromaticContact CE2-CZ 3.88Å; R107-Y109 VanDerWaalsContact O-CE2 3.27Å; R107-Y109 WeakPolarHBondContact O-CE2 3.38Å; Y109-R137 VanDerWaalsContact CD1-NH2 3.31Å
110	F	97.9	Very high	84.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	121	166.6	-172.1	-105.2	0	0	0	108.5	V38 Q39 L40 L41 V63 F64 L67 F75 L77 L130	V38-F110 HydrophobicContact CG1-CB 4.24Å; Q39-F110 PolarHBondContact O-N 3.2Å; L40-F110 HydrophobicContact CD2-CB 4.13Å; L41-F110 HydrophobicContact CD1-CD1 3.66Å; L41-F110 HydrophobicContact CD1-CE1 3.84Å; L41-F110 WeakPolarHBondContact CD2-O 3.42Å; L41-F110 HydrophobicContact CG-CD1 3.9Å; L41-F110 WeakPolarHBondContact CG-O 3.48Å; V63-F110 HydrophobicContact CG1-CD2 3.65Å; V63-F110 HydrophobicContact CG1-CE2 3.96Å; V63-F110 HydrophobicContact CG1-CG 4.44Å; F64-F110 HydrophobicContact CD1-CE2 4.05Å; F64-F110 AromaticContact CE1-CE2 3.77Å; F64-F110 HydrophobicContact CE1-CE2 3.77Å; F64-F110 HydrophobicContact CE1-CZ 4.37Å; L67-F110 HydrophobicContact CD1-CD1 3.89Å; L67-F110 HydrophobicContact CD1-CD2 4.04Å; L67-F110 HydrophobicContact CD1-CE1 3.57Å; L67-F110 HydrophobicContact CD1-CE2 3.72Å; L67-F110 HydrophobicContact CD1-CG 4.12Å; L67-F110 HydrophobicContact CD1-CZ 3.47Å; L67-F110 VanDerWaalsContact CD1-CZ 3.47Å; F75-F110 HydrophobicContact CB-CE1 4.43Å; F75-F110 HydrophobicContact CB-CE2 3.77Å; F75-F110 HydrophobicContact CB-CZ 3.64Å; F75-F110 HydrophobicContact CD1-CD1 4.48Å; F75-F110 AromaticContact CD1-CE1 3.59Å; F75-F110 HydrophobicContact CD1-CE1 3.59Å; F75-F110 HydrophobicContact CD1-CE2 4.44Å; F75-F110 AromaticContact CD1-CZ 3.56Å; F75-F110 HydrophobicContact CD1-CZ 3.56Å; F75-F110 HydrophobicContact CD2-CZ 4.11Å; F75-F110 HydrophobicContact CE1-CE1 4Å; F75-F110 HydrophobicContact CE1-CZ 4.24Å; F75-F110 HydrophobicContact CG-CE1 4.03Å; F75-F110 HydrophobicContact CG-CE2 4.16Å; F75-F110 AromaticContact CG-CZ 3.49Å; F75-F110 HydrophobicContact CG-CZ 3.49Å; F75-F110 VanDerWaalsContact CG-CZ 3.49Å; L77-F110 HydrophobicContact CD2-CB 4.36Å; L77-F110 HydrophobicContact CD2-CD2 4.26Å; F110-L130 HydrophobicContact CE1-CD1 4.22Å; F110-L130 HydrophobicContact CE1-CD2 4.37Å
111	I	97.3	Very high	85.3	Confident	8 Å²	8	45 Å²	45	4%	0.041	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	144.3	-169	-66.9	-175	0	0	0	109.1	G76 Q78 W88 K113	G76-I111 PolarHBondContact N-O 2.84Å; G76-I111 PolarHBondContact O-N 3.38Å; Q78-I111 HydrophobicContact CB-CD1 4.19Å; Q78-I111 HydrophobicContact CG-CB 4.48Å; Q78-I111 HydrophobicContact CG-CD1 4.17Å; W88-I111 HydrophobicContact CH2-CB 4.41Å; W88-I111 HydrophobicContact CH2-CG2 4.13Å; W88-I111 HydrophobicContact CZ3-CB 4.41Å; I111-K113 PolarHBondContact O-N 2.9Å
112	V	97.7	Very high	86.5	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	124.5	171.1	177	0	0	0	0	109.9	F75 Y115 F131 Q134	F75-V112 HydrophobicContact CD1-CG2 4.07Å; F75-V112 HydrophobicContact CE1-CG2 3.82Å; V112-Y115 HydrophobicContact CB-CE2 4.11Å; V112-Y115 HydrophobicContact CG1-CD2 3.83Å; V112-Y115 HydrophobicContact CG1-CE2 3.9Å; V112-Y115 HydrophobicContact CG1-CG 4.15Å; V112-Y115 WeakPolarHBondContact O-CE2 3.32Å; V112-F131 HydrophobicContact CG1-CD1 4.35Å; V112-F131 HydrophobicContact CG1-CE1 3.69Å; V112-F131 HydrophobicContact CG1-CE2 4.2Å; V112-F131 HydrophobicContact CG1-CZ 3.61Å; V112-F131 HydrophobicContact CG2-CD1 4.37Å; V112-F131 HydrophobicContact CG2-CD2 4.11Å; V112-F131 HydrophobicContact CG2-CE1 4.42Å; V112-F131 HydrophobicContact CG2-CE2 4.17Å; V112-F131 HydrophobicContact CG2-CG 4.23Å; V112-F131 HydrophobicContact CG2-CZ 4.33Å; V112-Q134 HydrophobicContact CB-CB 4.42Å; V112-Q134 HydrophobicContact CB-CG 3.89Å; V112-Q134 HydrophobicContact CG2-CB 3.69Å; V112-Q134 HydrophobicContact CG2-CG 3.73Å
113	K	96.9	Very high	87.7	Confident	24 Å²	24	45.5 Å²	45.5	10%	0.104	23%	0.23	C	C	.	.	S	Bend	trans	-93	-39.4	179.4	-179.7	169.4	-177.7	176.2	0	112.8	Y74 W88 I111 E309	Y74-K113 WeakPolarHBondContact O-CA 3.23Å; Y74-K113 WeakPolarHBondContact O-CB 3.48Å; Y74-K113 PolarHBondContact O-N 3.36Å; W88-K113 HydrophobicContact CD2-CD 4.3Å; W88-K113 HydrophobicContact CD2-CG 4.49Å; W88-K113 HydrophobicContact CE3-CD 4.5Å; W88-K113 VanDerWaalsContact CH2-CA 3.44Å; W88-K113 HydrophobicContact CH2-CB 3.52Å; W88-K113 HydrophobicContact CH2-CD 4.5Å; W88-K113 HydrophobicContact CH2-CG 3.9Å; W88-K113 HydrophobicContact CZ2-CB 3.74Å; W88-K113 HydrophobicContact CZ2-CD 4.29Å; W88-K113 HydrophobicContact CZ2-CG 3.6Å; W88-K113 HydrophobicContact CZ3-CB 4.08Å; W88-K113 HydrophobicContact CZ3-CG 4.45Å; I111-K113 PolarHBondContact O-N 2.9Å; K113-E309 WeakPolarHBondContact CE-OE2 3.25Å; K113-E309 IonicContact NZ-OE1 2.61Å; K113-E309 PolarHBondContact NZ-OE1 3.45Å; K113-E309 IonicContact NZ-OE2 3.03Å; K113-E309 PolarHBondContact NZ-OE2 3.21Å
114	F	97	Very high	89.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-123.1	109.8	-178.4	-59	-55.6	0	0	0	109.8	D73 Y74 T116 E309 H310 F313 F314 Y338	D73-F114 WeakPolarHBondContact O-CD2 3.4Å; D73-F114 WeakPolarHBondContact O-CE2 3.49Å; Y74-F114 HydrophobicContact CD1-CB 4.34Å; Y74-F114 PolarHBondContact O-N 2.68Å; F114-T116 PolarHBondContact O-N 2.83Å; F114-E309 HydrophobicContact CE1-CB 4.12Å; F114-E309 HydrophobicContact CZ-CB 4.03Å; F114-H310 AromaticContact CD1-CD2 3.94Å; F114-H310 AromaticContact CD1-CE1 3.84Å; F114-H310 AromaticContact CD1-NE2 3.78Å; F114-H310 AromaticContact CE1-CE1 3.87Å; F114-H310 AromaticContact CE1-ND1 3.75Å; F114-F313 HydrophobicContact CB-CD1 3.68Å; F114-F313 HydrophobicContact CB-CE1 3.65Å; F114-F313 HydrophobicContact CB-CG 4.49Å; F114-F313 HydrophobicContact CB-CZ 4.45Å; F114-F313 HydrophobicContact CD1-CB 4.38Å; F114-F313 HydrophobicContact CD1-CD1 4.21Å; F114-F313 HydrophobicContact CD1-CG 4.42Å; F114-F313 HydrophobicContact CD2-CB 4.07Å; F114-F313 AromaticContact CD2-CD1 3.55Å; F114-F313 HydrophobicContact CD2-CD1 3.55Å; F114-F313 AromaticContact CD2-CD2 3.77Å; F114-F313 HydrophobicContact CD2-CD2 3.77Å; F114-F313 AromaticContact CD2-CE1 3.86Å; F114-F313 HydrophobicContact CD2-CE1 3.86Å; F114-F313 HydrophobicContact CD2-CE2 4.07Å; F114-F313 AromaticContact CD2-CG 3.5Å; F114-F313 HydrophobicContact CD2-CG 3.5Å; F114-F313 VanDerWaalsContact CD2-CG 3.5Å; F114-F313 HydrophobicContact CD2-CZ 4.11Å; F114-F313 HydrophobicContact CE1-CB 4.12Å; F114-F313 HydrophobicContact CE2-CB 3.81Å; F114-F313 HydrophobicContact CE2-CD1 4.17Å; F114-F313 AromaticContact CE2-CD2 3.81Å; F114-F313 HydrophobicContact CE2-CD2 3.81Å; F114-F313 HydrophobicContact CE2-CE2 4.45Å; F114-F313 AromaticContact CE2-CG 3.65Å; F114-F313 HydrophobicContact CE2-CG 3.65Å; F114-F313 HydrophobicContact CG-CB 4.35Å; F114-F313 AromaticContact CG-CD1 3.57Å; F114-F313 HydrophobicContact CG-CD1 3.57Å; F114-F313 AromaticContact CG-CE1 3.97Å; F114-F313 HydrophobicContact CG-CE1 3.97Å; F114-F313 AromaticContact CG-CG 3.92Å; F114-F313 HydrophobicContact CG-CG 3.92Å; F114-F313 HydrophobicContact CZ-CB 3.82Å; F114-F313 HydrophobicContact CZ-CG 4.17Å; F114-F314 HydrophobicContact CB-CE2 3.8Å; F114-F314 HydrophobicContact CB-CZ 3.73Å; F114-F314 HydrophobicContact CD1-CE2 4.05Å; F114-F314 HydrophobicContact CG-CE2 4.21Å; F114-Y338 AromaticContact CE2-CE2 3.79Å; F114-Y338 HydrophobicContact CE2-CE2 3.79Å; F114-Y338 AromaticContact CE2-CZ 3.83Å; F114-Y338 HydrophobicContact CZ-CD2 4.36Å; F114-Y338 AromaticContact CZ-CE2 3.78Å; F114-Y338 HydrophobicContact CZ-CE2 3.78Å
115	Y	97.2	Very high	90.6	Very high	17 Å²	17	35.8 Å²	35.8	7%	0.067	18%	0.178	C	C	.	.			trans	-84	112.2	-179.8	-72.2	-113.8	0	0	0	109.7	V112 Q134 I135 D138 Y223 K226 H244	V112-Y115 HydrophobicContact CB-CE2 4.11Å; V112-Y115 HydrophobicContact CG1-CD2 3.83Å; V112-Y115 HydrophobicContact CG1-CE2 3.9Å; V112-Y115 HydrophobicContact CG1-CG 4.15Å; V112-Y115 WeakPolarHBondContact O-CE2 3.32Å; Y115-Q134 HydrophobicContact CE1-CG 4.11Å; Y115-Q134 WeakPolarHBondContact OH-CG 3.4Å; Y115-I135 HydrophobicContact CE1-CD1 4.36Å; Y115-D138 PolarHBondContact OH-OD2 3.05Å; Y115-Y223 HydrophobicContact CD1-CE1 4.19Å; Y115-Y223 HydrophobicContact CD1-CE2 4.16Å; Y115-Y223 AromaticContact CD1-CZ 3.93Å; Y115-K226 VanDerWaalsContact OH-CE 3.24Å; Y115-K226 WeakPolarHBondContact OH-CE 3.21Å; Y115-K226 PolarHBondContact OH-NZ 2.91Å; Y115-H244 PolarHBondContact O-ND1 3.17Å
116	T	94.7	Very high	92.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.			trans	-59.7	142	178	178	0	0	0	0	112.1	F114 N118 D121 L122 F131 Y223	F114-T116 PolarHBondContact O-N 2.83Å; T116-N118 VanDerWaalsContact C-N 3.27Å; T116-N118 WeakPolarHBondContact CG2-O 3.25Å; T116-N118 PolarHBondContact OG1-N 3.02Å; T116-N118 VanDerWaalsContact OG1-N 3.12Å; T116-N118 PolarHBondContact OG1-O 2.78Å; T116-D121 PolarHBondContact OG1-OD2 3.38Å; T116-L122 HydrophobicContact CG2-CD1 4.1Å; T116-L122 HydrophobicContact CG2-CD2 4.01Å; T116-L122 HydrophobicContact CG2-CG 4Å; T116-F131 HydrophobicContact CG2-CE1 4Å; T116-F131 HydrophobicContact CG2-CZ 4.49Å; T116-Y223 WeakPolarHBondContact O-CE1 3.32Å; T116-Y223 PolarHBondContact O-OH 3.03Å
117	P	93.1	Very high	93.3	Very high	33 Å²	33	30.1 Å²	30.1	21%	0.214	15%	0.148	C	C	.	.	S	Bend	trans	-65.5	-27.8	168.4	26.8	-34	0	0	0	113.6	R218	P117-R218 PolarHBondContact O-NH1 2.78Å
118	N	91.9	Very high	93.7	Very high	60 Å²	60	28.7 Å²	28.7	32%	0.321	14%	0.142	S	C	.	.			trans	-132.5	123.9	-173.7	-49	-56.7	0	0	0	110.5	T116 V120 D121 R218	T116-N118 VanDerWaalsContact C-N 3.27Å; T116-N118 WeakPolarHBondContact CG2-O 3.25Å; T116-N118 PolarHBondContact OG1-N 3.02Å; T116-N118 VanDerWaalsContact OG1-N 3.12Å; T116-N118 PolarHBondContact OG1-O 2.78Å; N118-V120 HydrophobicContact CB-CG2 3.93Å; N118-V120 PolarHBondContact O-N 2.9Å; N118-V120 VanDerWaalsContact O-N 3.17Å; N118-D121 WeakPolarHBondContact CB-OD1 2.99Å; N118-D121 PolarHBondContact ND2-OD2 2.93Å; N118-D121 WeakPolarHBondContact O-CB 3.16Å; N118-D121 PolarHBondContact O-N 2.8Å; N118-R218 PolarHBondContact OD1-NH1 3.47Å
119	P	91	Very high	93.8	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.013	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-64.2	-19.4	178.7	-23	34.6	0	0	0	114	D121 L122 L214 E215 R218	P119-D121 VanDerWaalsContact C-N 3.27Å; P119-L122 PolarHBondContact O-N 3.33Å; P119-L214 HydrophobicContact CB-CB 3.79Å; P119-L214 HydrophobicContact CB-CD1 4.18Å; P119-L214 HydrophobicContact CG-CB 3.58Å; P119-E215 WeakPolarHBondContact CD-OE1 3.36Å; P119-R218 VanDerWaalsContact CD-CD 3.44Å
120	V	88.1	Confident	93.9	Very high	112 Å²	112	28 Å²	28	68%	0.679	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	-75.1	-11.5	174.4	-63	0	0	0	0	113.6	N118 L122	N118-V120 HydrophobicContact CB-CG2 3.93Å; N118-V120 PolarHBondContact O-N 2.9Å; N118-V120 VanDerWaalsContact O-N 3.17Å; V120-L122 PolarHBondContact O-N 2.78Å
121	D	89.1	Confident	93.9	Very high	41 Å²	41	28.1 Å²	28.1	22%	0.219	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-79.9	1.5	172.3	-54.2	-8.7	0	0	0	112.2	Y74 T116 N118 P119 Q343	Y74-D121 PolarHBondContact OH-O 2.77Å; T116-D121 PolarHBondContact OG1-OD2 3.38Å; N118-D121 WeakPolarHBondContact CB-OD1 2.99Å; N118-D121 PolarHBondContact ND2-OD2 2.93Å; N118-D121 WeakPolarHBondContact O-CB 3.16Å; N118-D121 PolarHBondContact O-N 2.8Å; P119-D121 VanDerWaalsContact C-N 3.27Å; D121-Q343 PolarHBondContact OD2-NE2 2.93Å
122	L	92.6	Very high	93.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.14	C	C	.	.			trans	-104.7	106.5	174.7	-51.8	178.2	0	0	0	107.7	Y74 T116 P119 V120 T127 R128 F131	Y74-L122 HydrophobicContact CD1-CD2 4.48Å; Y74-L122 HydrophobicContact CD2-CD2 3.83Å; Y74-L122 HydrophobicContact CE1-CD2 4.08Å; Y74-L122 HydrophobicContact CE2-CD2 3.36Å; Y74-L122 HydrophobicContact CG-CD2 4.38Å; T116-L122 HydrophobicContact CG2-CD1 4.1Å; T116-L122 HydrophobicContact CG2-CD2 4.01Å; T116-L122 HydrophobicContact CG2-CG 4Å; P119-L122 PolarHBondContact O-N 3.33Å; V120-L122 PolarHBondContact O-N 2.78Å; L122-T127 HydrophobicContact CB-CG2 4.2Å; L122-T127 HydrophobicContact CD1-CG2 4.31Å; L122-T127 HydrophobicContact CD2-CG2 3.95Å; L122-T127 HydrophobicContact CG-CG2 4.37Å; L122-R128 HydrophobicContact CB-CG 3.79Å; L122-R128 HydrophobicContact CD1-CG 4.15Å; L122-R128 PolarHBondContact O-NH1 2.96Å; L122-F131 HydrophobicContact CD1-CB 4.13Å; L122-F131 HydrophobicContact CD1-CD1 4.02Å; L122-F131 HydrophobicContact CD1-CD2 3.69Å; L122-F131 HydrophobicContact CD1-CE1 4.3Å; L122-F131 HydrophobicContact CD1-CE2 3.99Å; L122-F131 HydrophobicContact CD1-CG 3.69Å; L122-F131 HydrophobicContact CD1-CZ 4.28Å; L122-F131 HydrophobicContact CD2-CD2 4.43Å; L122-F131 HydrophobicContact CD2-CE2 3.91Å; L122-F131 HydrophobicContact CD2-CZ 4.03Å
123	E	88.9	Confident	93.9	Very high	83 Å²	83	28.3 Å²	28.3	39%	0.388	14%	0.142	S	C	.	.			trans	-74.1	-41.5	-171.2	-60.1	-82.7	-169.1	0	0	111.4	E71 R128 L350	E71-E123 PolarHBondContact OE1-N 2.73Å; E71-E123 PolarHBondContact OE2-N 2.88Å; E123-R128 VanDerWaalsContact C-NH1 3.29Å; E123-R128 PolarHBondContact O-NH1 2.82Å; E123-L350 HydrophobicContact CB-CD1 4.1Å; E123-L350 HydrophobicContact CG-CB 4.27Å; E123-L350 HydrophobicContact CG-CD1 3.79Å
124	E	89.8	Confident	94	Very high	37 Å²	37	27.3 Å²	27.3	17%	0.173	14%	0.138	C	C	.	.	S	Bend	trans	-84.4	137.5	-176.6	-64.5	-87.9	88.8	0	0	112.2	I70 E71 Y126 T127 R128 R357	I70-E124 HydrophobicContact CD1-CG 3.94Å; I70-E124 WeakPolarHBondContact CD1-OE2 3.35Å; I70-E124 HydrophobicContact CG1-CG 4.34Å; E71-E124 HydrophobicContact CG-CG 4.4Å; E71-E124 WeakPolarHBondContact OE2-CB 3.23Å; E71-E124 PolarHBondContact OE2-N 2.75Å; E124-Y126 VanDerWaalsContact C-N 3.26Å; E124-Y126 PolarHBondContact O-N 2.96Å; E124-T127 WeakPolarHBondContact O-CB 3.38Å; E124-T127 PolarHBondContact O-N 3.02Å; E124-T127 VanDerWaalsContact O-N 3.16Å; E124-R128 PolarHBondContact O-N 3.31Å; E124-R357 IonicContact OE2-NH1 2.73Å
125	E	91.1	Very high	94	Very high	49 Å²	49	27.4 Å²	27.4	23%	0.229	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-36.5	174.6	-168.1	-178.5	125.2	0	0	112.4	T127 R128 Y129 A207 F360	E125-T127 VanDerWaalsContact C-N 3.3Å; E125-T127 PolarHBondContact O-N 2.85Å; E125-R128 WeakPolarHBondContact O-CB 3.42Å; E125-R128 PolarHBondContact O-N 2.75Å; E125-R128 VanDerWaalsContact O-N 3.13Å; E125-Y129 PolarHBondContact O-N 3.45Å; E125-A207 HydrophobicContact CG-CB 4.18Å; E125-F360 HydrophobicContact CG-CD1 4.29Å; E125-F360 HydrophobicContact CG-CE1 4.41Å
126	Y	93.2	Very high	94	Very high	41 Å²	41	29.1 Å²	29.1	16%	0.161	15%	0.146	C	C	.	.	H	α-helix	trans	-65	-33.7	177.7	-172.5	-118.6	0	0	0	112.5	L67 V69 E124 Y129 L130 F360	L67-Y126 HydrophobicContact CB-CE1 4.39Å; L67-Y126 WeakPolarHBondContact O-CE1 3.31Å; V69-Y126 HydrophobicContact CG2-CD1 4.02Å; V69-Y126 HydrophobicContact CG2-CE1 3.66Å; E124-Y126 VanDerWaalsContact C-N 3.26Å; E124-Y126 PolarHBondContact O-N 2.96Å; Y126-Y129 AromaticContact CD2-CD1 3.92Å; Y126-Y129 HydrophobicContact CD2-CD1 3.92Å; Y126-Y129 AromaticContact CE2-CD1 3.85Å; Y126-Y129 HydrophobicContact CE2-CD1 3.85Å; Y126-Y129 HydrophobicContact CE2-CE1 4.31Å; Y126-Y129 PolarHBondContact O-N 3.38Å; Y126-L130 HydrophobicContact CD1-CD1 3.97Å; Y126-L130 HydrophobicContact CE1-CD1 3.62Å; Y126-L130 HydrophobicContact CE1-CG 4.17Å; Y126-L130 HydrophobicContact CE2-CG 4.43Å; Y126-L130 WeakPolarHBondContact O-CG 3.1Å; Y126-L130 PolarHBondContact O-N 3.45Å; Y126-F360 AromaticContact CD2-CD2 3.39Å; Y126-F360 HydrophobicContact CD2-CD2 3.39Å; Y126-F360 AromaticContact CD2-CE2 3.54Å; Y126-F360 HydrophobicContact CD2-CE2 3.54Å; Y126-F360 AromaticContact CD2-CG 3.93Å; Y126-F360 HydrophobicContact CD2-CG 3.93Å; Y126-F360 HydrophobicContact CD2-CZ 4.18Å; Y126-F360 AromaticContact CE2-CD2 3.97Å; Y126-F360 HydrophobicContact CE2-CD2 3.97Å; Y126-F360 AromaticContact CE2-CE2 3.91Å; Y126-F360 HydrophobicContact CE2-CE2 3.91Å; Y126-F360 HydrophobicContact CG-CD2 4.31Å; Y126-F360 HydrophobicContact CG-CG 4.5Å
127	T	94.7	Very high	94.1	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-44.1	171.8	-53.1	0	0	0	0	110.7	E71 Y74 F75 L122 E124 E125 Y129 L130 F131	E71-T127 HydrophobicContact CB-CG2 3.9Å; E71-T127 WeakPolarHBondContact CB-OG1 3.39Å; E71-T127 VanDerWaalsContact CD-OG1 3.28Å; E71-T127 HydrophobicContact CG-CG2 4.36Å; E71-T127 WeakPolarHBondContact CG-OG1 3.45Å; E71-T127 WeakPolarHBondContact OE2-CB 3.37Å; E71-T127 PolarHBondContact OE2-OG1 3.45Å; Y74-T127 HydrophobicContact CD2-CG2 4.37Å; F75-T127 HydrophobicContact CE2-CG2 4.08Å; F75-T127 HydrophobicContact CZ-CG2 4.08Å; L122-T127 HydrophobicContact CB-CG2 4.2Å; L122-T127 HydrophobicContact CD1-CG2 4.31Å; L122-T127 HydrophobicContact CD2-CG2 3.95Å; L122-T127 HydrophobicContact CG-CG2 4.37Å; E124-T127 WeakPolarHBondContact O-CB 3.38Å; E124-T127 PolarHBondContact O-N 3.02Å; E124-T127 VanDerWaalsContact O-N 3.16Å; E125-T127 VanDerWaalsContact C-N 3.3Å; E125-T127 PolarHBondContact O-N 2.85Å; T127-Y129 VanDerWaalsContact C-N 3.31Å; T127-Y129 PolarHBondContact O-N 2.68Å; T127-L130 PolarHBondContact O-N 2.95Å; T127-F131 HydrophobicContact CG2-CD2 4.03Å; T127-F131 HydrophobicContact CG2-CE2 4.04Å; T127-F131 WeakPolarHBondContact O-CD2 3.23Å; T127-F131 PolarHBondContact O-N 2.84Å
128	R	95.9	Very high	94.4	Very high	47 Å²	47	30.4 Å²	30.4	18%	0.177	15%	0.147	C	C	.	.	H	α-helix	trans	-59.8	-40.4	175.2	-64.3	-173.3	-67.5	-90.4	2.5	111.6	L122 E123 E124 E125 F131 A132 L214	L122-R128 HydrophobicContact CB-CG 3.79Å; L122-R128 HydrophobicContact CD1-CG 4.15Å; L122-R128 PolarHBondContact O-NH1 2.96Å; E123-R128 VanDerWaalsContact C-NH1 3.29Å; E123-R128 PolarHBondContact O-NH1 2.82Å; E124-R128 PolarHBondContact O-N 3.31Å; E125-R128 WeakPolarHBondContact O-CB 3.42Å; E125-R128 PolarHBondContact O-N 2.75Å; E125-R128 VanDerWaalsContact O-N 3.13Å; R128-F131 PolarHBondContact O-N 3.14Å; R128-A132 PolarHBondContact O-N 3Å; R128-L214 HydrophobicContact CB-CD1 4.34Å
129	Y	96.2	Very high	94.6	Very high	25 Å²	25	27.7 Å²	27.7	10%	0.098	13%	0.132	C	C	.	.	H	α-helix	trans	-63.1	-46.4	173.7	173.9	-125.4	0	0	0	113.3	E125 Y126 T127 F131 A132 L133 D210 F360	E125-Y129 PolarHBondContact O-N 3.45Å; Y126-Y129 AromaticContact CD2-CD1 3.92Å; Y126-Y129 HydrophobicContact CD2-CD1 3.92Å; Y126-Y129 AromaticContact CE2-CD1 3.85Å; Y126-Y129 HydrophobicContact CE2-CD1 3.85Å; Y126-Y129 HydrophobicContact CE2-CE1 4.31Å; Y126-Y129 PolarHBondContact O-N 3.38Å; T127-Y129 VanDerWaalsContact C-N 3.31Å; T127-Y129 PolarHBondContact O-N 2.68Å; Y129-F131 VanDerWaalsContact C-N 3.28Å; Y129-F131 PolarHBondContact O-N 2.99Å; Y129-A132 WeakPolarHBondContact O-CA 3.39Å; Y129-A132 WeakPolarHBondContact O-CB 3.49Å; Y129-A132 PolarHBondContact O-N 3.24Å; Y129-L133 HydrophobicContact CD1-CD1 4.22Å; Y129-L133 HydrophobicContact CD2-CD1 4.4Å; Y129-L133 HydrophobicContact CD2-CG 4.23Å; Y129-L133 HydrophobicContact CE1-CD1 3.74Å; Y129-L133 HydrophobicContact CE2-CD1 3.93Å; Y129-L133 HydrophobicContact CE2-CD2 4.05Å; Y129-L133 HydrophobicContact CE2-CG 3.82Å; Y129-L133 PolarHBondContact O-N 2.91Å; Y129-D210 WeakPolarHBondContact CA-OD2 3.22Å; Y129-F360 HydrophobicContact CD1-CE1 4.39Å; Y129-F360 AromaticContact CD1-CE2 3.62Å; Y129-F360 HydrophobicContact CD1-CE2 3.62Å; Y129-F360 AromaticContact CD1-CZ 3.36Å; Y129-F360 HydrophobicContact CD1-CZ 3.36Å; Y129-F360 HydrophobicContact CD2-CZ 4.27Å; Y129-F360 AromaticContact CE1-CE2 3.9Å; Y129-F360 HydrophobicContact CE1-CE2 3.9Å; Y129-F360 AromaticContact CE1-CZ 3.88Å; Y129-F360 HydrophobicContact CE1-CZ 3.88Å; Y129-F360 HydrophobicContact CG-CE1 4.29Å; Y129-F360 HydrophobicContact CG-CE2 4.3Å; Y129-F360 AromaticContact CG-CZ 3.57Å; Y129-F360 HydrophobicContact CG-CZ 3.57Å
130	L	97.4	Very high	94.9	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-62.1	-36.9	175.9	-69	170.6	0	0	0	111.8	L41 V69 F75 F110 Y126 T127 L133 Q134	L41-L130 HydrophobicContact CB-CD2 4.25Å; L41-L130 HydrophobicContact CD1-CB 4.13Å; L41-L130 HydrophobicContact CD1-CD2 4.22Å; V69-L130 HydrophobicContact CG2-CD1 3.56Å; F75-L130 HydrophobicContact CE1-CB 3.74Å; F75-L130 HydrophobicContact CE1-CD1 4.17Å; F75-L130 HydrophobicContact CE2-CD1 4.36Å; F75-L130 HydrophobicContact CZ-CB 3.72Å; F75-L130 HydrophobicContact CZ-CD1 3.79Å; F75-L130 HydrophobicContact CZ-CG 4.43Å; F110-L130 HydrophobicContact CE1-CD1 4.22Å; F110-L130 HydrophobicContact CE1-CD2 4.37Å; Y126-L130 HydrophobicContact CD1-CD1 3.97Å; Y126-L130 HydrophobicContact CE1-CD1 3.62Å; Y126-L130 HydrophobicContact CE1-CG 4.17Å; Y126-L130 HydrophobicContact CE2-CG 4.43Å; Y126-L130 WeakPolarHBondContact O-CG 3.1Å; Y126-L130 PolarHBondContact O-N 3.45Å; T127-L130 PolarHBondContact O-N 2.95Å; L130-L133 HydrophobicContact CD2-CD1 4.44Å; L130-Q134 PolarHBondContact O-N 2.98Å
131	F	98	Very high	95.2	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.009	13%	0.128	C	C	.	.	H	α-helix	trans	-65.4	-39.9	170.5	-92.4	-106.8	0	0	0	112.3	Y74 F75 V112 T116 L122 T127 R128 Y129 Q134 I135 L214	Y74-F131 HydrophobicContact CD1-CZ 4.12Å; Y74-F131 HydrophobicContact CD2-CE2 4.45Å; Y74-F131 HydrophobicContact CG-CE2 4.13Å; Y74-F131 HydrophobicContact CG-CZ 4.07Å; F75-F131 HydrophobicContact CE1-CD2 4.35Å; F75-F131 HydrophobicContact CE1-CE2 4.39Å; F75-F131 HydrophobicContact CZ-CD2 4.05Å; F75-F131 HydrophobicContact CZ-CE2 4.04Å; V112-F131 HydrophobicContact CG1-CD1 4.35Å; V112-F131 HydrophobicContact CG1-CE1 3.69Å; V112-F131 HydrophobicContact CG1-CE2 4.2Å; V112-F131 HydrophobicContact CG1-CZ 3.61Å; V112-F131 HydrophobicContact CG2-CD1 4.37Å; V112-F131 HydrophobicContact CG2-CD2 4.11Å; V112-F131 HydrophobicContact CG2-CE1 4.42Å; V112-F131 HydrophobicContact CG2-CE2 4.17Å; V112-F131 HydrophobicContact CG2-CG 4.23Å; V112-F131 HydrophobicContact CG2-CZ 4.33Å; T116-F131 HydrophobicContact CG2-CE1 4Å; T116-F131 HydrophobicContact CG2-CZ 4.49Å; L122-F131 HydrophobicContact CD1-CB 4.13Å; L122-F131 HydrophobicContact CD1-CD1 4.02Å; L122-F131 HydrophobicContact CD1-CD2 3.69Å; L122-F131 HydrophobicContact CD1-CE1 4.3Å; L122-F131 HydrophobicContact CD1-CE2 3.99Å; L122-F131 HydrophobicContact CD1-CG 3.69Å; L122-F131 HydrophobicContact CD1-CZ 4.28Å; L122-F131 HydrophobicContact CD2-CD2 4.43Å; L122-F131 HydrophobicContact CD2-CE2 3.91Å; L122-F131 HydrophobicContact CD2-CZ 4.03Å; T127-F131 HydrophobicContact CG2-CD2 4.03Å; T127-F131 HydrophobicContact CG2-CE2 4.04Å; T127-F131 WeakPolarHBondContact O-CD2 3.23Å; T127-F131 PolarHBondContact O-N 2.84Å; R128-F131 PolarHBondContact O-N 3.14Å; Y129-F131 VanDerWaalsContact C-N 3.28Å; Y129-F131 PolarHBondContact O-N 2.99Å; F131-Q134 WeakPolarHBondContact O-CB 3.3Å; F131-Q134 PolarHBondContact O-N 3.32Å; F131-I135 WeakPolarHBondContact O-CG1 3.27Å; F131-I135 PolarHBondContact O-N 2.98Å; F131-L214 HydrophobicContact CB-CD1 3.92Å; F131-L214 HydrophobicContact CB-CD2 3.88Å
132	A	97.8	Very high	95.5	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.033	13%	0.132	C	C	.	.	H	α-helix	trans	-61.5	-43.4	175.4	0	0	0	0	0	111.9	R128 Y129 Q134 I135 K136 D210 L213	R128-A132 PolarHBondContact O-N 3Å; Y129-A132 WeakPolarHBondContact O-CA 3.39Å; Y129-A132 WeakPolarHBondContact O-CB 3.49Å; Y129-A132 PolarHBondContact O-N 3.24Å; A132-Q134 PolarHBondContact O-N 2.97Å; A132-I135 PolarHBondContact O-N 3.09Å; A132-I135 VanDerWaalsContact O-N 3.15Å; A132-K136 PolarHBondContact O-N 3.02Å; A132-D210 HydrophobicContact CB-CB 3.97Å; A132-L213 HydrophobicContact CB-CD2 3.77Å
133	L	97.5	Very high	95.6	Very high	11 Å²	11	28 Å²	28	6%	0.058	14%	0.142	C	C	.	.	H	α-helix	trans	-61.5	-40.4	172.5	-71	173.5	0	0	0	112.7	L41 D42 Y129 L130 I135 K136 R137	L41-L133 HydrophobicContact CB-CB 3.94Å; L41-L133 HydrophobicContact CB-CD1 4.11Å; D42-L133 HydrophobicContact CB-CD1 4.14Å; Y129-L133 HydrophobicContact CD1-CD1 4.22Å; Y129-L133 HydrophobicContact CD2-CD1 4.4Å; Y129-L133 HydrophobicContact CD2-CG 4.23Å; Y129-L133 HydrophobicContact CE1-CD1 3.74Å; Y129-L133 HydrophobicContact CE2-CD1 3.93Å; Y129-L133 HydrophobicContact CE2-CD2 4.05Å; Y129-L133 HydrophobicContact CE2-CG 3.82Å; Y129-L133 PolarHBondContact O-N 2.91Å; L130-L133 HydrophobicContact CD2-CD1 4.44Å; L133-I135 VanDerWaalsContact C-N 3.3Å; L133-I135 PolarHBondContact O-N 3.44Å; L133-K136 WeakPolarHBondContact O-CB 3.28Å; L133-K136 PolarHBondContact O-N 2.93Å; L133-R137 WeakPolarHBondContact O-CB 3.25Å; L133-R137 PolarHBondContact O-N 3.46Å
134	Q	98.1	Very high	95.9	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-60.8	-39.5	172.5	-177.6	71.3	64.9	0	0	111.9	L41 V112 Y115 L130 F131 A132 R137 D138	L41-Q134 HydrophobicContact CD2-CB 4.19Å; V112-Q134 HydrophobicContact CB-CB 4.42Å; V112-Q134 HydrophobicContact CB-CG 3.89Å; V112-Q134 HydrophobicContact CG2-CB 3.69Å; V112-Q134 HydrophobicContact CG2-CG 3.73Å; Y115-Q134 HydrophobicContact CE1-CG 4.11Å; Y115-Q134 WeakPolarHBondContact OH-CG 3.4Å; L130-Q134 PolarHBondContact O-N 2.98Å; F131-Q134 WeakPolarHBondContact O-CB 3.3Å; F131-Q134 PolarHBondContact O-N 3.32Å; A132-Q134 PolarHBondContact O-N 2.97Å; Q134-R137 PolarHBondContact O-N 3.42Å; Q134-D138 PolarHBondContact NE2-OD1 2.81Å; Q134-D138 WeakPolarHBondContact O-CB 3.48Å; Q134-D138 PolarHBondContact O-N 2.8Å
135	I	98.2	Very high	96.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-70.3	-39.3	177.2	-67.1	-50.3	0	0	0	111.8	Y115 F131 A132 L133 R137 D138 L139 L144 L213 L214 A217 Y223	Y115-I135 HydrophobicContact CE1-CD1 4.36Å; F131-I135 WeakPolarHBondContact O-CG1 3.27Å; F131-I135 PolarHBondContact O-N 2.98Å; A132-I135 PolarHBondContact O-N 3.09Å; A132-I135 VanDerWaalsContact O-N 3.15Å; L133-I135 VanDerWaalsContact C-N 3.3Å; L133-I135 PolarHBondContact O-N 3.44Å; I135-R137 VanDerWaalsContact C-N 3.33Å; I135-R137 PolarHBondContact O-N 3.16Å; I135-D138 PolarHBondContact O-N 2.87Å; I135-L139 VanDerWaalsContact O-CB 3.28Å; I135-L139 WeakPolarHBondContact O-CB 3.42Å; I135-L139 PolarHBondContact O-N 2.83Å; I135-L144 HydrophobicContact CD1-CD2 4.36Å; I135-L144 HydrophobicContact CG2-CD2 3.87Å; I135-L213 HydrophobicContact CB-CD2 4.4Å; I135-L213 HydrophobicContact CG2-CD1 4.04Å; I135-L213 HydrophobicContact CG2-CD2 4.23Å; I135-L213 HydrophobicContact CG2-CG 4.01Å; I135-L214 HydrophobicContact CG1-CD2 3.77Å; I135-A217 HydrophobicContact CD1-CB 4.09Å; I135-A217 HydrophobicContact CG1-CB 4.04Å; I135-A217 HydrophobicContact CG2-CB 3.77Å; I135-Y223 HydrophobicContact CD1-CD2 3.99Å; I135-Y223 HydrophobicContact CD1-CE2 3.79Å
136	K	97.6	Very high	96.4	Very high	53 Å²	53	26.1 Å²	26.1	23%	0.23	14%	0.139	C	C	.	.	H	α-helix	trans	-54.7	-49.5	169.5	177.5	178.7	-177	175.5	0	110.9	A132 L133 L139 A140 I158 E162	A132-K136 PolarHBondContact O-N 3.02Å; L133-K136 WeakPolarHBondContact O-CB 3.28Å; L133-K136 PolarHBondContact O-N 2.93Å; K136-L139 PolarHBondContact O-N 3.37Å; K136-A140 VanDerWaalsContact O-CB 3.3Å; K136-A140 WeakPolarHBondContact O-CB 3.15Å; K136-A140 PolarHBondContact O-N 2.96Å; K136-I158 HydrophobicContact CB-CD1 3.77Å; K136-I158 HydrophobicContact CB-CG1 4.33Å; K136-I158 HydrophobicContact CD-CG2 3.74Å; K136-I158 HydrophobicContact CG-CD1 4.05Å; K136-I158 HydrophobicContact CG-CG2 4.15Å; K136-E162 IonicContact NZ-OE1 2.71Å; K136-E162 PolarHBondContact NZ-OE1 3.15Å; K136-E162 IonicContact NZ-OE2 3.24Å; K136-E162 PolarHBondContact NZ-OE2 3.15Å
137	R	97	Very high	96.6	Very high	55 Å²	55	27.1 Å²	27.1	21%	0.208	15%	0.153	C	C	.	.	H	α-helix	trans	-63.2	-48.9	178.3	-179.1	176	177.2	172.3	2.3	112.9	Y109 L133 Q134 I135 L139 A140 C141	Y109-R137 VanDerWaalsContact CD1-NH2 3.31Å; L133-R137 WeakPolarHBondContact O-CB 3.25Å; L133-R137 PolarHBondContact O-N 3.46Å; Q134-R137 PolarHBondContact O-N 3.42Å; I135-R137 VanDerWaalsContact C-N 3.33Å; I135-R137 PolarHBondContact O-N 3.16Å; R137-L139 VanDerWaalsContact C-N 3.28Å; R137-L139 PolarHBondContact O-N 2.82Å; R137-A140 PolarHBondContact O-N 2.86Å; R137-C141 PolarHBondContact O-N 3.3Å; R137-C141 PolarHBondContact O-SG 2.84Å
138	D	97.5	Very high	96.6	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.027	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-34.2	-179.5	-79.7	2.9	0	0	0	111.6	Y115 Q134 I135 G142 E143 L144 K226	Y115-D138 PolarHBondContact OH-OD2 3.05Å; Q134-D138 PolarHBondContact NE2-OD1 2.81Å; Q134-D138 WeakPolarHBondContact O-CB 3.48Å; Q134-D138 PolarHBondContact O-N 2.8Å; I135-D138 PolarHBondContact O-N 2.87Å; D138-G142 PolarHBondContact O-N 2.91Å; D138-E143 HydrophobicContact CB-CB 4.4Å; D138-E143 PolarHBondContact O-N 3.41Å; D138-L144 HydrophobicContact CB-CB 3.99Å; D138-L144 PolarHBondContact O-N 2.91Å; D138-K226 IonicContact OD1-NZ 3.02Å; D138-K226 PolarHBondContact OD1-NZ 3.37Å; D138-K226 IonicContact OD2-NZ 2.68Å; D138-K226 PolarHBondContact OD2-NZ 2.8Å
139	L	97.5	Very high	96.7	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-70.8	-47.1	174.3	-168	71.2	0	0	0	111.2	I135 K136 R137 C141 G142 L144 A151 L154 F182 V183	I135-L139 VanDerWaalsContact O-CB 3.28Å; I135-L139 WeakPolarHBondContact O-CB 3.42Å; I135-L139 PolarHBondContact O-N 2.83Å; K136-L139 PolarHBondContact O-N 3.37Å; R137-L139 VanDerWaalsContact C-N 3.28Å; R137-L139 PolarHBondContact O-N 2.82Å; L139-C141 PolarHBondContact O-N 2.87Å; L139-G142 PolarHBondContact O-N 3.16Å; L139-G142 VanDerWaalsContact O-N 3.09Å; L139-L144 HydrophobicContact CD1-CB 4.48Å; L139-L144 HydrophobicContact CD1-CD2 4.38Å; L139-L144 HydrophobicContact CD1-CG 4.48Å; L139-A151 HydrophobicContact CD1-CB 4.07Å; L139-L154 HydrophobicContact CD1-CD1 3.96Å; L139-L154 HydrophobicContact CD2-CB 3.87Å; L139-L154 HydrophobicContact CD2-CD1 4.37Å; L139-F182 CarbonylContact C-O 3.44Å; L139-F182 WeakPolarHBondContact CG-O 3.39Å; L139-V183 HydrophobicContact CG-CG1 4.12Å
140	A	97	Very high	96.8	Very high	20 Å²	20	34.6 Å²	34.6	17%	0.165	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-37.4	-179.4	0	0	0	0	0	113.4	K136 R137 G142 H181 F182 P184	K136-A140 VanDerWaalsContact O-CB 3.3Å; K136-A140 WeakPolarHBondContact O-CB 3.15Å; K136-A140 PolarHBondContact O-N 2.96Å; R137-A140 PolarHBondContact O-N 2.86Å; A140-G142 VanDerWaalsContact C-N 3.35Å; A140-H181 VanDerWaalsContact CB-O 3.26Å; A140-H181 WeakPolarHBondContact CB-O 3.49Å; A140-F182 WeakPolarHBondContact CA-O 3.49Å; A140-F182 PolarHBondContact N-O 2.94Å; A140-P184 VanDerWaalsContact O-CD 3.31Å; A140-P184 WeakPolarHBondContact O-CD 3.34Å; A140-P184 WeakPolarHBondContact O-CG 3.34Å
141	C	94.3	Very high	96.9	Very high	65 Å²	65	34.7 Å²	34.7	44%	0.439	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.2	174.7	71.9	0	0	0	0	114.4	R137 L139 E143	R137-C141 PolarHBondContact O-N 3.3Å; R137-C141 PolarHBondContact O-SG 2.84Å; L139-C141 PolarHBondContact O-N 2.87Å; C141-E143 VanDerWaalsContact C-N 3.33Å; C141-E143 PolarHBondContact O-N 2.79Å; C141-E143 VanDerWaalsContact SG-CG 3.57Å; C141-E143 PolarHBondContact SG-OE1 2.82Å; C141-E143 VanDerWaalsContact SG-OE1 3.36Å
142	G	94.7	Very high	96.9	Very high	30 Å²	30	34.7 Å²	34.7	31%	0.309	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	11.5	179.4	0	0	0	0	0	115.6	D138 L139 A140 M145	D138-G142 PolarHBondContact O-N 2.91Å; L139-G142 PolarHBondContact O-N 3.16Å; L139-G142 VanDerWaalsContact O-N 3.09Å; A140-G142 VanDerWaalsContact C-N 3.35Å; G142-M145 WeakPolarHBondContact O-CG 3.47Å
