A0A5K4FD61_SCHMA Loading...

Tubulin-specific chaperone E

AlphaFold DB , UniProt , Accession A0A5K4FD61, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 680 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	37.3	Very low	35.6	Very low	239 Å²	239	140.8 Å²	140.8	100%	1.177	82%	0.816	S	S	*	*				0	95.5	0	-75.5	174	174.9	0	0	106.4
2	N	28.8	Very low	37.7	Very low	159 Å²	159	138.7 Å²	138.7	85%	0.85	81%	0.811	S	S	*	*			trans	-98.2	114.9	-177.8	-76.3	-3.1	0	0	0	108.4
3	T	33.3	Very low	39.9	Very low	142 Å²	142	130.7 Å²	130.7	87%	0.871	76%	0.762	S	S	*	*			trans	-99.1	101.9	165.2	48.4	0	0	0	0	107.8	G5	T3-G5 PolarHBondContact O-N 3.08Å
4	T	35.3	Very low	42.3	Very low	129 Å²	129	128.8 Å²	128.8	79%	0.791	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-65.8	120.2	166.2	43	0	0	0	0	108.8
5	G	29.7	Very low	44.9	Very low	76 Å²	76	120.7 Å²	120.7	78%	0.784	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-83.2	122.2	172.1	0	0	0	0	0	110.2	T3 A7	T3-G5 PolarHBondContact O-N 3.08Å; G5-A7 PolarHBondContact O-N 3.44Å
6	D	32.3	Very low	47.6	Very low	169 Å²	169	113.2 Å²	113.2	90%	0.904	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-66.9	118.8	172.7	-77.6	-36.1	0	0	0	110.5
7	A	29.1	Very low	50	Low	77 Å²	77	108.6 Å²	108.6	64%	0.636	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-91.9	155.8	167.7	0	0	0	0	0	109.7	G5	G5-A7 PolarHBondContact O-N 3.44Å
8	H	35.1	Very low	52	Low	156 Å²	156	107.5 Å²	107.5	72%	0.722	61%	0.611	S	S	*	*			trans	96.9	74.2	179.8	-49.6	-60.3	0	0	0	115.8
9	N	31.9	Very low	54	Low	172 Å²	172	102.5 Å²	102.5	92%	0.92	59%	0.586	S	S	*	*			trans	-110.3	63.7	167	-144.2	15.4	0	0	0	109.3
10	H	45.9	Very low	55.8	Low	120 Å²	120	97.9 Å²	97.9	56%	0.556	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-97.1	142.1	168.9	-74.8	-60.2	0	0	0	109.4	D192	H10-D192 IonicContact CD2-OD1 3.81Å; H10-D192 IonicContact CE1-OD1 3.24Å; H10-D192 IonicContact CE1-OD2 2.62Å; H10-D192 IonicContact NE2-OD1 3.34Å; H10-D192 PolarHBondContact NE2-OD1 3.18Å; H10-D192 IonicContact NE2-OD2 3.55Å; H10-D192 PolarHBondContact NE2-OD2 3.3Å; H10-D192 VanDerWaalsContact NE2-OD2 3.12Å
11	S	52.6	Low	57.3	Low	110 Å²	110	98.6 Å²	98.6	77%	0.769	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-59.3	124.7	166.9	-71	0	0	0	0	107.9	I13	S11-I13 PolarHBondContact O-N 2.91Å
12	P	60.7	Low	59.7	Low	115 Å²	115	88.6 Å²	88.6	75%	0.747	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-57.6	129.5	-177.5	21.7	-31.5	0	0	0	109.1	K14	P12-K14 PolarHBondContact O-N 3.15Å; P12-K14 VanDerWaalsContact O-N 3.09Å