143	E	94.4	Very high	96.9	Very high	46 Å²	46	36.4 Å²	36.4	22%	0.215	21%	0.208	C	C	.	.			trans	-71.7	-34.1	173.1	-75	175.2	-134.8	0	0	111.7	R86 D138 C141 M145 K226	R86-E143 IonicContact CZ-OE1 2.86Å; R86-E143 VanDerWaalsContact NH1-CD 3.3Å; R86-E143 IonicContact NH1-OE1 2.78Å; R86-E143 PolarHBondContact NH1-OE1 2.92Å; R86-E143 IonicContact NH1-OE2 3.55Å; R86-E143 PolarHBondContact NH1-OE2 2.89Å; R86-E143 IonicContact NH2-OE1 2.89Å; R86-E143 PolarHBondContact NH2-OE1 2.87Å; D138-E143 HydrophobicContact CB-CB 4.4Å; D138-E143 PolarHBondContact O-N 3.41Å; C141-E143 VanDerWaalsContact C-N 3.33Å; C141-E143 PolarHBondContact O-N 2.79Å; C141-E143 VanDerWaalsContact SG-CG 3.57Å; C141-E143 PolarHBondContact SG-OE1 2.82Å; C141-E143 VanDerWaalsContact SG-OE1 3.36Å; E143-M145 VanDerWaalsContact C-N 3.34Å; E143-M145 PolarHBondContact O-N 2.99Å; E143-M145 VanDerWaalsContact O-N 3.15Å; E143-K226 VanDerWaalsContact OE2-CD 3.31Å; E143-K226 WeakPolarHBondContact OE2-CD 3.31Å; E143-K226 WeakPolarHBondContact OE2-CE 3.41Å; E143-K226 IonicContact OE2-NZ 3.77Å; E143-K226 PolarHBondContact OE2-NZ 3.03Å
144	L	96.8	Very high	97	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	21%	0.205	C	C	.	.	S	Bend	trans	-85.4	74.4	170.6	-174.6	60	0	0	0	110.6	I135 D138 L139 C146 L154 A217 C220	I135-L144 HydrophobicContact CD1-CD2 4.36Å; I135-L144 HydrophobicContact CG2-CD2 3.87Å; D138-L144 HydrophobicContact CB-CB 3.99Å; D138-L144 PolarHBondContact O-N 2.91Å; L139-L144 HydrophobicContact CD1-CB 4.48Å; L139-L144 HydrophobicContact CD1-CD2 4.38Å; L139-L144 HydrophobicContact CD1-CG 4.48Å; L144-C146 PolarHBondContact O-N 3.37Å; L144-L154 HydrophobicContact CD2-CD1 3.98Å; L144-A217 HydrophobicContact CD2-CB 4.22Å; L144-C220 HydrophobicContact CD1-CB 3.9Å
145	M	95	Very high	97	Very high	81 Å²	81	35.8 Å²	35.8	40%	0.399	21%	0.205	S	C	.	.			trans	-64.1	123.5	176.9	-56	-173.6	75.3	0	0	111	G142 E143 F222 L253	G142-M145 WeakPolarHBondContact O-CG 3.47Å; E143-M145 VanDerWaalsContact C-N 3.34Å; E143-M145 PolarHBondContact O-N 2.99Å; E143-M145 VanDerWaalsContact O-N 3.15Å; M145-F222 HydrophobicContact CB-CB 4.17Å; M145-F222 HydrophobicContact CB-CD1 4.38Å; M145-F222 HydrophobicContact CB-CD2 3.73Å; M145-F222 HydrophobicContact CB-CE2 4.23Å; M145-F222 HydrophobicContact CB-CG 3.82Å; M145-F222 HydrophobicContact CG-CG 4.44Å; M145-F222 VanDerWaalsContact O-CD2 3.25Å; M145-F222 WeakPolarHBondContact O-CD2 3.4Å; M145-F222 HydrophobicContact SD-CD1 4.47Å; M145-F222 HydrophobicContact SD-CE1 4.47Å; M145-L253 HydrophobicContact CE-CD1 3.67Å; M145-L253 HydrophobicContact SD-CD1 3.87Å; M145-L253 HydrophobicContact SD-CD2 4.16Å
146	C	95.9	Very high	97	Very high	45 Å²	45	35.9 Å²	35.9	30%	0.304	21%	0.205	S	C	.	.			trans	-152	177.2	175.9	66	0	0	0	0	111.3	L144 T150 C220	L144-C146 PolarHBondContact O-N 3.37Å; C146-T150 HydrophobicContact CB-CG2 4.06Å; C146-C220 HydrophobicContact CB-CB 4.44Å
147	S	96.4	Very high	97	Very high	63 Å²	63	35.3 Å²	35.3	44%	0.441	20%	0.202	S	C	.	.			trans	-69.6	151.7	175.1	85.5	0	0	0	0	111.3	N149 T150 A151	S147-N149 PolarHBondContact O-N 3.47Å; S147-T150 CarbonylContact O-C 3.59Å; S147-T150 WeakPolarHBondContact O-CA 3.49Å; S147-T150 WeakPolarHBondContact O-CB 3.31Å; S147-T150 PolarHBondContact O-N 2.88Å; S147-T150 PolarHBondContact OG-N 3.05Å; S147-T150 PolarHBondContact OG-OG1 2.91Å; S147-A151 PolarHBondContact O-N 3.33Å
148	E	96.4	Very high	97.1	Very high	89 Å²	89	32.9 Å²	32.9	42%	0.416	19%	0.193	S	C	.	.	H	α-helix	trans	-55.2	-38.7	177.7	-169.7	-167.4	96.9	0	0	112.3	T150 A151 A152 F190 K193	E148-T150 VanDerWaalsContact C-N 3.32Å; E148-T150 PolarHBondContact O-N 3.1Å; E148-A151 PolarHBondContact O-N 3.4Å; E148-A152 WeakPolarHBondContact O-CB 3.48Å; E148-A152 PolarHBondContact O-N 2.82Å; E148-F190 HydrophobicContact CG-CD2 3.85Å; E148-K193 WeakPolarHBondContact OE1-CE 3.35Å; E148-K193 IonicContact OE1-NZ 3.18Å; E148-K193 PolarHBondContact OE1-NZ 3.48Å
149	N	97.6	Very high	97.1	Very high	100 Å²	100	32.8 Å²	32.8	54%	0.535	19%	0.193	S	C	.	.	H	α-helix	trans	-67.2	-32.8	175.8	-66.1	-14.8	0	0	0	112.2	S147 V153 K193	S147-N149 PolarHBondContact O-N 3.47Å; N149-V153 WeakPolarHBondContact O-CG2 3.39Å; N149-V153 PolarHBondContact O-N 3.46Å; N149-K193 PolarHBondContact OD1-NZ 2.9Å
150	T	98.1	Very high	97	Very high	42 Å²	42	32.7 Å²	32.7	26%	0.258	19%	0.192	S	C	.	.	H	α-helix	trans	-71.3	-45.6	174	-48.2	0	0	0	0	110.6	C146 S147 E148 A152 V153 L154 T216	C146-T150 HydrophobicContact CB-CG2 4.06Å; S147-T150 CarbonylContact O-C 3.59Å; S147-T150 WeakPolarHBondContact O-CA 3.49Å; S147-T150 WeakPolarHBondContact O-CB 3.31Å; S147-T150 PolarHBondContact O-N 2.88Å; S147-T150 PolarHBondContact OG-N 3.05Å; S147-T150 PolarHBondContact OG-OG1 2.91Å; E148-T150 VanDerWaalsContact C-N 3.32Å; E148-T150 PolarHBondContact O-N 3.1Å; T150-A152 VanDerWaalsContact C-N 3.28Å; T150-A152 PolarHBondContact O-N 3Å; T150-V153 PolarHBondContact O-N 3.16Å; T150-V153 VanDerWaalsContact O-N 3.08Å; T150-L154 HydrophobicContact CG2-CD1 4.35Å; T150-L154 WeakPolarHBondContact O-CG 3.41Å; T150-L154 PolarHBondContact O-N 2.91Å; T150-T216 HydrophobicContact CG2-CG2 4.46Å
151	A	98.3	Very high	97	Very high	6 Å²	6	32 Å²	32	5%	0.05	19%	0.186	C	C	.	.	H	α-helix	trans	-59.4	-39.4	175.6	0	0	0	0	0	111.6	L139 S147 E148 V153 L154 A155 V183 F190	L139-A151 HydrophobicContact CD1-CB 4.07Å; S147-A151 PolarHBondContact O-N 3.33Å; E148-A151 PolarHBondContact O-N 3.4Å; A151-V153 VanDerWaalsContact C-N 3.29Å; A151-V153 PolarHBondContact O-N 3.2Å; A151-L154 PolarHBondContact O-N 2.79Å; A151-A155 VanDerWaalsContact O-CB 3.27Å; A151-A155 WeakPolarHBondContact O-CB 3.43Å; A151-A155 PolarHBondContact O-N 2.9Å; A151-V183 HydrophobicContact CB-CG1 3.93Å; A151-F190 HydrophobicContact CB-CE2 3.76Å; A151-F190 HydrophobicContact CB-CZ 4.24Å
152	A	98.4	Very high	97	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-71.2	-19.7	176.9	0	0	0	0	0	114.1	E148 T150 S156 F190 K193 V194 N197	E148-A152 WeakPolarHBondContact O-CB 3.48Å; E148-A152 PolarHBondContact O-N 2.82Å; T150-A152 VanDerWaalsContact C-N 3.28Å; T150-A152 PolarHBondContact O-N 3Å; A152-S156 PolarHBondContact O-N 3.06Å; A152-S156 PolarHBondContact O-OG 3.5Å; A152-F190 HydrophobicContact CB-CD2 4.22Å; A152-F190 HydrophobicContact CB-CE2 3.86Å; A152-F190 HydrophobicContact CB-CZ 4.43Å; A152-K193 HydrophobicContact CB-CB 3.73Å; A152-V194 HydrophobicContact CB-CG2 4.03Å; A152-N197 PolarHBondContact O-ND2 3.35Å; A152-N197 VanDerWaalsContact O-ND2 3.14Å
153	V	98.5	Very high	96.9	Very high	41 Å²	41	30.2 Å²	30.2	25%	0.248	17%	0.167	C	C	.	.	H	α-helix	trans	-81.4	-47.4	169.4	168.4	0	0	0	0	110.2	N149 T150 A151 A155 S156 Y157 T216	N149-V153 WeakPolarHBondContact O-CG2 3.39Å; N149-V153 PolarHBondContact O-N 3.46Å; T150-V153 PolarHBondContact O-N 3.16Å; T150-V153 VanDerWaalsContact O-N 3.08Å; A151-V153 VanDerWaalsContact C-N 3.29Å; A151-V153 PolarHBondContact O-N 3.2Å; V153-A155 PolarHBondContact O-N 3.43Å; V153-S156 PolarHBondContact O-N 3.13Å; V153-S156 VanDerWaalsContact O-N 3.07Å; V153-S156 PolarHBondContact O-OG 3.29Å; V153-Y157 HydrophobicContact CG1-CD2 4.2Å; V153-Y157 HydrophobicContact CG1-CE2 3.52Å; V153-Y157 WeakPolarHBondContact O-CD2 3.43Å; V153-Y157 PolarHBondContact O-N 2.98Å; V153-T216 HydrophobicContact CG1-CG2 4.28Å
154	L	98.6	Very high	96.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-55.8	-49.6	175.6	-66.5	170.6	0	0	0	111.3	L139 L144 T150 A151 S156 Y157 I158 L213 T216 A217	L139-L154 HydrophobicContact CD1-CD1 3.96Å; L139-L154 HydrophobicContact CD2-CB 3.87Å; L139-L154 HydrophobicContact CD2-CD1 4.37Å; L144-L154 HydrophobicContact CD2-CD1 3.98Å; T150-L154 HydrophobicContact CG2-CD1 4.35Å; T150-L154 WeakPolarHBondContact O-CG 3.41Å; T150-L154 PolarHBondContact O-N 2.91Å; A151-L154 PolarHBondContact O-N 2.79Å; L154-S156 VanDerWaalsContact C-N 3.29Å; L154-S156 PolarHBondContact O-N 3.05Å; L154-Y157 PolarHBondContact O-N 2.94Å; L154-I158 PolarHBondContact O-N 3.12Å; L154-L213 HydrophobicContact CB-CD1 3.85Å; L154-L213 HydrophobicContact CD2-CD1 3.67Å; L154-L213 HydrophobicContact CG-CD1 4.38Å; L154-L213 VanDerWaalsContact O-CD1 3.28Å; L154-L213 WeakPolarHBondContact O-CD1 3.42Å; L154-T216 HydrophobicContact CD2-CG2 3.64Å; L154-T216 HydrophobicContact CG-CG2 4.2Å; L154-A217 HydrophobicContact CD2-CB 4.05Å
155	A	98.4	Very high	96.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-35.6	175.6	0	0	0	0	0	112.9	A151 V153 Y157 I158 V159 F182 F190 V194	A151-A155 VanDerWaalsContact O-CB 3.27Å; A151-A155 WeakPolarHBondContact O-CB 3.43Å; A151-A155 PolarHBondContact O-N 2.9Å; V153-A155 PolarHBondContact O-N 3.43Å; A155-Y157 PolarHBondContact O-N 3.09Å; A155-I158 PolarHBondContact O-N 3.4Å; A155-V159 VanDerWaalsContact O-CG2 3.25Å; A155-V159 WeakPolarHBondContact O-CG2 3.46Å; A155-V159 PolarHBondContact O-N 3.31Å; A155-F182 HydrophobicContact CB-CB 3.93Å; A155-F182 HydrophobicContact CB-CD1 3.75Å; A155-F182 HydrophobicContact CB-CD2 4.48Å; A155-F182 HydrophobicContact CB-CE1 4.41Å; A155-F182 HydrophobicContact CB-CG 3.8Å; A155-F190 HydrophobicContact CB-CE1 4.34Å; A155-F190 HydrophobicContact CB-CZ 4.03Å; A155-V194 HydrophobicContact CB-CG1 4.11Å; A155-V194 HydrophobicContact CB-CG2 3.67Å
156	S	98.4	Very high	96.9	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-67.9	-31.3	177.8	66.4	0	0	0	0	113.9	A152 V153 L154 Q160 N197 L201	A152-S156 PolarHBondContact O-N 3.06Å; A152-S156 PolarHBondContact O-OG 3.5Å; V153-S156 PolarHBondContact O-N 3.13Å; V153-S156 VanDerWaalsContact O-N 3.07Å; V153-S156 PolarHBondContact O-OG 3.29Å; L154-S156 VanDerWaalsContact C-N 3.29Å; L154-S156 PolarHBondContact O-N 3.05Å; S156-Q160 WeakPolarHBondContact O-CB 3.43Å; S156-Q160 PolarHBondContact O-N 3.49Å; S156-N197 WeakPolarHBondContact OG-CB 3.17Å; S156-L201 WeakPolarHBondContact O-CD1 3.4Å
157	Y	98.5	Very high	96.8	Very high	41 Å²	41	28.8 Å²	28.8	16%	0.161	16%	0.162	C	C	.	.	H	α-helix	trans	-70.4	-39	171.2	-64	-55.6	0	0	0	112.1	V153 L154 A155 V159 Q160 S161 L201 M204 S209 A212 L213	V153-Y157 HydrophobicContact CG1-CD2 4.2Å; V153-Y157 HydrophobicContact CG1-CE2 3.52Å; V153-Y157 WeakPolarHBondContact O-CD2 3.43Å; V153-Y157 PolarHBondContact O-N 2.98Å; L154-Y157 PolarHBondContact O-N 2.94Å; A155-Y157 PolarHBondContact O-N 3.09Å; Y157-V159 VanDerWaalsContact C-N 3.32Å; Y157-V159 PolarHBondContact O-N 2.81Å; Y157-Q160 PolarHBondContact O-N 3.34Å; Y157-S161 PolarHBondContact O-N 3.01Å; Y157-L201 HydrophobicContact CD1-CD1 3.77Å; Y157-L201 HydrophobicContact CD1-CD2 4.19Å; Y157-L201 HydrophobicContact CE1-CD1 4.11Å; Y157-L201 HydrophobicContact CE1-CD2 3.72Å; Y157-M204 HydrophobicContact CD1-SD 4.03Å; Y157-M204 HydrophobicContact CE1-CE 4.32Å; Y157-M204 HydrophobicContact CE1-SD 4.06Å; Y157-S209 PolarHBondContact O-OG 3.04Å; Y157-A212 HydrophobicContact CD1-CB 3.81Å; Y157-A212 HydrophobicContact CD2-CB 4.38Å; Y157-A212 HydrophobicContact CE1-CB 3.51Å; Y157-A212 HydrophobicContact CE2-CB 4.1Å; Y157-A212 HydrophobicContact CG-CB 4.25Å; Y157-L213 HydrophobicContact CD2-CB 4.39Å; Y157-L213 HydrophobicContact CG-CB 4.46Å
158	I	97.8	Very high	96.6	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-61.5	-43.3	174.1	-64.3	160.7	0	0	0	110.2	K136 L154 A155 S161 E162 F182 L213	K136-I158 HydrophobicContact CB-CD1 3.77Å; K136-I158 HydrophobicContact CB-CG1 4.33Å; K136-I158 HydrophobicContact CD-CG2 3.74Å; K136-I158 HydrophobicContact CG-CD1 4.05Å; K136-I158 HydrophobicContact CG-CG2 4.15Å; L154-I158 PolarHBondContact O-N 3.12Å; A155-I158 PolarHBondContact O-N 3.4Å; I158-S161 PolarHBondContact O-N 3.39Å; I158-E162 HydrophobicContact CG2-CG 4.49Å; I158-E162 WeakPolarHBondContact O-CB 3.34Å; I158-E162 WeakPolarHBondContact O-CG 3.48Å; I158-E162 PolarHBondContact O-N 3.44Å; I158-F182 HydrophobicContact CB-CE1 4.29Å; I158-F182 HydrophobicContact CG2-CD1 4.46Å; I158-F182 HydrophobicContact CG2-CE1 3.91Å; I158-L213 HydrophobicContact CD1-CD1 4.13Å; I158-L213 HydrophobicContact CD1-CD2 4.37Å; I158-L213 HydrophobicContact CG1-CD1 3.95Å; I158-L213 HydrophobicContact CG1-CD2 3.77Å
159	V	97.3	Very high	96.4	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-63.5	-46.2	176.3	173.5	0	0	0	0	111.5	A155 Y157 S161 E162 C163 Y176 L177 F182 V194 H198	A155-V159 VanDerWaalsContact O-CG2 3.25Å; A155-V159 WeakPolarHBondContact O-CG2 3.46Å; A155-V159 PolarHBondContact O-N 3.31Å; Y157-V159 VanDerWaalsContact C-N 3.32Å; Y157-V159 PolarHBondContact O-N 2.81Å; V159-S161 VanDerWaalsContact C-N 3.33Å; V159-S161 PolarHBondContact O-N 2.86Å; V159-E162 PolarHBondContact O-N 3.01Å; V159-C163 HydrophobicContact CG1-CB 4.45Å; V159-C163 VanDerWaalsContact O-CB 3.26Å; V159-C163 WeakPolarHBondContact O-CB 3.34Å; V159-C163 PolarHBondContact O-N 3.49Å; V159-Y176 HydrophobicContact CG1-CE2 3.96Å; V159-L177 HydrophobicContact CB-CD2 4.4Å; V159-L177 HydrophobicContact CG1-CD2 4.03Å; V159-L177 HydrophobicContact CG2-CD2 3.42Å; V159-L177 VanDerWaalsContact CG2-CD2 3.42Å; V159-F182 HydrophobicContact CG2-CE1 3.87Å; V159-F182 HydrophobicContact CG2-CE2 4.25Å; V159-F182 HydrophobicContact CG2-CZ 3.44Å; V159-F182 VanDerWaalsContact CG2-CZ 3.44Å; V159-V194 HydrophobicContact CG2-CG1 3.97Å; V159-H198 HydrophobicContact CG1-CB 4.45Å; V159-H198 WeakPolarHBondContact CG1-ND1 3.34Å
160	Q	97.4	Very high	96	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.009	18%	0.175	C	C	.	.	H	α-helix	trans	-62.7	-37.5	177.2	179.6	72.6	31.9	0	0	112	S156 Y157 G164 D165 H198 L201 M204 S209	S156-Q160 WeakPolarHBondContact O-CB 3.43Å; S156-Q160 PolarHBondContact O-N 3.49Å; Y157-Q160 PolarHBondContact O-N 3.34Å; Q160-G164 WeakPolarHBondContact O-CA 3.48Å; Q160-G164 PolarHBondContact O-N 3.32Å; Q160-G164 VanDerWaalsContact O-N 3.12Å; Q160-D165 PolarHBondContact NE2-OD1 2.85Å; Q160-H198 PolarHBondContact OE1-CD2 2.73Å; Q160-L201 HydrophobicContact CB-CB 4.24Å; Q160-L201 HydrophobicContact CB-CD1 3.88Å; Q160-L201 HydrophobicContact CG-CB 3.92Å; Q160-L201 HydrophobicContact CG-CD1 4.36Å; Q160-L201 PolarHBondContact NE2-O 2.92Å; Q160-M204 HydrophobicContact CG-CB 4.16Å; Q160-M204 HydrophobicContact CG-CG 4.5Å; Q160-M204 PolarHBondContact NE2-O 3.38Å; Q160-S209 WeakPolarHBondContact CB-OG 3.44Å; Q160-S209 WeakPolarHBondContact CG-OG 3.43Å
161	S	96.1	Very high	95.8	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-79.6	-20.4	-180	88.9	0	0	0	0	114.7	Y157 I158 V159 D210	Y157-S161 PolarHBondContact O-N 3.01Å; I158-S161 PolarHBondContact O-N 3.39Å; V159-S161 VanDerWaalsContact C-N 3.33Å; V159-S161 PolarHBondContact O-N 2.86Å; S161-D210 WeakPolarHBondContact CB-OD1 3.23Å; S161-D210 PolarHBondContact OG-OD1 3.14Å
162	E	93.9	Very high	95.4	Very high	29 Å²	29	34.6 Å²	34.6	14%	0.136	20%	0.197	C	C	.	.	H	α-helix	trans	-97.8	-36.6	176.8	-68.2	-176.1	168	0	0	113.5	K136 I158 V159 V364 L365	K136-E162 IonicContact NZ-OE1 2.71Å; K136-E162 PolarHBondContact NZ-OE1 3.15Å; K136-E162 IonicContact NZ-OE2 3.24Å; K136-E162 PolarHBondContact NZ-OE2 3.15Å; I158-E162 HydrophobicContact CG2-CG 4.49Å; I158-E162 WeakPolarHBondContact O-CB 3.34Å; I158-E162 WeakPolarHBondContact O-CG 3.48Å; I158-E162 PolarHBondContact O-N 3.44Å; V159-E162 PolarHBondContact O-N 3.01Å; E162-V364 CarbonylContact O-C 3.57Å; E162-V364 WeakPolarHBondContact O-CG1 3.34Å; E162-L365 HydrophobicContact CB-CD1 4.46Å; E162-L365 PolarHBondContact O-N 3.22Å
163	C	92	Very high	95.2	Very high	29 Å²	29	37.7 Å²	37.7	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-105.9	-15.6	-174	-57	0	0	0	0	114.4	V159 Y171	V159-C163 HydrophobicContact CG1-CB 4.45Å; V159-C163 VanDerWaalsContact O-CB 3.26Å; V159-C163 WeakPolarHBondContact O-CB 3.34Å; V159-C163 PolarHBondContact O-N 3.49Å; C163-Y171 PolarHBondContact O-OH 2.63Å
164	G	94	Very high	95	Very high	7 Å²	7	37.2 Å²	37.2	7%	0.072	21%	0.209	C	C	.	.			trans	69.8	-169.9	-167.5	0	0	0	0	0	112.8	Q160 H198	Q160-G164 WeakPolarHBondContact O-CA 3.48Å; Q160-G164 PolarHBondContact O-N 3.32Å; Q160-G164 VanDerWaalsContact O-N 3.12Å; G164-H198 PolarHBondContact O-NE2 2.7Å
165	D	96.2	Very high	94.9	Very high	70 Å²	70	41 Å²	41	37%	0.374	23%	0.232	S	C	.	.	S	Bend	trans	-52.5	140.9	-172.2	-67.1	-25.4	0	0	0	115.2	Q160 C167 V202 G203	Q160-D165 PolarHBondContact NE2-OD1 2.85Å; D165-C167 PolarHBondContact O-N 3.05Å; D165-C167 VanDerWaalsContact O-N 3.15Å; D165-V202 HydrophobicContact CB-CG1 4.23Å; D165-V202 HydrophobicContact CB-CG2 4.42Å; D165-V202 WeakPolarHBondContact OD1-CA 3.29Å; D165-G203 PolarHBondContact OD1-N 2.74Å
166	F	96.1	Very high	94.7	Very high	33 Å²	33	43.1 Å²	43.1	15%	0.145	24%	0.24	C	C	.	.			trans	-60.5	115.9	170.3	-178.2	-87.3	0	0	0	111.9	A168 Y171 Y176 M195 H198 K199 V202	F166-A168 HydrophobicContact CE1-CB 4.09Å; F166-Y171 AromaticContact CD2-CD2 3.88Å; F166-Y171 HydrophobicContact CD2-CD2 3.88Å; F166-Y171 HydrophobicContact CD2-CG 4.42Å; F166-Y171 HydrophobicContact CE2-CD2 4.25Å; F166-Y171 HydrophobicContact CE2-CG 4.39Å; F166-Y171 HydrophobicContact CG-CD2 4.4Å; F166-Y171 VanDerWaalsContact CZ-O 3.29Å; F166-Y171 WeakPolarHBondContact CZ-O 3.36Å; F166-Y176 HydrophobicContact CE2-CE1 4.48Å; F166-M195 HydrophobicContact CD2-CG 4.46Å; F166-M195 HydrophobicContact CE2-CG 3.84Å; F166-M195 HydrophobicContact CE2-SD 4.25Å; F166-H198 AromaticContact CD2-ND1 3.76Å; F166-H198 PolarHBondContact N-NE2 2.97Å; F166-K199 HydrophobicContact CB-CG 4.45Å; F166-K199 HydrophobicContact CD1-CG 3.55Å; F166-K199 HydrophobicContact CD2-CG 3.97Å; F166-K199 HydrophobicContact CE1-CD 4.25Å; F166-K199 HydrophobicContact CE1-CG 3.72Å; F166-K199 HydrophobicContact CE2-CG 4.12Å; F166-K199 HydrophobicContact CG-CG 3.7Å; F166-K199 HydrophobicContact CZ-CD 4.34Å; F166-K199 HydrophobicContact CZ-CG 4.01Å; F166-V202 HydrophobicContact CB-CG2 4.35Å
167	C	94	Very high	94.6	Very high	36 Å²	36	43.1 Å²	43.1	24%	0.243	24%	0.24	C	C	.	.			trans	-110.4	130.9	168.4	-179.3	0	0	0	0	109.7	D165 E169 D170 Y171	D165-C167 PolarHBondContact O-N 3.05Å; D165-C167 VanDerWaalsContact O-N 3.15Å; C167-E169 VanDerWaalsContact C-N 3.26Å; C167-E169 PolarHBondContact O-N 3.17Å; C167-D170 HydrophobicContact CB-CB 4.07Å; C167-D170 WeakPolarHBondContact CB-OD2 3.43Å; C167-D170 PolarHBondContact O-N 3.08Å; C167-D170 PolarHBondContact SG-OD2 3.03Å; C167-Y171 WeakPolarHBondContact O-CB 3.18Å; C167-Y171 WeakPolarHBondContact O-CD2 3.41Å; C167-Y171 PolarHBondContact O-N 3.49Å
168	A	92.9	Very high	94.3	Very high	71 Å²	71	44.2 Å²	44.2	59%	0.587	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-17.6	-179.4	0	0	0	0	0	113.8	F166	F166-A168 HydrophobicContact CE1-CB 4.09Å
169	E	92.4	Very high	93.9	Very high	172 Å²	172	49.4 Å²	49.4	80%	0.804	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-41.3	175.5	-59	175.8	169	0	0	110.9	C167	C167-E169 VanDerWaalsContact C-N 3.26Å; C167-E169 PolarHBondContact O-N 3.17Å
170	D	89.7	Confident	93.6	Very high	53 Å²	53	50.5 Å²	50.5	28%	0.283	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-30.1	176.3	-59.9	-67.4	0	0	0	112.3	C167	C167-D170 HydrophobicContact CB-CB 4.07Å; C167-D170 WeakPolarHBondContact CB-OD2 3.43Å; C167-D170 PolarHBondContact O-N 3.08Å; C167-D170 PolarHBondContact SG-OD2 3.03Å
171	Y	92.8	Very high	93.4	Very high	16 Å²	16	55.6 Å²	55.6	6%	0.063	32%	0.323	C	S	.	.			trans	-128.2	72.7	-175.8	-46.5	-50.1	0	0	0	111.6	C163 F166 C167 D173 Y176	C163-Y171 PolarHBondContact O-OH 2.63Å; F166-Y171 AromaticContact CD2-CD2 3.88Å; F166-Y171 HydrophobicContact CD2-CD2 3.88Å; F166-Y171 HydrophobicContact CD2-CG 4.42Å; F166-Y171 HydrophobicContact CE2-CD2 4.25Å; F166-Y171 HydrophobicContact CE2-CG 4.39Å; F166-Y171 HydrophobicContact CG-CD2 4.4Å; F166-Y171 VanDerWaalsContact CZ-O 3.29Å; F166-Y171 WeakPolarHBondContact CZ-O 3.36Å; C167-Y171 WeakPolarHBondContact O-CB 3.18Å; C167-Y171 WeakPolarHBondContact O-CD2 3.41Å; C167-Y171 PolarHBondContact O-N 3.49Å; Y171-D173 VanDerWaalsContact C-N 3.31Å; Y171-D173 PolarHBondContact O-N 3.03Å; Y171-Y176 HydrophobicContact CD1-CD1 4.1Å; Y171-Y176 AromaticContact CD1-CD2 3.64Å; Y171-Y176 HydrophobicContact CD1-CD2 3.64Å; Y171-Y176 HydrophobicContact CD1-CE2 4.12Å; Y171-Y176 AromaticContact CD1-CG 3.63Å; Y171-Y176 HydrophobicContact CD1-CG 3.63Å; Y171-Y176 HydrophobicContact CD2-CE2 4.48Å; Y171-Y176 AromaticContact CE1-CD2 3.96Å; Y171-Y176 HydrophobicContact CE1-CD2 3.96Å; Y171-Y176 HydrophobicContact CE1-CE2 4.46Å; Y171-Y176 HydrophobicContact CE1-CG 4.32Å; Y171-Y176 HydrophobicContact CG-CD1 4.18Å; Y171-Y176 HydrophobicContact CG-CD2 4.12Å; Y171-Y176 HydrophobicContact CG-CE1 4.23Å; Y171-Y176 HydrophobicContact CG-CE2 4.15Å; Y171-Y176 HydrophobicContact CG-CG 4.14Å
172	P	91.1	Very high	93.4	Very high	110 Å²	110	55.6 Å²	55.6	71%	0.714	32%	0.322	S	S	*	.	S	Bend	trans	-68.1	-27	-175.1	26.8	-35.7	0	0	0	113.8
173	D	93.5	Very high	93.5	Very high	66 Å²	66	55.2 Å²	55.2	35%	0.353	32%	0.322	S	S	.	.	S	Bend	trans	-141.3	-156.8	173.7	72.4	21.9	0	0	0	112	Y171 T175 Y176	Y171-D173 VanDerWaalsContact C-N 3.31Å; Y171-D173 PolarHBondContact O-N 3.03Å; D173-T175 VanDerWaalsContact OD1-CB 3.3Å; D173-T175 WeakPolarHBondContact OD1-CB 3.36Å; D173-T175 WeakPolarHBondContact OD1-CG2 3.42Å; D173-T175 PolarHBondContact OD1-N 2.87Å; D173-T175 PolarHBondContact OD1-OG1 3.25Å; D173-Y176 WeakPolarHBondContact O-CD1 3.47Å; D173-Y176 WeakPolarHBondContact O-CE1 3.47Å
174	H	95.1	Very high	93.7	Very high	31 Å²	31	57.2 Å²	57.2	14%	0.144	34%	0.335	C	S	.	.	S	Bend	trans	-87.8	-11.4	-175.6	54.2	-61.8	0	0	0	114	Y176 L177 A188 E191 R192 M195	H174-Y176 VanDerWaalsContact C-N 3.31Å; H174-Y176 PolarHBondContact O-N 2.92Å; H174-L177 VanDerWaalsContact O-CB 3.31Å; H174-L177 WeakPolarHBondContact O-CB 3.47Å; H174-L177 PolarHBondContact O-N 2.99Å; H174-L177 VanDerWaalsContact O-N 3.14Å; H174-A188 PolarHBondContact CD2-O 3.25Å; H174-E191 HydrophobicContact CB-CB 4.17Å; H174-E191 IonicContact CD2-OE2 2.64Å; H174-R192 HydrophobicContact CB-CG 3.91Å; H174-R192 PolarHBondContact CE1-NE 3.07Å; H174-R192 VanDerWaalsContact CE1-NE 3.3Å; H174-R192 PolarHBondContact NE2-NE 3.3Å; H174-R192 PolarHBondContact NE2-NH2 2.9Å; H174-M195 HydrophobicContact CB-CE 4.27Å; H174-M195 HydrophobicContact CB-SD 4.33Å
175	T	94.6	Very high	93.6	Very high	79 Å²	79	65.5 Å²	65.5	49%	0.485	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-70.6	-19	-167.4	58.7	0	0	0	0	114.7	D173 L177 S178	D173-T175 VanDerWaalsContact OD1-CB 3.3Å; D173-T175 WeakPolarHBondContact OD1-CB 3.36Å; D173-T175 WeakPolarHBondContact OD1-CG2 3.42Å; D173-T175 PolarHBondContact OD1-N 2.87Å; D173-T175 PolarHBondContact OD1-OG1 3.25Å; T175-L177 PolarHBondContact O-N 3.09Å; T175-S178 WeakPolarHBondContact O-CB 3.35Å; T175-S178 PolarHBondContact O-N 3.12Å; T175-S178 PolarHBondContact O-OG 3.49Å
176	Y	94.5	Very high	93.5	Very high	44 Å²	44	64.1 Å²	64.1	17%	0.173	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-56.8	-31	170.9	72.7	-77.8	0	0	0	112.1	V159 F166 Y171 D173 H174 S179 M195 H198	V159-Y176 HydrophobicContact CG1-CE2 3.96Å; F166-Y176 HydrophobicContact CE2-CE1 4.48Å; Y171-Y176 HydrophobicContact CD1-CD1 4.1Å; Y171-Y176 AromaticContact CD1-CD2 3.64Å; Y171-Y176 HydrophobicContact CD1-CD2 3.64Å; Y171-Y176 HydrophobicContact CD1-CE2 4.12Å; Y171-Y176 AromaticContact CD1-CG 3.63Å; Y171-Y176 HydrophobicContact CD1-CG 3.63Å; Y171-Y176 HydrophobicContact CD2-CE2 4.48Å; Y171-Y176 AromaticContact CE1-CD2 3.96Å; Y171-Y176 HydrophobicContact CE1-CD2 3.96Å; Y171-Y176 HydrophobicContact CE1-CE2 4.46Å; Y171-Y176 HydrophobicContact CE1-CG 4.32Å; Y171-Y176 HydrophobicContact CG-CD1 4.18Å; Y171-Y176 HydrophobicContact CG-CD2 4.12Å; Y171-Y176 HydrophobicContact CG-CE1 4.23Å; Y171-Y176 HydrophobicContact CG-CE2 4.15Å; Y171-Y176 HydrophobicContact CG-CG 4.14Å; D173-Y176 WeakPolarHBondContact O-CD1 3.47Å; D173-Y176 WeakPolarHBondContact O-CE1 3.47Å; H174-Y176 VanDerWaalsContact C-N 3.31Å; H174-Y176 PolarHBondContact O-N 2.92Å; Y176-S179 PolarHBondContact O-OG 3.25Å; Y176-M195 HydrophobicContact CE1-CB 4.43Å; Y176-M195 HydrophobicContact CE1-CG 4.24Å; Y176-M195 HydrophobicContact CE1-SD 4.45Å; Y176-H198 AromaticContact CE2-ND1 3.93Å; Y176-H198 AromaticContact CZ-ND1 3.81Å; Y176-H198 PolarHBondContact OH-ND1 2.91Å
177	L	96.2	Very high	93.6	Very high	3 Å²	3	64.8 Å²	64.8	2%	0.016	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-74	-25	178	-59.4	172.1	0	0	0	113.3	V159 H174 T175 S179 A180 F182 Q186 E191 V194 M195	V159-L177 HydrophobicContact CB-CD2 4.4Å; V159-L177 HydrophobicContact CG1-CD2 4.03Å; V159-L177 HydrophobicContact CG2-CD2 3.42Å; V159-L177 VanDerWaalsContact CG2-CD2 3.42Å; H174-L177 VanDerWaalsContact O-CB 3.31Å; H174-L177 WeakPolarHBondContact O-CB 3.47Å; H174-L177 PolarHBondContact O-N 2.99Å; H174-L177 VanDerWaalsContact O-N 3.14Å; T175-L177 PolarHBondContact O-N 3.09Å; L177-S179 PolarHBondContact O-N 2.72Å; L177-S179 VanDerWaalsContact O-N 3.13Å; L177-A180 PolarHBondContact O-N 2.7Å; L177-F182 HydrophobicContact CB-CE2 4.28Å; L177-F182 HydrophobicContact CD2-CE2 4.13Å; L177-F182 HydrophobicContact CD2-CZ 4.34Å; L177-Q186 PolarHBondContact O-NE2 2.7Å; L177-E191 HydrophobicContact CB-CB 4.31Å; L177-E191 HydrophobicContact CB-CG 4.15Å; L177-E191 HydrophobicContact CD1-CB 4.1Å; L177-E191 WeakPolarHBondContact CD1-O 3.46Å; L177-V194 HydrophobicContact CD1-CB 3.82Å; L177-V194 HydrophobicContact CD1-CG1 3.77Å; L177-V194 HydrophobicContact CD2-CG1 4Å; L177-M195 HydrophobicContact CD1-CB 4.11Å
178	S	93.5	Very high	93.7	Very high	64 Å²	64	65 Å²	65	45%	0.448	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-68.9	-10.4	-177	-47.5	0	0	0	0	113.5	T175 A180 E191	T175-S178 WeakPolarHBondContact O-CB 3.35Å; T175-S178 PolarHBondContact O-N 3.12Å; T175-S178 PolarHBondContact O-OG 3.49Å; S178-A180 VanDerWaalsContact C-N 3.33Å; S178-E191 VanDerWaalsContact CA-OE1 3.25Å; S178-E191 WeakPolarHBondContact CA-OE1 3.38Å; S178-E191 WeakPolarHBondContact CB-OE1 3.47Å; S178-E191 VanDerWaalsContact OG-CD 3.23Å; S178-E191 PolarHBondContact OG-OE1 3.05Å; S178-E191 PolarHBondContact OG-OE2 2.92Å
179	S	89.5	Confident	93.9	Very high	113 Å²	113	67.5 Å²	67.5	79%	0.79	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-76.9	-16.5	170	68.2	0	0	0	0	113.8	Y176 L177	Y176-S179 PolarHBondContact O-OG 3.25Å; L177-S179 PolarHBondContact O-N 2.72Å; L177-S179 VanDerWaalsContact O-N 3.13Å
180	A	90.7	Very high	94.1	Very high	26 Å²	26	59.5 Å²	59.5	22%	0.215	34%	0.338	C	S	.	.	S	Bend	trans	-118.1	140.4	-178	0	0	0	0	0	110.9	L177 S178 F182 Q186	L177-A180 PolarHBondContact O-N 2.7Å; S178-A180 VanDerWaalsContact C-N 3.33Å; A180-F182 HydrophobicContact CB-CD2 4.38Å; A180-F182 HydrophobicContact CB-CE1 4.28Å; A180-F182 HydrophobicContact CB-CE2 3.63Å; A180-F182 HydrophobicContact CB-CZ 3.56Å; A180-Q186 PolarHBondContact O-NE2 3.05Å; A180-Q186 PolarHBondContact O-OE1 2.71Å
181	H	92.9	Very high	94.5	Very high	109 Å²	109	57.7 Å²	57.7	51%	0.505	33%	0.328	S	S	.	.			trans	-103.4	98.9	-179.3	-169.6	73.1	0	0	0	110.1	A140 V183	A140-H181 VanDerWaalsContact CB-O 3.26Å; A140-H181 WeakPolarHBondContact CB-O 3.49Å; H181-V183 PolarHBondContact CE1-O 2.78Å; H181-V183 PolarHBondContact NE2-O 3.02Å
182	F	96	Very high	94.8	Very high	6 Å²	6	62.6 Å²	62.6	3%	0.026	35%	0.346	C	S	.	.			trans	-90.3	-26.3	-177	-60.4	-76.6	0	0	0	113.5	L139 A140 A155 I158 V159 L177 A180 F190	L139-F182 CarbonylContact C-O 3.44Å; L139-F182 WeakPolarHBondContact CG-O 3.39Å; A140-F182 WeakPolarHBondContact CA-O 3.49Å; A140-F182 PolarHBondContact N-O 2.94Å; A155-F182 HydrophobicContact CB-CB 3.93Å; A155-F182 HydrophobicContact CB-CD1 3.75Å; A155-F182 HydrophobicContact CB-CD2 4.48Å; A155-F182 HydrophobicContact CB-CE1 4.41Å; A155-F182 HydrophobicContact CB-CG 3.8Å; I158-F182 HydrophobicContact CB-CE1 4.29Å; I158-F182 HydrophobicContact CG2-CD1 4.46Å; I158-F182 HydrophobicContact CG2-CE1 3.91Å; V159-F182 HydrophobicContact CG2-CE1 3.87Å; V159-F182 HydrophobicContact CG2-CE2 4.25Å; V159-F182 HydrophobicContact CG2-CZ 3.44Å; V159-F182 VanDerWaalsContact CG2-CZ 3.44Å; L177-F182 HydrophobicContact CB-CE2 4.28Å; L177-F182 HydrophobicContact CD2-CE2 4.13Å; L177-F182 HydrophobicContact CD2-CZ 4.34Å; A180-F182 HydrophobicContact CB-CD2 4.38Å; A180-F182 HydrophobicContact CB-CE1 4.28Å; A180-F182 HydrophobicContact CB-CE2 3.63Å; A180-F182 HydrophobicContact CB-CZ 3.56Å; F182-F190 HydrophobicContact CB-CE1 3.97Å; F182-F190 HydrophobicContact CB-CZ 4.33Å
183	V	96.7	Very high	95.1	Very high	21 Å²	21	60.4 Å²	60.4	13%	0.127	33%	0.325	C	S	.	.	S	Bend	trans	-148	149.6	-178	-70.1	0	0	0	0	110.9	L139 A151 H181 Q185 Q186 F190	L139-V183 HydrophobicContact CG-CG1 4.12Å; A151-V183 HydrophobicContact CB-CG1 3.93Å; H181-V183 PolarHBondContact CE1-O 2.78Å; H181-V183 PolarHBondContact NE2-O 3.02Å; V183-Q185 PolarHBondContact O-N 2.88Å; V183-Q186 HydrophobicContact CG2-CB 4.04Å; V183-Q186 PolarHBondContact O-N 2.7Å; V183-F190 HydrophobicContact CG1-CE2 4.16Å; V183-F190 HydrophobicContact CG1-CZ 3.89Å; V183-F190 HydrophobicContact CG2-CD1 4.08Å; V183-F190 HydrophobicContact CG2-CD2 4.38Å; V183-F190 HydrophobicContact CG2-CE1 3.89Å; V183-F190 HydrophobicContact CG2-CE2 4.2Å; V183-F190 HydrophobicContact CG2-CG 4.31Å; V183-F190 HydrophobicContact CG2-CZ 3.96Å
184	P	95	Very high	95.3	Very high	72 Å²	72	57.2 Å²	57.2	47%	0.468	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.6	-173.9	-28.3	33.7	0	0	0	116.2	A140	A140-P184 VanDerWaalsContact O-CD 3.31Å; A140-P184 WeakPolarHBondContact O-CD 3.34Å; A140-P184 WeakPolarHBondContact O-CG 3.34Å
185	Q	92.1	Very high	95.5	Very high	180 Å²	180	56.5 Å²	56.5	84%	0.841	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.1	57.4	179.8	-66.6	-177.7	-6.9	0	0	109.9	V183 S187	V183-Q185 PolarHBondContact O-N 2.88Å; Q185-S187 PolarHBondContact O-N 3.36Å
186	Q	95.2	Very high	95.6	Very high	42 Å²	42	56.9 Å²	56.9	20%	0.196	30%	0.302	C	S	.	.			trans	-60.8	132.5	177.5	-174.5	160.4	-48	0	0	111	L177 A180 V183 F190 E191	L177-Q186 PolarHBondContact O-NE2 2.7Å; A180-Q186 PolarHBondContact O-NE2 3.05Å; A180-Q186 PolarHBondContact O-OE1 2.71Å; V183-Q186 HydrophobicContact CG2-CB 4.04Å; V183-Q186 PolarHBondContact O-N 2.7Å; Q186-F190 HydrophobicContact CG-CD1 4.12Å; Q186-E191 HydrophobicContact CG-CG 3.95Å; Q186-E191 PolarHBondContact NE2-OE1 3.01Å
187	S	96.4	Very high	95.8	Very high	47 Å²	47	56.5 Å²	56.5	33%	0.329	30%	0.303	S	S	.	.			trans	-128.9	155	-179.3	74.6	0	0	0	0	110.8	Q185 Q189 F190 E191	Q185-S187 PolarHBondContact O-N 3.36Å; S187-Q189 PolarHBondContact O-N 3.16Å; S187-Q189 VanDerWaalsContact O-N 3.09Å; S187-F190 WeakPolarHBondContact O-CA 3.38Å; S187-F190 WeakPolarHBondContact O-CB 3.33Å; S187-F190 PolarHBondContact O-N 2.85Å; S187-F190 PolarHBondContact OG-N 2.86Å; S187-E191 WeakPolarHBondContact O-CG 3.17Å; S187-E191 PolarHBondContact O-N 2.96Å
188	A	96.8	Very high	95.9	Very high	40 Å²	40	56.3 Å²	56.3	33%	0.331	30%	0.302	S	S	.	.	H	α-helix	trans	-59.5	-23.1	175.8	0	0	0	0	0	113.1	H174 R192	H174-A188 PolarHBondContact CD2-O 3.25Å; A188-R192 WeakPolarHBondContact O-CD 3.43Å; A188-R192 VanDerWaalsContact O-CG 3.24Å; A188-R192 WeakPolarHBondContact O-CG 3.47Å; A188-R192 PolarHBondContact O-N 3.45Å; A188-R192 PolarHBondContact O-NE 2.84Å; A188-R192 VanDerWaalsContact O-NE 3.15Å
189	Q	96.9	Very high	96.1	Very high	123 Å²	123	57 Å²	57	58%	0.575	30%	0.297	S	S	*	.	H	α-helix	trans	-73.1	-40.9	171.4	-176.4	176.9	5.8	0	0	112	S187 K193	S187-Q189 PolarHBondContact O-N 3.16Å; S187-Q189 VanDerWaalsContact O-N 3.09Å; Q189-K193 PolarHBondContact O-N 3.05Å
190	F	97.9	Very high	96.5	Very high	5 Å²	5	58.5 Å²	58.5	2%	0.022	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-46.7	173.7	174.4	-91.6	0	0	0	111.2	E148 A151 A152 A155 F182 V183 Q186 S187 R192 K193 V194	E148-F190 HydrophobicContact CG-CD2 3.85Å; A151-F190 HydrophobicContact CB-CE2 3.76Å; A151-F190 HydrophobicContact CB-CZ 4.24Å; A152-F190 HydrophobicContact CB-CD2 4.22Å; A152-F190 HydrophobicContact CB-CE2 3.86Å; A152-F190 HydrophobicContact CB-CZ 4.43Å; A155-F190 HydrophobicContact CB-CE1 4.34Å; A155-F190 HydrophobicContact CB-CZ 4.03Å; F182-F190 HydrophobicContact CB-CE1 3.97Å; F182-F190 HydrophobicContact CB-CZ 4.33Å; V183-F190 HydrophobicContact CG1-CE2 4.16Å; V183-F190 HydrophobicContact CG1-CZ 3.89Å; V183-F190 HydrophobicContact CG2-CD1 4.08Å; V183-F190 HydrophobicContact CG2-CD2 4.38Å; V183-F190 HydrophobicContact CG2-CE1 3.89Å; V183-F190 HydrophobicContact CG2-CE2 4.2Å; V183-F190 HydrophobicContact CG2-CG 4.31Å; V183-F190 HydrophobicContact CG2-CZ 3.96Å; Q186-F190 HydrophobicContact CG-CD1 4.12Å; S187-F190 WeakPolarHBondContact O-CA 3.38Å; S187-F190 WeakPolarHBondContact O-CB 3.33Å; S187-F190 PolarHBondContact O-N 2.85Å; S187-F190 PolarHBondContact OG-N 2.86Å; F190-R192 VanDerWaalsContact C-N 3.31Å; F190-R192 PolarHBondContact O-N 3.4Å; F190-K193 WeakPolarHBondContact O-CA 3.47Å; F190-K193 WeakPolarHBondContact O-CB 3.43Å; F190-K193 PolarHBondContact O-N 3.3Å; F190-V194 HydrophobicContact CD1-CG2 3.97Å; F190-V194 HydrophobicContact CE1-CG2 3.5Å; F190-V194 HydrophobicContact CE2-CG2 4.41Å; F190-V194 HydrophobicContact CZ-CG2 3.76Å; F190-V194 PolarHBondContact O-N 3.14Å
191	E	98	Very high	96.8	Very high	15 Å²	15	58.2 Å²	58.2	7%	0.07	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-40.7	178.5	-68.1	170.3	162.6	0	0	111.8	H174 L177 S178 Q186 S187 K193 V194 M195	H174-E191 HydrophobicContact CB-CB 4.17Å; H174-E191 IonicContact CD2-OE2 2.64Å; L177-E191 HydrophobicContact CB-CB 4.31Å; L177-E191 HydrophobicContact CB-CG 4.15Å; L177-E191 HydrophobicContact CD1-CB 4.1Å; L177-E191 WeakPolarHBondContact CD1-O 3.46Å; S178-E191 VanDerWaalsContact CA-OE1 3.25Å; S178-E191 WeakPolarHBondContact CA-OE1 3.38Å; S178-E191 WeakPolarHBondContact CB-OE1 3.47Å; S178-E191 VanDerWaalsContact OG-CD 3.23Å; S178-E191 PolarHBondContact OG-OE1 3.05Å; S178-E191 PolarHBondContact OG-OE2 2.92Å; Q186-E191 HydrophobicContact CG-CG 3.95Å; Q186-E191 PolarHBondContact NE2-OE1 3.01Å; S187-E191 WeakPolarHBondContact O-CG 3.17Å; S187-E191 PolarHBondContact O-N 2.96Å; E191-K193 VanDerWaalsContact C-N 3.34Å; E191-K193 PolarHBondContact O-N 3.03Å; E191-V194 PolarHBondContact O-N 2.72Å; E191-M195 PolarHBondContact O-N 2.95Å
192	R	97.9	Very high	97	Very high	119 Å²	119	57.2 Å²	57.2	45%	0.449	29%	0.285	S	S	.	.	H	α-helix	trans	-61.1	-40.3	172.3	-70.6	166.1	-146.5	155	7.7	112.3	H174 A188 F190 V194 M195 E196	H174-R192 HydrophobicContact CB-CG 3.91Å; H174-R192 PolarHBondContact CE1-NE 3.07Å; H174-R192 VanDerWaalsContact CE1-NE 3.3Å; H174-R192 PolarHBondContact NE2-NE 3.3Å; H174-R192 PolarHBondContact NE2-NH2 2.9Å; A188-R192 WeakPolarHBondContact O-CD 3.43Å; A188-R192 VanDerWaalsContact O-CG 3.24Å; A188-R192 WeakPolarHBondContact O-CG 3.47Å; A188-R192 PolarHBondContact O-N 3.45Å; A188-R192 PolarHBondContact O-NE 2.84Å; A188-R192 VanDerWaalsContact O-NE 3.15Å; F190-R192 VanDerWaalsContact C-N 3.31Å; F190-R192 PolarHBondContact O-N 3.4Å; R192-V194 VanDerWaalsContact C-N 3.34Å; R192-M195 PolarHBondContact O-N 3.33Å; R192-E196 WeakPolarHBondContact O-CB 3.48Å; R192-E196 WeakPolarHBondContact O-CG 3.45Å; R192-E196 PolarHBondContact O-N 3.01Å
193	K	98	Very high	97	Very high	63 Å²	63	59.5 Å²	59.5	27%	0.274	31%	0.31	S	S	.	.	H	α-helix	trans	-63.5	-39.5	174.5	-69.3	179.9	175	-175.8	0	112.2	E148 N149 A152 Q189 F190 E191 N197	E148-K193 WeakPolarHBondContact OE1-CE 3.35Å; E148-K193 IonicContact OE1-NZ 3.18Å; E148-K193 PolarHBondContact OE1-NZ 3.48Å; N149-K193 PolarHBondContact OD1-NZ 2.9Å; A152-K193 HydrophobicContact CB-CB 3.73Å; Q189-K193 PolarHBondContact O-N 3.05Å; F190-K193 WeakPolarHBondContact O-CA 3.47Å; F190-K193 WeakPolarHBondContact O-CB 3.43Å; F190-K193 PolarHBondContact O-N 3.3Å; E191-K193 VanDerWaalsContact C-N 3.34Å; E191-K193 PolarHBondContact O-N 3.03Å; K193-N197 PolarHBondContact O-N 3.36Å; K193-N197 VanDerWaalsContact O-N 3.09Å; K193-N197 PolarHBondContact O-ND2 2.89Å
194	V	98.4	Very high	97	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.8	-48.9	175.3	174.8	0	0	0	0	110.6	A152 A155 V159 L177 F190 E191 R192 E196 N197 H198	A152-V194 HydrophobicContact CB-CG2 4.03Å; A155-V194 HydrophobicContact CB-CG1 4.11Å; A155-V194 HydrophobicContact CB-CG2 3.67Å; V159-V194 HydrophobicContact CG2-CG1 3.97Å; L177-V194 HydrophobicContact CD1-CB 3.82Å; L177-V194 HydrophobicContact CD1-CG1 3.77Å; L177-V194 HydrophobicContact CD2-CG1 4Å; F190-V194 HydrophobicContact CD1-CG2 3.97Å; F190-V194 HydrophobicContact CE1-CG2 3.5Å; F190-V194 HydrophobicContact CE2-CG2 4.41Å; F190-V194 HydrophobicContact CZ-CG2 3.76Å; F190-V194 PolarHBondContact O-N 3.14Å; E191-V194 PolarHBondContact O-N 2.72Å; R192-V194 VanDerWaalsContact C-N 3.34Å; V194-E196 PolarHBondContact O-N 2.74Å; V194-N197 PolarHBondContact O-N 3.41Å; V194-N197 VanDerWaalsContact O-N 3.12Å; V194-H198 WeakPolarHBondContact O-CB 3.49Å; V194-H198 PolarHBondContact O-N 2.89Å
195	M	97.8	Very high	97	Very high	16 Å²	16	61 Å²	61	8%	0.079	31%	0.311	C	S	.	.	H	α-helix	trans	-58.3	-47.1	175.6	176.5	-176	63.7	0	0	111.9	F166 H174 Y176 L177 E191 R192 N197 H198 K199	F166-M195 HydrophobicContact CD2-CG 4.46Å; F166-M195 HydrophobicContact CE2-CG 3.84Å; F166-M195 HydrophobicContact CE2-SD 4.25Å; H174-M195 HydrophobicContact CB-CE 4.27Å; H174-M195 HydrophobicContact CB-SD 4.33Å; Y176-M195 HydrophobicContact CE1-CB 4.43Å; Y176-M195 HydrophobicContact CE1-CG 4.24Å; Y176-M195 HydrophobicContact CE1-SD 4.45Å; L177-M195 HydrophobicContact CD1-CB 4.11Å; E191-M195 PolarHBondContact O-N 2.95Å; R192-M195 PolarHBondContact O-N 3.33Å; M195-N197 PolarHBondContact O-N 2.89Å; M195-H198 PolarHBondContact O-N 2.97Å; M195-K199 WeakPolarHBondContact O-CG 3.45Å; M195-K199 PolarHBondContact O-N 3.21Å
196	E	98.1	Very high	97.2	Very high	86 Å²	86	53 Å²	53	40%	0.402	28%	0.275	S	S	.	.	H	α-helix	trans	-64.8	-23.5	178.4	-71.6	-48.8	130.2	0	0	112.8	R192 V194 K199 K200	R192-E196 WeakPolarHBondContact O-CB 3.48Å; R192-E196 WeakPolarHBondContact O-CG 3.45Å; R192-E196 PolarHBondContact O-N 3.01Å; V194-E196 PolarHBondContact O-N 2.74Å; E196-K199 IonicContact OE1-NZ 3.85Å; E196-K199 PolarHBondContact OE1-NZ 3.28Å; E196-K199 IonicContact OE2-NZ 2.69Å; E196-K200 WeakPolarHBondContact O-CE 3.33Å; E196-K200 WeakPolarHBondContact O-CG 3.4Å; E196-K200 PolarHBondContact O-NZ 3.26Å
197	N	98.3	Very high	97.1	Very high	36 Å²	36	52.1 Å²	52.1	19%	0.193	28%	0.275	C	S	.	.	H	α-helix	trans	-82.1	-42.7	170.3	-71.2	-23.4	0	0	0	112.3	A152 S156 K193 V194 M195 K199 K200	A152-N197 PolarHBondContact O-ND2 3.35Å; A152-N197 VanDerWaalsContact O-ND2 3.14Å; S156-N197 WeakPolarHBondContact OG-CB 3.17Å; K193-N197 PolarHBondContact O-N 3.36Å; K193-N197 VanDerWaalsContact O-N 3.09Å; K193-N197 PolarHBondContact O-ND2 2.89Å; V194-N197 PolarHBondContact O-N 3.41Å; V194-N197 VanDerWaalsContact O-N 3.12Å; M195-N197 PolarHBondContact O-N 2.89Å; N197-K199 VanDerWaalsContact C-N 3.28Å; N197-K199 PolarHBondContact O-N 2.89Å; N197-K200 WeakPolarHBondContact O-CA 3.31Å; N197-K200 VanDerWaalsContact O-CB 3.3Å; N197-K200 WeakPolarHBondContact O-CB 3.42Å; N197-K200 PolarHBondContact O-N 3.48Å; N197-K200 PolarHBondContact OD1-NZ 3.19Å
198	H	98.1	Very high	97.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-55.8	-40.8	176.3	179.4	-154.2	0	0	0	112	V159 Q160 G164 F166 Y176 V194 M195 K200 L201	V159-H198 HydrophobicContact CG1-CB 4.45Å; V159-H198 WeakPolarHBondContact CG1-ND1 3.34Å; Q160-H198 PolarHBondContact OE1-CD2 2.73Å; G164-H198 PolarHBondContact O-NE2 2.7Å; F166-H198 AromaticContact CD2-ND1 3.76Å; F166-H198 PolarHBondContact N-NE2 2.97Å; Y176-H198 AromaticContact CE2-ND1 3.93Å; Y176-H198 AromaticContact CZ-ND1 3.81Å; Y176-H198 PolarHBondContact OH-ND1 2.91Å; V194-H198 WeakPolarHBondContact O-CB 3.49Å; V194-H198 PolarHBondContact O-N 2.89Å; M195-H198 PolarHBondContact O-N 2.97Å; H198-K200 PolarHBondContact O-N 3.27Å; H198-L201 PolarHBondContact O-N 2.86Å
199	K	97.7	Very high	97.1	Very high	79 Å²	79	52.9 Å²	52.9	34%	0.343	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-19.9	170.6	-76.6	173	-178.2	175.7	0	115.3	F166 M195 E196 N197	F166-K199 HydrophobicContact CB-CG 4.45Å; F166-K199 HydrophobicContact CD1-CG 3.55Å; F166-K199 HydrophobicContact CD2-CG 3.97Å; F166-K199 HydrophobicContact CE1-CD 4.25Å; F166-K199 HydrophobicContact CE1-CG 3.72Å; F166-K199 HydrophobicContact CE2-CG 4.12Å; F166-K199 HydrophobicContact CG-CG 3.7Å; F166-K199 HydrophobicContact CZ-CD 4.34Å; F166-K199 HydrophobicContact CZ-CG 4.01Å; M195-K199 WeakPolarHBondContact O-CG 3.45Å; M195-K199 PolarHBondContact O-N 3.21Å; E196-K199 IonicContact OE1-NZ 3.85Å; E196-K199 PolarHBondContact OE1-NZ 3.28Å; E196-K199 IonicContact OE2-NZ 2.69Å; N197-K199 VanDerWaalsContact C-N 3.28Å; N197-K199 PolarHBondContact O-N 2.89Å
200	K	97.8	Very high	97.1	Very high	143 Å²	143	47.1 Å²	47.1	62%	0.622	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-5.4	-179.3	-48.1	-178.7	-175.2	84.9	0	113.5	E196 N197 H198	E196-K200 WeakPolarHBondContact O-CE 3.33Å; E196-K200 WeakPolarHBondContact O-CG 3.4Å; E196-K200 PolarHBondContact O-NZ 3.26Å; N197-K200 WeakPolarHBondContact O-CA 3.31Å; N197-K200 VanDerWaalsContact O-CB 3.3Å; N197-K200 WeakPolarHBondContact O-CB 3.42Å; N197-K200 PolarHBondContact O-N 3.48Å; N197-K200 PolarHBondContact OD1-NZ 3.19Å; H198-K200 PolarHBondContact O-N 3.27Å
201	L	97.8	Very high	97	Very high	21 Å²	21	50 Å²	50	11%	0.11	25%	0.254	C	S	.	.			trans	-101.4	1.2	-174.3	-59.4	179.5	0	0	0	113.6	S156 Y157 Q160 H198 G203 M204	S156-L201 WeakPolarHBondContact O-CD1 3.4Å; Y157-L201 HydrophobicContact CD1-CD1 3.77Å; Y157-L201 HydrophobicContact CD1-CD2 4.19Å; Y157-L201 HydrophobicContact CE1-CD1 4.11Å; Y157-L201 HydrophobicContact CE1-CD2 3.72Å; Q160-L201 HydrophobicContact CB-CB 4.24Å; Q160-L201 HydrophobicContact CB-CD1 3.88Å; Q160-L201 HydrophobicContact CG-CB 3.92Å; Q160-L201 HydrophobicContact CG-CD1 4.36Å; Q160-L201 PolarHBondContact NE2-O 2.92Å; H198-L201 PolarHBondContact O-N 2.86Å; L201-G203 PolarHBondContact O-N 2.83Å; L201-M204 HydrophobicContact CD2-CE 4.08Å; L201-M204 HydrophobicContact CD2-SD 4.19Å; L201-M204 WeakPolarHBondContact O-CB 3.32Å; L201-M204 PolarHBondContact O-N 3.16Å
202	V	97.2	Very high	97	Very high	87 Å²	87	50.1 Å²	50.1	53%	0.527	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	123.4	-179.8	176.9	0	0	0	0	111.5	D165 F166	D165-V202 HydrophobicContact CB-CG1 4.23Å; D165-V202 HydrophobicContact CB-CG2 4.42Å; D165-V202 WeakPolarHBondContact OD1-CA 3.29Å; F166-V202 HydrophobicContact CB-CG2 4.35Å
203	G	95.8	Very high	97	Very high	54 Å²	54	44.5 Å²	44.5	56%	0.557	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.5	-7.4	-175.1	0	0	0	0	0	114.9	D165 L201	D165-G203 PolarHBondContact OD1-N 2.74Å; L201-G203 PolarHBondContact O-N 2.83Å
204	M	96.8	Very high	97.1	Very high	51 Å²	51	41.6 Å²	41.6	25%	0.251	22%	0.224	S	C	.	.			trans	-79.7	124.2	176.7	-178.1	175.4	-75.3	0	0	111.2	Y157 Q160 L201 E208 S209	Y157-M204 HydrophobicContact CD1-SD 4.03Å; Y157-M204 HydrophobicContact CE1-CE 4.32Å; Y157-M204 HydrophobicContact CE1-SD 4.06Å; Q160-M204 HydrophobicContact CG-CB 4.16Å; Q160-M204 HydrophobicContact CG-CG 4.5Å; Q160-M204 PolarHBondContact NE2-O 3.38Å; L201-M204 HydrophobicContact CD2-CE 4.08Å; L201-M204 HydrophobicContact CD2-SD 4.19Å; L201-M204 WeakPolarHBondContact O-CB 3.32Å; L201-M204 PolarHBondContact O-N 3.16Å; M204-E208 HydrophobicContact CG-CB 3.83Å; M204-S209 PolarHBondContact SD-OG 2.97Å
205	M	94.9	Very high	97	Very high	74 Å²	74	43.3 Å²	43.3	37%	0.365	23%	0.232	S	C	.	.			trans	-73.1	153.3	179.3	-64.8	-66.5	-69.5	0	0	111.7	A207 E208 S209 Y376	M205-A207 VanDerWaalsContact C-N 3.27Å; M205-A207 PolarHBondContact O-N 3.45Å; M205-E208 HydrophobicContact CB-CG 4.18Å; M205-E208 WeakPolarHBondContact CB-OE2 3.27Å; M205-E208 PolarHBondContact N-OE2 3.18Å; M205-E208 WeakPolarHBondContact O-CB 3.35Å; M205-E208 PolarHBondContact O-N 3.32Å; M205-S209 PolarHBondContact O-N 3.29Å; M205-Y376 HydrophobicContact CE-CD1 3.63Å; M205-Y376 HydrophobicContact CE-CE1 3.96Å; M205-Y376 HydrophobicContact CE-CG 4.47Å; M205-Y376 HydrophobicContact SD-CE1 4.32Å
206	P	95.5	Very high	97	Very high	13 Å²	13	43.9 Å²	43.9	8%	0.084	24%	0.237	C	C	.	.	H	α-helix	trans	-54.3	-38.7	179.9	-29.4	36.6	0	0	0	114.3	S209 D210 Y376	P206-S209 PolarHBondContact O-N 3.02Å; P206-D210 PolarHBondContact O-N 3.38Å; P206-Y376 HydrophobicContact CG-CD2 4.21Å; P206-Y376 HydrophobicContact CG-CE2 4.32Å
207	A	93.3	Very high	97	Very high	23 Å²	23	39.8 Å²	39.8	19%	0.19	22%	0.217	C	C	.	.	H	α-helix	trans	-65.4	-38.4	176.5	0	0	0	0	0	113.1	E125 M205 I211	E125-A207 HydrophobicContact CG-CB 4.18Å; M205-A207 VanDerWaalsContact C-N 3.27Å; M205-A207 PolarHBondContact O-N 3.45Å; A207-I211 WeakPolarHBondContact O-CG1 3.48Å; A207-I211 PolarHBondContact O-N 2.83Å; A207-I211 VanDerWaalsContact O-N 3.14Å
208	E	95.8	Very high	97	Very high	103 Å²	103	42 Å²	42	48%	0.481	22%	0.223	S	C	.	.	H	α-helix	trans	-69.5	-39.2	175.1	-61.1	176.9	121.7	0	0	111.1	M204 M205 I211 A212	M204-E208 HydrophobicContact CG-CB 3.83Å; M205-E208 HydrophobicContact CB-CG 4.18Å; M205-E208 WeakPolarHBondContact CB-OE2 3.27Å; M205-E208 PolarHBondContact N-OE2 3.18Å; M205-E208 WeakPolarHBondContact O-CB 3.35Å; M205-E208 PolarHBondContact O-N 3.32Å; E208-I211 PolarHBondContact O-N 3.5Å; E208-A212 WeakPolarHBondContact O-CB 3.49Å; E208-A212 PolarHBondContact O-N 3.25Å
209	S	97.5	Very high	96.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-41.3	176.5	-117.7	0	0	0	0	112.4	Y157 Q160 M204 M205 P206 I211 A212 L213	Y157-S209 PolarHBondContact O-OG 3.04Å; Q160-S209 WeakPolarHBondContact CB-OG 3.44Å; Q160-S209 WeakPolarHBondContact CG-OG 3.43Å; M204-S209 PolarHBondContact SD-OG 2.97Å; M205-S209 PolarHBondContact O-N 3.29Å; P206-S209 PolarHBondContact O-N 3.02Å; S209-I211 VanDerWaalsContact C-N 3.34Å; S209-I211 PolarHBondContact O-N 3.23Å; S209-A212 PolarHBondContact O-N 3.33Å; S209-L213 VanDerWaalsContact O-CB 3.31Å; S209-L213 WeakPolarHBondContact O-CB 3.38Å; S209-L213 PolarHBondContact O-N 3.2Å
210	D	97.1	Very high	96.8	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.011	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-42.9	172.5	-74.9	6.5	0	0	0	111.1	Y129 A132 S161 P206 L213 L214 R362	Y129-D210 WeakPolarHBondContact CA-OD2 3.22Å; A132-D210 HydrophobicContact CB-CB 3.97Å; S161-D210 WeakPolarHBondContact CB-OD1 3.23Å; S161-D210 PolarHBondContact OG-OD1 3.14Å; P206-D210 PolarHBondContact O-N 3.38Å; D210-L213 WeakPolarHBondContact O-CB 3.48Å; D210-L213 PolarHBondContact O-N 3.14Å; D210-L214 VanDerWaalsContact O-CG 3.28Å; D210-L214 WeakPolarHBondContact O-CG 3.19Å; D210-L214 PolarHBondContact O-N 2.87Å; D210-R362 VanDerWaalsContact CG-NH1 3.33Å; D210-R362 IonicContact OD1-CZ 2.78Å; D210-R362 IonicContact OD1-NH1 2.72Å; D210-R362 PolarHBondContact OD1-NH1 3.37Å; D210-R362 IonicContact OD2-CZ 2.71Å; D210-R362 VanDerWaalsContact OD2-CZ 3.25Å; D210-R362 IonicContact OD2-NH1 3.56Å; D210-R362 PolarHBondContact OD2-NH1 3.33Å; D210-R362 IonicContact OD2-NH2 2.7Å; D210-R362 PolarHBondContact OD2-NH2 3.3Å
211	I	96.3	Very high	96.6	Very high	65 Å²	65	45.4 Å²	45.4	33%	0.333	24%	0.236	S	C	.	.	H	α-helix	trans	-62.8	-44	175.1	-70.2	166.6	0	0	0	110.8	A207 E208 S209 L213 L214 E215	A207-I211 WeakPolarHBondContact O-CG1 3.48Å; A207-I211 PolarHBondContact O-N 2.83Å; A207-I211 VanDerWaalsContact O-N 3.14Å; E208-I211 PolarHBondContact O-N 3.5Å; S209-I211 VanDerWaalsContact C-N 3.34Å; S209-I211 PolarHBondContact O-N 3.23Å; I211-L213 PolarHBondContact O-N 3.42Å; I211-L214 PolarHBondContact O-N 3.33Å; I211-E215 VanDerWaalsContact O-CB 3.31Å; I211-E215 WeakPolarHBondContact O-CB 3.42Å; I211-E215 PolarHBondContact O-N 2.94Å
212	A	97.8	Very high	96.5	Very high	18 Å²	18	45.8 Å²	45.8	15%	0.149	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-36	178.3	0	0	0	0	0	112.9	Y157 E208 S209 T216	Y157-A212 HydrophobicContact CD1-CB 3.81Å; Y157-A212 HydrophobicContact CD2-CB 4.38Å; Y157-A212 HydrophobicContact CE1-CB 3.51Å; Y157-A212 HydrophobicContact CE2-CB 4.1Å; Y157-A212 HydrophobicContact CG-CB 4.25Å; E208-A212 WeakPolarHBondContact O-CB 3.49Å; E208-A212 PolarHBondContact O-N 3.25Å; S209-A212 PolarHBondContact O-N 3.33Å; A212-T216 WeakPolarHBondContact O-CB 3.43Å; A212-T216 PolarHBondContact O-N 3.23Å; A212-T216 PolarHBondContact O-OG1 2.68Å
213	L	98.5	Very high	96.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-60.4	-51.6	171.2	178.6	70.3	0	0	0	110.7	A132 I135 L154 Y157 I158 S209 D210 I211 T216 A217	A132-L213 HydrophobicContact CB-CD2 3.77Å; I135-L213 HydrophobicContact CB-CD2 4.4Å; I135-L213 HydrophobicContact CG2-CD1 4.04Å; I135-L213 HydrophobicContact CG2-CD2 4.23Å; I135-L213 HydrophobicContact CG2-CG 4.01Å; L154-L213 HydrophobicContact CB-CD1 3.85Å; L154-L213 HydrophobicContact CD2-CD1 3.67Å; L154-L213 HydrophobicContact CG-CD1 4.38Å; L154-L213 VanDerWaalsContact O-CD1 3.28Å; L154-L213 WeakPolarHBondContact O-CD1 3.42Å; Y157-L213 HydrophobicContact CD2-CB 4.39Å; Y157-L213 HydrophobicContact CG-CB 4.46Å; I158-L213 HydrophobicContact CD1-CD1 4.13Å; I158-L213 HydrophobicContact CD1-CD2 4.37Å; I158-L213 HydrophobicContact CG1-CD1 3.95Å; I158-L213 HydrophobicContact CG1-CD2 3.77Å; S209-L213 VanDerWaalsContact O-CB 3.31Å; S209-L213 WeakPolarHBondContact O-CB 3.38Å; S209-L213 PolarHBondContact O-N 3.2Å; D210-L213 WeakPolarHBondContact O-CB 3.48Å; D210-L213 PolarHBondContact O-N 3.14Å; I211-L213 PolarHBondContact O-N 3.42Å; L213-T216 PolarHBondContact O-N 2.83Å; L213-A217 VanDerWaalsContact O-CB 3.26Å; L213-A217 WeakPolarHBondContact O-CB 3.46Å; L213-A217 PolarHBondContact O-N 3.5Å
214	L	98.2	Very high	96.5	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-40.1	-179.5	-64.8	177.4	0	0	0	112.3	P119 R128 F131 I135 D210 I211 T216 A217 R218	P119-L214 HydrophobicContact CB-CB 3.79Å; P119-L214 HydrophobicContact CB-CD1 4.18Å; P119-L214 HydrophobicContact CG-CB 3.58Å; R128-L214 HydrophobicContact CB-CD1 4.34Å; F131-L214 HydrophobicContact CB-CD1 3.92Å; F131-L214 HydrophobicContact CB-CD2 3.88Å; I135-L214 HydrophobicContact CG1-CD2 3.77Å; D210-L214 VanDerWaalsContact O-CG 3.28Å; D210-L214 WeakPolarHBondContact O-CG 3.19Å; D210-L214 PolarHBondContact O-N 2.87Å; I211-L214 PolarHBondContact O-N 3.33Å; L214-T216 VanDerWaalsContact C-N 3.26Å; L214-T216 PolarHBondContact O-N 2.83Å; L214-A217 PolarHBondContact O-N 3.44Å; L214-R218 PolarHBondContact O-N 3.4Å
215	E	97.8	Very high	96.5	Very high	37 Å²	37	37.9 Å²	37.9	17%	0.173	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-34.9	172.8	-93	-59.3	128.1	0	0	112.5	P119 I211 R218 R219	P119-E215 WeakPolarHBondContact CD-OE1 3.36Å; I211-E215 VanDerWaalsContact O-CB 3.31Å; I211-E215 WeakPolarHBondContact O-CB 3.42Å; I211-E215 PolarHBondContact O-N 2.94Å; E215-R218 VanDerWaalsContact CD-NH2 3.33Å; E215-R218 IonicContact OE1-CZ 3.66Å; E215-R218 IonicContact OE1-NE 3.09Å; E215-R218 PolarHBondContact OE1-NE 3.29Å; E215-R218 IonicContact OE1-NH2 2.83Å; E215-R218 PolarHBondContact OE1-NH2 2.83Å; E215-R218 IonicContact OE2-CZ 3.65Å; E215-R218 IonicContact OE2-NE 2.73Å; E215-R218 PolarHBondContact OE2-NE 3.42Å; E215-R218 IonicContact OE2-NH2 2.91Å; E215-R218 PolarHBondContact OE2-NH2 2.91Å; E215-R219 VanDerWaalsContact O-CD 3.24Å; E215-R219 WeakPolarHBondContact O-CD 3.4Å; E215-R219 VanDerWaalsContact O-CG 3.31Å; E215-R219 WeakPolarHBondContact O-CG 3.4Å; E215-R219 PolarHBondContact O-NE 3.2Å; E215-R219 IonicContact OE2-CZ 2.87Å; E215-R219 IonicContact OE2-NE 2.63Å; E215-R219 IonicContact OE2-NH2 3.26Å; E215-R219 PolarHBondContact OE2-NH2 3.07Å
216	T	97.9	Very high	96.5	Very high	27 Å²	27	36.8 Å²	36.8	17%	0.166	18%	0.175	C	C	.	.	H	α-helix	trans	-79.2	-42.9	176.4	-57.2	0	0	0	0	111.2	T150 V153 L154 A212 L213 L214 R218 R219	T150-T216 HydrophobicContact CG2-CG2 4.46Å; V153-T216 HydrophobicContact CG1-CG2 4.28Å; L154-T216 HydrophobicContact CD2-CG2 3.64Å; L154-T216 HydrophobicContact CG-CG2 4.2Å; A212-T216 WeakPolarHBondContact O-CB 3.43Å; A212-T216 PolarHBondContact O-N 3.23Å; A212-T216 PolarHBondContact O-OG1 2.68Å; L213-T216 PolarHBondContact O-N 2.83Å; L214-T216 VanDerWaalsContact C-N 3.26Å; L214-T216 PolarHBondContact O-N 2.83Å; T216-R218 PolarHBondContact O-N 2.96Å; T216-R219 WeakPolarHBondContact O-CB 3.49Å; T216-R219 PolarHBondContact O-N 3.16Å
217	A	98.2	Very high	96.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-44.8	-177.1	0	0	0	0	0	112.2	I135 L144 L154 L213 L214 R219 C220 Y223	I135-A217 HydrophobicContact CD1-CB 4.09Å; I135-A217 HydrophobicContact CG1-CB 4.04Å; I135-A217 HydrophobicContact CG2-CB 3.77Å; L144-A217 HydrophobicContact CD2-CB 4.22Å; L154-A217 HydrophobicContact CD2-CB 4.05Å; L213-A217 VanDerWaalsContact O-CB 3.26Å; L213-A217 WeakPolarHBondContact O-CB 3.46Å; L213-A217 PolarHBondContact O-N 3.5Å; L214-A217 PolarHBondContact O-N 3.44Å; A217-R219 PolarHBondContact O-N 3.01Å; A217-C220 VanDerWaalsContact O-CB 3.27Å; A217-C220 WeakPolarHBondContact O-CB 3.06Å; A217-C220 PolarHBondContact O-N 3.09Å; A217-Y223 HydrophobicContact CB-CD2 4.02Å; A217-Y223 HydrophobicContact CB-CE2 4.22Å; A217-Y223 WeakPolarHBondContact O-CB 3.5Å
218	R	96.6	Very high	96.5	Very high	83 Å²	83	39.6 Å²	39.6	31%	0.313	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.1	179.5	78.7	-168.7	-169.7	107.5	-7.6	114.7	P117 N118 P119 L214 E215 T216 Y223	P117-R218 PolarHBondContact O-NH1 2.78Å; N118-R218 PolarHBondContact OD1-NH1 3.47Å; P119-R218 VanDerWaalsContact CD-CD 3.44Å; L214-R218 PolarHBondContact O-N 3.4Å; E215-R218 VanDerWaalsContact CD-NH2 3.33Å; E215-R218 IonicContact OE1-CZ 3.66Å; E215-R218 IonicContact OE1-NE 3.09Å; E215-R218 PolarHBondContact OE1-NE 3.29Å; E215-R218 IonicContact OE1-NH2 2.83Å; E215-R218 PolarHBondContact OE1-NH2 2.83Å; E215-R218 IonicContact OE2-CZ 3.65Å; E215-R218 IonicContact OE2-NE 2.73Å; E215-R218 PolarHBondContact OE2-NE 3.42Å; E215-R218 IonicContact OE2-NH2 2.91Å; E215-R218 PolarHBondContact OE2-NH2 2.91Å; T216-R218 PolarHBondContact O-N 2.96Å; R218-Y223 HydrophobicContact CB-CD1 4.32Å; R218-Y223 HydrophobicContact CB-CD2 4.34Å; R218-Y223 HydrophobicContact CB-CE1 4.22Å; R218-Y223 HydrophobicContact CB-CE2 4.22Å; R218-Y223 HydrophobicContact CB-CG 4.39Å
219	R	96.3	Very high	96.5	Very high	179 Å²	179	40.5 Å²	40.5	68%	0.675	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-9.5	176.7	-57.3	170.8	-164.2	-173.1	4.8	112.3	E215 T216 A217	E215-R219 VanDerWaalsContact O-CD 3.24Å; E215-R219 WeakPolarHBondContact O-CD 3.4Å; E215-R219 VanDerWaalsContact O-CG 3.31Å; E215-R219 WeakPolarHBondContact O-CG 3.4Å; E215-R219 PolarHBondContact O-NE 3.2Å; E215-R219 IonicContact OE2-CZ 2.87Å; E215-R219 IonicContact OE2-NE 2.63Å; E215-R219 IonicContact OE2-NH2 3.26Å; E215-R219 PolarHBondContact OE2-NH2 3.07Å; T216-R219 WeakPolarHBondContact O-CB 3.49Å; T216-R219 PolarHBondContact O-N 3.16Å; A217-R219 PolarHBondContact O-N 3.01Å
220	C	95.9	Very high	96.5	Very high	17 Å²	17	40.8 Å²	40.8	12%	0.115	19%	0.189	C	C	.	.	S	Bend	trans	-80.2	137.5	174	-57.7	0	0	0	0	110.3	L144 C146 A217 F222 Y223	L144-C220 HydrophobicContact CD1-CB 3.9Å; C146-C220 HydrophobicContact CB-CB 4.44Å; A217-C220 VanDerWaalsContact O-CB 3.27Å; A217-C220 WeakPolarHBondContact O-CB 3.06Å; A217-C220 PolarHBondContact O-N 3.09Å; C220-F222 PolarHBondContact O-N 3.31Å; C220-F222 VanDerWaalsContact O-N 3.14Å; C220-Y223 WeakPolarHBondContact O-CB 3.27Å; C220-Y223 PolarHBondContact O-N 3.48Å; C220-Y223 VanDerWaalsContact O-N 3.16Å
221	E	93.4	Very high	96.5	Very high	97 Å²	97	45.4 Å²	45.4	45%	0.453	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.8	-175.7	179	168.6	174.5	0	0	113.8	Y250 C255	E221-Y250 WeakPolarHBondContact OE1-CE1 3.41Å; E221-C255 VanDerWaalsContact OE1-CB 3.32Å; E221-C255 WeakPolarHBondContact OE1-CB 3.36Å
222	F	96.3	Very high	96.4	Very high	29 Å²	29	44 Å²	44	13%	0.127	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	6.9	-175.7	-57.7	-90.4	0	0	0	113.6	M145 C220 G224 I225 F227 Y250 L253	M145-F222 HydrophobicContact CB-CB 4.17Å; M145-F222 HydrophobicContact CB-CD1 4.38Å; M145-F222 HydrophobicContact CB-CD2 3.73Å; M145-F222 HydrophobicContact CB-CE2 4.23Å; M145-F222 HydrophobicContact CB-CG 3.82Å; M145-F222 HydrophobicContact CG-CG 4.44Å; M145-F222 VanDerWaalsContact O-CD2 3.25Å; M145-F222 WeakPolarHBondContact O-CD2 3.4Å; M145-F222 HydrophobicContact SD-CD1 4.47Å; M145-F222 HydrophobicContact SD-CE1 4.47Å; C220-F222 PolarHBondContact O-N 3.31Å; C220-F222 VanDerWaalsContact O-N 3.14Å; F222-G224 PolarHBondContact O-N 3.43Å; F222-I225 HydrophobicContact CB-CB 4.45Å; F222-I225 WeakPolarHBondContact O-CB 3.47Å; F222-I225 PolarHBondContact O-N 2.88Å; F222-F227 HydrophobicContact CD1-CE2 4.42Å; F222-F227 AromaticContact CD1-CZ 3.99Å; F222-F227 HydrophobicContact CD1-CZ 3.99Å; F222-F227 AromaticContact CE1-CZ 3.95Å; F222-F227 HydrophobicContact CE1-CZ 3.95Å; F222-Y250 HydrophobicContact CE1-CE1 4.17Å; F222-L253 HydrophobicContact CE1-CB 4.35Å; F222-L253 HydrophobicContact CE1-CD2 4.25Å; F222-L253 HydrophobicContact CZ-CB 4.28Å
223	Y	97.5	Very high	95.9	Very high	13 Å²	13	48.6 Å²	48.6	5%	0.051	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	120.5	174	177.7	-96.4	0	0	0	111.6	Y115 T116 I135 A217 R218 C220 I225	Y115-Y223 HydrophobicContact CD1-CE1 4.19Å; Y115-Y223 HydrophobicContact CD1-CE2 4.16Å; Y115-Y223 AromaticContact CD1-CZ 3.93Å; T116-Y223 WeakPolarHBondContact O-CE1 3.32Å; T116-Y223 PolarHBondContact O-OH 3.03Å; I135-Y223 HydrophobicContact CD1-CD2 3.99Å; I135-Y223 HydrophobicContact CD1-CE2 3.79Å; A217-Y223 HydrophobicContact CB-CD2 4.02Å; A217-Y223 HydrophobicContact CB-CE2 4.22Å; A217-Y223 WeakPolarHBondContact O-CB 3.5Å; R218-Y223 HydrophobicContact CB-CD1 4.32Å; R218-Y223 HydrophobicContact CB-CD2 4.34Å; R218-Y223 HydrophobicContact CB-CE1 4.22Å; R218-Y223 HydrophobicContact CB-CE2 4.22Å; R218-Y223 HydrophobicContact CB-CG 4.39Å; C220-Y223 WeakPolarHBondContact O-CB 3.27Å; C220-Y223 PolarHBondContact O-N 3.48Å; C220-Y223 VanDerWaalsContact O-N 3.16Å; Y223-I225 PolarHBondContact O-N 3.15Å; Y223-I225 VanDerWaalsContact O-N 3.16Å
224	G	95.9	Very high	95.6	Very high	9 Å²	9	56.5 Å²	56.5	9%	0.093	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	3.6	-176.4	0	0	0	0	0	115.5	F222 K226	F222-G224 PolarHBondContact O-N 3.43Å; G224-K226 PolarHBondContact O-N 2.88Å
225	I	95.9	Very high	95.4	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.026	29%	0.286	C	S	.	.			trans	-74.1	111.2	-179.6	-65.7	-65.1	0	0	0	110.1	F222 Y223 F227 A241 L243 K248 Y250	F222-I225 HydrophobicContact CB-CB 4.45Å; F222-I225 WeakPolarHBondContact O-CB 3.47Å; F222-I225 PolarHBondContact O-N 2.88Å; Y223-I225 PolarHBondContact O-N 3.15Å; Y223-I225 VanDerWaalsContact O-N 3.16Å; I225-F227 HydrophobicContact CG2-CD1 3.77Å; I225-F227 HydrophobicContact CG2-CD2 4.24Å; I225-F227 HydrophobicContact CG2-CE1 3.42Å; I225-F227 VanDerWaalsContact CG2-CE1 3.42Å; I225-F227 HydrophobicContact CG2-CE2 3.92Å; I225-F227 HydrophobicContact CG2-CG 4.17Å; I225-F227 HydrophobicContact CG2-CZ 3.5Å; I225-A241 HydrophobicContact CD1-CB 3.76Å; I225-A241 HydrophobicContact CG2-CB 4.14Å; I225-L243 HydrophobicContact CD1-CD1 3.75Å; I225-L243 HydrophobicContact CD1-CD2 3.76Å; I225-L243 HydrophobicContact CD1-CG 4.08Å; I225-K248 HydrophobicContact CD1-CD 4.14Å; I225-Y250 HydrophobicContact CD1-CE2 3.99Å
226	K	94.3	Very high	95.3	Very high	50 Å²	50	59.2 Å²	59.2	22%	0.217	29%	0.293	C	S	.	.			trans	-115.1	108.7	168.2	-49.4	-59.4	177.8	-171.9	0	108.3	Y115 D138 E143 G224 H228	Y115-K226 VanDerWaalsContact OH-CE 3.24Å; Y115-K226 WeakPolarHBondContact OH-CE 3.21Å; Y115-K226 PolarHBondContact OH-NZ 2.91Å; D138-K226 IonicContact OD1-NZ 3.02Å; D138-K226 PolarHBondContact OD1-NZ 3.37Å; D138-K226 IonicContact OD2-NZ 2.68Å; D138-K226 PolarHBondContact OD2-NZ 2.8Å; E143-K226 VanDerWaalsContact OE2-CD 3.31Å; E143-K226 WeakPolarHBondContact OE2-CD 3.31Å; E143-K226 WeakPolarHBondContact OE2-CE 3.41Å; E143-K226 IonicContact OE2-NZ 3.77Å; E143-K226 PolarHBondContact OE2-NZ 3.03Å; G224-K226 PolarHBondContact O-N 2.88Å; K226-H228 PolarHBondContact O-CE1 3.13Å; K226-H228 PolarHBondContact O-ND1 3.07Å
227	F	95	Very high	95.2	Very high	71 Å²	71	61.1 Å²	61.1	31%	0.311	31%	0.311	S	S	.	.			trans	-73	146.3	-172.5	-68.9	-60.1	0	0	0	113.9	F222 I225 S239 Y250 L253	F222-F227 HydrophobicContact CD1-CE2 4.42Å; F222-F227 AromaticContact CD1-CZ 3.99Å; F222-F227 HydrophobicContact CD1-CZ 3.99Å; F222-F227 AromaticContact CE1-CZ 3.95Å; F222-F227 HydrophobicContact CE1-CZ 3.95Å; I225-F227 HydrophobicContact CG2-CD1 3.77Å; I225-F227 HydrophobicContact CG2-CD2 4.24Å; I225-F227 HydrophobicContact CG2-CE1 3.42Å; I225-F227 VanDerWaalsContact CG2-CE1 3.42Å; I225-F227 HydrophobicContact CG2-CE2 3.92Å; I225-F227 HydrophobicContact CG2-CG 4.17Å; I225-F227 HydrophobicContact CG2-CZ 3.5Å; F227-S239 VanDerWaalsContact CD1-CB 3.49Å; F227-Y250 HydrophobicContact CE1-CD1 4.26Å; F227-Y250 AromaticContact CE1-CD2 3.72Å; F227-Y250 HydrophobicContact CE1-CD2 3.72Å; F227-Y250 HydrophobicContact CE1-CE2 4.21Å; F227-Y250 AromaticContact CE1-CG 3.75Å; F227-Y250 HydrophobicContact CE1-CG 3.75Å; F227-Y250 HydrophobicContact CZ-CG 4.45Å; F227-L253 HydrophobicContact CE2-CD2 3.75Å; F227-L253 HydrophobicContact CZ-CD2 3.78Å
228	H	95.1	Very high	95.2	Very high	24 Å²	24	61.5 Å²	61.5	11%	0.111	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.7	172	-55.7	72.9	0	0	0	108.6	K226 S239 L240 F294 F303 K306	K226-H228 PolarHBondContact O-CE1 3.13Å; K226-H228 PolarHBondContact O-ND1 3.07Å; H228-S239 WeakPolarHBondContact O-CA 3.39Å; H228-L240 PolarHBondContact N-O 3.14Å; H228-L240 PolarHBondContact ND1-O 3.23Å; H228-L240 PolarHBondContact O-N 3.36Å; H228-F294 HydrophobicContact CB-CE1 4.07Å; H228-F303 HydrophobicContact CB-CD2 3.85Å; H228-F303 HydrophobicContact CB-CE2 4.22Å; H228-F303 AromaticContact CD2-CD2 3.8Å; H228-F303 AromaticContact CG-CD2 3.5Å; H228-F303 VanDerWaalsContact CG-CD2 3.5Å; H228-F303 AromaticContact CG-CE2 3.94Å; H228-F303 AromaticContact ND1-CD2 3.66Å; H228-F303 AromaticContact ND1-CE2 3.71Å; H228-K306 VanDerWaalsContact NE2-CD 3.34Å; H228-K306 WeakPolarHBondContact NE2-CD 3.37Å; H228-K306 PolarHBondContact NE2-NZ 3.04Å
229	Q	95.9	Very high	95.3	Very high	122 Å²	122	58.4 Å²	58.4	57%	0.57	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	134.5	-173.3	-58.2	-57.9	-11.4	0	0	112.3	S239 F294	Q229-S239 VanDerWaalsContact CD-OG 3.32Å; Q229-S239 PolarHBondContact NE2-OG 2.97Å; Q229-S239 VanDerWaalsContact NE2-OG 3.16Å; Q229-S239 PolarHBondContact OE1-OG 3.09Å; Q229-F294 WeakPolarHBondContact O-CD1 3.28Å
230	A	97.2	Very high	95.3	Very high	7 Å²	7	50 Å²	50	6%	0.058	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	-178.7	177.4	0	0	0	0	0	110.3	V238 L240 F292 V293 F294	A230-V238 CarbonylContact C-O 3.47Å; A230-V238 HydrophobicContact CB-CG2 4.41Å; A230-V238 PolarHBondContact N-O 3.32Å; A230-V238 PolarHBondContact O-N 3.02Å; A230-L240 HydrophobicContact CB-CD1 4.15Å; A230-L240 HydrophobicContact CB-CG 4.33Å; A230-F292 HydrophobicContact CB-CB 4.27Å; A230-V293 CarbonylContact C-O 3.48Å; A230-V293 VanDerWaalsContact CA-O 3.32Å; A230-V293 WeakPolarHBondContact CA-O 3.34Å; A230-F294 HydrophobicContact CB-CD2 4.23Å; A230-F294 HydrophobicContact CB-CE2 4.18Å; A230-F294 HydrophobicContact CB-CG 4.4Å; A230-F294 HydrophobicContact CB-CZ 4.33Å
231	K	97.5	Very high	95.4	Very high	98 Å²	98	49.2 Å²	49.2	43%	0.426	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.9	168.2	-64.3	170.5	-175.6	166.9	0	109.3	T236 F292 V293	K231-T236 CarbonylContact C-O 3.55Å; K231-T236 WeakPolarHBondContact CA-O 3.44Å; K231-F292 CarbonylContact O-C 3.57Å; K231-F292 VanDerWaalsContact O-CA 3.23Å; K231-F292 WeakPolarHBondContact O-CA 3.37Å; K231-V293 PolarHBondContact N-O 3.29Å; K231-V293 PolarHBondContact O-N 3.31Å