13	I	66.8	Low	62.8	Low	35 Å²	35	81 Å²	81	18%	0.179	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-57.4	119.9	175.4	-61.4	175.6	0	0	0	106.2	S11 Y110 V114 C118 T122 L238	S11-I13 PolarHBondContact O-N 2.91Å; I13-Y110 HydrophobicContact CG2-CD2 4.17Å; I13-Y110 HydrophobicContact CG2-CE2 4.45Å; I13-V114 HydrophobicContact CD1-CB 4.28Å; I13-V114 HydrophobicContact CD1-CG1 3.48Å; I13-V114 VanDerWaalsContact CD1-CG1 3.48Å; I13-V114 HydrophobicContact CD1-CG2 3.73Å; I13-V114 HydrophobicContact CG2-CG2 4.37Å; I13-C118 HydrophobicContact CD1-CB 4.04Å; I13-T122 HydrophobicContact CB-CG2 3.6Å; I13-T122 HydrophobicContact CG2-CG2 3.73Å; I13-T122 WeakPolarHBondContact O-CG2 3.19Å; I13-L238 HydrophobicContact CG1-CD2 4.36Å; I13-L238 HydrophobicContact CG2-CD2 4.03Å
14	K	73.1	Confident	65.7	Low	104 Å²	104	80.6 Å²	80.6	45%	0.452	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-77.4	139.3	-179.5	-67.5	-176.3	-179.8	177.5	0	108.9	P12 I16 E21	P12-K14 PolarHBondContact O-N 3.15Å; P12-K14 VanDerWaalsContact O-N 3.09Å; K14-I16 PolarHBondContact O-N 2.9Å; K14-E21 IonicContact NZ-OE1 2.89Å; K14-E21 PolarHBondContact NZ-OE1 3.16Å
15	D	81.8	Confident	68.5	Low	8 Å²	8	75.5 Å²	75.5	4%	0.043	43%	0.425	C	S	.	.			trans	-62.9	110	167.9	-177.9	-4.7	0	0	0	108.9	Y17 L18	D15-Y17 PolarHBondContact O-N 3.07Å; D15-Y17 VanDerWaalsContact O-N 3.11Å; D15-Y17 VanDerWaalsContact OD1-CB 3.31Å; D15-Y17 WeakPolarHBondContact OD1-CB 3.33Å; D15-Y17 WeakPolarHBondContact OD1-CD2 3.28Å; D15-Y17 PolarHBondContact OD1-N 2.95Å; D15-L18 HydrophobicContact CB-CD1 4.21Å; D15-L18 HydrophobicContact CB-CG 4.22Å; D15-L18 WeakPolarHBondContact O-CB 3.49Å; D15-L18 PolarHBondContact O-N 3.24Å
16	I	87.3	Confident	71.4	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-60.2	-21.3	-179.3	59.5	160.8	0	0	0	112.4	K14 L18 G19 T20 T102 Y110 M215 P216 L238	K14-I16 PolarHBondContact O-N 2.9Å; I16-L18 PolarHBondContact O-N 2.91Å; I16-G19 WeakPolarHBondContact O-CA 3.48Å; I16-G19 PolarHBondContact O-N 2.92Å; I16-T20 HydrophobicContact CB-CG2 4.47Å; I16-T20 HydrophobicContact CG2-CG2 4.03Å; I16-T102 HydrophobicContact CB-CG2 4.26Å; I16-T102 HydrophobicContact CD1-CG2 4.38Å; I16-Y110 HydrophobicContact CD1-CD1 3.61Å; I16-Y110 HydrophobicContact CD1-CE1 4.08Å; I16-Y110 HydrophobicContact CD1-CG 3.89Å; I16-Y110 HydrophobicContact CG1-CD1 3.85Å; I16-Y110 HydrophobicContact CG1-CD2 4.14Å; I16-Y110 HydrophobicContact CG1-CE1 3.97Å; I16-Y110 HydrophobicContact CG1-CE2 4.26Å; I16-Y110 HydrophobicContact CG1-CG 3.93Å; I16-Y110 HydrophobicContact CG2-CD2 3.81Å; I16-Y110 HydrophobicContact CG2-CE2 4.49Å; I16-Y110 HydrophobicContact CG2-CG 3.92Å; I16-M215 HydrophobicContact CD1-CE 3.1Å; I16-P216 WeakPolarHBondContact O-CG 3.02Å; I16-L238 HydrophobicContact CG2-CD1 4.32Å