232	D	94.1	Very high	95.6	Very high	37 Å²	37	45.1 Å²	45.1	20%	0.198	25%	0.249	C	C	.	.			trans	-80	-167.6	171	65.7	17	0	0	0	111.9	E234 G235 T236 F292	D232-E234 VanDerWaalsContact C-N 3.29Å; D232-E234 WeakPolarHBondContact OD1-CA 3.45Å; D232-E234 WeakPolarHBondContact OD1-CB 3.49Å; D232-E234 PolarHBondContact OD1-N 2.95Å; D232-G235 PolarHBondContact O-N 3.19Å; D232-G235 PolarHBondContact OD1-N 2.85Å; D232-T236 PolarHBondContact N-O 2.96Å; D232-T236 PolarHBondContact OD1-N 3.23Å; D232-T236 VanDerWaalsContact OD2-CB 3.31Å; D232-T236 WeakPolarHBondContact OD2-CB 3.38Å; D232-T236 PolarHBondContact OD2-OG1 3.44Å; D232-F292 HydrophobicContact CB-CD1 4.42Å; D232-F292 HydrophobicContact CB-CE1 4.45Å
233	V	87.6	Confident	95.6	Very high	113 Å²	113	44.4 Å²	44.4	69%	0.685	25%	0.246	S	C	*	.	S	Bend	trans	-73.1	-17.6	177.1	-64.4	0	0	0	0	114	S291	V233-S291 WeakPolarHBondContact CG1-O 3.24Å
234	E	91.1	Very high	95.5	Very high	168 Å²	168	45.7 Å²	45.7	79%	0.785	25%	0.253	S	S	*	.	S	Bend	trans	-89.5	-11.5	175.8	-54.5	-169.8	169.4	0	0	111.4	D232	D232-E234 VanDerWaalsContact C-N 3.29Å; D232-E234 WeakPolarHBondContact OD1-CA 3.45Å; D232-E234 WeakPolarHBondContact OD1-CB 3.49Å; D232-E234 PolarHBondContact OD1-N 2.95Å
235	G	93.3	Very high	95.4	Very high	44 Å²	44	47.7 Å²	47.7	45%	0.454	26%	0.261	S	S	.	.			trans	93.2	1.1	-177.3	0	0	0	0	0	113.8	D232	D232-G235 PolarHBondContact O-N 3.19Å; D232-G235 PolarHBondContact OD1-N 2.85Å
236	T	95.9	Very high	95.3	Very high	51 Å²	51	47.5 Å²	47.5	31%	0.313	26%	0.26	S	S	.	.			trans	-66	134	179.9	-48.2	0	0	0	0	110	K231 D232 V238	K231-T236 CarbonylContact C-O 3.55Å; K231-T236 WeakPolarHBondContact CA-O 3.44Å; D232-T236 PolarHBondContact N-O 2.96Å; D232-T236 PolarHBondContact OD1-N 3.23Å; D232-T236 VanDerWaalsContact OD2-CB 3.31Å; D232-T236 WeakPolarHBondContact OD2-CB 3.38Å; D232-T236 PolarHBondContact OD2-OG1 3.44Å; T236-V238 PolarHBondContact O-N 3.45Å
237	A	97.3	Very high	95.4	Very high	67 Å²	67	45.3 Å²	45.3	55%	0.554	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	122.9	177.7	0	0	0	0	0	111	H251	A237-H251 PolarHBondContact O-CD2 3.48Å
238	V	97.6	Very high	95.5	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.042	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.1	-178.7	-65.3	0	0	0	0	110.9	A230 T236 V249 Y250 F292	A230-V238 CarbonylContact C-O 3.47Å; A230-V238 HydrophobicContact CB-CG2 4.41Å; A230-V238 PolarHBondContact N-O 3.32Å; A230-V238 PolarHBondContact O-N 3.02Å; T236-V238 PolarHBondContact O-N 3.45Å; V238-V249 HydrophobicContact CB-CG1 4.21Å; V238-V249 HydrophobicContact CG1-CG1 4.39Å; V238-Y250 CarbonylContact C-O 3.55Å; V238-Y250 WeakPolarHBondContact CA-O 3.37Å; V238-F292 HydrophobicContact CG2-CD1 3.92Å; V238-F292 HydrophobicContact CG2-CE1 4.23Å
239	S	97.4	Very high	95.6	Very high	18 Å²	18	42.6 Å²	42.6	13%	0.126	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.9	175.4	-51.9	0	0	0	0	109.9	F227 H228 Q229 Y250	F227-S239 VanDerWaalsContact CD1-CB 3.49Å; H228-S239 WeakPolarHBondContact O-CA 3.39Å; Q229-S239 VanDerWaalsContact CD-OG 3.32Å; Q229-S239 PolarHBondContact NE2-OG 2.97Å; Q229-S239 VanDerWaalsContact NE2-OG 3.16Å; Q229-S239 PolarHBondContact OE1-OG 3.09Å; S239-Y250 PolarHBondContact N-O 3.37Å; S239-Y250 WeakPolarHBondContact O-CB 3.31Å; S239-Y250 PolarHBondContact O-N 3.31Å
240	L	97.7	Very high	95.7	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	142.2	177.2	-58.7	-178.3	0	0	0	111.1	H228 A230 V249 F274 F292 F294 F303	H228-L240 PolarHBondContact N-O 3.14Å; H228-L240 PolarHBondContact ND1-O 3.23Å; H228-L240 PolarHBondContact O-N 3.36Å; A230-L240 HydrophobicContact CB-CD1 4.15Å; A230-L240 HydrophobicContact CB-CG 4.33Å; L240-V249 HydrophobicContact CD2-CB 4.23Å; L240-V249 HydrophobicContact CD2-CG1 4.03Å; L240-V249 HydrophobicContact CD2-CG2 3.87Å; L240-F274 HydrophobicContact CD1-CD1 4.35Å; L240-F292 HydrophobicContact CD1-CB 3.92Å; L240-F292 HydrophobicContact CD1-CD1 4.38Å; L240-F292 HydrophobicContact CD1-CD2 4.02Å; L240-F292 HydrophobicContact CD1-CG 3.84Å; L240-F292 HydrophobicContact CD2-CD1 4.07Å; L240-F292 HydrophobicContact CD2-CD2 4.36Å; L240-F292 HydrophobicContact CD2-CE1 4.03Å; L240-F292 HydrophobicContact CD2-CE2 4.31Å; L240-F292 HydrophobicContact CD2-CG 4.24Å; L240-F292 HydrophobicContact CD2-CZ 4.16Å; L240-F294 HydrophobicContact CD1-CE2 3.91Å; L240-F294 HydrophobicContact CD1-CZ 3.85Å; L240-F303 HydrophobicContact CB-CE1 4.03Å; L240-F303 HydrophobicContact CB-CE2 3.96Å; L240-F303 HydrophobicContact CB-CZ 3.55Å; L240-F303 HydrophobicContact CD1-CD1 4.38Å; L240-F303 HydrophobicContact CD1-CE1 3.88Å; L240-F303 HydrophobicContact CD1-CZ 4.29Å
241	A	97.7	Very high	95.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	155.5	173.2	0	0	0	0	0	110.4	I225 L243 L247 K248	I225-A241 HydrophobicContact CD1-CB 3.76Å; I225-A241 HydrophobicContact CG2-CB 4.14Å; A241-L243 HydrophobicContact CB-CD1 4.44Å; A241-L247 WeakPolarHBondContact O-CA 3.42Å; A241-K248 PolarHBondContact N-O 2.94Å; A241-K248 PolarHBondContact O-N 3.39Å
242	V	97.5	Very high	95.4	Very high	11 Å²	11	41.9 Å²	41.9	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.4	176.4	62.3	0	0	0	0	109.7	W261 F303 K306 C307 H310	V242-W261 HydrophobicContact CG2-CH2 3.73Å; V242-W261 HydrophobicContact CG2-CZ2 3.61Å; V242-F303 HydrophobicContact CG1-CE2 4.48Å; V242-K306 HydrophobicContact CG1-CB 4.26Å; V242-C307 HydrophobicContact CG2-CB 4.49Å; V242-H310 HydrophobicContact CG2-CB 3.72Å
243	L	96.9	Very high	95.4	Very high	13 Å²	13	43.9 Å²	43.9	7%	0.068	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	178.5	-173.9	-54	93.2	0	0	0	110.7	I225 A241 L245 G246 K248 W261	I225-L243 HydrophobicContact CD1-CD1 3.75Å; I225-L243 HydrophobicContact CD1-CD2 3.76Å; I225-L243 HydrophobicContact CD1-CG 4.08Å; A241-L243 HydrophobicContact CB-CD1 4.44Å; L243-L245 HydrophobicContact CB-CG 4.38Å; L243-L245 PolarHBondContact O-N 3.2Å; L243-G246 PolarHBondContact N-O 3.07Å; L243-G246 PolarHBondContact O-N 3.31Å; L243-K248 HydrophobicContact CD1-CB 4.33Å; L243-K248 HydrophobicContact CD1-CD 3.97Å; L243-K248 HydrophobicContact CD1-CG 3.86Å; L243-W261 PolarHBondContact O-NE1 3.3Å
244	H	94.2	Very high	95.7	Very high	41 Å²	41	46.8 Å²	46.8	19%	0.19	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-35.3	172	58.1	-101.3	0	0	0	113.9	Y115 W261 F314	Y115-H244 PolarHBondContact O-ND1 3.17Å; H244-W261 PolarHBondContact O-NE1 3.19Å; H244-F314 VanDerWaalsContact CA-CD2 3.48Å; H244-F314 HydrophobicContact CB-CB 4.48Å; H244-F314 HydrophobicContact CB-CD1 3.58Å; H244-F314 HydrophobicContact CB-CD2 3.84Å; H244-F314 HydrophobicContact CB-CE1 3.57Å; H244-F314 HydrophobicContact CB-CE2 3.81Å; H244-F314 HydrophobicContact CB-CG 3.72Å; H244-F314 HydrophobicContact CB-CZ 3.67Å
245	L	93.4	Very high	95.9	Very high	51 Å²	51	41 Å²	41	27%	0.267	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-27.4	-175.8	64.7	88.7	0	0	0	113.8	L243 T258 S260 W261	L243-L245 HydrophobicContact CB-CG 4.38Å; L243-L245 PolarHBondContact O-N 3.2Å; L245-T258 HydrophobicContact CD1-CG2 3.39Å; L245-S260 CarbonylContact O-C 3.45Å; L245-S260 VanDerWaalsContact O-CA 3.27Å; L245-S260 WeakPolarHBondContact O-CA 3.24Å; L245-W261 VanDerWaalsContact O-CD1 3.31Å; L245-W261 PolarHBondContact O-N 3.37Å
246	G	95.3	Very high	95.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.4	-156.1	-166.8	0	0	0	0	0	113.5	L243 F259 W261	L243-G246 PolarHBondContact N-O 3.07Å; L243-G246 PolarHBondContact O-N 3.31Å; G246-F259 CarbonylContact C-O 3.58Å; G246-F259 VanDerWaalsContact CA-O 3.24Å; G246-F259 WeakPolarHBondContact CA-O 3.34Å; G246-W261 VanDerWaalsContact CA-CE2 3.49Å; G246-W261 VanDerWaalsContact N-NE1 3.19Å
247	L	96.7	Very high	95.8	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	143.5	175	-60.3	85.1	0	0	0	110.7	A241 T258 F259 W261 V264 L267 F274 V276 F303	A241-L247 WeakPolarHBondContact O-CA 3.42Å; L247-T258 CarbonylContact O-C 3.51Å; L247-T258 WeakPolarHBondContact O-CA 3.3Å; L247-F259 HydrophobicContact CB-CB 4.46Å; L247-F259 HydrophobicContact CB-CD2 4.31Å; L247-F259 PolarHBondContact N-O 2.87Å; L247-F259 PolarHBondContact O-N 3.13Å; L247-W261 HydrophobicContact CD1-CE3 4.18Å; L247-W261 HydrophobicContact CD1-CH2 3.76Å; L247-W261 HydrophobicContact CD1-CZ3 3.51Å; L247-W261 HydrophobicContact CG-CH2 4.47Å; L247-V264 HydrophobicContact CD1-CG2 4.35Å; L247-L267 HydrophobicContact CD1-CD1 4.45Å; L247-F274 HydrophobicContact CD2-CE1 3.63Å; L247-F274 HydrophobicContact CD2-CZ 3.77Å; L247-V276 HydrophobicContact CD2-CG2 4.43Å; L247-F303 HydrophobicContact CD2-CE1 4.01Å; L247-F303 HydrophobicContact CD2-CZ 4.26Å
248	K	96.5	Very high	95.7	Very high	28 Å²	28	42.8 Å²	42.8	12%	0.122	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	146.8	169.6	-71.9	-171.1	177.1	-178	0	111.4	I225 A241 L243 Y250 T258	I225-K248 HydrophobicContact CD1-CD 4.14Å; A241-K248 PolarHBondContact N-O 2.94Å; A241-K248 PolarHBondContact O-N 3.39Å; L243-K248 HydrophobicContact CD1-CB 4.33Å; L243-K248 HydrophobicContact CD1-CD 3.97Å; L243-K248 HydrophobicContact CD1-CG 3.86Å; K248-Y250 HydrophobicContact CB-CD2 4.06Å; K248-Y250 HydrophobicContact CB-CE2 3.56Å; K248-Y250 HydrophobicContact CD-CE2 3.6Å; K248-Y250 VanDerWaalsContact CD-OH 3.3Å; K248-Y250 WeakPolarHBondContact CD-OH 3.48Å; K248-Y250 HydrophobicContact CG-CE2 4.27Å; K248-Y250 PolarHBondContact NZ-OH 3.5Å; K248-T258 HydrophobicContact CG-CG2 4.32Å
249	V	97.2	Very high	95.4	Very high	10 Å²	10	42.6 Å²	42.6	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.4	174.5	-172.2	0	0	0	0	108.5	V238 L240 C255 V256 N257 F259 F292	V238-V249 HydrophobicContact CB-CG1 4.21Å; V238-V249 HydrophobicContact CG1-CG1 4.39Å; L240-V249 HydrophobicContact CD2-CB 4.23Å; L240-V249 HydrophobicContact CD2-CG1 4.03Å; L240-V249 HydrophobicContact CD2-CG2 3.87Å; V249-C255 CarbonylContact O-C 3.39Å; V249-V256 PolarHBondContact O-N 2.9Å; V249-N257 HydrophobicContact CB-CB 4.23Å; V249-N257 HydrophobicContact CG2-CB 4.22Å; V249-N257 PolarHBondContact N-O 3.03Å; V249-N257 PolarHBondContact O-N 2.63Å; V249-F259 HydrophobicContact CG2-CD2 4.29Å; V249-F259 HydrophobicContact CG2-CE2 3.55Å; V249-F259 HydrophobicContact CG2-CZ 4.27Å; V249-F292 HydrophobicContact CG1-CE1 4.02Å; V249-F292 HydrophobicContact CG1-CZ 4.3Å; V249-F292 HydrophobicContact CG2-CE1 4.24Å; V249-F292 HydrophobicContact CG2-CE2 4.46Å; V249-F292 HydrophobicContact CG2-CZ 3.69Å
250	Y	97.4	Very high	95.2	Very high	1 Å²	1	43 Å²	43	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	141.3	179.4	-74.2	-97.1	0	0	0	111.7	E221 F222 I225 F227 V238 S239 K248 L253 Y254 C255	E221-Y250 WeakPolarHBondContact OE1-CE1 3.41Å; F222-Y250 HydrophobicContact CE1-CE1 4.17Å; I225-Y250 HydrophobicContact CD1-CE2 3.99Å; F227-Y250 HydrophobicContact CE1-CD1 4.26Å; F227-Y250 AromaticContact CE1-CD2 3.72Å; F227-Y250 HydrophobicContact CE1-CD2 3.72Å; F227-Y250 HydrophobicContact CE1-CE2 4.21Å; F227-Y250 AromaticContact CE1-CG 3.75Å; F227-Y250 HydrophobicContact CE1-CG 3.75Å; F227-Y250 HydrophobicContact CZ-CG 4.45Å; V238-Y250 CarbonylContact C-O 3.55Å; V238-Y250 WeakPolarHBondContact CA-O 3.37Å; S239-Y250 PolarHBondContact N-O 3.37Å; S239-Y250 WeakPolarHBondContact O-CB 3.31Å; S239-Y250 PolarHBondContact O-N 3.31Å; K248-Y250 HydrophobicContact CB-CD2 4.06Å; K248-Y250 HydrophobicContact CB-CE2 3.56Å; K248-Y250 HydrophobicContact CD-CE2 3.6Å; K248-Y250 VanDerWaalsContact CD-OH 3.3Å; K248-Y250 WeakPolarHBondContact CD-OH 3.48Å; K248-Y250 HydrophobicContact CG-CE2 4.27Å; K248-Y250 PolarHBondContact NZ-OH 3.5Å; Y250-L253 WeakPolarHBondContact CD1-O 3.39Å; Y250-Y254 CarbonylContact C-O 3.55Å; Y250-Y254 VanDerWaalsContact CA-O 3.27Å; Y250-Y254 WeakPolarHBondContact CA-O 3.26Å; Y250-C255 HydrophobicContact CD1-CB 4.02Å; Y250-C255 HydrophobicContact CE1-CB 3.59Å
251	H	96.1	Very high	95	Very high	62 Å²	62	42.9 Å²	42.9	29%	0.287	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.9	168.8	172.6	-94.7	0	0	0	108.1	A237 L253 Y254 V256	A237-H251 PolarHBondContact O-CD2 3.48Å; H251-L253 PolarHBondContact O-N 3.33Å; H251-Y254 PolarHBondContact N-O 2.97Å; H251-Y254 PolarHBondContact O-N 3.19Å; H251-V256 HydrophobicContact CB-CG2 3.53Å
252	Q	93.4	Very high	94.5	Very high	148 Å²	148	45.9 Å²	45.9	69%	0.692	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	44.7	-176.5	-61.5	175.4	0.6	0	0	112.8	Y254	Q252-Y254 HydrophobicContact CB-CD2 4.39Å; Q252-Y254 VanDerWaalsContact O-CD2 3.26Å; Q252-Y254 WeakPolarHBondContact O-CD2 3.32Å; Q252-Y254 PolarHBondContact O-N 3.38Å; Q252-Y254 VanDerWaalsContact O-N 3.13Å
253	L	92.7	Very high	94.1	Very high	79 Å²	79	49 Å²	49	41%	0.414	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	-0.8	-175.6	-54.3	173.1	0	0	0	116.7	M145 F222 F227 Y250 H251	M145-L253 HydrophobicContact CE-CD1 3.67Å; M145-L253 HydrophobicContact SD-CD1 3.87Å; M145-L253 HydrophobicContact SD-CD2 4.16Å; F222-L253 HydrophobicContact CE1-CB 4.35Å; F222-L253 HydrophobicContact CE1-CD2 4.25Å; F222-L253 HydrophobicContact CZ-CB 4.28Å; F227-L253 HydrophobicContact CE2-CD2 3.75Å; F227-L253 HydrophobicContact CZ-CD2 3.78Å; Y250-L253 WeakPolarHBondContact CD1-O 3.39Å; H251-L253 PolarHBondContact O-N 3.33Å
254	Y	94.6	Very high	93.7	Very high	174 Å²	174	48.3 Å²	48.3	68%	0.682	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	129.3	169.5	-61.5	-79.1	0	0	0	111	Y250 H251 Q252 V256	Y250-Y254 CarbonylContact C-O 3.55Å; Y250-Y254 VanDerWaalsContact CA-O 3.27Å; Y250-Y254 WeakPolarHBondContact CA-O 3.26Å; H251-Y254 PolarHBondContact N-O 2.97Å; H251-Y254 PolarHBondContact O-N 3.19Å; Q252-Y254 HydrophobicContact CB-CD2 4.39Å; Q252-Y254 VanDerWaalsContact O-CD2 3.26Å; Q252-Y254 WeakPolarHBondContact O-CD2 3.32Å; Q252-Y254 PolarHBondContact O-N 3.38Å; Q252-Y254 VanDerWaalsContact O-N 3.13Å; Y254-V256 PolarHBondContact O-N 3.13Å; Y254-V256 VanDerWaalsContact O-N 3.14Å
255	C	95.5	Very high	93.3	Very high	46 Å²	46	52.6 Å²	52.6	31%	0.311	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	103.7	174.1	-177.1	0	0	0	0	110.6	E221 V249 Y250	E221-C255 VanDerWaalsContact OE1-CB 3.32Å; E221-C255 WeakPolarHBondContact OE1-CB 3.36Å; V249-C255 CarbonylContact O-C 3.39Å; Y250-C255 HydrophobicContact CD1-CB 4.02Å; Y250-C255 HydrophobicContact CE1-CB 3.59Å
256	V	94.1	Very high	93	Very high	98 Å²	98	51.6 Å²	51.6	59%	0.594	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	-38	-177.4	-170.7	0	0	0	0	111.8	V249 H251 Y254	V249-V256 PolarHBondContact O-N 2.9Å; H251-V256 HydrophobicContact CB-CG2 3.53Å; Y254-V256 PolarHBondContact O-N 3.13Å; Y254-V256 VanDerWaalsContact O-N 3.14Å
257	N	92.9	Very high	92.8	Very high	53 Å²	53	51.6 Å²	51.6	28%	0.283	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	156.9	-177.6	-155.2	-15.5	0	0	0	111.9	V249 F259	V249-N257 HydrophobicContact CB-CB 4.23Å; V249-N257 HydrophobicContact CG2-CB 4.22Å; V249-N257 PolarHBondContact N-O 3.03Å; V249-N257 PolarHBondContact O-N 2.63Å; N257-F259 HydrophobicContact CB-CZ 4.29Å; N257-F259 VanDerWaalsContact ND2-CE1 3.32Å; N257-F259 WeakPolarHBondContact ND2-CE1 3.26Å; N257-F259 WeakPolarHBondContact ND2-CZ 3.15Å
258	T	94.3	Very high	92.5	Very high	49 Å²	49	51.6 Å²	51.6	30%	0.301	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	113.2	177	-64.7	0	0	0	0	109.9	L245 L247 K248 S260	L245-T258 HydrophobicContact CD1-CG2 3.39Å; L247-T258 CarbonylContact O-C 3.51Å; L247-T258 WeakPolarHBondContact O-CA 3.3Å; K248-T258 HydrophobicContact CG-CG2 4.32Å; T258-S260 PolarHBondContact O-N 3.16Å
259	F	92.8	Very high	92.1	Very high	3 Å²	3	51 Å²	51	1%	0.013	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	93.3	174.4	-50	-63.4	0	0	0	108.5	G246 L247 V249 N257 V264 L278 I290 F292	G246-F259 CarbonylContact C-O 3.58Å; G246-F259 VanDerWaalsContact CA-O 3.24Å; G246-F259 WeakPolarHBondContact CA-O 3.34Å; L247-F259 HydrophobicContact CB-CB 4.46Å; L247-F259 HydrophobicContact CB-CD2 4.31Å; L247-F259 PolarHBondContact N-O 2.87Å; L247-F259 PolarHBondContact O-N 3.13Å; V249-F259 HydrophobicContact CG2-CD2 4.29Å; V249-F259 HydrophobicContact CG2-CE2 3.55Å; V249-F259 HydrophobicContact CG2-CZ 4.27Å; N257-F259 HydrophobicContact CB-CZ 4.29Å; N257-F259 VanDerWaalsContact ND2-CE1 3.32Å; N257-F259 WeakPolarHBondContact ND2-CE1 3.26Å; N257-F259 WeakPolarHBondContact ND2-CZ 3.15Å; F259-V264 HydrophobicContact CB-CG2 3.84Å; F259-L278 HydrophobicContact CD1-CD1 4.24Å; F259-L278 HydrophobicContact CD1-CD2 4.07Å; F259-L278 HydrophobicContact CE1-CD1 4.29Å; F259-I290 HydrophobicContact CD1-CD1 4.42Å; F259-I290 HydrophobicContact CE1-CD1 3.37Å; F259-I290 HydrophobicContact CZ-CD1 3.43Å; F259-I290 VanDerWaalsContact CZ-CD1 3.43Å; F259-I290 HydrophobicContact CZ-CG2 4.32Å; F259-F292 HydrophobicContact CE2-CE2 4.18Å; F259-F292 HydrophobicContact CE2-CZ 4.15Å
260	S	92.9	Very high	91.8	Very high	26 Å²	26	56.6 Å²	56.6	18%	0.182	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	148.9	173.5	56.6	0	0	0	0	110.7	L245 T258 A262 K263	L245-S260 CarbonylContact O-C 3.45Å; L245-S260 VanDerWaalsContact O-CA 3.27Å; L245-S260 WeakPolarHBondContact O-CA 3.24Å; T258-S260 PolarHBondContact O-N 3.16Å; S260-A262 PolarHBondContact O-N 3.43Å; S260-A262 VanDerWaalsContact O-N 3.14Å; S260-K263 WeakPolarHBondContact O-CB 3.28Å; S260-K263 PolarHBondContact O-N 3.39Å
261	W	93.1	Very high	91.5	Very high	3 Å²	3	65.4 Å²	65.4	1%	0.011	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-53.6	-38.6	-175.8	-67	123.4	0	0	0	113.2	V242 L243 H244 L245 G246 L247 K263 V264 L267 C307 H310 H311 R315 M472	V242-W261 HydrophobicContact CG2-CH2 3.73Å; V242-W261 HydrophobicContact CG2-CZ2 3.61Å; L243-W261 PolarHBondContact O-NE1 3.3Å; H244-W261 PolarHBondContact O-NE1 3.19Å; L245-W261 VanDerWaalsContact O-CD1 3.31Å; L245-W261 PolarHBondContact O-N 3.37Å; G246-W261 VanDerWaalsContact CA-CE2 3.49Å; G246-W261 VanDerWaalsContact N-NE1 3.19Å; L247-W261 HydrophobicContact CD1-CE3 4.18Å; L247-W261 HydrophobicContact CD1-CH2 3.76Å; L247-W261 HydrophobicContact CD1-CZ3 3.51Å; L247-W261 HydrophobicContact CG-CH2 4.47Å; W261-K263 PolarHBondContact O-N 3.42Å; W261-V264 PolarHBondContact O-N 3.39Å; W261-V264 VanDerWaalsContact O-N 3.08Å; W261-L267 HydrophobicContact CZ3-CD1 4.08Å; W261-C307 HydrophobicContact CH2-CB 4.16Å; W261-C307 WeakPolarHBondContact CH2-O 3.38Å; W261-H310 HydrophobicContact CZ2-CB 3.85Å; W261-H311 HydrophobicContact CD2-CB 4.25Å; W261-H311 AromaticContact CD2-CD2 3.77Å; W261-H311 HydrophobicContact CE3-CB 4.07Å; W261-H311 AromaticContact CE3-CD2 3.64Å; W261-H311 AromaticContact CG-CD2 3.99Å; W261-H311 HydrophobicContact CH2-CB 4.12Å; W261-H311 HydrophobicContact CZ2-CB 4.28Å; W261-H311 HydrophobicContact CZ3-CB 4Å; W261-R315 HydrophobicContact CB-CG 3.94Å; W261-R315 HydrophobicContact CG-CG 3.91Å; W261-M472 HydrophobicContact CE3-CE 4.36Å; W261-M472 HydrophobicContact CE3-SD 3.9Å; W261-M472 HydrophobicContact CZ3-CE 4.14Å; W261-M472 HydrophobicContact CZ3-SD 3.96Å
262	A	87.9	Confident	91.5	Very high	62 Å²	62	66.5 Å²	66.5	51%	0.512	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-65.4	-14.4	176.7	0	0	0	0	0	115.1	S260	S260-A262 PolarHBondContact O-N 3.43Å; S260-A262 VanDerWaalsContact O-N 3.14Å
263	K	87.8	Confident	91.6	Very high	76 Å²	76	63.3 Å²	63.3	33%	0.33	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-93.4	-17.1	173.7	-67.3	178.1	175.2	-178.5	0	112.8	S260 W261 L278 H279 T282	S260-K263 WeakPolarHBondContact O-CB 3.28Å; S260-K263 PolarHBondContact O-N 3.39Å; W261-K263 PolarHBondContact O-N 3.42Å; K263-L278 CarbonylContact O-C 3.52Å; K263-L278 WeakPolarHBondContact O-CA 3.41Å; K263-L278 WeakPolarHBondContact O-CB 3.22Å; K263-L278 WeakPolarHBondContact O-CD2 3.49Å; K263-H279 PolarHBondContact O-N 3.3Å; K263-T282 HydrophobicContact CB-CG2 4.5Å; K263-T282 HydrophobicContact CD-CG2 3.86Å; K263-T282 HydrophobicContact CG-CG2 3.95Å
264	V	88.5	Confident	91.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	108.3	-174.2	-178.3	0	0	0	0	110	L247 F259 W261 L267 V276 K277 L278 M472	L247-V264 HydrophobicContact CD1-CG2 4.35Å; F259-V264 HydrophobicContact CB-CG2 3.84Å; W261-V264 PolarHBondContact O-N 3.39Å; W261-V264 VanDerWaalsContact O-N 3.08Å; V264-L267 HydrophobicContact CG1-CD2 3.62Å; V264-L267 HydrophobicContact CG1-CG 3.86Å; V264-V276 HydrophobicContact CG1-CG1 4.07Å; V264-V276 HydrophobicContact CG2-CG1 4.03Å; V264-K277 CarbonylContact C-O 3.6Å; V264-L278 HydrophobicContact CG2-CD2 4.06Å; V264-M472 HydrophobicContact CB-SD 4.1Å; V264-M472 HydrophobicContact CG1-CG 4.18Å; V264-M472 HydrophobicContact CG1-SD 3.57Å; V264-M472 VanDerWaalsContact CG1-SD 3.57Å; V264-M472 WeakPolarHBondContact O-CB 3.36Å; V264-M472 VanDerWaalsContact O-CG 3.3Å; V264-M472 WeakPolarHBondContact O-CG 3.34Å
265	R	85.9	Confident	91.7	Very high	130 Å²	130	52.6 Å²	52.6	49%	0.491	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-38.9	177.7	-172.5	177.5	178.5	-170.8	0.8	112.5	K277 H279 F473	R265-K277 PolarHBondContact N-O 3.17Å; R265-H279 WeakPolarHBondContact CA-NE2 3.49Å; R265-F473 PolarHBondContact O-N 3.47Å
266	K	88	Confident	91.5	Very high	30 Å²	30	50.4 Å²	50.4	13%	0.13	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	139.2	-175.8	172.3	169.9	-176.5	179.9	0	112.1	C268 K277 F473 Y475	K266-C268 VanDerWaalsContact CE-SG 3.58Å; K266-K277 HydrophobicContact CB-CB 4.15Å; K266-K277 PolarHBondContact N-O 2.63Å; K266-K277 VanDerWaalsContact N-O 3.16Å; K266-K277 PolarHBondContact O-N 3.45Å; K266-F473 VanDerWaalsContact CA-O 3.28Å; K266-F473 WeakPolarHBondContact CA-O 3.24Å; K266-F473 VanDerWaalsContact CB-O 3.27Å; K266-F473 WeakPolarHBondContact CB-O 3.39Å; K266-F473 VanDerWaalsContact CG-O 3.25Å; K266-F473 WeakPolarHBondContact CG-O 3.38Å; K266-Y475 WeakPolarHBondContact CE-O 3.23Å
267	L	91.6	Very high	91.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.2	171.3	-67.2	-176.9	0	0	0	111	L247 W261 V264 F274 V276 W304 C307 M472	L247-L267 HydrophobicContact CD1-CD1 4.45Å; W261-L267 HydrophobicContact CZ3-CD1 4.08Å; V264-L267 HydrophobicContact CG1-CD2 3.62Å; V264-L267 HydrophobicContact CG1-CG 3.86Å; L267-F274 HydrophobicContact CD1-CZ 4.22Å; L267-F274 HydrophobicContact CD2-CE1 4.42Å; L267-F274 HydrophobicContact CD2-CZ 3.82Å; L267-F274 HydrophobicContact CG-CZ 4.48Å; L267-V276 HydrophobicContact CD2-CB 4.18Å; L267-V276 HydrophobicContact CD2-CG1 4.01Å; L267-V276 HydrophobicContact CD2-CG2 3.87Å; L267-W304 PolarHBondContact O-NE1 3.22Å; L267-C307 HydrophobicContact CD1-CB 3.44Å; L267-C307 VanDerWaalsContact CD1-CB 3.44Å; L267-M472 HydrophobicContact CD1-CE 4.12Å; L267-M472 HydrophobicContact CD1-SD 4.07Å; L267-M472 HydrophobicContact CG-CE 4.38Å; L267-M472 HydrophobicContact CG-SD 3.9Å
268	C	89.6	Confident	91.2	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.034	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	165	175.3	-34.9	0	0	0	0	110.7	K266 L275 T477	K266-C268 VanDerWaalsContact CE-SG 3.58Å; C268-L275 HydrophobicContact CB-CB 4.02Å; C268-L275 HydrophobicContact CB-CD1 4.29Å; C268-L275 PolarHBondContact N-O 2.95Å; C268-L275 PolarHBondContact O-N 2.95Å; C268-T477 HydrophobicContact CB-CG2 4.34Å
269	F	88.9	Confident	90.8	Very high	17 Å²	17	46.5 Å²	46.5	8%	0.075	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	142.9	162	78	-78.2	0	0	0	110.3	H273 K301 W304 C334	F269-H273 CarbonylContact C-O 3.52Å; F269-H273 VanDerWaalsContact CA-O 3.26Å; F269-H273 WeakPolarHBondContact CA-O 3.29Å; F269-K301 HydrophobicContact CD2-CB 4.09Å; F269-K301 HydrophobicContact CE1-CG 4.19Å; F269-K301 HydrophobicContact CE2-CB 3.68Å; F269-K301 HydrophobicContact CE2-CD 3.98Å; F269-K301 HydrophobicContact CE2-CG 3.85Å; F269-K301 HydrophobicContact CZ-CB 4.02Å; F269-K301 HydrophobicContact CZ-CD 3.7Å; F269-K301 HydrophobicContact CZ-CG 3.64Å; F269-W304 HydrophobicContact CB-CB 4.26Å; F269-W304 HydrophobicContact CB-CG 4.38Å; F269-W304 HydrophobicContact CD1-CB 4.03Å; F269-W304 AromaticContact CD1-CD2 3.64Å; F269-W304 HydrophobicContact CD1-CD2 3.64Å; F269-W304 HydrophobicContact CD1-CE3 4.02Å; F269-W304 AromaticContact CD1-CG 3.63Å; F269-W304 HydrophobicContact CD1-CG 3.63Å; F269-W304 AromaticContact CE1-CD2 3.97Å; F269-W304 HydrophobicContact CE1-CD2 3.97Å; F269-W304 AromaticContact CE1-CE3 3.88Å; F269-W304 HydrophobicContact CE1-CE3 3.88Å; F269-W304 HydrophobicContact CE1-CG 4.41Å; F269-W304 HydrophobicContact CE1-CZ3 4.27Å; F269-W304 HydrophobicContact CG-CB 4.34Å; F269-W304 HydrophobicContact CG-CG 4.34Å; F269-C334 HydrophobicContact CE1-CB 4.29Å; F269-C334 HydrophobicContact CZ-CB 4.45Å
270	K	89.6	Confident	89.9	Confident	126 Å²	126	49.7 Å²	49.7	55%	0.548	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	110.1	-177.7	-172.2	173.4	-179.1	176.6	0	110.1	K272 H273 L275	K270-K272 PolarHBondContact O-N 3.12Å; K270-K272 VanDerWaalsContact O-N 3.16Å; K270-H273 PolarHBondContact N-O 2.83Å; K270-H273 WeakPolarHBondContact O-CB 3.43Å; K270-H273 PolarHBondContact O-N 2.86Å; K270-L275 HydrophobicContact CB-CD1 4.29Å
271	R	91.8	Very high	88.7	Confident	187 Å²	187	56.5 Å²	56.5	71%	0.706	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-114.3	-170.3	-63.9	177.1	171.1	155.9	-6.6	110.7	R297	R271-R297 WeakPolarHBondContact O-CA 3.49Å
272	K	95.4	Very high	87.1	Confident	84 Å²	84	59 Å²	59	37%	0.365	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-10.5	175.9	-70.6	-169.9	179.6	-158.1	0	113.6	K270 V293 F294 E295 C300	K270-K272 PolarHBondContact O-N 3.12Å; K270-K272 VanDerWaalsContact O-N 3.16Å; K272-V293 HydrophobicContact CB-CG1 4.11Å; K272-F294 WeakPolarHBondContact CB-O 3.45Å; K272-F294 WeakPolarHBondContact CD-O 3.3Å; K272-F294 PolarHBondContact O-N 2.91Å; K272-E295 WeakPolarHBondContact CE-O 3.36Å; K272-E295 PolarHBondContact NZ-O 3.06Å; K272-E295 IonicContact NZ-OE1 2.84Å; K272-E295 PolarHBondContact NZ-OE1 3.37Å; K272-C300 PolarHBondContact O-SG 2.77Å
273	H	95.3	Very high	85.9	Confident	82 Å²	82	59.1 Å²	59.1	38%	0.38	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.8	-174.3	-59.6	-105.2	0	0	0	112.2	F269 K270 L275 S291 F292 C300	F269-H273 CarbonylContact C-O 3.52Å; F269-H273 VanDerWaalsContact CA-O 3.26Å; F269-H273 WeakPolarHBondContact CA-O 3.29Å; K270-H273 PolarHBondContact N-O 2.83Å; K270-H273 WeakPolarHBondContact O-CB 3.43Å; K270-H273 PolarHBondContact O-N 2.86Å; H273-L275 HydrophobicContact CB-CD2 4.33Å; H273-L275 HydrophobicContact CB-CG 4.48Å; H273-S291 PolarHBondContact ND1-OG 3.35Å; H273-F292 CarbonylContact C-O 3.09Å; H273-F292 WeakPolarHBondContact CA-O 3.07Å; H273-C300 PolarHBondContact O-SG 3.32Å; H273-C300 VanDerWaalsContact O-SG 3.36Å
274	F	96	Very high	84	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.6	166.1	179.4	-107.8	0	0	0	108.8	L240 L247 L267 V276 S291 F292 F294 C300 F303 W304	L240-F274 HydrophobicContact CD1-CD1 4.35Å; L247-F274 HydrophobicContact CD2-CE1 3.63Å; L247-F274 HydrophobicContact CD2-CZ 3.77Å; L267-F274 HydrophobicContact CD1-CZ 4.22Å; L267-F274 HydrophobicContact CD2-CE1 4.42Å; L267-F274 HydrophobicContact CD2-CZ 3.82Å; L267-F274 HydrophobicContact CG-CZ 4.48Å; F274-V276 HydrophobicContact CD1-CG2 4.11Å; F274-V276 HydrophobicContact CE1-CG2 3.53Å; F274-V276 HydrophobicContact CZ-CG2 4.28Å; F274-S291 WeakPolarHBondContact O-CA 3.44Å; F274-F292 HydrophobicContact CD1-CD2 4.22Å; F274-F292 PolarHBondContact N-O 2.98Å; F274-F292 PolarHBondContact O-N 3.16Å; F274-F294 HydrophobicContact CB-CD2 3.93Å; F274-F294 HydrophobicContact CB-CE2 3.57Å; F274-F294 HydrophobicContact CG-CE2 4.15Å; F274-C300 PolarHBondContact N-SG 2.74Å; F274-C300 VanDerWaalsContact N-SG 3.42Å; F274-F303 HydrophobicContact CD1-CD1 4.09Å; F274-F303 HydrophobicContact CD1-CE1 4.04Å; F274-F303 HydrophobicContact CD2-CD1 4.15Å; F274-F303 AromaticContact CE1-CD1 3.97Å; F274-F303 HydrophobicContact CE1-CD1 3.97Å; F274-F303 AromaticContact CE1-CE1 3.62Å; F274-F303 HydrophobicContact CE1-CE1 3.62Å; F274-F303 HydrophobicContact CE2-CD1 4.03Å; F274-F303 HydrophobicContact CE2-CE1 4.38Å; F274-F303 HydrophobicContact CG-CD1 4.18Å; F274-F303 AromaticContact CZ-CD1 3.93Å; F274-F303 HydrophobicContact CZ-CD1 3.93Å; F274-F303 AromaticContact CZ-CE1 3.81Å; F274-F303 HydrophobicContact CZ-CE1 3.81Å; F274-W304 HydrophobicContact CD2-CB 4.08Å; F274-W304 HydrophobicContact CE2-CB 3.92Å; F274-W304 HydrophobicContact CE2-CG 4.4Å
275	L	93.4	Very high	82.2	Confident	27 Å²	27	65.8 Å²	65.8	14%	0.141	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	115.6	-165.5	-63.4	173.7	0	0	0	110.3	C268 K270 H273 L289 I290	C268-L275 HydrophobicContact CB-CB 4.02Å; C268-L275 HydrophobicContact CB-CD1 4.29Å; C268-L275 PolarHBondContact N-O 2.95Å; C268-L275 PolarHBondContact O-N 2.95Å; K270-L275 HydrophobicContact CB-CD1 4.29Å; H273-L275 HydrophobicContact CB-CD2 4.33Å; H273-L275 HydrophobicContact CB-CG 4.48Å; L275-L289 HydrophobicContact CB-CD1 4.04Å; L275-L289 HydrophobicContact CD2-CD1 4.21Å; L275-I290 WeakPolarHBondContact CA-O 3.35Å
276	V	92.7	Very high	80.6	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	109.5	176.6	-173.9	0	0	0	0	108.1	L247 V264 L267 F274 L278 I290 F292	L247-V276 HydrophobicContact CD2-CG2 4.43Å; V264-V276 HydrophobicContact CG1-CG1 4.07Å; V264-V276 HydrophobicContact CG2-CG1 4.03Å; L267-V276 HydrophobicContact CD2-CB 4.18Å; L267-V276 HydrophobicContact CD2-CG1 4.01Å; L267-V276 HydrophobicContact CD2-CG2 3.87Å; F274-V276 HydrophobicContact CD1-CG2 4.11Å; F274-V276 HydrophobicContact CE1-CG2 3.53Å; F274-V276 HydrophobicContact CZ-CG2 4.28Å; V276-L278 HydrophobicContact CG1-CD2 3.71Å; V276-L278 HydrophobicContact CG1-CG 4.47Å; V276-I290 HydrophobicContact CB-CB 4.47Å; V276-I290 PolarHBondContact N-O 3.27Å; V276-I290 PolarHBondContact O-N 3.41Å; V276-F292 HydrophobicContact CG2-CE2 4.41Å
277	K	90.6	Very high	79.5	Confident	72 Å²	72	69 Å²	69	31%	0.313	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.9	167	-79.3	-171.1	164.6	-102.4	0	109.8	V264 R265 K266 D288 L289	V264-K277 CarbonylContact C-O 3.6Å; R265-K277 PolarHBondContact N-O 3.17Å; K266-K277 HydrophobicContact CB-CB 4.15Å; K266-K277 PolarHBondContact N-O 2.63Å; K266-K277 VanDerWaalsContact N-O 3.16Å; K266-K277 PolarHBondContact O-N 3.45Å; K277-D288 CarbonylContact C-O 3.59Å; K277-D288 VanDerWaalsContact CA-O 3.31Å; K277-D288 WeakPolarHBondContact CA-O 3.47Å; K277-D288 IonicContact NZ-OD2 2.68Å; K277-D288 PolarHBondContact NZ-OD2 3.15Å; K277-L289 HydrophobicContact CG-CD1 3.7Å
278	L	89.3	Confident	79	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	167.1	179.7	-56.5	-179.7	0	0	0	111.1	F259 K263 V264 V276 Y283 D288 I290	F259-L278 HydrophobicContact CD1-CD1 4.24Å; F259-L278 HydrophobicContact CD1-CD2 4.07Å; F259-L278 HydrophobicContact CE1-CD1 4.29Å; K263-L278 CarbonylContact O-C 3.52Å; K263-L278 WeakPolarHBondContact O-CA 3.41Å; K263-L278 WeakPolarHBondContact O-CB 3.22Å; K263-L278 WeakPolarHBondContact O-CD2 3.49Å; V264-L278 HydrophobicContact CG2-CD2 4.06Å; V276-L278 HydrophobicContact CG1-CD2 3.71Å; V276-L278 HydrophobicContact CG1-CG 4.47Å; L278-Y283 HydrophobicContact CB-CD2 4.47Å; L278-Y283 HydrophobicContact CD1-CD2 3.38Å; L278-Y283 HydrophobicContact CD1-CE2 3.59Å; L278-Y283 HydrophobicContact CD1-CG 4.22Å; L278-D288 PolarHBondContact N-O 3Å; L278-I290 HydrophobicContact CD1-CD1 3.84Å
279	H	85.1	Confident	78.9	Confident	46 Å²	46	75.8 Å²	75.8	21%	0.213	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-72.3	134.5	168.8	-74.4	-100.6	0	0	0	110	K263 R265 E281 T282	K263-H279 PolarHBondContact O-N 3.3Å; R265-H279 WeakPolarHBondContact CA-NE2 3.49Å; H279-E281 VanDerWaalsContact C-N 3.26Å; H279-E281 PolarHBondContact O-N 2.89Å; H279-T282 WeakPolarHBondContact O-CB 3.37Å; H279-T282 PolarHBondContact O-N 2.69Å; H279-T282 PolarHBondContact O-OG1 3.48Å
280	P	75.2	Confident	79	Confident	69 Å²	69	77.1 Å²	77.1	45%	0.448	39%	0.388	S	S	.	.	H	α-helix	trans	-62.6	-33.6	-171.9	24.4	-34.1	0	0	0	112.6	T282 Y283 G284	P280-T282 PolarHBondContact O-N 2.98Å; P280-T282 VanDerWaalsContact O-N 3.14Å; P280-Y283 PolarHBondContact O-N 2.94Å; P280-G284 WeakPolarHBondContact O-CA 3.4Å; P280-G284 PolarHBondContact O-N 2.86Å
281	E	67.1	Low	79.2	Confident	169 Å²	169	72.2 Å²	72.2	79%	0.79	37%	0.369	S	S	*	.	H	α-helix	trans	-57.1	-25.1	175.3	-66	168.8	-139.2	0	0	113.4	H279	H279-E281 VanDerWaalsContact C-N 3.26Å; H279-E281 PolarHBondContact O-N 2.89Å
282	T	59.2	Low	79.5	Confident	55 Å²	55	63.8 Å²	63.8	34%	0.337	34%	0.338	S	S	.	.	H	α-helix	trans	-84.1	-27.7	-177.9	-45.4	0	0	0	0	113.4	K263 H279 P280	K263-T282 HydrophobicContact CB-CG2 4.5Å; K263-T282 HydrophobicContact CD-CG2 3.86Å; K263-T282 HydrophobicContact CG-CG2 3.95Å; H279-T282 WeakPolarHBondContact O-CB 3.37Å; H279-T282 PolarHBondContact O-N 2.69Å; H279-T282 PolarHBondContact O-OG1 3.48Å; P280-T282 PolarHBondContact O-N 2.98Å; P280-T282 VanDerWaalsContact O-N 3.14Å
283	Y	62.3	Low	79.6	Confident	66 Å²	66	62 Å²	62	26%	0.259	33%	0.333	S	S	.	.	H	α-helix	trans	-144	32.9	-170.4	-75.6	-80.9	0	0	0	113.7	L278 P280 L285 Y286	L278-Y283 HydrophobicContact CB-CD2 4.47Å; L278-Y283 HydrophobicContact CD1-CD2 3.38Å; L278-Y283 HydrophobicContact CD1-CE2 3.59Å; L278-Y283 HydrophobicContact CD1-CG 4.22Å; P280-Y283 PolarHBondContact O-N 2.94Å; Y283-L285 PolarHBondContact O-N 3.16Å; Y283-Y286 PolarHBondContact O-N 3.14Å
284	G	49.6	Very low	79.6	Confident	66 Å²	66	58.3 Å²	58.3	68%	0.68	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	9.8	-170.6	0	0	0	0	0	118.9	P280	P280-G284 WeakPolarHBondContact O-CA 3.4Å; P280-G284 PolarHBondContact O-N 2.86Å
285	L	49.2	Very low	79.5	Confident	150 Å²	150	64.4 Å²	64.4	79%	0.785	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.5	-8.4	172.3	-66.8	173.8	0	0	0	114	Y283	Y283-L285 PolarHBondContact O-N 3.16Å
286	Y	53.1	Low	79.4	Confident	185 Å²	185	64.9 Å²	64.9	73%	0.725	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	3.7	-170.2	-70.5	-75.1	0	0	0	114.4	Y283	Y283-Y286 PolarHBondContact O-N 3.14Å
287	G	64.1	Low	79.4	Confident	43 Å²	43	69.8 Å²	69.8	44%	0.443	37%	0.369	S	S	.	.			trans	92.2	140	-174.1	0	0	0	0	0	112.5	L289	G287-L289 VanDerWaalsContact C-N 3.29Å
288	D	81	Confident	79.4	Confident	64 Å²	64	71.6 Å²	71.6	34%	0.342	38%	0.378	S	S	.	.	S	Bend	trans	-78.5	-14.4	176.7	75	-48	0	0	0	112.7	K277 L278	K277-D288 CarbonylContact C-O 3.59Å; K277-D288 VanDerWaalsContact CA-O 3.31Å; K277-D288 WeakPolarHBondContact CA-O 3.47Å; K277-D288 IonicContact NZ-OD2 2.68Å; K277-D288 PolarHBondContact NZ-OD2 3.15Å; L278-D288 PolarHBondContact N-O 3Å
289	L	88.5	Confident	79.5	Confident	82 Å²	82	73.8 Å²	73.8	43%	0.429	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	116.8	-164.6	177.2	64.7	0	0	0	112	L275 K277 G287	L275-L289 HydrophobicContact CB-CD1 4.04Å; L275-L289 HydrophobicContact CD2-CD1 4.21Å; K277-L289 HydrophobicContact CG-CD1 3.7Å; G287-L289 VanDerWaalsContact C-N 3.29Å
290	I	91.6	Very high	80	Confident	46 Å²	46	71.6 Å²	71.6	24%	0.236	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.8	175.4	-59.6	175.7	0	0	0	109.1	F259 L275 V276 L278 F292	F259-I290 HydrophobicContact CD1-CD1 4.42Å; F259-I290 HydrophobicContact CE1-CD1 3.37Å; F259-I290 HydrophobicContact CZ-CD1 3.43Å; F259-I290 VanDerWaalsContact CZ-CD1 3.43Å; F259-I290 HydrophobicContact CZ-CG2 4.32Å; L275-I290 WeakPolarHBondContact CA-O 3.35Å; V276-I290 HydrophobicContact CB-CB 4.47Å; V276-I290 PolarHBondContact N-O 3.27Å; V276-I290 PolarHBondContact O-N 3.41Å; L278-I290 HydrophobicContact CD1-CD1 3.84Å; I290-F292 HydrophobicContact CG2-CD2 4.39Å; I290-F292 HydrophobicContact CG2-CE2 3.58Å; I290-F292 HydrophobicContact CG2-CZ 3.67Å
291	S	93.7	Very high	80.8	Confident	22 Å²	22	71 Å²	71	15%	0.154	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137	-177	170.4	0	0	0	0	111.6	V233 H273 F274	V233-S291 WeakPolarHBondContact CG1-O 3.24Å; H273-S291 PolarHBondContact ND1-OG 3.35Å; F274-S291 WeakPolarHBondContact O-CA 3.44Å
292	F	96.9	Very high	81.9	Confident	11 Å²	11	64.4 Å²	64.4	5%	0.048	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.6	169.7	-59.2	-80.9	0	0	0	110.3	A230 K231 D232 V238 L240 V249 F259 H273 F274 V276 I290	A230-F292 HydrophobicContact CB-CB 4.27Å; K231-F292 CarbonylContact O-C 3.57Å; K231-F292 VanDerWaalsContact O-CA 3.23Å; K231-F292 WeakPolarHBondContact O-CA 3.37Å; D232-F292 HydrophobicContact CB-CD1 4.42Å; D232-F292 HydrophobicContact CB-CE1 4.45Å; V238-F292 HydrophobicContact CG2-CD1 3.92Å; V238-F292 HydrophobicContact CG2-CE1 4.23Å; L240-F292 HydrophobicContact CD1-CB 3.92Å; L240-F292 HydrophobicContact CD1-CD1 4.38Å; L240-F292 HydrophobicContact CD1-CD2 4.02Å; L240-F292 HydrophobicContact CD1-CG 3.84Å; L240-F292 HydrophobicContact CD2-CD1 4.07Å; L240-F292 HydrophobicContact CD2-CD2 4.36Å; L240-F292 HydrophobicContact CD2-CE1 4.03Å; L240-F292 HydrophobicContact CD2-CE2 4.31Å; L240-F292 HydrophobicContact CD2-CG 4.24Å; L240-F292 HydrophobicContact CD2-CZ 4.16Å; V249-F292 HydrophobicContact CG1-CE1 4.02Å; V249-F292 HydrophobicContact CG1-CZ 4.3Å; V249-F292 HydrophobicContact CG2-CE1 4.24Å; V249-F292 HydrophobicContact CG2-CE2 4.46Å; V249-F292 HydrophobicContact CG2-CZ 3.69Å; F259-F292 HydrophobicContact CE2-CE2 4.18Å; F259-F292 HydrophobicContact CE2-CZ 4.15Å; H273-F292 CarbonylContact C-O 3.09Å; H273-F292 WeakPolarHBondContact CA-O 3.07Å; F274-F292 HydrophobicContact CD1-CD2 4.22Å; F274-F292 PolarHBondContact N-O 2.98Å; F274-F292 PolarHBondContact O-N 3.16Å; V276-F292 HydrophobicContact CG2-CE2 4.41Å; I290-F292 HydrophobicContact CG2-CD2 4.39Å; I290-F292 HydrophobicContact CG2-CE2 3.58Å; I290-F292 HydrophobicContact CG2-CZ 3.67Å
293	V	97.3	Very high	83.6	Confident	45 Å²	45	61.8 Å²	61.8	27%	0.273	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115	-178.4	-170.7	0	0	0	0	110	A230 K231 K272	A230-V293 CarbonylContact C-O 3.48Å; A230-V293 VanDerWaalsContact CA-O 3.32Å; A230-V293 WeakPolarHBondContact CA-O 3.34Å; K231-V293 PolarHBondContact N-O 3.29Å; K231-V293 PolarHBondContact O-N 3.31Å; K272-V293 HydrophobicContact CB-CG1 4.11Å
294	F	96.5	Very high	85.2	Confident	5 Å²	5	58.9 Å²	58.9	2%	0.022	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	160.2	174.2	-80	-100	0	0	0	111.5	H228 Q229 A230 L240 K272 F274 S296 E299 C300 F303	H228-F294 HydrophobicContact CB-CE1 4.07Å; Q229-F294 WeakPolarHBondContact O-CD1 3.28Å; A230-F294 HydrophobicContact CB-CD2 4.23Å; A230-F294 HydrophobicContact CB-CE2 4.18Å; A230-F294 HydrophobicContact CB-CG 4.4Å; A230-F294 HydrophobicContact CB-CZ 4.33Å; L240-F294 HydrophobicContact CD1-CE2 3.91Å; L240-F294 HydrophobicContact CD1-CZ 3.85Å; K272-F294 WeakPolarHBondContact CB-O 3.45Å; K272-F294 WeakPolarHBondContact CD-O 3.3Å; K272-F294 PolarHBondContact O-N 2.91Å; F274-F294 HydrophobicContact CB-CD2 3.93Å; F274-F294 HydrophobicContact CB-CE2 3.57Å; F274-F294 HydrophobicContact CG-CE2 4.15Å; F294-S296 VanDerWaalsContact C-N 3.28Å; F294-S296 PolarHBondContact O-N 3.07Å; F294-E299 HydrophobicContact CB-CB 4.43Å; F294-E299 HydrophobicContact CD1-CB 3.77Å; F294-E299 HydrophobicContact CG-CB 4.48Å; F294-C300 HydrophobicContact CB-CB 3.86Å; F294-C300 HydrophobicContact CD2-CB 4.02Å; F294-C300 HydrophobicContact CG-CB 3.99Å; F294-F303 HydrophobicContact CE1-CB 3.82Å; F294-F303 HydrophobicContact CE1-CG 4.14Å; F294-F303 HydrophobicContact CE2-CB 4.37Å; F294-F303 HydrophobicContact CE2-CD1 4.1Å; F294-F303 HydrophobicContact CE2-CG 4.42Å; F294-F303 HydrophobicContact CZ-CB 3.54Å; F294-F303 AromaticContact CZ-CD1 3.57Å; F294-F303 HydrophobicContact CZ-CD1 3.57Å; F294-F303 HydrophobicContact CZ-CD2 4.29Å; F294-F303 HydrophobicContact CZ-CE1 4.36Å; F294-F303 AromaticContact CZ-CG 3.52Å; F294-F303 HydrophobicContact CZ-CG 3.52Å
295	E	93.2	Very high	87.2	Confident	128 Å²	128	56.7 Å²	56.7	60%	0.598	28%	0.283	S	S	*	.	S	Bend	trans	-67.5	-27.5	176.7	-167	48.5	-105.7	0	0	113	K272	K272-E295 WeakPolarHBondContact CE-O 3.36Å; K272-E295 PolarHBondContact NZ-O 3.06Å; K272-E295 IonicContact NZ-OE1 2.84Å; K272-E295 PolarHBondContact NZ-OE1 3.37Å
296	S	92.1	Very high	89.4	Confident	38 Å²	38	51.3 Å²	51.3	27%	0.266	25%	0.254	S	S	.	.			trans	-138.1	157.2	175.9	87.8	0	0	0	0	113.3	F294 H298 E299 C300	F294-S296 VanDerWaalsContact C-N 3.28Å; F294-S296 PolarHBondContact O-N 3.07Å; S296-H298 PolarHBondContact O-N 3.22Å; S296-H298 WeakPolarHBondContact OG-CB 3.36Å; S296-H298 PolarHBondContact OG-N 3.01Å; S296-H298 VanDerWaalsContact OG-N 3.15Å; S296-E299 PolarHBondContact O-N 2.81Å; S296-E299 PolarHBondContact OG-N 3.06Å; S296-C300 WeakPolarHBondContact O-CB 3.35Å; S296-C300 PolarHBondContact O-N 3.32Å
297	R	92.8	Very high	91.4	Very high	103 Å²	103	42.5 Å²	42.5	39%	0.389	22%	0.219	S	C	.	.	H	α-helix	trans	-59.6	-27	168.6	-179.2	-177.7	-176.7	-169.9	3.8	111.6	R271 K301 N503	R271-R297 WeakPolarHBondContact O-CA 3.49Å; R297-K301 VanDerWaalsContact O-CB 3.25Å; R297-K301 WeakPolarHBondContact O-CB 3.45Å; R297-K301 PolarHBondContact O-N 2.88Å; R297-K301 VanDerWaalsContact O-N 3.12Å; R297-N503 PolarHBondContact NH1-O 3.38Å; R297-N503 PolarHBondContact NH2-O 3.46Å
298	H	89.3	Confident	92.7	Very high	109 Å²	109	40.8 Å²	40.8	51%	0.505	20%	0.2	S	C	.	.	H	α-helix	trans	-71.6	-52	178.7	-166.2	89.1	0	0	0	110.8	S296 C300 K301 L302	S296-H298 PolarHBondContact O-N 3.22Å; S296-H298 WeakPolarHBondContact OG-CB 3.36Å; S296-H298 PolarHBondContact OG-N 3.01Å; S296-H298 VanDerWaalsContact OG-N 3.15Å; H298-C300 PolarHBondContact O-N 3.46Å; H298-K301 PolarHBondContact O-N 3.04Å; H298-L302 VanDerWaalsContact CD2-CD1 3.46Å; H298-L302 WeakPolarHBondContact CD2-CD1 3.45Å; H298-L302 WeakPolarHBondContact NE2-CD1 3.43Å; H298-L302 WeakPolarHBondContact O-CB 3.25Å; H298-L302 WeakPolarHBondContact O-CG 3.38Å; H298-L302 PolarHBondContact O-N 2.69Å
299	E	92.3	Very high	93.3	Very high	47 Å²	47	38.8 Å²	38.8	22%	0.22	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-44.7	176.6	-61.5	-39.9	120.3	0	0	111.8	R87 F294 S296 K301 L302 F303	R87-E299 IonicContact CZ-OE1 2.67Å; R87-E299 VanDerWaalsContact CZ-OE1 3.23Å; R87-E299 IonicContact CZ-OE2 3.11Å; R87-E299 IonicContact NH1-OE1 3.02Å; R87-E299 PolarHBondContact NH1-OE1 3.25Å; R87-E299 IonicContact NH1-OE2 3.43Å; R87-E299 PolarHBondContact NH1-OE2 3.15Å; R87-E299 IonicContact NH2-OE1 2.94Å; R87-E299 PolarHBondContact NH2-OE1 3.08Å; F294-E299 HydrophobicContact CB-CB 4.43Å; F294-E299 HydrophobicContact CD1-CB 3.77Å; F294-E299 HydrophobicContact CG-CB 4.48Å; S296-E299 PolarHBondContact O-N 2.81Å; S296-E299 PolarHBondContact OG-N 3.06Å; E299-K301 VanDerWaalsContact C-N 3.33Å; E299-K301 PolarHBondContact O-N 3.17Å; E299-L302 PolarHBondContact O-N 3.4Å; E299-L302 VanDerWaalsContact O-N 3.17Å; E299-F303 PolarHBondContact O-N 2.67Å
300	C	94.4	Very high	93.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.2	-46.5	176.6	-167.7	0	0	0	0	112.2	K272 H273 F274 F294 S296 H298 W304	K272-C300 PolarHBondContact O-SG 2.77Å; H273-C300 PolarHBondContact O-SG 3.32Å; H273-C300 VanDerWaalsContact O-SG 3.36Å; F274-C300 PolarHBondContact N-SG 2.74Å; F274-C300 VanDerWaalsContact N-SG 3.42Å; F294-C300 HydrophobicContact CB-CB 3.86Å; F294-C300 HydrophobicContact CD2-CB 4.02Å; F294-C300 HydrophobicContact CG-CB 3.99Å; S296-C300 WeakPolarHBondContact O-CB 3.35Å; S296-C300 PolarHBondContact O-N 3.32Å; H298-C300 PolarHBondContact O-N 3.46Å; C300-W304 WeakPolarHBondContact O-CB 3.28Å; C300-W304 PolarHBondContact O-N 3.02Å
301	K	91.9	Very high	93.7	Very high	56 Å²	56	33.9 Å²	33.9	24%	0.243	16%	0.163	C	C	.	.	H	α-helix	trans	-66.9	-39.9	176.9	-176.5	168.5	-176.3	165.1	0	112	F269 R297 H298 E299 K305 C334	F269-K301 HydrophobicContact CD2-CB 4.09Å; F269-K301 HydrophobicContact CE1-CG 4.19Å; F269-K301 HydrophobicContact CE2-CB 3.68Å; F269-K301 HydrophobicContact CE2-CD 3.98Å; F269-K301 HydrophobicContact CE2-CG 3.85Å; F269-K301 HydrophobicContact CZ-CB 4.02Å; F269-K301 HydrophobicContact CZ-CD 3.7Å; F269-K301 HydrophobicContact CZ-CG 3.64Å; R297-K301 VanDerWaalsContact O-CB 3.25Å; R297-K301 WeakPolarHBondContact O-CB 3.45Å; R297-K301 PolarHBondContact O-N 2.88Å; R297-K301 VanDerWaalsContact O-N 3.12Å; H298-K301 PolarHBondContact O-N 3.04Å; E299-K301 VanDerWaalsContact C-N 3.33Å; E299-K301 PolarHBondContact O-N 3.17Å; K301-K305 WeakPolarHBondContact O-CG 3.42Å; K301-K305 PolarHBondContact O-N 2.61Å; K301-C334 WeakPolarHBondContact CE-SG 3.48Å; K301-C334 PolarHBondContact NZ-SG 3.38Å
302	L	91.5	Very high	93.6	Very high	32 Å²	32	33.4 Å²	33.4	17%	0.168	16%	0.16	C	C	.	.	H	α-helix	trans	-69.3	-39.7	178.8	-75	-178.4	0	0	0	112.5	H298 E299 K305 K306	H298-L302 VanDerWaalsContact CD2-CD1 3.46Å; H298-L302 WeakPolarHBondContact CD2-CD1 3.45Å; H298-L302 WeakPolarHBondContact NE2-CD1 3.43Å; H298-L302 WeakPolarHBondContact O-CB 3.25Å; H298-L302 WeakPolarHBondContact O-CG 3.38Å; H298-L302 PolarHBondContact O-N 2.69Å; E299-L302 PolarHBondContact O-N 3.4Å; E299-L302 VanDerWaalsContact O-N 3.17Å; L302-K305 HydrophobicContact CD2-CD 4.19Å; L302-K305 PolarHBondContact O-N 2.93Å; L302-K306 WeakPolarHBondContact O-CG 3.33Å; L302-K306 PolarHBondContact O-N 3Å
303	F	95	Very high	93.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.3	-45.8	173.3	-173.4	-105.7	0	0	0	110.9	H228 L240 V242 L247 F274 F294 E299 K305 K306 C307	H228-F303 HydrophobicContact CB-CD2 3.85Å; H228-F303 HydrophobicContact CB-CE2 4.22Å; H228-F303 AromaticContact CD2-CD2 3.8Å; H228-F303 AromaticContact CG-CD2 3.5Å; H228-F303 VanDerWaalsContact CG-CD2 3.5Å; H228-F303 AromaticContact CG-CE2 3.94Å; H228-F303 AromaticContact ND1-CD2 3.66Å; H228-F303 AromaticContact ND1-CE2 3.71Å; L240-F303 HydrophobicContact CB-CE1 4.03Å; L240-F303 HydrophobicContact CB-CE2 3.96Å; L240-F303 HydrophobicContact CB-CZ 3.55Å; L240-F303 HydrophobicContact CD1-CD1 4.38Å; L240-F303 HydrophobicContact CD1-CE1 3.88Å; L240-F303 HydrophobicContact CD1-CZ 4.29Å; V242-F303 HydrophobicContact CG1-CE2 4.48Å; L247-F303 HydrophobicContact CD2-CE1 4.01Å; L247-F303 HydrophobicContact CD2-CZ 4.26Å; F274-F303 HydrophobicContact CD1-CD1 4.09Å; F274-F303 HydrophobicContact CD1-CE1 4.04Å; F274-F303 HydrophobicContact CD2-CD1 4.15Å; F274-F303 AromaticContact CE1-CD1 3.97Å; F274-F303 HydrophobicContact CE1-CD1 3.97Å; F274-F303 AromaticContact CE1-CE1 3.62Å; F274-F303 HydrophobicContact CE1-CE1 3.62Å; F274-F303 HydrophobicContact CE2-CD1 4.03Å; F274-F303 HydrophobicContact CE2-CE1 4.38Å; F274-F303 HydrophobicContact CG-CD1 4.18Å; F274-F303 AromaticContact CZ-CD1 3.93Å; F274-F303 HydrophobicContact CZ-CD1 3.93Å; F274-F303 AromaticContact CZ-CE1 3.81Å; F274-F303 HydrophobicContact CZ-CE1 3.81Å; F294-F303 HydrophobicContact CE1-CB 3.82Å; F294-F303 HydrophobicContact CE1-CG 4.14Å; F294-F303 HydrophobicContact CE2-CB 4.37Å; F294-F303 HydrophobicContact CE2-CD1 4.1Å; F294-F303 HydrophobicContact CE2-CG 4.42Å; F294-F303 HydrophobicContact CZ-CB 3.54Å; F294-F303 AromaticContact CZ-CD1 3.57Å; F294-F303 HydrophobicContact CZ-CD1 3.57Å; F294-F303 HydrophobicContact CZ-CD2 4.29Å; F294-F303 HydrophobicContact CZ-CE1 4.36Å; F294-F303 AromaticContact CZ-CG 3.52Å; F294-F303 HydrophobicContact CZ-CG 3.52Å; E299-F303 PolarHBondContact O-N 2.67Å; F303-K305 VanDerWaalsContact C-N 3.35Å; F303-K305 PolarHBondContact O-N 2.75Å; F303-K306 WeakPolarHBondContact O-CB 3.39Å; F303-K306 PolarHBondContact O-N 3.03Å; F303-K306 VanDerWaalsContact O-N 3.09Å; F303-C307 PolarHBondContact O-N 3.24Å; F303-C307 PolarHBondContact O-SG 2.94Å; F303-C307 VanDerWaalsContact O-SG 3.37Å
304	W	94.5	Very high	93.3	Very high	4 Å²	4	32 Å²	32	2%	0.015	15%	0.15	C	C	.	.	H	α-helix	trans	-55.3	-46.5	172.4	176.2	89.6	0	0	0	112.2	L267 F269 F274 C300 K306 C307 V308 F336 I474	L267-W304 PolarHBondContact O-NE1 3.22Å; F269-W304 HydrophobicContact CB-CB 4.26Å; F269-W304 HydrophobicContact CB-CG 4.38Å; F269-W304 HydrophobicContact CD1-CB 4.03Å; F269-W304 AromaticContact CD1-CD2 3.64Å; F269-W304 HydrophobicContact CD1-CD2 3.64Å; F269-W304 HydrophobicContact CD1-CE3 4.02Å; F269-W304 AromaticContact CD1-CG 3.63Å; F269-W304 HydrophobicContact CD1-CG 3.63Å; F269-W304 AromaticContact CE1-CD2 3.97Å; F269-W304 HydrophobicContact CE1-CD2 3.97Å; F269-W304 AromaticContact CE1-CE3 3.88Å; F269-W304 HydrophobicContact CE1-CE3 3.88Å; F269-W304 HydrophobicContact CE1-CG 4.41Å; F269-W304 HydrophobicContact CE1-CZ3 4.27Å; F269-W304 HydrophobicContact CG-CB 4.34Å; F269-W304 HydrophobicContact CG-CG 4.34Å; F274-W304 HydrophobicContact CD2-CB 4.08Å; F274-W304 HydrophobicContact CE2-CB 3.92Å; F274-W304 HydrophobicContact CE2-CG 4.4Å; C300-W304 WeakPolarHBondContact O-CB 3.28Å; C300-W304 PolarHBondContact O-N 3.02Å; W304-K306 PolarHBondContact O-N 3.39Å; W304-C307 PolarHBondContact O-N 2.99Å; W304-C307 VanDerWaalsContact O-N 3.15Å; W304-V308 HydrophobicContact CD2-CG2 4.08Å; W304-V308 HydrophobicContact CE3-CG2 4.33Å; W304-V308 HydrophobicContact CH2-CG2 4.12Å; W304-V308 HydrophobicContact CZ2-CG2 3.86Å; W304-V308 HydrophobicContact CZ3-CG2 4.35Å; W304-V308 WeakPolarHBondContact O-CG2 3.31Å; W304-V308 PolarHBondContact O-N 3.01Å; W304-F336 HydrophobicContact CZ3-CB 4.22Å; W304-F336 HydrophobicContact CZ3-CD1 4.39Å; W304-I474 HydrophobicContact CH2-CG2 4.49Å; W304-I474 HydrophobicContact CZ2-CG2 3.7Å
305	K	92.4	Very high	93	Very high	21 Å²	21	37 Å²	37	9%	0.091	17%	0.169	C	C	.	.	H	α-helix	trans	-56.1	-48	173.7	-72.3	-179.2	75.9	-164.9	0	111.5	E90 K301 L302 F303 C307 V308 E309 F336	E90-K305 IonicContact OE1-NZ 2.69Å; E90-K305 PolarHBondContact OE1-NZ 3.27Å; E90-K305 VanDerWaalsContact OE1-NZ 3.11Å; E90-K305 IonicContact OE2-NZ 3.64Å; E90-K305 PolarHBondContact OE2-NZ 3.38Å; K301-K305 WeakPolarHBondContact O-CG 3.42Å; K301-K305 PolarHBondContact O-N 2.61Å; L302-K305 HydrophobicContact CD2-CD 4.19Å; L302-K305 PolarHBondContact O-N 2.93Å; F303-K305 VanDerWaalsContact C-N 3.35Å; F303-K305 PolarHBondContact O-N 2.75Å; K305-C307 VanDerWaalsContact C-N 3.26Å; K305-C307 PolarHBondContact O-N 2.8Å; K305-V308 WeakPolarHBondContact O-CB 3.37Å; K305-V308 PolarHBondContact O-N 3.38Å; K305-V308 VanDerWaalsContact O-N 3.15Å; K305-E309 WeakPolarHBondContact O-CG 3.26Å; K305-E309 PolarHBondContact O-N 3.21Å; K305-F336 HydrophobicContact CB-CD1 3.87Å; K305-F336 HydrophobicContact CB-CE1 3.72Å; K305-F336 HydrophobicContact CB-CZ 4.34Å; K305-F336 HydrophobicContact CD-CD1 4.27Å; K305-F336 HydrophobicContact CD-CD2 4.36Å; K305-F336 HydrophobicContact CD-CG 4.16Å; K305-F336 VanDerWaalsContact CE-CG 3.42Å; K305-F336 HydrophobicContact CG-CB 4.44Å; K305-F336 HydrophobicContact CG-CD1 3.58Å; K305-F336 HydrophobicContact CG-CE1 3.94Å; K305-F336 HydrophobicContact CG-CG 3.9Å
306	K	94.5	Very high	92.7	Very high	37 Å²	37	32.6 Å²	32.6	16%	0.161	15%	0.152	C	C	.	.	H	α-helix	trans	-58.7	-37.6	178.5	-70.2	176.2	-173.9	-167.6	0	111.8	H228 V242 L302 F303 W304 E309 H310	H228-K306 VanDerWaalsContact NE2-CD 3.34Å; H228-K306 WeakPolarHBondContact NE2-CD 3.37Å; H228-K306 PolarHBondContact NE2-NZ 3.04Å; V242-K306 HydrophobicContact CG1-CB 4.26Å; L302-K306 WeakPolarHBondContact O-CG 3.33Å; L302-K306 PolarHBondContact O-N 3Å; F303-K306 WeakPolarHBondContact O-CB 3.39Å; F303-K306 PolarHBondContact O-N 3.03Å; F303-K306 VanDerWaalsContact O-N 3.09Å; W304-K306 PolarHBondContact O-N 3.39Å; K306-E309 PolarHBondContact O-N 2.91Å; K306-H310 PolarHBondContact O-N 3.38Å; K306-H310 PolarHBondContact O-ND1 3.36Å
307	C	95.4	Very high	92.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.2	-41.5	174.7	-61.8	0	0	0	0	113.3	V242 W261 L267 F303 W304 K305 E309 H310 H311	V242-C307 HydrophobicContact CG2-CB 4.49Å; W261-C307 HydrophobicContact CH2-CB 4.16Å; W261-C307 WeakPolarHBondContact CH2-O 3.38Å; L267-C307 HydrophobicContact CD1-CB 3.44Å; L267-C307 VanDerWaalsContact CD1-CB 3.44Å; F303-C307 PolarHBondContact O-N 3.24Å; F303-C307 PolarHBondContact O-SG 2.94Å; F303-C307 VanDerWaalsContact O-SG 3.37Å; W304-C307 PolarHBondContact O-N 2.99Å; W304-C307 VanDerWaalsContact O-N 3.15Å; K305-C307 VanDerWaalsContact C-N 3.26Å; K305-C307 PolarHBondContact O-N 2.8Å; C307-E309 VanDerWaalsContact C-N 3.31Å; C307-E309 PolarHBondContact O-N 3.25Å; C307-H310 PolarHBondContact O-N 3.03Å; C307-H311 WeakPolarHBondContact O-CB 3.27Å; C307-H311 PolarHBondContact O-N 2.94Å
308	V	92.3	Very high	91.6	Very high	7 Å²	7	34 Å²	34	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-58.7	-43.8	172.3	174.7	0	0	0	0	110.7	W304 K305 A312 F336 I474	W304-V308 HydrophobicContact CD2-CG2 4.08Å; W304-V308 HydrophobicContact CE3-CG2 4.33Å; W304-V308 HydrophobicContact CH2-CG2 4.12Å; W304-V308 HydrophobicContact CZ2-CG2 3.86Å; W304-V308 HydrophobicContact CZ3-CG2 4.35Å; W304-V308 WeakPolarHBondContact O-CG2 3.31Å; W304-V308 PolarHBondContact O-N 3.01Å; K305-V308 WeakPolarHBondContact O-CB 3.37Å; K305-V308 PolarHBondContact O-N 3.38Å; K305-V308 VanDerWaalsContact O-N 3.15Å; V308-A312 VanDerWaalsContact O-CB 3.22Å; V308-A312 WeakPolarHBondContact O-CB 3.33Å; V308-A312 PolarHBondContact O-N 3.48Å; V308-F336 HydrophobicContact CB-CD1 4.45Å; V308-F336 HydrophobicContact CB-CE1 4.37Å; V308-F336 HydrophobicContact CG1-CD1 4.32Å; V308-F336 HydrophobicContact CG1-CE1 4.34Å; V308-I474 HydrophobicContact CB-CD1 4.47Å; V308-I474 HydrophobicContact CG1-CD1 4.07Å; V308-I474 HydrophobicContact CG2-CD1 4.18Å; V308-I474 HydrophobicContact CG2-CG2 3.89Å
309	E	93.5	Very high	91	Very high	22 Å²	22	30.1 Å²	30.1	10%	0.103	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-47.2	177.4	-67.9	-174.5	132.4	0	0	112.9	K113 F114 K305 K306 C307 A312 F313 F336 Y338	K113-E309 WeakPolarHBondContact CE-OE2 3.25Å; K113-E309 IonicContact NZ-OE1 2.61Å; K113-E309 PolarHBondContact NZ-OE1 3.45Å; K113-E309 IonicContact NZ-OE2 3.03Å; K113-E309 PolarHBondContact NZ-OE2 3.21Å; F114-E309 HydrophobicContact CE1-CB 4.12Å; F114-E309 HydrophobicContact CZ-CB 4.03Å; K305-E309 WeakPolarHBondContact O-CG 3.26Å; K305-E309 PolarHBondContact O-N 3.21Å; K306-E309 PolarHBondContact O-N 2.91Å; C307-E309 VanDerWaalsContact C-N 3.31Å; C307-E309 PolarHBondContact O-N 3.25Å; E309-A312 PolarHBondContact O-N 3.21Å; E309-F313 WeakPolarHBondContact O-CB 3.43Å; E309-F313 PolarHBondContact O-N 2.89Å; E309-F336 HydrophobicContact CG-CE1 3.71Å; E309-F336 HydrophobicContact CG-CZ 3.59Å; E309-Y338 HydrophobicContact CB-CD2 4.19Å; E309-Y338 HydrophobicContact CG-CD2 4.05Å
310	H	95.1	Very high	89.4	Confident	17 Å²	17	29.9 Å²	29.9	8%	0.079	15%	0.15	C	C	.	.	H	α-helix	trans	-65.8	-42.8	-179.4	-78.4	67.8	0	0	0	112.1	F114 V242 W261 K306 C307 F313 F314	F114-H310 AromaticContact CD1-CD2 3.94Å; F114-H310 AromaticContact CD1-CE1 3.84Å; F114-H310 AromaticContact CD1-NE2 3.78Å; F114-H310 AromaticContact CE1-CE1 3.87Å; F114-H310 AromaticContact CE1-ND1 3.75Å; V242-H310 HydrophobicContact CG2-CB 3.72Å; W261-H310 HydrophobicContact CZ2-CB 3.85Å; K306-H310 PolarHBondContact O-N 3.38Å; K306-H310 PolarHBondContact O-ND1 3.36Å; C307-H310 PolarHBondContact O-N 3.03Å; H310-F313 PolarHBondContact O-N 2.85Å; H310-F314 WeakPolarHBondContact O-CB 3.28Å; H310-F314 WeakPolarHBondContact O-CD2 3.4Å; H310-F314 PolarHBondContact O-N 3.33Å
311	H	93.1	Very high	87.7	Confident	8 Å²	8	40.6 Å²	40.6	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-48.1	174.6	-178.1	-82.9	0	0	0	111.2	W261 C307 F313 F314 R315 C316 M472	W261-H311 HydrophobicContact CD2-CB 4.25Å; W261-H311 AromaticContact CD2-CD2 3.77Å; W261-H311 HydrophobicContact CE3-CB 4.07Å; W261-H311 AromaticContact CE3-CD2 3.64Å; W261-H311 AromaticContact CG-CD2 3.99Å; W261-H311 HydrophobicContact CH2-CB 4.12Å; W261-H311 HydrophobicContact CZ2-CB 4.28Å; W261-H311 HydrophobicContact CZ3-CB 4Å; C307-H311 WeakPolarHBondContact O-CB 3.27Å; C307-H311 PolarHBondContact O-N 2.94Å; H311-F313 VanDerWaalsContact C-N 3.32Å; H311-F313 PolarHBondContact O-N 3.4Å; H311-F314 PolarHBondContact O-N 3.04Å; H311-R315 WeakPolarHBondContact O-CA 3.48Å; H311-R315 WeakPolarHBondContact O-CB 3.27Å; H311-R315 PolarHBondContact O-N 3.23Å; H311-C316 PolarHBondContact O-N 3.38Å; H311-M472 HydrophobicContact CB-CE 3.57Å; H311-M472 WeakPolarHBondContact NE2-CB 3.44Å
312	A	92.3	Very high	85.8	Confident	12 Å²	12	41 Å²	41	10%	0.099	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-36.1	-178.7	0	0	0	0	0	112.9	V308 E309 C316 Y338 T342	V308-A312 VanDerWaalsContact O-CB 3.22Å; V308-A312 WeakPolarHBondContact O-CB 3.33Å; V308-A312 PolarHBondContact O-N 3.48Å; E309-A312 PolarHBondContact O-N 3.21Å; A312-C316 WeakPolarHBondContact O-CB 3.4Å; A312-Y338 HydrophobicContact CB-CD1 3.66Å; A312-Y338 HydrophobicContact CB-CG 3.93Å; A312-T342 WeakPolarHBondContact O-CG2 3.49Å
313	F	94.4	Very high	83.7	Confident	1 Å²	1	44.6 Å²	44.6	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-72.1	-46.8	176.5	-175.1	-105.9	0	0	0	112.9	D73 Y74 F114 E309 H310 H311 Y338 R341 Q343	D73-F313 HydrophobicContact CB-CE2 3.91Å; Y74-F313 AromaticContact CD1-CE1 3.72Å; Y74-F313 HydrophobicContact CD1-CE1 3.72Å; Y74-F313 AromaticContact CD1-CZ 3.55Å; Y74-F313 HydrophobicContact CD1-CZ 3.55Å; Y74-F313 AromaticContact CE1-CE1 3.64Å; Y74-F313 HydrophobicContact CE1-CE1 3.64Å; Y74-F313 AromaticContact CE1-CZ 3.54Å; Y74-F313 HydrophobicContact CE1-CZ 3.54Å; Y74-F313 HydrophobicContact CG-CZ 4.25Å; F114-F313 HydrophobicContact CB-CD1 3.68Å; F114-F313 HydrophobicContact CB-CE1 3.65Å; F114-F313 HydrophobicContact CB-CG 4.49Å; F114-F313 HydrophobicContact CB-CZ 4.45Å; F114-F313 HydrophobicContact CD1-CB 4.38Å; F114-F313 HydrophobicContact CD1-CD1 4.21Å; F114-F313 HydrophobicContact CD1-CG 4.42Å; F114-F313 HydrophobicContact CD2-CB 4.07Å; F114-F313 AromaticContact CD2-CD1 3.55Å; F114-F313 HydrophobicContact CD2-CD1 3.55Å; F114-F313 AromaticContact CD2-CD2 3.77Å; F114-F313 HydrophobicContact CD2-CD2 3.77Å; F114-F313 AromaticContact CD2-CE1 3.86Å; F114-F313 HydrophobicContact CD2-CE1 3.86Å; F114-F313 HydrophobicContact CD2-CE2 4.07Å; F114-F313 AromaticContact CD2-CG 3.5Å; F114-F313 HydrophobicContact CD2-CG 3.5Å; F114-F313 VanDerWaalsContact CD2-CG 3.5Å; F114-F313 HydrophobicContact CD2-CZ 4.11Å; F114-F313 HydrophobicContact CE1-CB 4.12Å; F114-F313 HydrophobicContact CE2-CB 3.81Å; F114-F313 HydrophobicContact CE2-CD1 4.17Å; F114-F313 AromaticContact CE2-CD2 3.81Å; F114-F313 HydrophobicContact CE2-CD2 3.81Å; F114-F313 HydrophobicContact CE2-CE2 4.45Å; F114-F313 AromaticContact CE2-CG 3.65Å; F114-F313 HydrophobicContact CE2-CG 3.65Å; F114-F313 HydrophobicContact CG-CB 4.35Å; F114-F313 AromaticContact CG-CD1 3.57Å; F114-F313 HydrophobicContact CG-CD1 3.57Å; F114-F313 AromaticContact CG-CE1 3.97Å; F114-F313 HydrophobicContact CG-CE1 3.97Å; F114-F313 AromaticContact CG-CG 3.92Å; F114-F313 HydrophobicContact CG-CG 3.92Å; F114-F313 HydrophobicContact CZ-CB 3.82Å; F114-F313 HydrophobicContact CZ-CG 4.17Å; E309-F313 WeakPolarHBondContact O-CB 3.43Å; E309-F313 PolarHBondContact O-N 2.89Å; H310-F313 PolarHBondContact O-N 2.85Å; H311-F313 VanDerWaalsContact C-N 3.32Å; H311-F313 PolarHBondContact O-N 3.4Å; F313-Y338 HydrophobicContact CB-CE1 4.03Å; F313-Y338 HydrophobicContact CD2-CE1 4.04Å; F313-Y338 AromaticContact CD2-CZ 3.96Å; F313-Y338 WeakPolarHBondContact CD2-OH 3.04Å; F313-R341 WeakPolarHBondContact CD2-O 3.38Å; F313-Q343 HydrophobicContact CD1-CB 4.29Å; F313-Q343 HydrophobicContact CE1-CB 3.85Å; F313-Q343 HydrophobicContact CE1-CG 4.25Å; F313-Q343 HydrophobicContact CE2-CB 4.28Å; F313-Q343 HydrophobicContact CZ-CB 3.84Å; F313-Q343 HydrophobicContact CZ-CG 4.23Å; F313-Q343 PolarHBondContact O-N 3.02Å
314	F	93.2	Very high	81.4	Confident	25 Å²	25	55.3 Å²	55.3	11%	0.11	28%	0.277	C	S	.	.	H	α-helix	trans	-94.9	-12.2	-170.5	-72	-70.8	0	0	0	115.7	F114 H244 H310 H311 Q343	F114-F314 HydrophobicContact CB-CE2 3.8Å; F114-F314 HydrophobicContact CB-CZ 3.73Å; F114-F314 HydrophobicContact CD1-CE2 4.05Å; F114-F314 HydrophobicContact CG-CE2 4.21Å; H244-F314 VanDerWaalsContact CA-CD2 3.48Å; H244-F314 HydrophobicContact CB-CB 4.48Å; H244-F314 HydrophobicContact CB-CD1 3.58Å; H244-F314 HydrophobicContact CB-CD2 3.84Å; H244-F314 HydrophobicContact CB-CE1 3.57Å; H244-F314 HydrophobicContact CB-CE2 3.81Å; H244-F314 HydrophobicContact CB-CG 3.72Å; H244-F314 HydrophobicContact CB-CZ 3.67Å; H310-F314 WeakPolarHBondContact O-CB 3.28Å; H310-F314 WeakPolarHBondContact O-CD2 3.4Å; H310-F314 PolarHBondContact O-N 3.33Å; H311-F314 PolarHBondContact O-N 3.04Å; F314-Q343 VanDerWaalsContact CD1-OE1 3.27Å
315	R	90.4	Very high	79.3	Confident	111 Å²	111	58.3 Å²	58.3	42%	0.419	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	-29.7	-174.6	-65.3	-61.9	-172.2	-176.8	0.3	115.8	W261 H311	W261-R315 HydrophobicContact CB-CG 3.94Å; W261-R315 HydrophobicContact CG-CG 3.91Å; H311-R315 WeakPolarHBondContact O-CA 3.48Å; H311-R315 WeakPolarHBondContact O-CB 3.27Å; H311-R315 PolarHBondContact O-N 3.23Å
316	C	86.7	Confident	77.2	Confident	35 Å²	35	66.4 Å²	66.4	24%	0.236	34%	0.339	C	S	.	.			trans	-74.3	137.6	174.8	-63.7	0	0	0	0	109.9	H311 A312 E318 T342	H311-C316 PolarHBondContact O-N 3.38Å; A312-C316 WeakPolarHBondContact O-CB 3.4Å; C316-E318 WeakPolarHBondContact CB-O 3.25Å; C316-T342 HydrophobicContact CB-CG2 4.21Å; C316-T342 WeakPolarHBondContact O-CB 3.34Å; C316-T342 WeakPolarHBondContact O-CG2 3.45Å
317	A	83.9	Confident	74.9	Confident	38 Å²	38	70 Å²	70	31%	0.314	36%	0.364	S	S	.	.	S	Bend	trans	-66.3	-51.1	169.7	0	0	0	0	0	109.7	T342	A317-T342 PolarHBondContact O-OG1 2.86Å
318	E	78	Confident	73.1	Confident	131 Å²	131	81 Å²	81	61%	0.612	41%	0.405	S	S	*	.	S	Bend	trans	-127.6	161.4	175.5	-61.5	-157.5	-156.1	0	0	112.2	C316 Q345	C316-E318 WeakPolarHBondContact CB-O 3.25Å; E318-Q345 HydrophobicContact CG-CG 4.35Å; E318-Q345 VanDerWaalsContact CG-NE2 3.32Å; E318-Q345 PolarHBondContact OE2-NE2 3.4Å
319	I	77.2	Confident	71.2	Confident	29 Å²	29	87.3 Å²	87.3	15%	0.149	44%	0.438	C	S	.	.			trans	-92.5	111.8	166.3	-48.8	-178.1	0	0	0	109.4	R321 Y338 G340 T342	I319-R321 PolarHBondContact O-N 3.13Å; I319-Y338 HydrophobicContact CD1-CD1 3.32Å; I319-Y338 HydrophobicContact CD1-CE1 3.68Å; I319-Y338 HydrophobicContact CD1-CG 4.13Å; I319-Y338 HydrophobicContact CG1-CD1 4.19Å; I319-G340 VanDerWaalsContact CD1-O 3.23Å; I319-G340 WeakPolarHBondContact CD1-O 3.33Å; I319-T342 HydrophobicContact CG1-CG2 3.78Å
320	C	58.2	Low	69.2	Low	41 Å²	41	95.3 Å²	95.3	28%	0.277	47%	0.473	S	S	.	.			trans	-58.5	97.6	171	-44.4	0	0	0	0	110.1	A322 R337	C320-A322 PolarHBondContact O-N 3.43Å; C320-R337 PolarHBondContact O-NH1 3.18Å
321	R	58.6	Low	66.9	Low	226 Å²	226	96.9 Å²	96.9	85%	0.853	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-64.8	127.5	176.6	-69.7	177.1	174.6	166.4	-0.9	108.4	I319	I319-R321 PolarHBondContact O-N 3.13Å
322	A	52.6	Low	64.7	Low	63 Å²	63	103.4 Å²	103.4	52%	0.521	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-58.5	129	-176.5	0	0	0	0	0	110.8	C320 K324	C320-A322 PolarHBondContact O-N 3.43Å; A322-K324 PolarHBondContact O-N 3.03Å
323	P	45.8	Very low	62.7	Low	109 Å²	109	103 Å²	103	71%	0.708	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-55.1	124.3	-177.8	-29.4	35.7	0	0	0	112.1	G325	P323-G325 PolarHBondContact O-N 3.18Å
324	K	47.6	Very low	60.8	Low	225 Å²	225	103.2 Å²	103.2	98%	0.978	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	64	179.2	-65.4	-179.6	179.9	176.3	0	111.2	A322	A322-K324 PolarHBondContact O-N 3.03Å
325	G	51.4	Low	59.3	Low	67 Å²	67	106.2 Å²	106.2	69%	0.691	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-172	-25.1	-176.6	0	0	0	0	0	117.2	P323 T327	P323-G325 PolarHBondContact O-N 3.18Å; G325-T327 PolarHBondContact O-N 2.95Å
326	R	47.5	Very low	58.6	Low	191 Å²	191	102.5 Å²	102.5	72%	0.721	53%	0.527	S	S	*	.			trans	-74	118.8	178.5	-78.5	-167	179.6	174.6	4.1	111.7	R328 H510	R326-R328 PolarHBondContact O-N 2.82Å; R326-H510 PolarHBondContact NH1-CD2 2.63Å; R326-H510 PolarHBondContact NH1-NE2 2.81Å