17	Y	88.3	Confident	74.2	Confident	36 Å²	36	75.6 Å²	75.6	14%	0.141	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-72.9	-7.7	176.9	-66.8	-79	0	0	0	113.5	D15 G19 V38 K41 Y110 S214 P216	D15-Y17 PolarHBondContact O-N 3.07Å; D15-Y17 VanDerWaalsContact O-N 3.11Å; D15-Y17 VanDerWaalsContact OD1-CB 3.31Å; D15-Y17 WeakPolarHBondContact OD1-CB 3.33Å; D15-Y17 WeakPolarHBondContact OD1-CD2 3.28Å; D15-Y17 PolarHBondContact OD1-N 2.95Å; Y17-G19 VanDerWaalsContact C-N 3.34Å; Y17-V38 WeakPolarHBondContact O-CG2 3.36Å; Y17-K41 HydrophobicContact CD1-CG 4.16Å; Y17-K41 HydrophobicContact CG-CG 4.01Å; Y17-Y110 HydrophobicContact CE2-CE1 4.43Å; Y17-S214 WeakPolarHBondContact CE1-O 3.38Å; Y17-P216 HydrophobicContact CD1-CG 4.28Å
18	L	87.5	Confident	77.3	Confident	88 Å²	88	74.3 Å²	74.3	46%	0.461	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-90.9	-5.7	166.2	-55.7	178.2	0	0	0	112	D15 I16 L126	D15-L18 HydrophobicContact CB-CD1 4.21Å; D15-L18 HydrophobicContact CB-CG 4.22Å; D15-L18 WeakPolarHBondContact O-CB 3.49Å; D15-L18 PolarHBondContact O-N 3.24Å; I16-L18 PolarHBondContact O-N 2.91Å; L18-L126 HydrophobicContact CD1-CD1 4.4Å; L18-L126 HydrophobicContact CD1-CD2 4.08Å
19	G	88.9	Confident	80.1	Confident	13 Å²	13	69.4 Å²	69.4	13%	0.134	37%	0.371	C	S	.	.			trans	80.6	154.5	-168	0	0	0	0	0	112.6	I16 Y17 S99 G101	I16-G19 WeakPolarHBondContact O-CA 3.48Å; I16-G19 PolarHBondContact O-N 2.92Å; Y17-G19 VanDerWaalsContact C-N 3.34Å; G19-S99 WeakPolarHBondContact CA-OG 3.29Å; G19-G101 WeakPolarHBondContact CA-O 3.44Å
20	T	89.5	Confident	82.9	Confident	10 Å²	10	66 Å²	66	6%	0.061	35%	0.35	C	S	.	.			trans	-106.1	179.8	179.2	61.6	0	0	0	0	110.8	I16 C22 G23 K24 G101 T102 E106	I16-T20 HydrophobicContact CB-CG2 4.47Å; I16-T20 HydrophobicContact CG2-CG2 4.03Å; T20-C22 PolarHBondContact O-N 3.04Å; T20-C22 PolarHBondContact OG1-SG 2.79Å; T20-G23 PolarHBondContact O-N 2.92Å; T20-K24 PolarHBondContact O-N 2.86Å; T20-G101 PolarHBondContact N-O 3.04Å; T20-G101 PolarHBondContact OG1-O 3.38Å; T20-T102 VanDerWaalsContact CG2-OG1 3.26Å; T20-T102 WeakPolarHBondContact CG2-OG1 3.41Å; T20-E106 WeakPolarHBondContact CB-OE2 3.08Å; T20-E106 VanDerWaalsContact CG2-OE2 3.24Å; T20-E106 WeakPolarHBondContact CG2-OE2 3.39Å; T20-E106 PolarHBondContact OG1-OE2 2.82Å