327	T	46.8	Very low	58.2	Low	113 Å²	113	103.7 Å²	103.7	69%	0.693	53%	0.526	S	S	*	.			trans	-58.5	129.7	179.6	-29.5	0	0	0	0	111.2	G325 L329	G325-T327 PolarHBondContact O-N 2.95Å; T327-L329 HydrophobicContact CG2-CD1 3.95Å; T327-L329 HydrophobicContact CG2-CG 4.04Å; T327-L329 PolarHBondContact O-N 3.34Å
328	R	55.8	Low	58.2	Low	230 Å²	230	102.5 Å²	102.5	87%	0.868	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-70	5.7	-170.2	-76.7	-176.6	-82.4	-178.3	-5.9	116.1	R326 F330	R326-R328 PolarHBondContact O-N 2.82Å; R328-F330 VanDerWaalsContact C-N 3.34Å; R328-F330 PolarHBondContact O-N 3.04Å
329	L	53.8	Low	58.6	Low	139 Å²	139	100.4 Å²	100.4	73%	0.728	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-71.6	-19.3	-168.1	-63	172.9	0	0	0	115	T327	T327-L329 HydrophobicContact CG2-CD1 3.95Å; T327-L329 HydrophobicContact CG2-CG 4.04Å; T327-L329 PolarHBondContact O-N 3.34Å
330	F	51.3	Low	59.1	Low	190 Å²	190	100.2 Å²	100.2	83%	0.833	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-118.9	14.3	-177.2	-63.2	-72.6	0	0	0	114.5	R328 K332	R328-F330 VanDerWaalsContact C-N 3.34Å; R328-F330 PolarHBondContact O-N 3.04Å; F330-K332 PolarHBondContact O-N 3.14Å
331	A	46.9	Very low	60.6	Low	51 Å²	51	100.6 Å²	100.6	42%	0.421	51%	0.508	S	S	.	.			trans	-70.8	101.8	178	0	0	0	0	0	110.8	Q506 G507	A331-Q506 VanDerWaalsContact O-O 3.08Å; A331-G507 WeakPolarHBondContact O-CA 3.31Å
332	K	45.6	Very low	62.2	Low	145 Å²	145	89.8 Å²	89.8	63%	0.63	47%	0.467	S	S	*	.			trans	-129.6	95.6	170.2	-70.1	-178	-179.9	177.4	0	112.2	F330 Q506	F330-K332 PolarHBondContact O-N 3.14Å; K332-Q506 HydrophobicContact CB-CB 4.01Å; K332-Q506 HydrophobicContact CG-CB 4.43Å
333	G	50.5	Low	64.1	Low	3 Å²	3	88.2 Å²	88.2	3%	0.031	45%	0.449	C	S	.	.	S	Bend	trans	157.7	76.9	170.9	0	0	0	0	0	118.2	D476 G507 S508	G333-D476 VanDerWaalsContact CA-OD2 3.25Å; G333-D476 WeakPolarHBondContact CA-OD2 3.5Å; G333-G507 CarbonylContact C-O 3.49Å; G333-G507 CarbonylContact O-C 3.58Å; G333-S508 VanDerWaalsContact N-N 3.1Å; G333-S508 VanDerWaalsContact O-CA 3.25Å; G333-S508 WeakPolarHBondContact O-CA 3.49Å; G333-S508 PolarHBondContact O-N 3.17Å
334	C	54.8	Low	66.2	Low	5 Å²	5	88.9 Å²	88.9	3%	0.034	44%	0.437	C	S	.	.			trans	4.8	108.2	-160	-174.1	0	0	0	0	122.1	F269 K301 F336 D476 G507 Y509	F269-C334 HydrophobicContact CE1-CB 4.29Å; F269-C334 HydrophobicContact CZ-CB 4.45Å; K301-C334 WeakPolarHBondContact CE-SG 3.48Å; K301-C334 PolarHBondContact NZ-SG 3.38Å; C334-F336 PolarHBondContact O-N 3.44Å; C334-D476 PolarHBondContact N-OD2 3.22Å; C334-G507 CarbonylContact C-O 3.13Å; C334-G507 VanDerWaalsContact CA-N 3.3Å; C334-Y509 VanDerWaalsContact O-CE2 3.26Å; C334-Y509 WeakPolarHBondContact O-CE2 3.45Å
335	S	62.8	Low	68.3	Low	89 Å²	89	80.1 Å²	80.1	62%	0.622	40%	0.4	S	S	*	.			trans	-86.6	49.2	-163.6	70.5	0	0	0	0	118	G507 Y509	S335-G507 WeakPolarHBondContact CA-O 3.19Å; S335-G507 WeakPolarHBondContact CB-O 3.35Å; S335-G507 PolarHBondContact N-O 2.9Å; S335-Y509 VanDerWaalsContact C-OH 3.27Å
336	F	74.6	Confident	70.2	Confident	32 Å²	32	77 Å²	77	14%	0.14	37%	0.367	C	S	.	.			trans	-99.4	113.8	-179.8	172.6	-105.5	0	0	0	114.4	W304 K305 V308 E309 C334 Y509	W304-F336 HydrophobicContact CZ3-CB 4.22Å; W304-F336 HydrophobicContact CZ3-CD1 4.39Å; K305-F336 HydrophobicContact CB-CD1 3.87Å; K305-F336 HydrophobicContact CB-CE1 3.72Å; K305-F336 HydrophobicContact CB-CZ 4.34Å; K305-F336 HydrophobicContact CD-CD1 4.27Å; K305-F336 HydrophobicContact CD-CD2 4.36Å; K305-F336 HydrophobicContact CD-CG 4.16Å; K305-F336 VanDerWaalsContact CE-CG 3.42Å; K305-F336 HydrophobicContact CG-CB 4.44Å; K305-F336 HydrophobicContact CG-CD1 3.58Å; K305-F336 HydrophobicContact CG-CE1 3.94Å; K305-F336 HydrophobicContact CG-CG 3.9Å; V308-F336 HydrophobicContact CB-CD1 4.45Å; V308-F336 HydrophobicContact CB-CE1 4.37Å; V308-F336 HydrophobicContact CG1-CD1 4.32Å; V308-F336 HydrophobicContact CG1-CE1 4.34Å; E309-F336 HydrophobicContact CG-CE1 3.71Å; E309-F336 HydrophobicContact CG-CZ 3.59Å; C334-F336 PolarHBondContact O-N 3.44Å; F336-Y509 PolarHBondContact N-OH 2.77Å; F336-Y509 PolarHBondContact O-OH 3Å
337	R	78.4	Confident	72.1	Confident	61 Å²	61	68.9 Å²	68.9	23%	0.23	34%	0.339	C	S	.	.			trans	-95.9	150.8	170.5	-63.8	-153.5	170.5	-123.2	-23.6	110.4	C320 Y509 H510	C320-R337 PolarHBondContact O-NH1 3.18Å; R337-Y509 HydrophobicContact CG-CE1 3.76Å; R337-Y509 WeakPolarHBondContact CG-OH 3.23Å; R337-Y509 PolarHBondContact N-OH 3.26Å; R337-Y509 VanDerWaalsContact NH2-CD1 3.34Å; R337-H510 PolarHBondContact NH1-O 2.92Å; R337-H510 PolarHBondContact NH2-O 3.09Å
338	Y	85.2	Confident	74	Confident	13 Å²	13	66.4 Å²	66.4	5%	0.051	32%	0.319	C	S	.	.			trans	-63.7	146.1	154.1	179.4	-128.5	0	0	0	109.5	F114 E309 A312 F313 I319 R341	F114-Y338 AromaticContact CE2-CE2 3.79Å; F114-Y338 HydrophobicContact CE2-CE2 3.79Å; F114-Y338 AromaticContact CE2-CZ 3.83Å; F114-Y338 HydrophobicContact CZ-CD2 4.36Å; F114-Y338 AromaticContact CZ-CE2 3.78Å; F114-Y338 HydrophobicContact CZ-CE2 3.78Å; E309-Y338 HydrophobicContact CB-CD2 4.19Å; E309-Y338 HydrophobicContact CG-CD2 4.05Å; A312-Y338 HydrophobicContact CB-CD1 3.66Å; A312-Y338 HydrophobicContact CB-CG 3.93Å; F313-Y338 HydrophobicContact CB-CE1 4.03Å; F313-Y338 HydrophobicContact CD2-CE1 4.04Å; F313-Y338 AromaticContact CD2-CZ 3.96Å; F313-Y338 WeakPolarHBondContact CD2-OH 3.04Å; I319-Y338 HydrophobicContact CD1-CD1 3.32Å; I319-Y338 HydrophobicContact CD1-CE1 3.68Å; I319-Y338 HydrophobicContact CD1-CG 4.13Å; I319-Y338 HydrophobicContact CG1-CD1 4.19Å; Y338-R341 WeakPolarHBondContact CE1-O 3.31Å; Y338-R341 PolarHBondContact OH-O 3.4Å; Y338-R341 VanDerWaalsContact OH-O 3.06Å
339	D	84.9	Confident	75.5	Confident	87 Å²	87	59.4 Å²	59.4	47%	0.465	29%	0.294	S	S	.	.			trans	-141.2	92.7	-165.4	-178.8	29.7	0	0	0	108.6	K91	K91-D339 WeakPolarHBondContact CB-OD2 3.44Å; K91-D339 HydrophobicContact CD-CB 4.46Å; K91-D339 WeakPolarHBondContact CD-OD2 3.36Å; K91-D339 PolarHBondContact NZ-O 2.91Å
340	G	87.5	Confident	77.1	Confident	25 Å²	25	52.9 Å²	52.9	26%	0.258	26%	0.259	S	S	.	.	S	Bend	trans	170.1	-160.7	-168.9	0	0	0	0	0	111.5	D73 I319	D73-G340 WeakPolarHBondContact OD1-CA 3.46Å; I319-G340 VanDerWaalsContact CD1-O 3.23Å; I319-G340 WeakPolarHBondContact CD1-O 3.33Å
341	R	91.2	Very high	78.6	Confident	48 Å²	48	50.3 Å²	50.3	18%	0.181	24%	0.244	C	C	.	.			trans	-97.2	148.9	162.6	-71	168.4	-68.9	-167.2	1.8	109.5	I70 T72 D73 F313 Y338 Q345 L346 Y349	I70-R341 PolarHBondContact O-NH2 3.09Å; T72-R341 PolarHBondContact OG1-NH2 2.89Å; D73-R341 PolarHBondContact OD1-N 3.14Å; D73-R341 IonicContact OD2-CZ 3.85Å; D73-R341 VanDerWaalsContact OD2-CZ 3.24Å; D73-R341 IonicContact OD2-NE 2.91Å; D73-R341 PolarHBondContact OD2-NE 2.95Å; D73-R341 IonicContact OD2-NH2 2.81Å; D73-R341 PolarHBondContact OD2-NH2 2.94Å; F313-R341 WeakPolarHBondContact CD2-O 3.38Å; Y338-R341 WeakPolarHBondContact CE1-O 3.31Å; Y338-R341 PolarHBondContact OH-O 3.4Å; Y338-R341 VanDerWaalsContact OH-O 3.06Å; R341-Q345 HydrophobicContact CB-CB 3.97Å; R341-Q345 HydrophobicContact CG-CB 4.3Å; R341-L346 HydrophobicContact CB-CB 4.32Å; R341-Y349 VanDerWaalsContact NH1-CE1 3.31Å
342	T	92.6	Very high	80.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.253	C	S	.	.			trans	-66.8	164.4	163.6	69	0	0	0	0	109.9	A312 C316 A317 I319 R344 Q345 L346	A312-T342 WeakPolarHBondContact O-CG2 3.49Å; C316-T342 HydrophobicContact CB-CG2 4.21Å; C316-T342 WeakPolarHBondContact O-CB 3.34Å; C316-T342 WeakPolarHBondContact O-CG2 3.45Å; A317-T342 PolarHBondContact O-OG1 2.86Å; I319-T342 HydrophobicContact CG1-CG2 3.78Å; T342-R344 PolarHBondContact O-N 3.01Å; T342-R344 PolarHBondContact OG1-N 3.35Å; T342-Q345 PolarHBondContact O-N 2.85Å; T342-Q345 WeakPolarHBondContact OG1-CB 3.24Å; T342-Q345 WeakPolarHBondContact OG1-CG 3.31Å; T342-Q345 PolarHBondContact OG1-N 2.83Å; T342-L346 WeakPolarHBondContact O-CB 3.26Å; T342-L346 PolarHBondContact O-N 3.32Å
343	Q	91.9	Very high	81.7	Confident	30 Å²	30	52 Å²	52	14%	0.14	25%	0.245	C	C	.	.	H	α-helix	trans	-57.1	-38.6	173.6	-170	-174.6	-0.7	0	0	110.5	Y74 D121 F313 F314 L346 V347	Y74-Q343 HydrophobicContact CE1-CG 4.42Å; Y74-Q343 PolarHBondContact OH-NE2 3.19Å; D121-Q343 PolarHBondContact OD2-NE2 2.93Å; F313-Q343 HydrophobicContact CD1-CB 4.29Å; F313-Q343 HydrophobicContact CE1-CB 3.85Å; F313-Q343 HydrophobicContact CE1-CG 4.25Å; F313-Q343 HydrophobicContact CE2-CB 4.28Å; F313-Q343 HydrophobicContact CZ-CB 3.84Å; F313-Q343 HydrophobicContact CZ-CG 4.23Å; F313-Q343 PolarHBondContact O-N 3.02Å; F314-Q343 VanDerWaalsContact CD1-OE1 3.27Å; Q343-L346 PolarHBondContact O-N 3.5Å; Q343-V347 WeakPolarHBondContact O-CG2 3.44Å; Q343-V347 PolarHBondContact O-N 2.88Å
344	R	89.6	Confident	82.5	Confident	123 Å²	123	54.8 Å²	54.8	46%	0.464	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-53.5	175.9	178.2	173.5	172.3	168.1	1.9	112	T342 L346 V347 E348	T342-R344 PolarHBondContact O-N 3.01Å; T342-R344 PolarHBondContact OG1-N 3.35Å; R344-L346 PolarHBondContact O-N 2.89Å; R344-V347 PolarHBondContact O-N 2.95Å; R344-E348 HydrophobicContact CG-CG 4.45Å; R344-E348 WeakPolarHBondContact CG-OE2 3.17Å; R344-E348 IonicContact CZ-OE1 3.6Å; R344-E348 VanDerWaalsContact CZ-OE1 3.26Å; R344-E348 IonicContact NE-OE1 2.75Å; R344-E348 PolarHBondContact NE-OE1 3.14Å; R344-E348 IonicContact NE-OE2 2.78Å; R344-E348 IonicContact NH2-OE1 3.2Å; R344-E348 PolarHBondContact NH2-OE1 3.49Å; R344-E348 WeakPolarHBondContact O-CB 3.46Å; R344-E348 WeakPolarHBondContact O-CG 3.33Å; R344-E348 PolarHBondContact O-N 3.31Å
345	Q	91.2	Very high	82.6	Confident	41 Å²	41	64.6 Å²	64.6	19%	0.192	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-28.9	177.1	-76.4	178.5	-36.1	0	0	112.9	E318 R341 T342 Y349	E318-Q345 HydrophobicContact CG-CG 4.35Å; E318-Q345 VanDerWaalsContact CG-NE2 3.32Å; E318-Q345 PolarHBondContact OE2-NE2 3.4Å; R341-Q345 HydrophobicContact CB-CB 3.97Å; R341-Q345 HydrophobicContact CG-CB 4.3Å; T342-Q345 PolarHBondContact O-N 2.85Å; T342-Q345 WeakPolarHBondContact OG1-CB 3.24Å; T342-Q345 WeakPolarHBondContact OG1-CG 3.31Å; T342-Q345 PolarHBondContact OG1-N 2.83Å; Q345-Y349 WeakPolarHBondContact O-CB 3.22Å; Q345-Y349 PolarHBondContact O-N 3.12Å
346	L	90.9	Very high	82.3	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-70.1	-48.5	174.6	175.1	59.7	0	0	0	111.2	E71 Y74 R341 T342 Q343 R344 Y349 L350	E71-L346 HydrophobicContact CB-CD2 4.19Å; Y74-L346 HydrophobicContact CD2-CD2 3.8Å; Y74-L346 HydrophobicContact CE2-CD2 3.51Å; R341-L346 HydrophobicContact CB-CB 4.32Å; T342-L346 WeakPolarHBondContact O-CB 3.26Å; T342-L346 PolarHBondContact O-N 3.32Å; Q343-L346 PolarHBondContact O-N 3.5Å; R344-L346 PolarHBondContact O-N 2.89Å; L346-Y349 PolarHBondContact O-N 2.91Å; L346-L350 HydrophobicContact CD1-CD1 4.01Å; L346-L350 HydrophobicContact CD1-CG 4.24Å; L346-L350 HydrophobicContact CG-CD1 3.97Å; L346-L350 WeakPolarHBondContact O-CD1 3.35Å; L346-L350 VanDerWaalsContact O-CG 3.23Å; L346-L350 WeakPolarHBondContact O-CG 3.36Å; L346-L350 PolarHBondContact O-N 2.78Å
347	V	87.9	Confident	81.9	Confident	21 Å²	21	73.7 Å²	73.7	13%	0.127	32%	0.323	C	S	.	.	H	α-helix	trans	-63.2	-40.7	176.6	170.6	0	0	0	0	111.6	Q343 R344 L350 R351	Q343-V347 WeakPolarHBondContact O-CG2 3.44Å; Q343-V347 PolarHBondContact O-N 2.88Å; R344-V347 PolarHBondContact O-N 2.95Å; V347-L350 PolarHBondContact O-N 3.16Å; V347-R351 VanDerWaalsContact CG1-CZ 3.42Å; V347-R351 WeakPolarHBondContact O-CD 3.35Å; V347-R351 VanDerWaalsContact O-CG 3.29Å; V347-R351 WeakPolarHBondContact O-CG 3.37Å; V347-R351 PolarHBondContact O-N 2.92Å; V347-R351 VanDerWaalsContact O-N 3.13Å
348	E	87.3	Confident	81.3	Confident	62 Å²	62	78.1 Å²	78.1	29%	0.29	35%	0.347	S	S	.	.	H	α-helix	trans	-62.1	-48	174.3	-72.1	165.7	159.3	0	0	111.2	R344 L350 R351 E352	R344-E348 HydrophobicContact CG-CG 4.45Å; R344-E348 WeakPolarHBondContact CG-OE2 3.17Å; R344-E348 IonicContact CZ-OE1 3.6Å; R344-E348 VanDerWaalsContact CZ-OE1 3.26Å; R344-E348 IonicContact NE-OE1 2.75Å; R344-E348 PolarHBondContact NE-OE1 3.14Å; R344-E348 IonicContact NE-OE2 2.78Å; R344-E348 IonicContact NH2-OE1 3.2Å; R344-E348 PolarHBondContact NH2-OE1 3.49Å; R344-E348 WeakPolarHBondContact O-CB 3.46Å; R344-E348 WeakPolarHBondContact O-CG 3.33Å; R344-E348 PolarHBondContact O-N 3.31Å; E348-L350 VanDerWaalsContact C-N 3.34Å; E348-L350 PolarHBondContact O-N 3.48Å; E348-R351 PolarHBondContact O-N 3.49Å; E348-E352 PolarHBondContact O-N 3.38Å
349	Y	87.3	Confident	80.6	Confident	83 Å²	83	80.1 Å²	80.1	33%	0.325	36%	0.361	S	S	.	.	H	α-helix	trans	-57.5	-42.6	174.6	173.7	-85	0	0	0	112.9	I70 R341 Q345 L346 E352 H353	I70-Y349 HydrophobicContact CG2-CD1 4.27Å; I70-Y349 HydrophobicContact CG2-CE1 3.63Å; R341-Y349 VanDerWaalsContact NH1-CE1 3.31Å; Q345-Y349 WeakPolarHBondContact O-CB 3.22Å; Q345-Y349 PolarHBondContact O-N 3.12Å; L346-Y349 PolarHBondContact O-N 2.91Å; Y349-E352 PolarHBondContact O-N 2.8Å; Y349-H353 AromaticContact CD2-CE1 3.62Å; Y349-H353 AromaticContact CD2-ND1 3.54Å; Y349-H353 HydrophobicContact CE1-CB 4.04Å; Y349-H353 AromaticContact CE2-CD2 3.93Å; Y349-H353 AromaticContact CE2-CE1 3.54Å; Y349-H353 AromaticContact CE2-CG 3.83Å; Y349-H353 AromaticContact CE2-ND1 3.55Å; Y349-H353 AromaticContact CE2-NE2 3.75Å; Y349-H353 AromaticContact CG-ND1 3.88Å; Y349-H353 AromaticContact CZ-CD2 3.95Å; Y349-H353 AromaticContact CZ-CG 3.72Å; Y349-H353 AromaticContact CZ-ND1 3.88Å; Y349-H353 WeakPolarHBondContact O-CB 3.43Å; Y349-H353 PolarHBondContact O-N 3.44Å; Y349-H353 PolarHBondContact O-ND1 3.49Å
350	L	86.4	Confident	80.3	Confident	2 Å²	2	78 Å²	78	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-63.5	-44.6	-179.7	-71.1	160.2	0	0	0	111.2	I70 E71 E123 L346 V347 E348 E352 H353 V354	I70-L350 HydrophobicContact CB-CD2 3.99Å; I70-L350 HydrophobicContact CD1-CD2 4.2Å; I70-L350 HydrophobicContact CG2-CD2 3.64Å; E71-L350 HydrophobicContact CG-CD1 3.83Å; E71-L350 HydrophobicContact CG-CD2 4.04Å; E123-L350 HydrophobicContact CB-CD1 4.1Å; E123-L350 HydrophobicContact CG-CB 4.27Å; E123-L350 HydrophobicContact CG-CD1 3.79Å; L346-L350 HydrophobicContact CD1-CD1 4.01Å; L346-L350 HydrophobicContact CD1-CG 4.24Å; L346-L350 HydrophobicContact CG-CD1 3.97Å; L346-L350 WeakPolarHBondContact O-CD1 3.35Å; L346-L350 VanDerWaalsContact O-CG 3.23Å; L346-L350 WeakPolarHBondContact O-CG 3.36Å; L346-L350 PolarHBondContact O-N 2.78Å; V347-L350 PolarHBondContact O-N 3.16Å; E348-L350 VanDerWaalsContact C-N 3.34Å; E348-L350 PolarHBondContact O-N 3.48Å; L350-E352 PolarHBondContact O-N 3.43Å; L350-H353 PolarHBondContact O-N 3.36Å; L350-V354 HydrophobicContact CB-CG2 4.03Å; L350-V354 HydrophobicContact CD2-CG2 3.95Å; L350-V354 VanDerWaalsContact O-CB 3.28Å; L350-V354 WeakPolarHBondContact O-CB 3.42Å; L350-V354 WeakPolarHBondContact O-CG2 3.4Å; L350-V354 PolarHBondContact O-N 2.81Å
351	R	83.4	Confident	79.7	Confident	135 Å²	135	77.8 Å²	77.8	51%	0.509	34%	0.342	S	S	.	.	H	α-helix	trans	-59.4	-29.7	177.7	-70.6	166.7	-178.1	-175.8	-0.2	113.3	V347 E348	V347-R351 VanDerWaalsContact CG1-CZ 3.42Å; V347-R351 WeakPolarHBondContact O-CD 3.35Å; V347-R351 VanDerWaalsContact O-CG 3.29Å; V347-R351 WeakPolarHBondContact O-CG 3.37Å; V347-R351 PolarHBondContact O-N 2.92Å; V347-R351 VanDerWaalsContact O-N 3.13Å; E348-R351 PolarHBondContact O-N 3.49Å
352	E	80.9	Confident	79.1	Confident	131 Å²	131	76.5 Å²	76.5	61%	0.612	34%	0.337	S	S	*	.	H	α-helix	trans	-78.5	-39.8	173.4	-67.7	173.6	170.4	0	0	112.9	E348 Y349 L350	E348-E352 PolarHBondContact O-N 3.38Å; Y349-E352 PolarHBondContact O-N 2.8Å; L350-E352 PolarHBondContact O-N 3.43Å
353	H	77.2	Confident	78	Confident	101 Å²	101	79.6 Å²	79.6	47%	0.468	36%	0.358	S	S	.	.	H	α-helix	trans	-108	-10.9	-162.6	-65	79	0	0	0	116.5	Y349 L350 R355	Y349-H353 AromaticContact CD2-CE1 3.62Å; Y349-H353 AromaticContact CD2-ND1 3.54Å; Y349-H353 HydrophobicContact CE1-CB 4.04Å; Y349-H353 AromaticContact CE2-CD2 3.93Å; Y349-H353 AromaticContact CE2-CE1 3.54Å; Y349-H353 AromaticContact CE2-CG 3.83Å; Y349-H353 AromaticContact CE2-ND1 3.55Å; Y349-H353 AromaticContact CE2-NE2 3.75Å; Y349-H353 AromaticContact CG-ND1 3.88Å; Y349-H353 AromaticContact CZ-CD2 3.95Å; Y349-H353 AromaticContact CZ-CG 3.72Å; Y349-H353 AromaticContact CZ-ND1 3.88Å; Y349-H353 WeakPolarHBondContact O-CB 3.43Å; Y349-H353 PolarHBondContact O-N 3.44Å; Y349-H353 PolarHBondContact O-ND1 3.49Å; L350-H353 PolarHBondContact O-N 3.36Å; H353-R355 PolarHBondContact O-N 3.27Å; H353-R355 VanDerWaalsContact O-N 3.09Å
354	V	66	Low	76.7	Confident	61 Å²	61	79.5 Å²	79.5	37%	0.37	36%	0.359	S	S	.	.			trans	-68.4	-6.8	-172.3	158.1	0	0	0	0	115.2	L350 K356	L350-V354 HydrophobicContact CB-CG2 4.03Å; L350-V354 HydrophobicContact CD2-CG2 3.95Å; L350-V354 VanDerWaalsContact O-CB 3.28Å; L350-V354 WeakPolarHBondContact O-CB 3.42Å; L350-V354 WeakPolarHBondContact O-CG2 3.4Å; L350-V354 PolarHBondContact O-N 2.81Å; V354-K356 PolarHBondContact O-N 2.98Å; V354-K356 VanDerWaalsContact O-N 3.15Å
355	R	56.9	Low	75.5	Confident	211 Å²	211	78 Å²	78	80%	0.796	36%	0.36	S	S	*	.	S	Bend	trans	-72.5	110.9	-178.2	-63.6	-171.6	-178.4	103.7	-2.2	112.5	H353	H353-R355 PolarHBondContact O-N 3.27Å; H353-R355 VanDerWaalsContact O-N 3.09Å
356	K	57.5	Low	73.5	Confident	208 Å²	208	78.5 Å²	78.5	90%	0.904	37%	0.368	S	S	*	.	S	Bend	trans	85.6	88.3	177	-53.1	176.2	-178.2	-178.8	0	115	V354	V354-K356 PolarHBondContact O-N 2.98Å; V354-K356 VanDerWaalsContact O-N 3.15Å
357	R	66.1	Low	71.2	Confident	104 Å²	104	79.2 Å²	79.2	39%	0.392	38%	0.375	S	S	.	.			trans	-134.1	153.9	162.5	-80.1	-176.7	154.1	-123.6	-16.8	110.9	N68 I70 E124	N68-R357 PolarHBondContact O-NH1 2.78Å; N68-R357 PolarHBondContact OD1-NH1 2.71Å; N68-R357 PolarHBondContact OD1-NH2 2.78Å; I70-R357 VanDerWaalsContact CG1-CZ 3.46Å; I70-R357 VanDerWaalsContact CG1-NH1 3.29Å; E124-R357 IonicContact OE2-NH1 2.73Å
358	E	66.2	Low	69	Low	155 Å²	155	88.2 Å²	88.2	72%	0.724	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-72	145.1	175.7	-62.3	-175.6	146.6	0	0	110.6	F360	E358-F360 PolarHBondContact O-N 3.44Å
359	P	69	Low	66.6	Low	55 Å²	55	92.6 Å²	92.6	36%	0.357	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-57.6	127.9	170.9	-22.9	33.6	0	0	0	111.1	L378	P359-L378 WeakPolarHBondContact CG-O 3.3Å
360	F	79.7	Confident	64.2	Low	43 Å²	43	96.2 Å²	96.2	19%	0.189	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-65	140.4	170.8	138.8	-99.8	0	0	0	110.1	E125 Y126 Y129 E358 R362	E125-F360 HydrophobicContact CG-CD1 4.29Å; E125-F360 HydrophobicContact CG-CE1 4.41Å; Y126-F360 AromaticContact CD2-CD2 3.39Å; Y126-F360 HydrophobicContact CD2-CD2 3.39Å; Y126-F360 AromaticContact CD2-CE2 3.54Å; Y126-F360 HydrophobicContact CD2-CE2 3.54Å; Y126-F360 AromaticContact CD2-CG 3.93Å; Y126-F360 HydrophobicContact CD2-CG 3.93Å; Y126-F360 HydrophobicContact CD2-CZ 4.18Å; Y126-F360 AromaticContact CE2-CD2 3.97Å; Y126-F360 HydrophobicContact CE2-CD2 3.97Å; Y126-F360 AromaticContact CE2-CE2 3.91Å; Y126-F360 HydrophobicContact CE2-CE2 3.91Å; Y126-F360 HydrophobicContact CG-CD2 4.31Å; Y126-F360 HydrophobicContact CG-CG 4.5Å; Y129-F360 HydrophobicContact CD1-CE1 4.39Å; Y129-F360 AromaticContact CD1-CE2 3.62Å; Y129-F360 HydrophobicContact CD1-CE2 3.62Å; Y129-F360 AromaticContact CD1-CZ 3.36Å; Y129-F360 HydrophobicContact CD1-CZ 3.36Å; Y129-F360 HydrophobicContact CD2-CZ 4.27Å; Y129-F360 AromaticContact CE1-CE2 3.9Å; Y129-F360 HydrophobicContact CE1-CE2 3.9Å; Y129-F360 AromaticContact CE1-CZ 3.88Å; Y129-F360 HydrophobicContact CE1-CZ 3.88Å; Y129-F360 HydrophobicContact CG-CE1 4.29Å; Y129-F360 HydrophobicContact CG-CE2 4.3Å; Y129-F360 AromaticContact CG-CZ 3.57Å; Y129-F360 HydrophobicContact CG-CZ 3.57Å; E358-F360 PolarHBondContact O-N 3.44Å; F360-R362 HydrophobicContact CE2-CB 3.98Å; F360-R362 HydrophobicContact CZ-CB 3.8Å
361	S	73.7	Confident	61.7	Low	19 Å²	19	101.8 Å²	101.8	13%	0.133	49%	0.49	C	S	.	.			trans	-120.3	149.7	170.3	69.5	0	0	0	0	110.3	P15	P15-S361 WeakPolarHBondContact CB-O 3.44Å
362	R	79.8	Confident	59.3	Low	22 Å²	22	101.2 Å²	101.2	8%	0.083	50%	0.497	C	S	.	.			trans	-120.5	151.8	173.9	71.5	-179	70.5	-174.5	-1	111.2	D210 F360 V364	D210-R362 VanDerWaalsContact CG-NH1 3.33Å; D210-R362 IonicContact OD1-CZ 2.78Å; D210-R362 IonicContact OD1-NH1 2.72Å; D210-R362 PolarHBondContact OD1-NH1 3.37Å; D210-R362 IonicContact OD2-CZ 2.71Å; D210-R362 VanDerWaalsContact OD2-CZ 3.25Å; D210-R362 IonicContact OD2-NH1 3.56Å; D210-R362 PolarHBondContact OD2-NH1 3.33Å; D210-R362 IonicContact OD2-NH2 2.7Å; D210-R362 PolarHBondContact OD2-NH2 3.3Å; F360-R362 HydrophobicContact CE2-CB 3.98Å; F360-R362 HydrophobicContact CZ-CB 3.8Å; R362-V364 PolarHBondContact O-N 3.27Å
363	P	68.6	Low	57.2	Low	65 Å²	65	100.3 Å²	100.3	42%	0.422	50%	0.501	S	S	.	.			trans	-61.5	129.1	163.4	-17.6	31.8	0	0	0	109.5	V13	V13-P363 WeakPolarHBondContact O-CG 3.29Å
364	V	65	Low	55.4	Low	27 Å²	27	101.8 Å²	101.8	16%	0.164	51%	0.506	C	S	.	.			trans	-102.8	128.6	169.6	-177.2	0	0	0	0	107.4	E162 R362 S366 Y376	E162-V364 CarbonylContact O-C 3.57Å; E162-V364 WeakPolarHBondContact O-CG1 3.34Å; R362-V364 PolarHBondContact O-N 3.27Å; V364-S366 PolarHBondContact O-N 2.77Å; V364-Y376 HydrophobicContact CG2-CD2 3.74Å; V364-Y376 HydrophobicContact CG2-CE2 3.91Å
365	L	63.5	Low	54.1	Low	92 Å²	92	104.1 Å²	104.1	48%	0.482	51%	0.513	S	S	.	.			trans	-74.5	77.4	172.1	-62.4	178.5	0	0	0	109.2	E162 G367	E162-L365 HydrophobicContact CB-CD1 4.46Å; E162-L365 PolarHBondContact O-N 3.22Å; L365-G367 PolarHBondContact O-N 3.33Å
366	S	49.5	Very low	53.2	Low	52 Å²	52	98 Å²	98	36%	0.364	49%	0.49	S	S	.	.			trans	-53.2	132.3	167.2	177.5	0	0	0	0	109.7	V364	V364-S366 PolarHBondContact O-N 2.77Å
367	G	43.9	Very low	52.1	Low	15 Å²	15	92.2 Å²	92.2	16%	0.155	47%	0.472	C	S	.	.			trans	-50.8	151.4	164.5	0	0	0	0	0	111.6	L365 N369	L365-G367 PolarHBondContact O-N 3.33Å; G367-N369 PolarHBondContact O-N 2.97Å
368	F	41.2	Very low	50.5	Low	210 Å²	210	91.5 Å²	91.5	92%	0.921	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	64.8	-172	-72.2	-92.1	0	0	0	113.3
369	N	35.7	Very low	48.8	Very low	153 Å²	153	89.5 Å²	89.5	82%	0.818	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-166.4	-11.4	160.6	-101.8	-39.7	0	0	0	116.1	G367 S371	G367-N369 PolarHBondContact O-N 2.97Å; N369-S371 PolarHBondContact O-N 3.24Å
370	R	38.3	Very low	47.1	Very low	159 Å²	159	93.6 Å²	93.6	60%	0.6	50%	0.495	S	S	*	.			trans	-91	108.4	179.6	-69	-177.2	-178.9	-95.9	-2	112.1	N372	R370-N372 PolarHBondContact O-N 2.7Å
371	S	32.8	Very low	45	Very low	119 Å²	119	97.6 Å²	97.6	83%	0.832	52%	0.522	S	S	*	.			trans	-68.8	16.5	174.1	54	0	0	0	0	115.3	N369	N369-S371 PolarHBondContact O-N 3.24Å
372	N	33.9	Very low	43.1	Very low	123 Å²	123	101.8 Å²	101.8	66%	0.658	55%	0.549	S	S	*	.			trans	-125	104.2	177.6	-80.7	-66	0	0	0	109.2	R370 K374	R370-N372 PolarHBondContact O-N 2.7Å; N372-K374 PolarHBondContact O-N 3.46Å
373	V	35.7	Very low	40.9	Very low	113 Å²	113	110.5 Å²	110.5	69%	0.685	59%	0.588	S	S	*	*			trans	-65.5	103.9	167.2	179.1	0	0	0	0	107.6	Q375	V373-Q375 VanDerWaalsContact C-N 3.26Å; V373-Q375 HydrophobicContact CG1-CG 4.27Å; V373-Q375 PolarHBondContact O-N 3.36Å
374	K	39.8	Very low	39.2	Very low	131 Å²	131	114.6 Å²	114.6	57%	0.57	61%	0.606	S	S	*	*			trans	-70.3	85.9	170.7	-72.3	-174.1	178.1	-179.5	0	109.2	N372 Y376	N372-K374 PolarHBondContact O-N 3.46Å; K374-Y376 PolarHBondContact O-N 2.94Å; K374-Y376 VanDerWaalsContact O-N 3.09Å
375	Q	39.3	Very low	37.9	Very low	111 Å²	111	120.8 Å²	120.8	52%	0.519	64%	0.638	S	S	.	*			trans	-63	108.3	161.2	-70.2	-178.8	-63.1	0	0	107.6	V373 T377	V373-Q375 VanDerWaalsContact C-N 3.26Å; V373-Q375 HydrophobicContact CG1-CG 4.27Å; V373-Q375 PolarHBondContact O-N 3.36Å; Q375-T377 PolarHBondContact O-N 3.43Å
376	Y	38.9	Very low	36.4	Very low	81 Å²	81	121.9 Å²	121.9	32%	0.318	65%	0.653	S	S	.	*			trans	-73.8	83.5	170.3	-71.2	-78.7	0	0	0	109	M205 P206 V364 K374	M205-Y376 HydrophobicContact CE-CD1 3.63Å; M205-Y376 HydrophobicContact CE-CE1 3.96Å; M205-Y376 HydrophobicContact CE-CG 4.47Å; M205-Y376 HydrophobicContact SD-CE1 4.32Å; P206-Y376 HydrophobicContact CG-CD2 4.21Å; P206-Y376 HydrophobicContact CG-CE2 4.32Å; V364-Y376 HydrophobicContact CG2-CD2 3.74Å; V364-Y376 HydrophobicContact CG2-CE2 3.91Å; K374-Y376 PolarHBondContact O-N 2.94Å; K374-Y376 VanDerWaalsContact O-N 3.09Å
377	T	32.9	Very low	35.8	Very low	87 Å²	87	124.4 Å²	124.4	53%	0.534	67%	0.671	S	S	.	*			trans	-91.3	113.5	172	-44.8	0	0	0	0	108.4	Q375 P379	Q375-T377 PolarHBondContact O-N 3.43Å; T377-P379 WeakPolarHBondContact O-CD 3.32Å
378	L	33.5	Very low	35.5	Very low	90 Å²	90	128.6 Å²	128.6	47%	0.471	70%	0.704	S	S	.	*			trans	-70.1	123.7	176.3	-68.8	176.7	0	0	0	110.4	P359 L380	P359-L378 WeakPolarHBondContact CG-O 3.3Å; L378-L380 PolarHBondContact O-N 3.07Å
379	P	30.6	Very low	35.3	Very low	113 Å²	113	128.1 Å²	128.1	73%	0.734	70%	0.702	S	S	*	*			trans	-71.6	123.6	172.7	-15.4	30.8	0	0	0	110.4	T377 V381	T377-P379 WeakPolarHBondContact O-CD 3.32Å; P379-V381 PolarHBondContact O-N 3.21Å; P379-V381 VanDerWaalsContact O-N 3.12Å
380	L	33.6	Very low	35.2	Very low	141 Å²	141	126.7 Å²	126.7	74%	0.738	70%	0.699	S	S	*	*			trans	-69	103.4	161.5	-80.2	166.2	0	0	0	108.4	L378 P382	L378-L380 PolarHBondContact O-N 3.07Å; L380-P382 WeakPolarHBondContact O-CD 3.13Å
381	V	35	Very low	35.3	Very low	126 Å²	126	123.6 Å²	123.6	76%	0.764	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-71	123.2	164.3	-173.3	0	0	0	0	107.1	P379	P379-V381 PolarHBondContact O-N 3.21Å; P379-V381 VanDerWaalsContact O-N 3.12Å
382	P	33.5	Very low	35.5	Very low	107 Å²	107	126.3 Å²	126.3	70%	0.695	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-64.9	153.6	-172.9	-23.8	34.8	0	0	0	113.9	L380	L380-P382 WeakPolarHBondContact O-CD 3.13Å
383	F	33.3	Very low	35.7	Very low	206 Å²	206	124.9 Å²	124.9	90%	0.904	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-76	129.6	156.1	-83.7	-96.5	0	0	0	108.7	D385	F383-D385 PolarHBondContact O-N 3.49Å
384	D	34	Very low	35.8	Very low	151 Å²	151	126.7 Å²	126.7	81%	0.807	71%	0.707	S	S	*	*			trans	-69.7	112.1	175	-76.1	-49.4	0	0	0	111.5
385	D	36.9	Very low	35.8	Very low	156 Å²	156	126 Å²	126	83%	0.834	72%	0.719	S	S	*	*			trans	-101.1	87.8	169.4	-159.3	-10.8	0	0	0	109.9	F383 S387	F383-D385 PolarHBondContact O-N 3.49Å; D385-S387 VanDerWaalsContact C-N 3.32Å; D385-S387 PolarHBondContact O-N 2.93Å
386	S	32.2	Very low	35.6	Very low	115 Å²	115	129.3 Å²	129.3	80%	0.804	73%	0.734	S	S	*	*			trans	-79.8	62.6	-168.5	-71.3	0	0	0	0	114.1
387	S	37.3	Very low	35.7	Very low	106 Å²	106	133.8 Å²	133.8	74%	0.741	76%	0.762	S	S	*	*			trans	-156.8	86.5	175.4	-177.8	0	0	0	0	116.6	D385	D385-S387 VanDerWaalsContact C-N 3.32Å; D385-S387 PolarHBondContact O-N 2.93Å
388	A	37.8	Very low	35.6	Very low	102 Å²	102	132.9 Å²	132.9	84%	0.843	77%	0.77	S	S	*	*			trans	177.7	150	140.3	0	0	0	0	0	110.8
389	K	36.2	Very low	35.7	Very low	201 Å²	201	134.7 Å²	134.7	87%	0.874	79%	0.791	S	S	*	*			trans	-119.4	168	178.4	-67.1	179.3	177.9	177.9	0	111.5
390	T	34.8	Very low	35.9	Very low	123 Å²	123	134.2 Å²	134.2	76%	0.755	79%	0.79	S	S	*	*			trans	110.7	77.9	143.4	-48.9	0	0	0	0	118.5
391	S	38.5	Very low	35.9	Very low	94 Å²	94	137.8 Å²	137.8	66%	0.657	80%	0.795	S	S	*	*				70.9	155	122.6	73.1	0	0	0	0	124.2
392	Q	38.9	Very low	35.6	Very low	176 Å²	176	135.9 Å²	135.9	82%	0.822	79%	0.787	S	S	*	*			trans	79.3	109	163.8	-70.2	172.2	-4.1	0	0	115.3
393	S	38	Very low	35.6	Very low	93 Å²	93	135.6 Å²	135.6	65%	0.65	79%	0.788	S	S	*	*				88.8	132.4	59.4	73.2	0	0	0	0	111.4
394	D	37.7	Very low	35.4	Very low	151 Å²	151	136.2 Å²	136.2	81%	0.807	79%	0.786	S	S	*	*			cis	-149.9	-169.1	12.7	-86.4	-47.1	0	0	0	111.8
395	S	39.2	Very low	35.4	Very low	117 Å²	117	134.9 Å²	134.9	82%	0.818	78%	0.783	S	S	*	*			trans	101.6	108.9	158.4	70.9	0	0	0	0	120.4
396	E	35.7	Very low	35.1	Very low	179 Å²	179	134.9 Å²	134.9	84%	0.836	78%	0.783	S	S	*	*			trans	-35.7	143.3	166.5	-52.1	168.5	118	0	0	118.2
397	L	39.4	Very low	35	Very low	175 Å²	175	139 Å²	139	92%	0.916	78%	0.782	S	S	*	*				178.8	130.4	106	-105.3	147.1	0	0	0	114.8
398	G	32	Very low	34.7	Very low	68 Å²	68	143.3 Å²	143.3	70%	0.701	79%	0.788	S	S	*	*			trans	81.9	117.2	139.1	0	0	0	0	0	121.3
399	S	35.5	Very low	34.6	Very low	129 Å²	129	144 Å²	144	90%	0.902	78%	0.783	S	S	*	*			trans	69.8	145.4	153.6	-164.4	0	0	0	0	119
400	S	34.9	Very low	34.3	Very low	103 Å²	103	143.5 Å²	143.5	72%	0.72	78%	0.784	S	S	*	*			cis	-167.4	131.8	-32.4	-175.7	0	0	0	0	108.7
401	Y	32.5	Very low	34.4	Very low	216 Å²	216	149.6 Å²	149.6	85%	0.847	79%	0.793	S	S	*	*			trans	53	119.1	157.6	-150	-104.1	0	0	0	121.3
402	S	29.3	Very low	34.1	Very low	85 Å²	85	149.2 Å²	149.2	59%	0.594	79%	0.791	S	S	*	*			trans	-87.6	151.7	173.3	169.6	0	0	0	0	112.8
403	S	33.5	Very low	33.9	Very low	102 Å²	102	149.5 Å²	149.5	71%	0.713	79%	0.79	S	S	*	*			trans	-152.5	103.9	141.4	59.3	0	0	0	0	112.8
404	Y	28.4	Very low	33.8	Very low	218 Å²	218	150 Å²	150	86%	0.855	80%	0.799	S	S	*	*			trans	-71.1	141.8	156.4	-88.6	-104.6	0	0	0	109.7
405	V	35.3	Very low	33.6	Very low	124 Å²	124	151.2 Å²	151.2	75%	0.752	80%	0.797	S	S	*	*			trans	-134.2	113.5	166.7	-173.4	0	0	0	0	110.2
406	N	29.6	Very low	33.5	Very low	156 Å²	156	155.1 Å²	155.1	83%	0.834	80%	0.802	S	S	*	*			trans	-71.8	131	167.7	-87.9	-79.9	0	0	0	109.7
407	Y	31.1	Very low	33.2	Very low	202 Å²	202	153.2 Å²	153.2	79%	0.792	80%	0.798	S	S	*	*			trans	-106.9	101	176.9	-155.5	-93.8	0	0	0	112	P409	Y407-P409 HydrophobicContact CE1-CB 4.44Å
408	K	30.7	Very low	33.1	Very low	196 Å²	196	152.1 Å²	152.1	85%	0.852	80%	0.798	S	S	*	*			trans	-92.5	120.8	162.7	-82	-176.1	174.6	178.9	0	108.8	Q410	K408-Q410 PolarHBondContact O-N 3.42Å
409	P	34.7	Very low	33.2	Very low	115 Å²	115	152.8 Å²	152.8	75%	0.747	80%	0.797	S	S	*	*			trans	-75.1	113.1	174	29.6	-32.3	0	0	0	110.3	Y407	Y407-P409 HydrophobicContact CE1-CB 4.44Å
410	Q	30.7	Very low	33.2	Very low	192 Å²	192	154.2 Å²	154.2	90%	0.897	79%	0.793	S	S	*	*			trans	-109.9	128.7	171.4	-137.9	-179.2	4.5	0	0	109.4	K408	K408-Q410 PolarHBondContact O-N 3.42Å
411	R	36.7	Very low	33.2	Very low	251 Å²	251	155 Å²	155	95%	0.947	80%	0.795	S	S	*	*			trans	-101.5	126.9	167.8	-98.4	-173.7	173.9	-179.1	-0.9	109.7
412	S	32.5	Very low	33.2	Very low	86 Å²	86	149.7 Å²	149.7	60%	0.601	79%	0.79	S	S	*	*			trans	-94.5	171.8	165.4	58.2	0	0	0	0	109.7
413	F	34	Very low	33.6	Very low	182 Å²	182	151.4 Å²	151.4	80%	0.798	80%	0.799	S	S	*	*			cis	-140.8	149	7.2	-85.9	-81.1	0	0	0	111.2
414	A	36.5	Very low	33.6	Very low	102 Å²	102	155.2 Å²	155.2	84%	0.843	81%	0.806	S	S	*	*			trans	-156.8	148.6	135.7	0	0	0	0	0	107.8
415	K	33.2	Very low	33.7	Very low	178 Å²	178	150.5 Å²	150.5	77%	0.774	80%	0.8	S	S	*	*			trans	-119.6	136.7	-178.4	-72.6	179.1	177.2	176.8	0	110.9
416	E	36.6	Very low	33.6	Very low	198 Å²	198	151.7 Å²	151.7	93%	0.925	81%	0.807	S	S	*	*			trans	-149.1	147.1	139.2	-163.1	150.4	-140.1	0	0	108.6
417	N	31.3	Very low	33.6	Very low	140 Å²	140	148.9 Å²	148.9	75%	0.749	80%	0.8	S	S	*	*			trans	-122.9	130.7	-166.3	-68.2	-24.1	0	0	0	112
418	V	36.2	Very low	33.6	Very low	151 Å²	151	144.8 Å²	144.8	92%	0.915	80%	0.801	S	S	*	*			trans	-142.6	140.3	151.3	-167.5	0	0	0	0	108.7
419	A	33.3	Very low	33.7	Very low	83 Å²	83	141.4 Å²	141.4	69%	0.686	80%	0.797	S	S	*	*			trans	-90.9	-172.2	176.3	0	0	0	0	0	110.2
420	I	36.3	Very low	33.4	Very low	159 Å²	159	144.9 Å²	144.9	82%	0.815	80%	0.801	S	S	*	*			cis	-147.1	-159	29.8	-24.2	-179.3	0	0	0	110.2
421	P	35.3	Very low	33.5	Very low	118 Å²	118	143.8 Å²	143.8	77%	0.766	80%	0.799	S	S	*	*				-115.8	176.3	-121.8	43.9	-28.9	0	0	0	117.6
422	S	32.6	Very low	33.1	Very low	105 Å²	105	136.1 Å²	136.1	73%	0.734	79%	0.789	S	S	*	*			trans	-78.9	-179	159.4	-34.1	0	0	0	0	110.9
423	P	37.1	Very low	33.1	Very low	121 Å²	121	137.3 Å²	137.3	79%	0.786	80%	0.798	S	S	*	*			cis	-118.6	-142.7	47.4	21.1	4.8	0	0	0	111.5
424	E	34.7	Very low	33.1	Very low	182 Å²	182	134.6 Å²	134.6	85%	0.85	80%	0.796	S	S	*	*			cis	-138.9	-145.6	11.3	-73.1	-168.3	77.8	0	0	113
425	T	29	Very low	32.7	Very low	120 Å²	120	135 Å²	135	74%	0.736	79%	0.791	S	S	*	*			trans	-146.8	147.7	-167.5	-60.8	0	0	0	0	111.7
426	T	33.9	Very low	32.8	Very low	148 Å²	148	134.9 Å²	134.9	91%	0.908	79%	0.793	S	S	*	*			trans	-165.7	172.1	151.3	3	0	0	0	0	112
427	S	29.4	Very low	32.6	Very low	97 Å²	97	131.4 Å²	131.4	68%	0.678	79%	0.786	S	S	*	*			trans	-145.5	163.6	-157.7	-49.3	0	0	0	0	115
428	S	30.6	Very low	32.5	Very low	116 Å²	116	132.4 Å²	132.4	81%	0.811	79%	0.79	S	S	*	*			trans	68.2	160.1	168.8	64.9	0	0	0	0	115.9
429	T	33.2	Very low	32.4	Very low	125 Å²	125	130.1 Å²	130.1	77%	0.767	78%	0.779	S	S	*	*			cis	-149.2	164.7	27.9	-53.3	0	0	0	0	113.7
430	F	27.8	Very low	32.4	Very low	189 Å²	189	136 Å²	136	83%	0.829	79%	0.789	S	S	*	*			trans	-61.1	156.2	173	-68	-108.3	0	0	0	115.6
431	I	33.9	Very low	32	Very low	169 Å²	169	133.9 Å²	133.9	87%	0.867	79%	0.788	S	S	*	*			trans	-136.8	142.3	136.8	-59.8	-176.3	0	0	0	108.4
432	A	27.5	Very low	32	Very low	89 Å²	89	138.4 Å²	138.4	74%	0.736	80%	0.796	S	S	*	*			trans	-148	146.1	173.7	0	0	0	0	0	111.6
433	S	33.7	Very low	31.8	Very low	112 Å²	112	142.9 Å²	142.9	78%	0.783	80%	0.802	S	S	*	*			trans	-158.8	151.8	176	-59.5	0	0	0	0	110.5
434	T	33.8	Very low	31.8	Very low	124 Å²	124	142.5 Å²	142.5	76%	0.761	80%	0.8	S	S	*	*			cis	-157.6	151.9	-29.8	-70.3	0	0	0	0	106.9
435	C	27.3	Very low	31.8	Very low	110 Å²	110	139.5 Å²	139.5	74%	0.743	80%	0.799	S	S	*	*			trans	-94	160.4	-173.3	-44.9	0	0	0	0	114.6
436	H	35.2	Very low	32	Very low	176 Å²	176	143 Å²	143	82%	0.815	81%	0.807	S	S	*	*			trans	-147.5	93.2	155.6	-85.8	-60.3	0	0	0	115.5
437	T	31.6	Very low	32.1	Very low	126 Å²	126	139.5 Å²	139.5	77%	0.773	80%	0.8	S	S	*	*			trans	39.7	118.2	134.6	51.1	0	0	0	0	124.6
438	L	30.3	Very low	32.1	Very low	160 Å²	160	142.1 Å²	142.1	84%	0.838	81%	0.806	S	S	*	*			trans	-42.6	164.9	144.3	-88.2	163.7	0	0	0	115.4
439	P	34.6	Very low	32.3	Very low	104 Å²	104	144.9 Å²	144.9	68%	0.675	81%	0.81	S	S	*	*				-166.4	169.1	66.7	45.2	-22.4	0	0	0	123.9
440	K	32.7	Very low	32.3	Very low	206 Å²	206	150.2 Å²	150.2	90%	0.896	82%	0.816	S	S	*	*			trans	79.3	161.4	143	-80.5	162.2	-174.8	175.1	0	121.6
441	S	28.1	Very low	32.9	Very low	115 Å²	115	146.6 Å²	146.6	80%	0.804	81%	0.811	S	S	*	*			trans	-138.6	163.9	-162	59.7	0	0	0	0	113.9
442	K	34.3	Very low	32.9	Very low	212 Å²	212	143.4 Å²	143.4	92%	0.922	80%	0.802	S	S	*	*			trans	-163.3	162.7	158.3	-111.3	169	-175.8	-177.5	0	112.5
443	K	28.6	Very low	32.9	Very low	199 Å²	199	145.9 Å²	145.9	87%	0.865	80%	0.803	S	S	*	*			trans	-136.2	178.2	-179.7	-105.7	-172.9	178.3	-178.1	0	107.5
444	P	36.9	Very low	32.6	Very low	113 Å²	113	146.4 Å²	146.4	73%	0.734	80%	0.801	S	S	*	*			cis	-134	-177.1	-36.4	40.2	-24.9	0	0	0	112.2
445	S	35.1	Very low	32.4	Very low	120 Å²	120	147.8 Å²	147.8	84%	0.839	80%	0.802	S	S	*	*			trans	169.5	161.5	131.4	57.3	0	0	0	0	115.2
446	H	34.3	Very low	32.3	Very low	193 Å²	193	147.7 Å²	147.7	89%	0.894	80%	0.798	S	S	*	*			trans	-37.2	150.6	-176.1	-83.6	-101	0	0	0	121.4
447	G	34.6	Very low	31.7	Very low	74 Å²	74	145.1 Å²	145.1	76%	0.763	80%	0.8	S	S	*	*			trans	166.1	120.9	157.8	0	0	0	0	0	112.5
448	D	30.1	Very low	31.3	Very low	153 Å²	153	145.6 Å²	145.6	82%	0.818	80%	0.798	S	S	*	*			trans	-77.6	146.4	-174.1	-65.2	-86.9	0	0	0	115.2
449	I	35.5	Very low	31.1	Very low	174 Å²	174	147.6 Å²	147.6	89%	0.892	80%	0.8	S	S	*	*				-178.4	161.9	129.2	-92.6	156.2	0	0	0	109.7
450	R	32.9	Very low	30.5	Very low	237 Å²	237	151.6 Å²	151.6	89%	0.894	81%	0.807	S	S	*	*			trans	-81.3	160.8	-164.3	-89.8	-171.4	174.9	-164.2	-0.9	116.3
451	P	40.1	Very low	30.1	Very low	112 Å²	112	148.9 Å²	148.9	73%	0.727	80%	0.795	S	S	*	*			trans	-100.8	-172.6	-166.4	45.2	-39.8	0	0	0	112.9
452	P	34.6	Very low	29.9	Very low	102 Å²	102	149.8 Å²	149.8	66%	0.662	80%	0.796	S	S	*	*				-146.5	-179.4	82.3	43.9	-27.5	0	0	0	116.5
453	D	27.2	Very low	29.4	Very low	141 Å²	141	145 Å²	145	75%	0.754	79%	0.785	S	S	*	*			trans	75.3	132.5	149.5	-58.3	-29.5	0	0	0	124.7
454	T	27.1	Very low	29.3	Very low	123 Å²	123	140.7 Å²	140.7	76%	0.755	78%	0.778	S	S	*	*			trans	67.9	119.3	154.7	-20.1	0	0	0	0	120.3
455	I	28.6	Very low	28.8	Very low	153 Å²	153	143 Å²	143	79%	0.785	78%	0.784	S	S	*	*				-177.7	119.2	107.2	-90.1	162.7	0	0	0	112
456	V	25.1	Very low	28.7	Very low	109 Å²	109	140.8 Å²	140.8	66%	0.661	77%	0.773	S	S	*	*			trans	29.6	129.6	145.7	-168.7	0	0	0	0	120.8
457	S	23.7	Very low	28.6	Very low	122 Å²	122	137.6 Å²	137.6	85%	0.853	76%	0.759	S	S	*	*			trans	-141.3	134.1	135.9	-71.3	0	0	0	0	109.2
458	D	23.9	Very low	28.5	Very low	136 Å²	136	136.9 Å²	136.9	73%	0.727	74%	0.74	S	S	*	*			trans	-51.9	149.5	-163.4	-53.1	-71.1	0	0	0	117.4
459	F	24.5	Very low	28.8	Very low	201 Å²	201	138 Å²	138	88%	0.882	73%	0.733	S	S	*	*				-158.6	139.4	122	-94.5	-62.4	0	0	0	111.6
460	K	22	Very low	28.8	Very low	188 Å²	188	131.9 Å²	131.9	82%	0.817	71%	0.706	S	S	*	*			trans	-85	135.3	176.9	-71.2	179.9	177.3	177.8	0	111.5
461	F	24.5	Very low	29	Very low	149 Å²	149	123.4 Å²	123.4	65%	0.654	68%	0.676	S	S	*	*			trans	-134.5	136.8	155.5	-82.4	-77.6	0	0	0	111.3
462	V	24.2	Very low	29	Very low	135 Å²	135	118.2 Å²	118.2	82%	0.818	64%	0.642	S	S	*	*			trans	-102	130.5	172.1	176.4	0	0	0	0	108.1
463	T	24.9	Very low	29.2	Very low	112 Å²	112	115.2 Å²	115.2	69%	0.687	62%	0.619	S	S	*	*			trans	-132.4	129.3	174.4	58.8	0	0	0	0	109.8
464	C	26.8	Very low	29.8	Very low	107 Å²	107	109.1 Å²	109.1	72%	0.723	59%	0.586	S	S	*	*			trans	-114	128.1	170.2	43.8	0	0	0	0	111.5
465	D	25.6	Very low	30	Very low	162 Å²	162	106.7 Å²	106.7	87%	0.866	56%	0.564	S	S	*	*			trans	59.8	65.2	144.6	-48.9	-36.7	0	0	0	119.9
466	A	32.8	Very low	30.1	Very low	73 Å²	73	101.2 Å²	101.2	60%	0.603	54%	0.536	S	S	*	.			trans	-100.9	118.4	137.9	0	0	0	0	0	109.5
467	H	31.4	Very low	30.5	Very low	127 Å²	127	98.6 Å²	98.6	59%	0.588	52%	0.521	S	S	*	.			trans	-70.9	139.9	178.2	-170.7	84.7	0	0	0	110.6	R469	H467-R469 PolarHBondContact NE2-NH1 2.83Å; H467-R469 PolarHBondContact O-N 2.86Å
468	P	32.8	Very low	30.8	Very low	58 Å²	58	96.2 Å²	96.2	38%	0.377	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	1.2	-165.7	-24.9	35.4	0	0	0	118.3
469	R	37.9	Very low	31.1	Very low	177 Å²	177	98.6 Å²	98.6	67%	0.668	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	7.6	-169	-72.1	-178.3	150.1	96.6	-3.8	115.6	H467 E471	H467-R469 PolarHBondContact NE2-NH1 2.83Å; H467-R469 PolarHBondContact O-N 2.86Å; R469-E471 PolarHBondContact O-N 3.12Å
470	S	34.6	Very low	31.5	Very low	46 Å²	46	97.4 Å²	97.4	32%	0.322	51%	0.505	S	S	.	.			trans	-92.7	38.1	-167.5	63.2	0	0	0	0	116.3	M472	S470-M472 PolarHBondContact O-N 3.47Å; S470-M472 VanDerWaalsContact O-N 3.15Å
471	E	37.8	Very low	32	Very low	58 Å²	58	96.7 Å²	96.7	27%	0.271	51%	0.509	S	S	.	.			trans	-80.7	86.8	171.2	-72.1	-159.8	135.7	0	0	112.1	R469 F473 L516	R469-E471 PolarHBondContact O-N 3.12Å; E471-F473 HydrophobicContact CB-CD2 4.39Å; E471-F473 HydrophobicContact CB-CE2 3.83Å; E471-F473 HydrophobicContact CB-CZ 4.17Å; E471-F473 WeakPolarHBondContact O-CD2 3.44Å; E471-F473 PolarHBondContact O-N 3.08Å; E471-F473 VanDerWaalsContact OE2-CZ 3.31Å; E471-F473 WeakPolarHBondContact OE2-CZ 3.45Å; E471-L516 VanDerWaalsContact CD-CD1 3.43Å; E471-L516 HydrophobicContact CG-CD1 3.76Å; E471-L516 HydrophobicContact CG-CG 4.48Å
472	M	39.6	Very low	32.2	Very low	3 Å²	3	101 Å²	101	2%	0.015	52%	0.521	C	S	.	.			trans	-75.1	105.2	165.6	-174	-179.7	79	0	0	109.9	W261 V264 L267 H311 S470 I474	W261-M472 HydrophobicContact CE3-CE 4.36Å; W261-M472 HydrophobicContact CE3-SD 3.9Å; W261-M472 HydrophobicContact CZ3-CE 4.14Å; W261-M472 HydrophobicContact CZ3-SD 3.96Å; V264-M472 HydrophobicContact CB-SD 4.1Å; V264-M472 HydrophobicContact CG1-CG 4.18Å; V264-M472 HydrophobicContact CG1-SD 3.57Å; V264-M472 VanDerWaalsContact CG1-SD 3.57Å; V264-M472 WeakPolarHBondContact O-CB 3.36Å; V264-M472 VanDerWaalsContact O-CG 3.3Å; V264-M472 WeakPolarHBondContact O-CG 3.34Å; L267-M472 HydrophobicContact CD1-CE 4.12Å; L267-M472 HydrophobicContact CD1-SD 4.07Å; L267-M472 HydrophobicContact CG-CE 4.38Å; L267-M472 HydrophobicContact CG-SD 3.9Å; H311-M472 HydrophobicContact CB-CE 3.57Å; H311-M472 WeakPolarHBondContact NE2-CB 3.44Å; S470-M472 PolarHBondContact O-N 3.47Å; S470-M472 VanDerWaalsContact O-N 3.15Å; M472-I474 HydrophobicContact CE-CD1 3.71Å; M472-I474 HydrophobicContact CE-CG1 3.83Å
473	F	39	Very low	32.4	Very low	40 Å²	40	98 Å²	98	18%	0.175	52%	0.518	C	S	.	.	B	Isolated β-bridge	trans	-76.2	126.6	178.2	-73.9	-80.9	0	0	0	111.7	R265 K266 E471 Y475	R265-F473 PolarHBondContact O-N 3.47Å; K266-F473 VanDerWaalsContact CA-O 3.28Å; K266-F473 WeakPolarHBondContact CA-O 3.24Å; K266-F473 VanDerWaalsContact CB-O 3.27Å; K266-F473 WeakPolarHBondContact CB-O 3.39Å; K266-F473 VanDerWaalsContact CG-O 3.25Å; K266-F473 WeakPolarHBondContact CG-O 3.38Å; E471-F473 HydrophobicContact CB-CD2 4.39Å; E471-F473 HydrophobicContact CB-CE2 3.83Å; E471-F473 HydrophobicContact CB-CZ 4.17Å; E471-F473 WeakPolarHBondContact O-CD2 3.44Å; E471-F473 PolarHBondContact O-N 3.08Å; E471-F473 VanDerWaalsContact OE2-CZ 3.31Å; E471-F473 WeakPolarHBondContact OE2-CZ 3.45Å; F473-Y475 HydrophobicContact CB-CD2 3.97Å; F473-Y475 HydrophobicContact CB-CE2 3.76Å; F473-Y475 AromaticContact CD1-CE2 3.59Å; F473-Y475 HydrophobicContact CD1-CE2 3.59Å; F473-Y475 HydrophobicContact CG-CE2 4.02Å
474	I	38.6	Very low	32.7	Very low	13 Å²	13	102.4 Å²	102.4	7%	0.067	53%	0.531	C	S	.	.			trans	-113	99.5	-177.5	-55.2	171.3	0	0	0	108.4	W304 V308 M472 Y509	W304-I474 HydrophobicContact CH2-CG2 4.49Å; W304-I474 HydrophobicContact CZ2-CG2 3.7Å; V308-I474 HydrophobicContact CB-CD1 4.47Å; V308-I474 HydrophobicContact CG1-CD1 4.07Å; V308-I474 HydrophobicContact CG2-CD1 4.18Å; V308-I474 HydrophobicContact CG2-CG2 3.89Å; M472-I474 HydrophobicContact CE-CD1 3.71Å; M472-I474 HydrophobicContact CE-CG1 3.83Å; I474-Y509 WeakPolarHBondContact O-CB 3.46Å
475	Y	31.9	Very low	32.8	Very low	72 Å²	72	105.1 Å²	105.1	28%	0.282	54%	0.538	S	S	.	.			trans	-135.4	139	176	-57.4	-80	0	0	0	110.1	K266 F473 Y509	K266-Y475 WeakPolarHBondContact CE-O 3.23Å; F473-Y475 HydrophobicContact CB-CD2 3.97Å; F473-Y475 HydrophobicContact CB-CE2 3.76Å; F473-Y475 AromaticContact CD1-CE2 3.59Å; F473-Y475 HydrophobicContact CD1-CE2 3.59Å; F473-Y475 HydrophobicContact CG-CE2 4.02Å; Y475-Y509 WeakPolarHBondContact CD1-O 3.37Å; Y475-Y509 WeakPolarHBondContact CE1-O 3.11Å
476	D	31.3	Very low	33.3	Very low	37 Å²	37	105.5 Å²	105.5	20%	0.198	54%	0.54	C	S	.	.			trans	-64.5	158.1	164.4	-162.6	-13.7	0	0	0	110	G333 C334	G333-D476 VanDerWaalsContact CA-OD2 3.25Å; G333-D476 WeakPolarHBondContact CA-OD2 3.5Å; C334-D476 PolarHBondContact N-OD2 3.22Å
477	T	33.8	Very low	33.1	Very low	55 Å²	55	104.9 Å²	104.9	34%	0.337	54%	0.54	S	S	.	.			trans	-115.8	94.5	-173.4	51.6	0	0	0	0	111.7	C268	C268-T477 HydrophobicContact CB-CG2 4.34Å
478	T	28.1	Very low	33.2	Very low	72 Å²	72	106.6 Å²	106.6	44%	0.442	55%	0.554	S	S	.	*	S	Bend	trans	-111	122.2	162.3	50.5	0	0	0	0	108.9
479	E	31.1	Very low	33.1	Very low	185 Å²	185	113.7 Å²	113.7	86%	0.864	57%	0.573	S	S	*	*	S	Bend	trans	56.4	83.5	172.1	-53.1	-152.7	121.7	0	0	117.3
480	E	32.9	Very low	32.7	Very low	176 Å²	176	111 Å²	111	82%	0.822	58%	0.576	S	S	*	*			trans	-148.1	28.7	163.6	-146.9	169.7	-130.6	0	0	111.8
481	L	33.4	Very low	32.6	Very low	174 Å²	174	117.9 Å²	117.9	91%	0.911	60%	0.6	S	S	*	*	S	Bend	trans	-131.8	57.6	174.3	-80.7	174.4	0	0	0	109.6
482	R	28.3	Very low	32.2	Very low	238 Å²	238	121 Å²	121	90%	0.898	62%	0.623	S	S	*	*	S	Bend	trans	-154.8	85.9	176.5	-163.4	177.6	-166.6	-134.2	-0.4	111.4
483	G	27.8	Very low	31.7	Very low	74 Å²	74	132.3 Å²	132.3	76%	0.763	67%	0.666	S	S	*	*			trans	120.3	63.5	164.7	0	0	0	0	0	116.9
484	E	31.3	Very low	31.4	Very low	204 Å²	204	135.8 Å²	135.8	95%	0.953	69%	0.692	S	S	*	*				-131.4	135.5	127.8	-108.2	-178.2	134.7	0	0	107.2
485	N	29.2	Very low	30.9	Very low	164 Å²	164	141.9 Å²	141.9	88%	0.877	73%	0.731	S	S	*	*			trans	-130.1	83.5	-161.4	-179.5	78.2	0	0	0	109.9
486	D	35.1	Very low	31	Very low	170 Å²	170	147.1 Å²	147.1	91%	0.909	76%	0.758	S	S	*	*			trans	-126.2	142.8	169.6	-149	-16.3	0	0	0	110.6
487	G	29.3	Very low	31	Very low	59 Å²	59	150.1 Å²	150.1	61%	0.608	78%	0.781	S	S	*	*			trans	-101.6	116.3	-145.3	0	0	0	0	0	115.7
488	N	33.4	Very low	30.7	Very low	163 Å²	163	153.2 Å²	153.2	87%	0.872	80%	0.802	S	S	*	*			trans	-160	143.5	130.7	-119.5	-61.8	0	0	0	117.9
489	R	31.4	Very low	30.9	Very low	207 Å²	207	158.1 Å²	158.1	78%	0.781	82%	0.82	S	S	*	*			trans	59.4	90.6	153.2	-154.1	172.3	-163.4	172.1	6.9	119.9
490	V	29.2	Very low	30.9	Very low	120 Å²	120	157 Å²	157	73%	0.727	82%	0.821	S	S	*	*			trans	-48.3	139.2	159	176.8	0	0	0	0	113.2	T492	V490-T492 HydrophobicContact CG1-CG2 3.94Å
491	K	32.8	Very low	30.6	Very low	192 Å²	192	157.2 Å²	157.2	84%	0.835	82%	0.821	S	S	*	*			trans	-130.7	134.6	142.4	-78.8	-167.7	176.3	-176.5	0	109.1
492	T	28.7	Very low	30.4	Very low	122 Å²	122	156.9 Å²	156.9	75%	0.748	82%	0.815	S	S	*	*			trans	-88	152.1	-172.4	41.2	0	0	0	0	112.8	V490	V490-T492 HydrophobicContact CG1-CG2 3.94Å
493	W	30.2	Very low	30.3	Very low	242 Å²	242	151.5 Å²	151.5	92%	0.917	80%	0.804	S	S	*	*			trans	-119	141.8	156.5	-73.2	97.8	0	0	0	108.1
494	P	31.8	Very low	30.3	Very low	112 Å²	112	154.3 Å²	154.3	73%	0.727	80%	0.8	S	S	*	*			trans	-75.2	148.9	-173	30.4	-35.1	0	0	0	112.7
495	T	28.5	Very low	30.2	Very low	142 Å²	142	147.8 Å²	147.8	87%	0.871	78%	0.777	S	S	*	*			trans	-63.7	132.7	177.6	-44.4	0	0	0	0	111.7
496	Q	33.1	Very low	30.3	Very low	182 Å²	182	142.9 Å²	142.9	85%	0.85	75%	0.749	S	S	*	*			trans	-122.1	161.5	163	-74.8	-171.1	-27.6	0	0	110.4
497	S	31.2	Very low	29.9	Very low	99 Å²	99	135 Å²	135	69%	0.692	71%	0.708	S	S	*	*			trans	-73.8	150.3	-155	41.7	0	0	0	0	115.8	Q499	S497-Q499 PolarHBondContact O-N 3.29Å; S497-Q499 VanDerWaalsContact O-N 3.12Å
498	P	29	Very low	29.7	Very low	120 Å²	120	135.4 Å²	135.4	78%	0.779	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	84.6	179.2	33.8	-35.1	0	0	0	112.2
499	Q	31.1	Very low	29.5	Very low	175 Å²	175	128.6 Å²	128.6	82%	0.818	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.1	-17.7	167.2	-85.6	-174.2	-36.2	0	0	115.7	S497 Q501	S497-Q499 PolarHBondContact O-N 3.29Å; S497-Q499 VanDerWaalsContact O-N 3.12Å; Q499-Q501 VanDerWaalsContact C-N 3.27Å; Q499-Q501 PolarHBondContact O-N 3.14Å; Q499-Q501 VanDerWaalsContact O-N 3.09Å
500	D	31.6	Very low	29.3	Very low	163 Å²	163	123.8 Å²	123.8	87%	0.872	65%	0.65	S	S	*	*			trans	-85	46.3	177	-80	-32.8	0	0	0	113.8	E502	D500-E502 PolarHBondContact O-N 2.87Å
501	Q	26.5	Very low	29.3	Very low	179 Å²	179	120.3 Å²	120.3	84%	0.836	63%	0.627	S	S	*	*			trans	-98.2	44.5	-170.6	-155.7	177.2	-4	0	0	114.9	Q499	Q499-Q501 VanDerWaalsContact C-N 3.27Å; Q499-Q501 PolarHBondContact O-N 3.14Å; Q499-Q501 VanDerWaalsContact O-N 3.09Å
502	E	28.3	Very low	29.2	Very low	167 Å²	167	113.5 Å²	113.5	78%	0.78	60%	0.604	S	S	*	*			trans	-148.2	166	175.1	-126	172.1	-146.1	0	0	115.3	D500	D500-E502 PolarHBondContact O-N 2.87Å
503	N	27.7	Very low	29.5	Very low	126 Å²	126	114.1 Å²	114.1	67%	0.674	60%	0.598	S	S	*	*			trans	65.9	57.2	171.9	-66.1	-66.9	0	0	0	118.3	R297	R297-N503 PolarHBondContact NH1-O 3.38Å; R297-N503 PolarHBondContact NH2-O 3.46Å
504	I	28	Very low	29.9	Very low	132 Å²	132	107.7 Å²	107.7	68%	0.677	59%	0.586	S	S	*	*			trans	-92	100	164	-42.4	-178.1	0	0	0	110.9	Q506	I504-Q506 HydrophobicContact CG2-CG 3.96Å
505	S	29.1	Very low	30.3	Very low	68 Å²	68	107.9 Å²	107.9	48%	0.476	58%	0.577	S	S	.	*			trans	-75.8	120.1	177.3	172.1	0	0	0	0	112.2
506	Q	29.4	Very low	30.7	Very low	60 Å²	60	104 Å²	104	28%	0.28	55%	0.551	S	S	.	*			trans	-142.1	130.8	-172.8	-62.9	174	-12.8	0	0	110	A331 K332 I504	A331-Q506 VanDerWaalsContact O-O 3.08Å; K332-Q506 HydrophobicContact CB-CB 4.01Å; K332-Q506 HydrophobicContact CG-CB 4.43Å; I504-Q506 HydrophobicContact CG2-CG 3.96Å
507	G	27.9	Very low	31.1	Very low	4 Å²	4	101.5 Å²	101.5	4%	0.041	54%	0.542	C	S	.	.			trans	-152.6	111.4	157	0	0	0	0	0	116.4	A331 G333 C334 S335	A331-G507 WeakPolarHBondContact O-CA 3.31Å; G333-G507 CarbonylContact C-O 3.49Å; G333-G507 CarbonylContact O-C 3.58Å; C334-G507 CarbonylContact C-O 3.13Å; C334-G507 VanDerWaalsContact CA-N 3.3Å; S335-G507 WeakPolarHBondContact CA-O 3.19Å; S335-G507 WeakPolarHBondContact CB-O 3.35Å; S335-G507 PolarHBondContact N-O 2.9Å
508	S	25.3	Very low	31.5	Very low	69 Å²	69	99.6 Å²	99.6	48%	0.483	53%	0.532	S	S	.	.			trans	-59.7	165.3	-158.2	-164.8	0	0	0	0	120	G333	G333-S508 VanDerWaalsContact N-N 3.1Å; G333-S508 VanDerWaalsContact O-CA 3.25Å; G333-S508 WeakPolarHBondContact O-CA 3.49Å; G333-S508 PolarHBondContact O-N 3.17Å
509	Y	28.9	Very low	31.9	Very low	19 Å²	19	99.2 Å²	99.2	8%	0.075	52%	0.52	C	S	.	.			trans	-109.4	140.4	172.8	-96.2	-85.9	0	0	0	113.9	C334 S335 F336 R337 I474 Y475	C334-Y509 VanDerWaalsContact O-CE2 3.26Å; C334-Y509 WeakPolarHBondContact O-CE2 3.45Å; S335-Y509 VanDerWaalsContact C-OH 3.27Å; F336-Y509 PolarHBondContact N-OH 2.77Å; F336-Y509 PolarHBondContact O-OH 3Å; R337-Y509 HydrophobicContact CG-CE1 3.76Å; R337-Y509 WeakPolarHBondContact CG-OH 3.23Å; R337-Y509 PolarHBondContact N-OH 3.26Å; R337-Y509 VanDerWaalsContact NH2-CD1 3.34Å; I474-Y509 WeakPolarHBondContact O-CB 3.46Å; Y475-Y509 WeakPolarHBondContact CD1-O 3.37Å; Y475-Y509 WeakPolarHBondContact CE1-O 3.11Å
510	H	26.5	Very low	32.4	Very low	107 Å²	107	94.2 Å²	94.2	50%	0.495	50%	0.497	S	S	.	.			trans	-116.5	131.8	149.4	-88.6	-73.6	0	0	0	109.2	R326 R337	R326-H510 PolarHBondContact NH1-CD2 2.63Å; R326-H510 PolarHBondContact NH1-NE2 2.81Å; R337-H510 PolarHBondContact NH1-O 2.92Å; R337-H510 PolarHBondContact NH2-O 3.09Å
511	L	29.8	Very low	32.8	Very low	47 Å²	47	88.8 Å²	88.8	25%	0.246	47%	0.474	C	S	.	.			trans	-110.3	138.5	138.9	-67.4	169.6	0	0	0	104.8
512	S	31.7	Very low	33.5	Very low	48 Å²	48	85.3 Å²	85.3	34%	0.336	46%	0.462	S	S	.	.			trans	-103.6	109.8	-172.2	28.9	0	0	0	0	111.2	T514 E515	S512-T514 PolarHBondContact O-N 3.2Å; S512-E515 PolarHBondContact O-N 2.95Å
513	E	34.5	Very low	34	Very low	136 Å²	136	84.1 Å²	84.1	64%	0.636	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	1.4	174	-164.3	170.1	-161.4	0	0	114.5
514	T	37.6	Very low	34.7	Very low	107 Å²	107	86 Å²	86	66%	0.656	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-16.2	-176.2	-15.1	0	0	0	0	113.4	S512	S512-T514 PolarHBondContact O-N 3.2Å
515	E	40.2	Very low	35.4	Very low	115 Å²	115	85.4 Å²	85.4	54%	0.537	45%	0.446	S	S	.	.	S	Bend	trans	-87.7	-26.6	-178.5	-68.8	172.6	143.8	0	0	112.6	S512 A518	S512-E515 PolarHBondContact O-N 2.95Å; E515-A518 PolarHBondContact O-N 3.43Å
516	L	37.9	Very low	36	Very low	62 Å²	62	88 Å²	88	33%	0.325	46%	0.455	S	S	.	.	H	α-helix	trans	-63.7	-40.1	171.4	-94.6	-171.3	0	0	0	112.6	E471 A518 Q519 E520	E471-L516 VanDerWaalsContact CD-CD1 3.43Å; E471-L516 HydrophobicContact CG-CD1 3.76Å; E471-L516 HydrophobicContact CG-CG 4.48Å; L516-A518 PolarHBondContact O-N 2.97Å; L516-Q519 PolarHBondContact O-N 3.34Å; L516-Q519 VanDerWaalsContact O-N 3.14Å; L516-E520 WeakPolarHBondContact O-CB 3.18Å; L516-E520 PolarHBondContact O-N 3.24Å
517	L	41.7	Very low	36.3	Very low	128 Å²	128	93.1 Å²	93.1	67%	0.67	48%	0.481	S	S	*	.	H	α-helix	trans	-64.6	-21.5	-178.7	-68.9	173.1	0	0	0	113.1
518	A	38.9	Very low	36.7	Very low	59 Å²	59	97.7 Å²	97.7	49%	0.488	51%	0.512	S	S	.	.	H	α-helix	trans	-74.3	-47.8	171.3	0	0	0	0	0	111.7	E515 L516 E520 A521 D522	E515-A518 PolarHBondContact O-N 3.43Å; L516-A518 PolarHBondContact O-N 2.97Å; A518-E520 PolarHBondContact O-N 3.24Å; A518-A521 WeakPolarHBondContact O-CB 3.41Å; A518-A521 PolarHBondContact O-N 2.93Å; A518-A521 VanDerWaalsContact O-N 3.07Å; A518-D522 PolarHBondContact O-N 2.81Å
519	Q	37.8	Very low	37.1	Very low	112 Å²	112	100 Å²	100	52%	0.523	52%	0.523	S	S	.	.	H	α-helix	trans	-65.3	-28.6	178.9	-63.3	-173.7	3.3	0	0	112.9	L516 A521 R523	L516-Q519 PolarHBondContact O-N 3.34Å; L516-Q519 VanDerWaalsContact O-N 3.14Å; Q519-A521 VanDerWaalsContact C-N 3.32Å; Q519-R523 PolarHBondContact O-N 3.03Å
520	E	40.9	Very low	37.3	Very low	71 Å²	71	104 Å²	104	33%	0.332	55%	0.554	S	S	.	*	H	α-helix	trans	-72.3	-23.6	175.4	-168.7	64.1	-160.4	0	0	112.7	L516 A518 R524	L516-E520 WeakPolarHBondContact O-CB 3.18Å; L516-E520 PolarHBondContact O-N 3.24Å; A518-E520 PolarHBondContact O-N 3.24Å; E520-R524 IonicContact OE1-CZ 3.81Å; E520-R524 IonicContact OE1-NE 2.91Å; E520-R524 IonicContact OE1-NH2 3.27Å; E520-R524 PolarHBondContact OE1-NH2 2.64Å
521	A	40.7	Very low	37.6	Very low	48 Å²	48	103.3 Å²	103.3	40%	0.397	57%	0.567	S	S	.	*	H	α-helix	trans	-78.8	-49.1	177.2	0	0	0	0	0	112.1	A518 Q519 R523 R524 N525	A518-A521 WeakPolarHBondContact O-CB 3.41Å; A518-A521 PolarHBondContact O-N 2.93Å; A518-A521 VanDerWaalsContact O-N 3.07Å; Q519-A521 VanDerWaalsContact C-N 3.32Å; A521-R523 PolarHBondContact O-N 3.47Å; A521-R524 PolarHBondContact O-N 2.83Å; A521-N525 PolarHBondContact O-N 3.42Å
522	D	40.6	Very low	37.8	Very low	107 Å²	107	108.8 Å²	108.8	57%	0.572	60%	0.596	S	S	*	*	H	α-helix	trans	-61.8	-29.1	178.3	-72.6	-26.7	0	0	0	112.7	A518 R524 N526	A518-D522 PolarHBondContact O-N 2.81Å; D522-R524 VanDerWaalsContact C-N 3.31Å; D522-R524 PolarHBondContact O-N 3.03Å; D522-N526 PolarHBondContact O-N 3.3Å; D522-N526 PolarHBondContact O-ND2 3.15Å
523	R	38.5	Very low	37.9	Very low	141 Å²	141	111.3 Å²	111.3	53%	0.532	61%	0.614	S	S	.	*	H	α-helix	trans	-64.2	-30	172.4	-94.8	-172.8	159.8	122.8	-0.8	113.8	Q519 A521 M527	Q519-R523 PolarHBondContact O-N 3.03Å; A521-R523 PolarHBondContact O-N 3.47Å; R523-M527 WeakPolarHBondContact O-CG 3.29Å
524	R	42	Very low	37.8	Very low	166 Å²	166	109.5 Å²	109.5	63%	0.626	62%	0.622	S	S	*	*	H	α-helix	trans	-86.7	-32.8	-177.8	-66.2	175.2	-168.4	163.7	4.6	112.3	E520 A521 D522	E520-R524 IonicContact OE1-CZ 3.81Å; E520-R524 IonicContact OE1-NE 2.91Å; E520-R524 IonicContact OE1-NH2 3.27Å; E520-R524 PolarHBondContact OE1-NH2 2.64Å; A521-R524 PolarHBondContact O-N 2.83Å; D522-R524 VanDerWaalsContact C-N 3.31Å; D522-R524 PolarHBondContact O-N 3.03Å
525	N	42.9	Very low	37.5	Very low	120 Å²	120	111.4 Å²	111.4	64%	0.642	63%	0.634	S	S	*	*	H	α-helix	trans	-76.1	-20.9	-178.9	-68.4	-14.9	0	0	0	113.8	A521	A521-N525 PolarHBondContact O-N 3.42Å
526	N	41.5	Very low	37	Very low	123 Å²	123	110 Å²	110	66%	0.658	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	2.2	179.4	-74.8	-58.6	0	0	0	115.1	D522	D522-N526 PolarHBondContact O-N 3.3Å; D522-N526 PolarHBondContact O-ND2 3.15Å
527	M	35.9	Very low	36.7	Very low	167 Å²	167	115.1 Å²	115.1	82%	0.823	67%	0.668	S	S	*	*	S	Bend	trans	-89.9	1.2	-176.2	-79.5	-175	70.5	0	0	115.2	R523	R523-M527 WeakPolarHBondContact O-CG 3.29Å
528	S	36.2	Very low	35.9	Very low	100 Å²	100	112.5 Å²	112.5	70%	0.699	67%	0.672	S	S	*	*	S	Bend	trans	-101.5	-7.2	-173.2	52.5	0	0	0	0	115.7
529	T	35.1	Very low	35.6	Very low	117 Å²	117	118.7 Å²	118.7	72%	0.718	69%	0.693	S	S	*	*	S	Bend	trans	-140.3	50.4	-167.2	60.4	0	0	0	0	115.1
530	S	32.4	Very low	35.2	Very low	104 Å²	104	116.7 Å²	116.7	73%	0.727	70%	0.702	S	S	*	*			trans	-160	69.8	169.6	-179.8	0	0	0	0	114.1
531	A	33.8	Very low	34.6	Very low	92 Å²	92	119.1 Å²	119.1	76%	0.76	72%	0.724	S	S	*	*	S	Bend	trans	-93.6	-34.8	169.9	0	0	0	0	0	113.4
532	D	33.1	Very low	33.9	Very low	161 Å²	161	123.8 Å²	123.8	86%	0.861	74%	0.742	S	S	*	*	S	Bend	trans	-111.3	13	-158.8	-55.9	-70.3	0	0	0	116.1
533	S	33.8	Very low	33.3	Very low	101 Å²	101	125 Å²	125	71%	0.706	75%	0.753	S	S	*	*			trans	-106.3	3.3	-166.8	-168	0	0	0	0	116.8	V535	S533-V535 PolarHBondContact O-N 2.93Å
534	A	32	Very low	32.7	Very low	99 Å²	99	123.6 Å²	123.6	82%	0.818	76%	0.76	S	S	*	*			trans	-96.6	20	-164.5	0	0	0	0	0	116.1
535	V	31.6	Very low	32.1	Very low	147 Å²	147	125.1 Å²	125.1	89%	0.891	77%	0.772	S	S	*	*			trans	-111.3	60	-176.3	-166.8	0	0	0	0	111.9	S533	S533-V535 PolarHBondContact O-N 2.93Å
536	A	28.8	Very low	31.5	Very low	84 Å²	84	126.4 Å²	126.4	69%	0.694	78%	0.778	S	S	*	*	S	Bend	trans	-159.8	158.6	168.8	0	0	0	0	0	112
537	L	32.6	Very low	30.9	Very low	171 Å²	171	131.1 Å²	131.1	90%	0.895	79%	0.787	S	S	*	*			trans	65	78.6	172.4	-50.1	-178	0	0	0	115.8
538	G	24.9	Very low	30.6	Very low	72 Å²	72	129.5 Å²	129.5	74%	0.742	79%	0.786	S	S	*	*			trans	-87.1	144.3	175.2	0	0	0	0	0	114.9
539	M	32.5	Very low	30.1	Very low	190 Å²	190	134.3 Å²	134.3	94%	0.936	79%	0.789	S	S	*	*			trans	-132.5	146	155.1	-88.9	-74.8	107	0	0	108
540	G	29.3	Very low	30	Very low	70 Å²	70	134.4 Å²	134.4	72%	0.722	79%	0.791	S	S	*	*			trans	-76.2	164.6	-156.5	0	0	0	0	0	117.6
541	P	27.9	Very low	29.9	Very low	121 Å²	121	137.7 Å²	137.7	79%	0.786	79%	0.793	S	S	*	*			trans	-92.2	165.5	-171.5	37.2	-37.3	0	0	0	115.6
542	L	26.3	Very low	29.8	Very low	147 Å²	147	138 Å²	138	77%	0.77	79%	0.79	S	S	*	*			trans	9.9	124.8	161.3	-69.9	90.3	0	0	0	120	T544	L542-T544 HydrophobicContact CB-CG2 4.31Å; L542-T544 HydrophobicContact CD2-CG2 4.16Å; L542-T544 PolarHBondContact O-N 2.87Å
543	V	27.7	Very low	29.7	Very low	132 Å²	132	136 Å²	136	80%	0.8	78%	0.783	S	S	*	*			trans	-84.5	97.1	152.4	-178.6	0	0	0	0	109.6	F545	V543-F545 HydrophobicContact CG1-CD2 4.25Å; V543-F545 HydrophobicContact CG1-CE2 4.15Å
544	T	26.8	Very low	29.6	Very low	111 Å²	111	139.5 Å²	139.5	68%	0.681	79%	0.788	S	S	*	*			trans	-84.7	117.5	167.9	49.3	0	0	0	0	110.5	L542 D546	L542-T544 HydrophobicContact CB-CG2 4.31Å; L542-T544 HydrophobicContact CD2-CG2 4.16Å; L542-T544 PolarHBondContact O-N 2.87Å; T544-D546 PolarHBondContact O-N 3.14Å
545	F	29.9	Very low	29.6	Very low	199 Å²	199	139.8 Å²	139.8	87%	0.873	78%	0.784	S	S	*	*			trans	-77.1	108.2	170.4	-97.9	-81.5	0	0	0	111.1	V543	V543-F545 HydrophobicContact CG1-CD2 4.25Å; V543-F545 HydrophobicContact CG1-CE2 4.15Å
546	D	30	Very low	29.5	Very low	147 Å²	147	140.5 Å²	140.5	79%	0.786	78%	0.782	S	S	*	*			trans	-71.3	155	178.5	-152.4	-21.6	0	0	0	112	T544	T544-D546 PolarHBondContact O-N 3.14Å
547	R	27.2	Very low	29.7	Very low	221 Å²	221	146.5 Å²	146.5	83%	0.834	79%	0.793	S	S	*	*			trans	-127.1	60.2	-163.9	-160.4	-176.6	-173.6	177.3	4	112.9	R549	R547-R549 PolarHBondContact O-N 3.5Å
548	V	30.6	Very low	29.6	Very low	134 Å²	134	144.7 Å²	144.7	81%	0.812	79%	0.789	S	S	*	*			trans	-61	128.2	175.4	-176.7	0	0	0	0	111
549	R	26	Very low	29.9	Very low	201 Å²	201	153 Å²	153	76%	0.758	80%	0.798	S	S	*	*			trans	-129.9	114.5	178.4	174	-155.6	-84.7	175.3	-9	109.8	R547	R547-R549 PolarHBondContact O-N 3.5Å
550	P	33.2	Very low	29.8	Very low	118 Å²	118	148.5 Å²	148.5	77%	0.766	79%	0.785	S	S	*	*			trans	-73.4	147.4	165	-14.5	30.3	0	0	0	112.1
551	K	30.3	Very low	30	Very low	174 Å²	174	152 Å²	152	76%	0.757	79%	0.792	S	S	*	*			trans	-119	156.5	157.8	-67.4	179.6	174.4	178.9	0	107.7
552	S	31.2	Very low	30.1	Very low	99 Å²	99	152 Å²	152	69%	0.692	79%	0.786	S	S	*	*			trans	44.1	134.5	143.5	58.3	0	0	0	0	120.3
553	T	30.9	Very low	30.3	Very low	119 Å²	119	154.6 Å²	154.6	73%	0.73	79%	0.791	S	S	*	*			cis	-167.6	171.9	8.2	3.6	0	0	0	0	111.3
554	E	31.4	Very low	30.7	Very low	174 Å²	174	152.6 Å²	152.6	81%	0.813	79%	0.788	S	S	*	*			trans	76.7	141.1	146.2	-80.6	174	137.8	0	0	124.7
555	S	32.2	Very low	30.8	Very low	104 Å²	104	155.1 Å²	155.1	73%	0.727	79%	0.792	S	S	*	*			trans	80.4	89.9	149	70.2	0	0	0	0	121.5
556	L	30.4	Very low	31.4	Very low	163 Å²	163	151.8 Å²	151.8	85%	0.853	79%	0.791	S	S	*	*				35.1	112.2	117.1	-63.7	164.7	0	0	0	119.2
557	K	32.9	Very low	31.5	Very low	209 Å²	209	150.9 Å²	150.9	91%	0.909	79%	0.791	S	S	*	*				-163	145.9	101.4	-109.1	164.7	-176	171.2	0	115.2
558	T	29.4	Very low	31.7	Very low	134 Å²	134	145.1 Å²	145.1	82%	0.822	79%	0.791	S	S	*	*			trans	-72.6	145.5	176.1	47.9	0	0	0	0	113.5
559	R	31.9	Very low	31.9	Very low	245 Å²	245	144 Å²	144	93%	0.925	79%	0.789	S	S	*	*				-154	142.8	129.4	-161.3	165.6	179.9	169.5	-1.4	111
560	S	29.3	Very low	32.2	Very low	96 Å²	96	140.9 Å²	140.9	67%	0.671	79%	0.792	S	S	*	*			trans	-119.3	154	-176.7	43.3	0	0	0	0	112.1
561	V	34.2	Very low	32.2	Very low	144 Å²	144	142.1 Å²	142.1	87%	0.873	80%	0.797	S	S	*	*			trans	-144.3	154.2	162	-167	0	0	0	0	107.6
562	N	30.6	Very low	32.2	Very low	122 Å²	122	139 Å²	139	65%	0.652	80%	0.795	S	S	*	*			trans	-113.9	-171.2	-159.3	-60.4	-20.2	0	0	0	114.5
563	F	31.1	Very low	32.4	Very low	200 Å²	200	140 Å²	140	88%	0.877	80%	0.803	S	S	*	*			trans	88.4	135.5	165.3	-62.3	-78.2	0	0	0	116.9
564	A	34.1	Very low	32.5	Very low	90 Å²	90	144 Å²	144	74%	0.744	81%	0.81	S	S	*	*			cis	-153	162.7	-6.5	0	0	0	0	0	112.3
565	E	30	Very low	32.7	Very low	164 Å²	164	140.8 Å²	140.8	77%	0.766	81%	0.813	S	S	*	*			trans	-81.6	170.6	165.2	-63	-174.3	132.9	0	0	112
566	P	41.7	Very low	32.8	Very low	129 Å²	129	140.4 Å²	140.4	84%	0.838	82%	0.817	S	S	*	*				-131.1	151.6	122.9	37.4	-30.7	0	0	0	114.3
567	T	33.5	Very low	33.9	Very low	128 Å²	128	138.3 Å²	138.3	79%	0.785	81%	0.813	S	S	*	*			trans	-101.9	-179.3	177.4	47.1	0	0	0	0	112.5
568	A	30.6	Very low	34.6	Very low	101 Å²	101	134.1 Å²	134.1	84%	0.835	81%	0.807	S	S	*	*			trans	-112.9	155.2	-154.2	0	0	0	0	0	117.4
569	S	35.1	Very low	35.1	Very low	110 Å²	110	132.9 Å²	132.9	77%	0.769	80%	0.803	S	S	*	*			trans	-149.7	129.6	153	49.7	0	0	0	0	107.3
570	V	31.2	Very low	35.3	Very low	136 Å²	136	127 Å²	127	82%	0.824	80%	0.8	S	S	*	*				77.2	105.1	51.6	179.2	0	0	0	0	113.6
571	V	34	Very low	35.8	Very low	143 Å²	143	128.1 Å²	128.1	87%	0.867	81%	0.808	S	S	*	*				-171.1	159	129.9	144.8	0	0	0	0	108.5
572	C	29.8	Very low	35.6	Very low	108 Å²	108	129.5 Å²	129.5	73%	0.73	81%	0.805	S	S	*	*			trans	-142	148.2	-166.8	169.7	0	0	0	0	112.4
573	S	36.6	Very low	35.8	Very low	122 Å²	122	131.7 Å²	131.7	85%	0.853	82%	0.816	S	S	*	*			trans	-153.2	144.7	157.9	40	0	0	0	0	112.8
574	K	32.5	Very low	35.6	Very low	202 Å²	202	128.6 Å²	128.6	88%	0.878	81%	0.808	S	S	*	*			trans	-96.2	157.5	-167.6	-62	168	173.5	174.4	0	113.8
575	A	34.9	Very low	35.4	Very low	106 Å²	106	130.4 Å²	130.4	88%	0.876	81%	0.81	S	S	*	*			trans	-147	160.6	136.3	0	0	0	0	0	108.9
576	A	35.7	Very low	35.3	Very low	97 Å²	97	129.7 Å²	129.7	80%	0.802	81%	0.809	S	S	*	*			trans	-138	148.9	-164.2	0	0	0	0	0	115.7
577	P	53.5	Low	34.7	Very low	119 Å²	119	129.4 Å²	129.4	77%	0.773	81%	0.805	S	S	*	*			trans	-92	173.6	168.4	40.2	-36.6	0	0	0	112.2
578	P	47.7	Very low	34.4	Very low	120 Å²	120	126.9 Å²	126.9	78%	0.779	80%	0.797	S	S	*	*				-153.1	162.8	102.4	40	-24.1	0	0	0	116.3
579	S	38.2	Very low	34.2	Very low	108 Å²	108	132 Å²	132	76%	0.755	80%	0.801	S	S	*	*				166.5	129.7	126	46	0	0	0	0	115.5
580	S	36.9	Very low	33.9	Very low	122 Å²	122	134.7 Å²	134.7	85%	0.853	80%	0.801	S	S	*	*			trans	61.5	149.4	159.8	64.1	0	0	0	0	118.9
581	S	39.3	Very low	33.9	Very low	119 Å²	119	137.1 Å²	137.1	83%	0.832	80%	0.801	S	S	*	*			cis	-138.9	151.1	-4.7	56.8	0	0	0	0	111
582	E	29.9	Very low	33.9	Very low	173 Å²	173	136.4 Å²	136.4	81%	0.808	80%	0.799	S	S	*	*			trans	-101.6	144.1	-169	-169.7	164.9	-141.1	0	0	112.5
583	L	35.5	Very low	34	Very low	169 Å²	169	138.1 Å²	138.1	89%	0.885	80%	0.8	S	S	*	*			trans	-149.7	106.5	170.8	-106.3	175.4	0	0	0	110.2	V585	L583-V585 PolarHBondContact O-N 3.06Å
584	D	27.4	Very low	33.8	Very low	134 Å²	134	137.2 Å²	137.2	72%	0.717	79%	0.79	S	S	*	*			trans	-65.5	126	-179.5	-82.3	-60.1	0	0	0	113.1
585	V	30	Very low	33.9	Very low	128 Å²	128	133 Å²	133	78%	0.776	78%	0.784	S	S	*	*			trans	-109.3	92.5	163.2	-178.1	0	0	0	0	108.5	L583 V587	L583-V585 PolarHBondContact O-N 3.06Å; V585-V587 PolarHBondContact O-N 2.87Å
586	I	27.2	Very low	33.9	Very low	149 Å²	149	133.9 Å²	133.9	76%	0.764	78%	0.781	S	S	*	*			trans	-67	97.7	178.9	-58	174.1	0	0	0	109.5	A588	I586-A588 PolarHBondContact O-N 2.95Å
587	V	29.8	Very low	33.8	Very low	124 Å²	124	138.3 Å²	138.3	75%	0.752	78%	0.782	S	S	*	*			trans	-75.2	76.8	174.9	-173.7	0	0	0	0	110	V585 K589	V585-V587 PolarHBondContact O-N 2.87Å; V587-K589 PolarHBondContact O-N 3.09Å; V587-K589 VanDerWaalsContact O-N 3.08Å
588	A	27	Very low	33	Very low	75 Å²	75	138.1 Å²	138.1	62%	0.62	78%	0.781	S	S	*	*			trans	-63.7	107.6	174.2	0	0	0	0	0	110.4	I586 Q590	I586-A588 PolarHBondContact O-N 2.95Å; A588-Q590 VanDerWaalsContact C-N 3.31Å; A588-Q590 PolarHBondContact O-N 3.28Å
589	K	26.4	Very low	32.2	Very low	207 Å²	207	142.4 Å²	142.4	90%	0.9	79%	0.787	S	S	*	*			trans	-65.5	83.4	176.2	-71.5	176.6	178.7	169.2	0	110.9	V587 K591	V587-K589 PolarHBondContact O-N 3.09Å; V587-K589 VanDerWaalsContact O-N 3.08Å; K589-K591 PolarHBondContact O-N 3.12Å
590	Q	28.8	Very low	32	Very low	168 Å²	168	144.4 Å²	144.4	79%	0.785	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-62.1	122.4	173.3	-77.5	-169.7	-10.9	0	0	110.5	A588	A588-Q590 VanDerWaalsContact C-N 3.31Å; A588-Q590 PolarHBondContact O-N 3.28Å
591	K	30.7	Very low	31.6	Very low	187 Å²	187	142.3 Å²	142.3	81%	0.813	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-59.8	144.5	166.2	-109.6	174.8	177.5	172.2	0	109.2	K589 I593	K589-K591 PolarHBondContact O-N 3.12Å; K591-I593 PolarHBondContact O-N 2.82Å
592	P	34	Very low	31.1	Very low	128 Å²	128	144.8 Å²	144.8	83%	0.831	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-57.2	116.4	173.3	-23.6	33.8	0	0	0	110.7
593	I	32.2	Very low	31	Very low	144 Å²	144	141.1 Å²	141.1	74%	0.738	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-75.1	122.4	173.7	-59	175.8	0	0	0	106.9	K591	K591-I593 PolarHBondContact O-N 2.82Å
594	P	32.9	Very low	30.6	Very low	102 Å²	102	139.8 Å²	139.8	66%	0.662	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-66.3	148.1	176.2	28.7	-34.4	0	0	0	110.1
595	P	34.9	Very low	30.7	Very low	114 Å²	114	142 Å²	142	74%	0.74	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-57.9	142.8	179.5	24.7	-34.4	0	0	0	110.9	K597	P595-K597 PolarHBondContact O-N 2.81Å
596	P	33.6	Very low	30.5	Very low	125 Å²	125	145.4 Å²	145.4	81%	0.812	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-62.5	121.5	-176.8	25.3	-33.7	0	0	0	110.3
597	K	34	Very low	30.5	Very low	189 Å²	189	144.2 Å²	144.2	82%	0.822	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-64.8	126.2	169.8	-66.8	-175.4	178.9	-176.7	0	108.3	P595 K599	P595-K597 PolarHBondContact O-N 2.81Å; K597-K599 PolarHBondContact O-N 2.79Å
598	P	36.6	Very low	30.5	Very low	116 Å²	116	142.9 Å²	142.9	75%	0.753	80%	0.798	S	S	*	*			trans	-63.9	112.3	178.3	24.8	-33.1	0	0	0	110	L600	P598-L600 VanDerWaalsContact C-N 3.33Å; P598-L600 PolarHBondContact O-N 2.86Å
599	K	31.9	Very low	30.5	Very low	209 Å²	209	145.3 Å²	145.3	91%	0.909	81%	0.808	S	S	*	*			trans	-76.5	84.5	173.7	-75.2	-174.3	176.4	-179.8	0	109.3	K597 G601	K597-K599 PolarHBondContact O-N 2.79Å; K599-G601 PolarHBondContact O-N 3.37Å
600	L	33.3	Very low	30.6	Very low	150 Å²	150	141.9 Å²	141.9	79%	0.785	80%	0.804	S	S	*	*			trans	-60.6	108.4	172.7	-85.6	164.4	0	0	0	110.7	P598 L602	P598-L600 VanDerWaalsContact C-N 3.33Å; P598-L600 PolarHBondContact O-N 2.86Å; L600-L602 VanDerWaalsContact C-N 3.28Å; L600-L602 PolarHBondContact O-N 2.92Å
601	G	28.3	Very low	30.7	Very low	78 Å²	78	136.9 Å²	136.9	80%	0.804	80%	0.797	S	S	*	*			trans	-71	79.2	172.9	0	0	0	0	0	111.5	K599 S603	K599-G601 PolarHBondContact O-N 3.37Å; G601-S603 PolarHBondContact O-N 3.25Å; G601-S603 VanDerWaalsContact O-N 3.1Å
602	L	28.2	Very low	30.7	Very low	172 Å²	172	132.9 Å²	132.9	90%	0.901	79%	0.791	S	S	*	*			trans	-64.5	105.1	178.9	-83.8	161.2	0	0	0	111.8	L600	L600-L602 VanDerWaalsContact C-N 3.28Å; L600-L602 PolarHBondContact O-N 2.92Å
603	S	28.2	Very low	30.4	Very low	95 Å²	95	133.4 Å²	133.4	66%	0.664	79%	0.786	S	S	*	*			trans	-149.2	134.4	153.5	64.5	0	0	0	0	111.5	G601	G601-S603 PolarHBondContact O-N 3.25Å; G601-S603 VanDerWaalsContact O-N 3.1Å
604	N	26.8	Very low	30.7	Very low	142 Å²	142	135.2 Å²	135.2	76%	0.759	78%	0.783	S	S	*	*	S	Bend	trans	64.5	73.9	163.8	-51.8	-46.4	0	0	0	118.5
605	L	30.4	Very low	31.3	Very low	181 Å²	181	136.5 Å²	136.5	95%	0.948	78%	0.783	S	S	*	*				-163	151	120.6	-103.3	150.2	0	0	0	110.5
606	K	26.3	Very low	31.7	Very low	199 Å²	199	134.6 Å²	134.6	87%	0.865	77%	0.772	S	S	*	*			trans	-117.4	158.2	-176.2	-78.7	-176.4	175.2	179.6	0	111.2
607	S	27.2	Very low	32.5	Very low	123 Å²	123	133.9 Å²	133.9	86%	0.86	76%	0.761	S	S	*	*			trans	84.4	157	164.4	80.2	0	0	0	0	118.5
608	A	28.2	Very low	33.1	Very low	96 Å²	96	126.9 Å²	126.9	79%	0.793	73%	0.733	S	S	*	*			trans	67.7	122.2	-173	0	0	0	0	0	116.7
609	P	27.5	Very low	33.9	Very low	127 Å²	127	126.6 Å²	126.6	83%	0.825	73%	0.731	S	S	*	*			trans	-109.1	104.7	-175.2	37.2	-28.4	0	0	0	114.4
610	V	29.1	Very low	34.6	Very low	134 Å²	134	123 Å²	123	81%	0.812	71%	0.712	S	S	*	*			trans	-135.7	91.7	160.7	-173.4	0	0	0	0	108.8
611	G	30.2	Very low	35.3	Very low	63 Å²	63	120.1 Å²	120.1	65%	0.649	69%	0.691	S	S	*	*			trans	-89.7	156.4	176.8	0	0	0	0	0	112.5
612	P	30.5	Very low	36.4	Very low	103 Å²	103	118.1 Å²	118.1	67%	0.669	67%	0.667	S	S	*	*			trans	-67.4	142.4	177.7	28.4	-34.5	0	0	0	111.7	R614	P612-R614 PolarHBondContact O-N 3.19Å
613	L	29.1	Very low	37.6	Very low	140 Å²	140	113.5 Å²	113.5	73%	0.733	65%	0.645	S	S	*	*			trans	-57.3	108.5	174.8	-97.4	149.8	0	0	0	110.9	I615 I717	L613-I615 PolarHBondContact O-N 3.15Å; L613-I717 HydrophobicContact CD2-CD1 4.45Å
614	R	38.4	Very low	38.8	Very low	181 Å²	181	113.6 Å²	113.6	68%	0.683	64%	0.642	S	S	*	*			trans	-79.8	110.8	170.1	-66.4	-171.8	179.6	-175.4	6.8	108.9	P612 C616 D617	P612-R614 PolarHBondContact O-N 3.19Å; R614-C616 VanDerWaalsContact C-N 3.27Å; R614-C616 PolarHBondContact O-N 3.23Å; R614-D617 VanDerWaalsContact CD-CG 3.49Å; R614-D617 VanDerWaalsContact CD-OD1 3.23Å; R614-D617 WeakPolarHBondContact CD-OD1 3.36Å; R614-D617 WeakPolarHBondContact CD-OD2 3.49Å; R614-D617 IonicContact CZ-OD1 2.79Å; R614-D617 IonicContact NE-OD1 2.82Å; R614-D617 IonicContact NH1-OD1 3.05Å; R614-D617 PolarHBondContact NH1-OD1 3Å; R614-D617 IonicContact NH1-OD2 3.65Å
615	I	45.8	Very low	39.5	Very low	130 Å²	130	113.2 Å²	113.2	67%	0.667	63%	0.634	S	S	*	*	S	Bend	trans	-72.5	-23.3	-175	-61.8	174.6	0	0	0	111.7	L613 L637	L613-I615 PolarHBondContact O-N 3.15Å; I615-L637 HydrophobicContact CG2-CD1 4.34Å
616	C	43.2	Very low	40.3	Very low	73 Å²	73	111 Å²	111	49%	0.493	62%	0.618	S	S	.	*			trans	-158.3	136.9	164.9	-164	0	0	0	0	109.3	R614	R614-C616 VanDerWaalsContact C-N 3.27Å; R614-C616 PolarHBondContact O-N 3.23Å
617	D	49.2	Very low	41.1	Very low	110 Å²	110	107.4 Å²	107.4	59%	0.588	60%	0.602	S	S	*	*			trans	-105.3	-0.5	171.5	-96.2	-51.1	0	0	0	112.7	R614 P619	R614-D617 VanDerWaalsContact CD-CG 3.49Å; R614-D617 VanDerWaalsContact CD-OD1 3.23Å; R614-D617 WeakPolarHBondContact CD-OD1 3.36Å; R614-D617 WeakPolarHBondContact CD-OD2 3.49Å; R614-D617 IonicContact CZ-OD1 2.79Å; R614-D617 IonicContact NE-OD1 2.82Å; R614-D617 IonicContact NH1-OD1 3.05Å; R614-D617 PolarHBondContact NH1-OD1 3Å; R614-D617 IonicContact NH1-OD2 3.65Å; D617-P619 WeakPolarHBondContact O-CD 3.47Å
618	D	47.8	Very low	41.9	Very low	43 Å²	43	106.2 Å²	106.2	23%	0.23	59%	0.59	C	S	.	*			trans	-80.3	117.6	-177.8	-173.7	-18	0	0	0	111.2	R620 Y621	D618-R620 PolarHBondContact O-N 3.36Å; D618-R620 WeakPolarHBondContact OD1-CB 3.39Å; D618-R620 VanDerWaalsContact OD1-CG 3.23Å; D618-R620 WeakPolarHBondContact OD1-CG 3.43Å; D618-R620 PolarHBondContact OD1-N 3.44Å; D618-R620 IonicContact OD1-NE 2.67Å; D618-R620 PolarHBondContact OD1-NE 2.97Å; D618-R620 VanDerWaalsContact OD1-NE 3.09Å; D618-R620 IonicContact OD2-CZ 2.89Å; D618-R620 IonicContact OD2-NE 2.68Å; D618-R620 PolarHBondContact OD2-NE 2.96Å; D618-R620 IonicContact OD2-NH2 3.83Å; D618-R620 PolarHBondContact OD2-NH2 3.32Å; D618-Y621 HydrophobicContact CB-CD2 4.07Å; D618-Y621 PolarHBondContact O-N 3.43Å; D618-Y621 VanDerWaalsContact O-N 3.14Å
619	P	52.4	Low	42.4	Very low	110 Å²	110	105.9 Å²	105.9	71%	0.714	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-8.7	-179.9	29.4	-36.7	0	0	0	114.1	D617 Y621	D617-P619 WeakPolarHBondContact O-CD 3.47Å; P619-Y621 VanDerWaalsContact C-N 3.27Å; P619-Y621 PolarHBondContact O-N 3.1Å
620	R	46.5	Very low	43	Very low	132 Å²	132	107.7 Å²	107.7	50%	0.498	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.2	-7.7	173.2	-59.7	177.2	-65.8	175.5	2	113.4	D618 E641 L642 V644	D618-R620 PolarHBondContact O-N 3.36Å; D618-R620 WeakPolarHBondContact OD1-CB 3.39Å; D618-R620 VanDerWaalsContact OD1-CG 3.23Å; D618-R620 WeakPolarHBondContact OD1-CG 3.43Å; D618-R620 PolarHBondContact OD1-N 3.44Å; D618-R620 IonicContact OD1-NE 2.67Å; D618-R620 PolarHBondContact OD1-NE 2.97Å; D618-R620 VanDerWaalsContact OD1-NE 3.09Å; D618-R620 IonicContact OD2-CZ 2.89Å; D618-R620 IonicContact OD2-NE 2.68Å; D618-R620 PolarHBondContact OD2-NE 2.96Å; D618-R620 IonicContact OD2-NH2 3.83Å; D618-R620 PolarHBondContact OD2-NH2 3.32Å; R620-E641 CarbonylContact O-C 3.54Å; R620-E641 WeakPolarHBondContact O-CA 3.41Å; R620-L642 PolarHBondContact O-N 3.26Å; R620-V644 HydrophobicContact CG-CG2 4.46Å
621	Y	48.5	Very low	43.6	Very low	91 Å²	91	104 Å²	104	36%	0.357	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.7	146.5	-174	-63.8	-74.1	0	0	0	114.1	D618 P619 V639 R640 E641	D618-Y621 HydrophobicContact CB-CD2 4.07Å; D618-Y621 PolarHBondContact O-N 3.43Å; D618-Y621 VanDerWaalsContact O-N 3.14Å; P619-Y621 VanDerWaalsContact C-N 3.27Å; P619-Y621 PolarHBondContact O-N 3.1Å; Y621-V639 HydrophobicContact CD1-CG1 3.93Å; Y621-V639 HydrophobicContact CG-CG1 4.21Å; Y621-R640 WeakPolarHBondContact CA-O 3.45Å; Y621-E641 HydrophobicContact CD1-CB 4.24Å; Y621-E641 HydrophobicContact CE1-CB 3.96Å; Y621-E641 HydrophobicContact CE1-CG 4.04Å
622	A	51.4	Low	43.8	Very low	35 Å²	35	108.8 Å²	108.8	29%	0.289	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.5	135.9	173.3	0	0	0	0	0	111.4	V624 V639 R640 L642	A622-V624 PolarHBondContact O-N 3.37Å; A622-V639 WeakPolarHBondContact O-CA 3.43Å; A622-R640 PolarHBondContact N-O 3.21Å; A622-R640 PolarHBondContact O-N 3.48Å; A622-L642 HydrophobicContact CB-CD1 4.12Å; A622-L642 HydrophobicContact CB-CD2 4.29Å; A622-L642 HydrophobicContact CB-CG 4.26Å
623	V	53.9	Low	44.1	Very low	75 Å²	75	109.9 Å²	109.9	46%	0.455	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.3	117.2	169	-178.7	0	0	0	0	108.4	L637	V623-L637 HydrophobicContact CG1-CD2 3.97Å; V623-L637 HydrophobicContact CG2-CD2 4.48Å
624	V	52.4	Low	44.3	Very low	98 Å²	98	105.7 Å²	105.7	59%	0.594	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.8	-28.4	-176.9	-175.1	0	0	0	0	111.7	A622 H638 R640	A622-V624 PolarHBondContact O-N 3.37Å; V624-H638 PolarHBondContact N-O 2.89Å; V624-R640 HydrophobicContact CG2-CB 3.41Å; V624-R640 VanDerWaalsContact CG2-CB 3.41Å; V624-R640 HydrophobicContact CG2-CG 4.46Å
625	K	41.9	Very low	44.4	Very low	134 Å²	134	104.2 Å²	104.2	58%	0.583	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-158.8	134.4	178.7	-165.8	167	-172.3	168.3	0	110.5	H638	K625-H638 HydrophobicContact CB-CB 4.14Å; K625-H638 PolarHBondContact O-N 3.39Å
626	H	47.7	Very low	44.3	Very low	135 Å²	135	101 Å²	101	63%	0.625	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	156.6	156.8	88.5	-156.9	0	0	0	109.8
627	K	42.2	Very low	44.2	Very low	122 Å²	122	99.4 Å²	99.4	53%	0.53	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	118.4	157.4	-167.9	-177.6	-177.8	-169.1	0	108.7	L629 I636	K627-L629 HydrophobicContact CD-CD2 4.36Å; K627-I636 PolarHBondContact N-O 3.31Å
628	V	43.6	Very low	44.1	Very low	98 Å²	98	97.4 Å²	97.4	59%	0.594	51%	0.509	S	S	*	.			trans	-90.4	142	163.3	178.4	0	0	0	0	107.6
629	L	38.8	Very low	44.1	Very low	89 Å²	89	97.7 Å²	97.7	47%	0.466	51%	0.512	S	S	.	.			trans	-116.3	146.5	166.5	-65.9	168.8	0	0	0	106.3	K627	K627-L629 HydrophobicContact CD-CD2 4.36Å
630	D	40.6	Very low	44	Very low	166 Å²	166	100 Å²	100	89%	0.888	51%	0.507	S	S	*	.	S	Bend	trans	-75.4	131.4	168.2	-72.9	-43.3	0	0	0	108.4
631	G	42.4	Very low	44.5	Very low	55 Å²	55	99 Å²	99	57%	0.567	51%	0.507	S	S	*	.	S	Bend	trans	112.2	164.3	-176	0	0	0	0	0	114.2	I633	G631-I633 PolarHBondContact O-N 2.99Å
632	D	33.1	Very low	44.4	Very low	164 Å²	164	98.3 Å²	98.3	88%	0.877	51%	0.51	S	S	*	.	S	Bend	trans	-77	36.5	-168.8	-58.8	-69.8	0	0	0	115.1
633	I	36.3	Very low	44.1	Very low	126 Å²	126	105.9 Å²	105.9	65%	0.646	53%	0.531	S	S	*	.	S	Bend	trans	-121.6	137.1	-169.5	-66.9	-179.3	0	0	0	109.9	G631	G631-I633 PolarHBondContact O-N 2.99Å
634	P	34.1	Very low	43.5	Very low	52 Å²	52	107.4 Å²	107.4	34%	0.338	54%	0.54	S	S	.	.			trans	-66.1	146.3	-153.4	22.6	-36.9	0	0	0	116.8	G692	P634-G692 WeakPolarHBondContact CG-O 3.35Å
635	Y	39.7	Very low	42.7	Very low	150 Å²	150	108 Å²	108	59%	0.588	55%	0.546	S	S	*	.			trans	-63.1	152.8	173.4	56	-93	0	0	0	113	L637	Y635-L637 HydrophobicContact CD2-CD1 4.17Å; Y635-L637 HydrophobicContact CD2-CG 4.36Å; Y635-L637 HydrophobicContact CE2-CD1 4.14Å
636	I	44.1	Very low	42.4	Very low	62 Å²	62	111.2 Å²	111.2	32%	0.318	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.2	120.5	170.4	-56.4	178.1	0	0	0	109.5	K627	K627-I636 PolarHBondContact N-O 3.31Å
637	L	42.6	Very low	42	Very low	40 Å²	40	111.1 Å²	111.1	21%	0.209	57%	0.569	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.2	123.1	171.5	-80.6	163.1	0	0	0	109.6	I615 V623 Y635	I615-L637 HydrophobicContact CG2-CD1 4.34Å; V623-L637 HydrophobicContact CG1-CD2 3.97Å; V623-L637 HydrophobicContact CG2-CD2 4.48Å; Y635-L637 HydrophobicContact CD2-CD1 4.17Å; Y635-L637 HydrophobicContact CD2-CG 4.36Å; Y635-L637 HydrophobicContact CE2-CD1 4.14Å
638	H	45.9	Very low	41.8	Very low	68 Å²	68	112.8 Å²	112.8	32%	0.315	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.3	111.9	167	-67.9	-87.4	0	0	0	109.5	V624 K625	V624-H638 PolarHBondContact N-O 2.89Å; K625-H638 HydrophobicContact CB-CB 4.14Å; K625-H638 PolarHBondContact O-N 3.39Å
639	V	47.7	Very low	41.5	Very low	49 Å²	49	116.9 Å²	116.9	30%	0.297	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.5	141.5	177.6	-174	0	0	0	0	109.5	Y621 A622	Y621-V639 HydrophobicContact CD1-CG1 3.93Å; Y621-V639 HydrophobicContact CG-CG1 4.21Å; A622-V639 WeakPolarHBondContact O-CA 3.43Å
640	R	51.3	Low	41.3	Very low	160 Å²	160	118.2 Å²	118.2	60%	0.604	61%	0.61	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.6	134.3	176	171.2	178.4	179.1	-179.1	3	110.3	Y621 A622 V624	Y621-R640 WeakPolarHBondContact CA-O 3.45Å; A622-R640 PolarHBondContact N-O 3.21Å; A622-R640 PolarHBondContact O-N 3.48Å; V624-R640 HydrophobicContact CG2-CB 3.41Å; V624-R640 VanDerWaalsContact CG2-CB 3.41Å; V624-R640 HydrophobicContact CG2-CG 4.46Å
641	E	56	Low	41.2	Very low	110 Å²	110	116.5 Å²	116.5	51%	0.514	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.6	133	168.7	-167.7	-173.1	-179.6	0	0	111.1	R620 Y621	R620-E641 CarbonylContact O-C 3.54Å; R620-E641 WeakPolarHBondContact O-CA 3.41Å; Y621-E641 HydrophobicContact CD1-CB 4.24Å; Y621-E641 HydrophobicContact CE1-CB 3.96Å; Y621-E641 HydrophobicContact CE1-CG 4.04Å
642	L	46.2	Very low	41.1	Very low	77 Å²	77	120 Å²	120	40%	0.403	62%	0.618	S	S	.	*			trans	-101.7	111.3	174.9	-61.2	-179.3	0	0	0	108.6	R620 A622 V644	R620-L642 PolarHBondContact O-N 3.26Å; A622-L642 HydrophobicContact CB-CD1 4.12Å; A622-L642 HydrophobicContact CB-CD2 4.29Å; A622-L642 HydrophobicContact CB-CG 4.26Å; L642-V644 PolarHBondContact O-N 3.09Å
643	R	45.1	Very low	41.2	Very low	194 Å²	194	121.3 Å²	121.3	73%	0.732	62%	0.619	S	S	*	*			trans	-66.7	109	174.2	-75.3	-176.1	177.4	164	-1.2	110.4
644	V	42.6	Very low	41.2	Very low	107 Å²	107	119.2 Å²	119.2	65%	0.648	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-66.6	134.6	166.8	-173.6	0	0	0	0	108.7	R620 L642	R620-V644 HydrophobicContact CG-CG2 4.46Å; L642-V644 PolarHBondContact O-N 3.09Å
645	P	35.4	Very low	41.4	Very low	111 Å²	111	123.4 Å²	123.4	72%	0.721	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-64.4	134.8	170.9	-16.8	30.4	0	0	0	110.1	T647	P645-T647 PolarHBondContact O-N 2.69Å
646	K	35.9	Very low	41.5	Very low	201 Å²	201	122.5 Å²	122.5	87%	0.874	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-65.7	119.6	167.7	-74.8	-171	173.6	-171.3	0	108.8
647	T	38.3	Very low	41.3	Very low	133 Å²	133	124.9 Å²	124.9	82%	0.816	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-73.8	124.3	165.4	44	0	0	0	0	109.1	P645	P645-T647 PolarHBondContact O-N 2.69Å
648	N	38.6	Very low	41.5	Very low	156 Å²	156	128.7 Å²	128.7	83%	0.834	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-71.7	151.1	169.3	-69.2	-10.3	0	0	0	110.2
649	E	36.8	Very low	41.3	Very low	185 Å²	185	131.2 Å²	131.2	86%	0.864	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-72.7	152.1	177.8	-63.4	-174.8	127.9	0	0	112.4
650	P	35.3	Very low	40.9	Very low	117 Å²	117	132.8 Å²	132.8	76%	0.76	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-82.8	140.7	172.6	33.6	-33.1	0	0	0	111.7
651	P	37.6	Very low	40.4	Very low	129 Å²	129	130.8 Å²	130.8	84%	0.838	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-75.9	151	173.6	31.7	-34.7	0	0	0	112.4
652	T	40.9	Very low	39.6	Very low	128 Å²	128	130.4 Å²	130.4	79%	0.785	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-86.5	127.6	-169.3	-35.5	0	0	0	0	113.7
653	Q	34.5	Very low	39.3	Very low	192 Å²	192	131.4 Å²	131.4	90%	0.897	79%	0.793	S	S	*	*			trans	32.3	123.3	154	-61.9	-177.9	-0.3	0	0	121.1
654	G	37.4	Very low	38.9	Very low	82 Å²	82	126.5 Å²	126.5	85%	0.845	79%	0.788	S	S	*	*			trans	-159.4	113.1	160.4	0	0	0	0	0	112.5
655	T	37.3	Very low	38.5	Very low	141 Å²	141	128.2 Å²	128.2	87%	0.865	79%	0.794	S	S	*	*			trans	-74.7	162.6	173.8	40	0	0	0	0	112.1
656	V	42.5	Very low	38.3	Very low	131 Å²	131	127.3 Å²	127.3	79%	0.794	80%	0.796	S	S	*	*			cis	-153.7	169.3	14.4	102.5	0	0	0	0	109.6
657	P	38.5	Very low	38.3	Very low	112 Å²	112	124.8 Å²	124.8	73%	0.727	80%	0.797	S	S	*	*			trans	-108.9	-133.8	-158.7	31.6	-14	0	0	0	116.9
658	P	47.9	Very low	38.1	Very low	119 Å²	119	127 Å²	127	77%	0.773	80%	0.798	S	S	*	*				-129.8	164.7	-90.3	38.4	-23.4	0	0	0	117.5
659	S	40.7	Very low	38.3	Very low	122 Å²	122	125.1 Å²	125.1	85%	0.853	79%	0.794	S	S	*	*			trans	-170.9	163.8	155.5	54	0	0	0	0	110.8
660	A	40.8	Very low	38	Very low	82 Å²	82	121 Å²	121	68%	0.678	79%	0.792	S	S	*	*			cis	-167.5	148.8	-36.6	0	0	0	0	0	109.2
661	S	40.4	Very low	37.8	Very low	118 Å²	118	119.8 Å²	119.8	83%	0.825	79%	0.792	S	S	*	*			trans	59.1	153.9	164.5	39.7	0	0	0	0	119
662	S	40.1	Very low	37.5	Very low	102 Å²	102	119.2 Å²	119.2	71%	0.713	79%	0.791	S	S	*	*			cis	-174.6	144.7	-17.7	50.1	0	0	0	0	110.5
663	A	37.8	Very low	37	Very low	97 Å²	97	118.4 Å²	118.4	80%	0.802	79%	0.79	S	S	*	*			trans	59.9	167.2	159.7	0	0	0	0	0	118.3
664	S	36.7	Very low	36.9	Very low	92 Å²	92	113.6 Å²	113.6	64%	0.643	78%	0.784	S	S	*	*			cis	-156	169	-42.8	62.5	0	0	0	0	110.2
665	D	34.6	Very low	36.3	Very low	143 Å²	143	118.9 Å²	118.9	77%	0.765	79%	0.786	S	S	*	*			trans	64.6	102.7	155.4	-53.7	-49.2	0	0	0	122.3
666	A	32.1	Very low	36	Very low	92 Å²	92	118.3 Å²	118.3	76%	0.76	78%	0.782	S	S	*	*				88.1	162.3	119.3	0	0	0	0	0	122.5
667	V	35.2	Very low	35.3	Very low	147 Å²	147	117.9 Å²	117.9	89%	0.891	78%	0.782	S	S	*	*			trans	84.9	141.7	174	-167.1	0	0	0	0	117
668	Q	34.3	Very low	34.8	Very low	179 Å²	179	121.3 Å²	121.3	84%	0.836	79%	0.786	S	S	*	*			trans	-104.5	-162.9	-172.1	-65.2	-175.7	-44.2	0	0	111.4
669	P	43.4	Very low	33.8	Very low	117 Å²	117	123.8 Å²	123.8	76%	0.76	79%	0.787	S	S	*	*				-127.1	164.4	-59.5	31.7	-16.8	0	0	0	113.2
670	A	30.5	Very low	33.1	Very low	100 Å²	100	121.8 Å²	121.8	83%	0.826	79%	0.786	S	S	*	*			trans	-155.5	126.1	161.3	0	0	0	0	0	116.2
671	A	31.7	Very low	32.5	Very low	91 Å²	91	123.9 Å²	123.9	75%	0.752	79%	0.786	S	S	*	*			trans	25.2	138.3	143.6	0	0	0	0	0	124.9
672	S	31.1	Very low	31.9	Very low	116 Å²	116	126.5 Å²	126.5	81%	0.811	79%	0.79	S	S	*	*			trans	72.6	155.7	152	99.7	0	0	0	0	116
673	S	29.5	Very low	31.2	Very low	111 Å²	111	126.9 Å²	126.9	78%	0.776	78%	0.784	S	S	*	*			cis	-145.3	174.7	-7.1	-59.4	0	0	0	0	107.4
674	A	32	Very low	30.7	Very low	92 Å²	92	133.2 Å²	133.2	76%	0.76	79%	0.787	S	S	*	*			cis	-151	-178.9	2.1	0	0	0	0	0	109.2
675	E	25.4	Very low	30.5	Very low	192 Å²	192	133.8 Å²	133.8	90%	0.897	79%	0.787	S	S	*	*			trans	-92.6	149.7	162.9	-67.7	-164.3	119.5	0	0	112.2
676	V	31.6	Very low	30.3	Very low	130 Å²	130	133 Å²	133	79%	0.788	78%	0.782	S	S	*	*			trans	-133.6	118.5	169.3	-179.1	0	0	0	0	109
677	P	26.6	Very low	30.5	Very low	121 Å²	121	135.6 Å²	135.6	79%	0.786	78%	0.777	S	S	*	*			trans	-78	138.7	175.3	31.9	-33.2	0	0	0	110.4
678	F	27.9	Very low	30.6	Very low	184 Å²	184	133.4 Å²	133.4	81%	0.807	76%	0.759	S	S	*	*			trans	-110.8	123.9	171	-155.2	-92.8	0	0	0	111.3
679	Q	26.4	Very low	30.7	Very low	172 Å²	172	129 Å²	129	80%	0.804	74%	0.744	S	S	*	*			trans	-70.1	155.3	-178.4	-68.3	168.7	-43.6	0	0	111.8
680	G	26.7	Very low	30.3	Very low	79 Å²	79	129.6 Å²	129.6	81%	0.814	74%	0.735	S	S	*	*			trans	-62.7	146.5	-178.7	0	0	0	0	0	113
681	N	27.8	Very low	30.6	Very low	127 Å²	127	133.3 Å²	133.3	68%	0.679	73%	0.733	S	S	*	*			trans	-134.4	127.1	174.4	-114	-49	0	0	0	111.1	L683	N681-L683 PolarHBondContact O-N 2.93Å
682	N	27.8	Very low	30.7	Very low	172 Å²	172	130.6 Å²	130.6	92%	0.92	71%	0.714	S	S	*	*			trans	-69.9	93.2	-177.8	-76.2	-62.4	0	0	0	111.1
683	L	26.8	Very low	30.8	Very low	111 Å²	111	130.4 Å²	130.4	58%	0.581	71%	0.712	S	S	*	*			trans	-95.6	99.9	180	-80.1	170.4	0	0	0	112.1	N681 T685	N681-L683 PolarHBondContact O-N 2.93Å; L683-T685 PolarHBondContact O-N 3.34Å
684	R	26.5	Very low	30.7	Very low	230 Å²	230	133.3 Å²	133.3	87%	0.868	71%	0.713	S	S	*	*			trans	-60.6	100.4	174.3	-163.8	-178.1	-160.9	176.3	5.8	110.7	N686	R684-N686 PolarHBondContact O-N 3.1Å
685	T	32.3	Very low	30.8	Very low	104 Å²	104	135.3 Å²	135.3	64%	0.638	72%	0.717	S	S	*	*			trans	-80.7	114.3	177.5	34.1	0	0	0	0	111.2	L683 F687	L683-T685 PolarHBondContact O-N 3.34Å; T685-F687 PolarHBondContact O-N 3.15Å
686	N	31.4	Very low	30.9	Very low	125 Å²	125	132.8 Å²	132.8	67%	0.668	71%	0.714	S	S	*	*			trans	-75.8	114.8	172.2	-68.5	-22.2	0	0	0	109.5	R684	R684-N686 PolarHBondContact O-N 3.1Å
687	F	36	Very low	30.8	Very low	147 Å²	147	131.2 Å²	131.2	65%	0.645	72%	0.715	S	S	*	*			trans	-107.1	124.5	167.3	-66.7	-85.7	0	0	0	108.8	T685	T685-F687 PolarHBondContact O-N 3.15Å
688	I	37	Very low	30.8	Very low	101 Å²	101	130.1 Å²	130.1	52%	0.518	72%	0.716	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.5	140.8	169.7	-51.9	179.1	0	0	0	107.7	F690	I688-F690 HydrophobicContact CB-CE2 4.32Å; I688-F690 HydrophobicContact CG2-CD2 4.1Å; I688-F690 HydrophobicContact CG2-CE1 4.11Å; I688-F690 HydrophobicContact CG2-CE2 3.49Å; I688-F690 VanDerWaalsContact CG2-CE2 3.49Å; I688-F690 HydrophobicContact CG2-CZ 3.5Å; I688-F690 VanDerWaalsContact CG2-CZ 3.5Å
689	T	35.8	Very low	31	Very low	86 Å²	86	127.2 Å²	127.2	53%	0.528	72%	0.716	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.2	112.6	179	-57.9	0	0	0	0	108.3
690	F	35.8	Very low	31.2	Very low	130 Å²	130	124.5 Å²	124.5	57%	0.57	72%	0.716	S	S	*	*			trans	-92.1	143.1	176.2	-59.7	-83.5	0	0	0	110	I688	I688-F690 HydrophobicContact CB-CE2 4.32Å; I688-F690 HydrophobicContact CG2-CD2 4.1Å; I688-F690 HydrophobicContact CG2-CE1 4.11Å; I688-F690 HydrophobicContact CG2-CE2 3.49Å; I688-F690 VanDerWaalsContact CG2-CE2 3.49Å; I688-F690 HydrophobicContact CG2-CZ 3.5Å; I688-F690 VanDerWaalsContact CG2-CZ 3.5Å
691	K	35.5	Very low	31.3	Very low	179 Å²	179	128.4 Å²	128.4	78%	0.778	72%	0.716	S	S	*	*			trans	-121.8	132.5	161.7	-84.8	-170.5	168.9	-166.7	0	106.9
692	G	35.2	Very low	31.5	Very low	34 Å²	34	127.9 Å²	127.9	35%	0.351	72%	0.72	S	S	.	*			trans	-73	154.8	159.3	0	0	0	0	0	110.4	P634	P634-G692 WeakPolarHBondContact CG-O 3.35Å
693	S	32.1	Very low	31.5	Very low	111 Å²	111	125.6 Å²	125.6	78%	0.776	72%	0.717	S	S	*	*			trans	-127.5	145.4	171.1	53.1	0	0	0	0	109.1
694	E	28.9	Very low	31.6	Very low	172 Å²	172	123.8 Å²	123.8	80%	0.804	73%	0.726	S	S	*	*			trans	-64.6	143.7	-179.4	-64.6	160.7	102.7	0	0	112
695	T	33.2	Very low	31.7	Very low	135 Å²	135	121.1 Å²	121.1	83%	0.828	73%	0.728	S	S	*	*			trans	-113.7	100	165.8	36.3	0	0	0	0	109.4	A697	T695-A697 PolarHBondContact O-N 3.44Å
696	T	27.3	Very low	31.5	Very low	139 Å²	139	123.4 Å²	123.4	85%	0.853	73%	0.732	S	S	*	*			trans	-68.7	118.9	178.5	50.2	0	0	0	0	111.8
697	A	29.8	Very low	31.4	Very low	97 Å²	97	128.8 Å²	128.8	80%	0.802	74%	0.743	S	S	*	*			trans	-146.6	121.2	165.8	0	0	0	0	0	109.9	T695	T695-A697 PolarHBondContact O-N 3.44Å
698	A	26.5	Very low	31	Very low	97 Å²	97	128.9 Å²	128.9	80%	0.802	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-82.1	144	179.4	0	0	0	0	0	111.5
699	P	31.4	Very low	30.6	Very low	124 Å²	124	129.8 Å²	129.8	81%	0.805	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-85	122.2	-177.1	32.2	-33.3	0	0	0	112.5
700	S	30.8	Very low	30.4	Very low	115 Å²	115	131.3 Å²	131.3	80%	0.804	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-93.6	134.9	158.6	50.3	0	0	0	0	110
701	I	30.2	Very low	30.3	Very low	160 Å²	160	129.2 Å²	129.2	82%	0.821	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-97.3	131.5	-176.3	-59.1	170.5	0	0	0	109.5
702	P	30.8	Very low	30.1	Very low	117 Å²	117	124.6 Å²	124.6	76%	0.76	76%	0.761	S	S	*	*			trans	-132	163.1	130.8	17.1	3.1	0	0	0	113.2
703	S	28.8	Very low	30	Very low	123 Å²	123	127.8 Å²	127.8	86%	0.86	77%	0.773	S	S	*	*			trans	-69.2	140.6	-176.4	54	0	0	0	0	114.7
704	G	28.2	Very low	30	Very low	74 Å²	74	126.1 Å²	126.1	76%	0.763	76%	0.759	S	S	*	*			trans	-173.9	131.6	164.7	0	0	0	0	0	112.7	E706	G704-E706 PolarHBondContact O-N 2.87Å
705	N	29.1	Very low	30.2	Very low	173 Å²	173	121.9 Å²	121.9	93%	0.925	75%	0.745	S	S	*	*			trans	-72	111.4	172.5	-87	-32	0	0	0	110.4
706	E	28.1	Very low	30.2	Very low	152 Å²	152	123.9 Å²	123.9	71%	0.71	74%	0.739	S	S	*	*			trans	-162.6	157.9	144.2	-123.2	-170.3	-161.3	0	0	115.6	G704 K708	G704-E706 PolarHBondContact O-N 2.87Å; E706-K708 PolarHBondContact O-N 2.67Å; E706-K708 IonicContact OE2-NZ 3.68Å; E706-K708 PolarHBondContact OE2-NZ 2.89Å
707	R	29	Very low	30.6	Very low	238 Å²	238	121.5 Å²	121.5	90%	0.898	72%	0.719	S	S	*	*			trans	-83.8	97.8	179.4	-61.4	169.9	178.3	158.4	-3.6	111.4
708	K	27.5	Very low	30.7	Very low	149 Å²	149	124.1 Å²	124.1	65%	0.648	71%	0.713	S	S	*	*			trans	-152.9	112.4	162.5	-83.8	110.8	-177.6	-170.2	0	112.6	E706	E706-K708 PolarHBondContact O-N 2.67Å; E706-K708 IonicContact OE2-NZ 3.68Å; E706-K708 PolarHBondContact OE2-NZ 2.89Å
709	S	27.9	Very low	31.1	Very low	121 Å²	121	123.1 Å²	123.1	85%	0.846	70%	0.697	S	S	*	*	S	Bend	trans	-154.9	67.4	157.9	-161.9	0	0	0	0	112.2
710	T	32.1	Very low	31.1	Very low	117 Å²	117	121.8 Å²	121.8	72%	0.718	68%	0.682	S	S	*	*	S	Bend	trans	-153.5	-7.7	170.6	-27.8	0	0	0	0	112.5	T714	T710-T714 PolarHBondContact O-OG1 3.07Å
711	T	33.2	Very low	31.2	Very low	86 Å²	86	121 Å²	121	53%	0.528	68%	0.677	S	S	.	*	H	α-helix	trans	-82.7	-36.1	-167.5	-40.2	0	0	0	0	113.5	V713 T714 T715	T711-V713 PolarHBondContact O-N 3.08Å; T711-T714 PolarHBondContact O-N 2.75Å; T711-T715 PolarHBondContact O-N 3.23Å; T711-T715 PolarHBondContact O-OG1 3.48Å
712	A	32.3	Very low	31.4	Very low	83 Å²	83	117.8 Å²	117.8	69%	0.686	67%	0.669	S	S	*	*	H	α-helix	trans	-60.9	-46.6	-173.1	0	0	0	0	0	113.4	T714 T715	A712-T714 VanDerWaalsContact C-N 3.28Å; A712-T714 PolarHBondContact O-N 3.38Å; A712-T715 PolarHBondContact O-N 2.89Å
713	V	32.1	Very low	31.5	Very low	100 Å²	100	119.4 Å²	119.4	61%	0.606	67%	0.666	S	S	*	*	H	α-helix	trans	-63.5	-35.1	179.3	-175.9	0	0	0	0	111.5	T711 I717	T711-V713 PolarHBondContact O-N 3.08Å; V713-I717 HydrophobicContact CG1-CD1 4.09Å; V713-I717 WeakPolarHBondContact O-CG1 3.47Å
714	T	33	Very low	31.6	Very low	76 Å²	76	122.3 Å²	122.3	47%	0.466	68%	0.678	S	S	.	*	H	α-helix	trans	-70.5	-32.8	-178.4	-51.9	0	0	0	0	112.3	T710 T711 A712 K718	T710-T714 PolarHBondContact O-OG1 3.07Å; T711-T714 PolarHBondContact O-N 2.75Å; A712-T714 VanDerWaalsContact C-N 3.28Å; A712-T714 PolarHBondContact O-N 3.38Å; T714-K718 PolarHBondContact O-N 2.82Å
715	T	33.9	Very low	31.8	Very low	84 Å²	84	124.8 Å²	124.8	52%	0.515	67%	0.674	S	S	.	*	H	α-helix	trans	-70.8	-46.2	-180	-55.5	0	0	0	0	111.8	T711 A712 I717 K718 T719	T711-T715 PolarHBondContact O-N 3.23Å; T711-T715 PolarHBondContact O-OG1 3.48Å; A712-T715 PolarHBondContact O-N 2.89Å; T715-I717 VanDerWaalsContact C-N 3.29Å; T715-I717 PolarHBondContact O-N 3.49Å; T715-K718 PolarHBondContact O-N 2.68Å; T715-K718 VanDerWaalsContact O-N 3.1Å; T715-T719 PolarHBondContact O-N 3.36Å; T715-T719 PolarHBondContact O-OG1 3.05Å
716	Y	32.1	Very low	31.9	Very low	177 Å²	177	122.2 Å²	122.2	69%	0.694	66%	0.661	S	S	*	*	H	α-helix	trans	-63.5	-34.8	-176.2	-148.1	-92.5	0	0	0	112.7	L720	Y716-L720 HydrophobicContact CD1-CD1 4.29Å
717	I	36.2	Very low	32.1	Very low	88 Å²	88	120.6 Å²	120.6	45%	0.451	66%	0.658	S	S	.	*	H	α-helix	trans	-72.6	-27.6	177.7	-63.7	171.8	0	0	0	111.9	L613 V713 T715	L613-I717 HydrophobicContact CD2-CD1 4.45Å; V713-I717 HydrophobicContact CG1-CD1 4.09Å; V713-I717 WeakPolarHBondContact O-CG1 3.47Å; T715-I717 VanDerWaalsContact C-N 3.29Å; T715-I717 PolarHBondContact O-N 3.49Å
718	K	32.6	Very low	32.3	Very low	153 Å²	153	113.6 Å²	113.6	67%	0.665	64%	0.644	S	S	*	*	H	α-helix	trans	-71.8	-40	177.4	-81	-174.4	172.6	-173.3	0	112.9	T714 T715 L720 S721	T714-K718 PolarHBondContact O-N 2.82Å; T715-K718 PolarHBondContact O-N 2.68Å; T715-K718 VanDerWaalsContact O-N 3.1Å; K718-L720 VanDerWaalsContact C-N 3.31Å; K718-L720 PolarHBondContact O-N 2.97Å; K718-S721 WeakPolarHBondContact O-CB 3.3Å; K718-S721 PolarHBondContact O-N 3.28Å; K718-S721 VanDerWaalsContact O-N 3.1Å
719	T	33.2	Very low	32.6	Very low	76 Å²	76	111.4 Å²	111.4	47%	0.466	64%	0.644	S	S	.	*	H	α-helix	trans	-63.1	-38.6	178.2	-40.1	0	0	0	0	111.8	T715 S721 S722	T715-T719 PolarHBondContact O-N 3.36Å; T715-T719 PolarHBondContact O-OG1 3.05Å; T719-S721 PolarHBondContact O-N 3.39Å; T719-S721 VanDerWaalsContact O-N 3.15Å; T719-S722 PolarHBondContact O-N 3.39Å; T719-S722 VanDerWaalsContact O-N 3.08Å; T719-S722 PolarHBondContact O-OG 3.28Å
720	L	32.8	Very low	32.9	Very low	95 Å²	95	110.8 Å²	110.8	50%	0.497	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.3	-15.4	175.6	-70.7	168.1	0	0	0	113.9	Y716 K718 S722	Y716-L720 HydrophobicContact CD1-CD1 4.29Å; K718-L720 VanDerWaalsContact C-N 3.31Å; K718-L720 PolarHBondContact O-N 2.97Å; L720-S722 VanDerWaalsContact C-N 3.33Å
721	S	33.1	Very low	33	Very low	98 Å²	98	110.4 Å²	110.4	69%	0.685	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	5.9	175.4	-168.7	0	0	0	0	113.6	K718 T719	K718-S721 WeakPolarHBondContact O-CB 3.3Å; K718-S721 PolarHBondContact O-N 3.28Å; K718-S721 VanDerWaalsContact O-N 3.1Å; T719-S721 PolarHBondContact O-N 3.39Å; T719-S721 VanDerWaalsContact O-N 3.15Å
722	S	32.5	Very low	32.9	Very low	93 Å²	93	112.2 Å²	112.2	65%	0.65	63%	0.631	S	S	*	*	S	Bend	trans	-121	3	176.1	44.5	0	0	0	0	114.4	T719 L720	T719-S722 PolarHBondContact O-N 3.39Å; T719-S722 VanDerWaalsContact O-N 3.08Å; T719-S722 PolarHBondContact O-OG 3.28Å; L720-S722 VanDerWaalsContact C-N 3.33Å
723	E	33.4	Very low	33	Very low	152 Å²	152	114.7 Å²	114.7	71%	0.71	63%	0.627	S	S	*	*			trans	-120.2	11.3	-178.9	-61.7	-173.8	140.5	0	0	113.2
724	V	31.2	Very low	33.1	Very low	184 Å²	184	116 Å²	116	100%	1.115	63%	0.629	S	S	*	*			trans	-139.2	0	-176.2	-174.8	0	0	0	0	110.9

Retrieved 724 of 724 residues in 159.8 ms (Link to these results)

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