21	E	88.3	Confident	85.1	Confident	112 Å²	112	64.2 Å²	64.2	52%	0.523	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-59.6	-35.4	178.9	-65.1	-56	136.6	0	0	112	K14 G23 K24	K14-E21 IonicContact NZ-OE1 2.89Å; K14-E21 PolarHBondContact NZ-OE1 3.16Å; E21-G23 PolarHBondContact O-N 3.23Å; E21-K24 VanDerWaalsContact O-CB 3.32Å; E21-K24 WeakPolarHBondContact O-CB 3.26Å; E21-K24 PolarHBondContact O-N 2.91Å
22	C	87.8	Confident	87.1	Confident	29 Å²	29	59.8 Å²	59.8	20%	0.196	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-68.3	-22.1	177.5	76.8	0	0	0	0	112.4	T20 S103 E106 Y218 L221	T20-C22 PolarHBondContact O-N 3.04Å; T20-C22 PolarHBondContact OG1-SG 2.79Å; C22-S103 PolarHBondContact SG-N 3.43Å; C22-S103 VanDerWaalsContact SG-N 3.41Å; C22-E106 PolarHBondContact SG-OE2 3.28Å; C22-E106 VanDerWaalsContact SG-OE2 3.33Å; C22-Y218 PolarHBondContact O-OH 3.28Å; C22-L221 HydrophobicContact CB-CD2 4.29Å
23	G	92.9	Very high	88.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-85.9	-5.2	176.5	0	0	0	0	0	114.4	T20 E21 I25 S99 L100 G101	T20-G23 PolarHBondContact O-N 2.92Å; E21-G23 PolarHBondContact O-N 3.23Å; G23-I25 PolarHBondContact O-N 2.99Å; G23-S99 VanDerWaalsContact C-OG 3.31Å; G23-S99 WeakPolarHBondContact CA-OG 3.41Å; G23-S99 PolarHBondContact O-OG 2.93Å; G23-S99 VanDerWaalsContact O-OG 3.11Å; G23-L100 WeakPolarHBondContact O-CB 3.33Å; G23-L100 PolarHBondContact O-N 3Å; G23-G101 WeakPolarHBondContact CA-O 3.32Å
24	K	94.1	Very high	90.1	Very high	134 Å²	134	53.1 Å²	53.1	58%	0.583	27%	0.271	S	S	*	.			trans	-65	127.5	-176.9	-172.4	178.2	-178.3	178.2	0	111	T20 E21 T26	T20-K24 PolarHBondContact O-N 2.86Å; E21-K24 VanDerWaalsContact O-CB 3.32Å; E21-K24 WeakPolarHBondContact O-CB 3.26Å; E21-K24 PolarHBondContact O-N 2.91Å; K24-T26 PolarHBondContact O-N 2.82Å; K24-T26 VanDerWaalsContact O-N 3.1Å
25	I	95.1	Very high	91.3	Very high	22 Å²	22	50.7 Å²	50.7	11%	0.113	26%	0.259	C	S	.	.			trans	-75.7	101.4	175.2	-56.9	173.8	0	0	0	108.7	G23 V28 I32 I37 L60 P95 V98 L100	G23-I25 PolarHBondContact O-N 2.99Å; I25-V28 HydrophobicContact CG2-CG2 3.88Å; I25-I32 HydrophobicContact CG2-CD1 3.95Å; I25-I37 HydrophobicContact CD1-CG2 4.47Å; I25-L60 HydrophobicContact CD1-CD1 3.83Å; I25-P95 HydrophobicContact CG2-CB 4.47Å; I25-V98 HydrophobicContact CD1-CG2 3.84Å; I25-L100 HydrophobicContact CG1-CD1 4.44Å; I25-L100 HydrophobicContact CG1-CG 3.98Å
26	T	91.4	Very high	92	Very high	121 Å²	121	50.4 Å²	50.4	74%	0.742	26%	0.257	S	S	*	.			trans	-89.4	-36.5	178	50.9	0	0	0	0	112.4	K24	K24-T26 PolarHBondContact O-N 2.82Å; K24-T26 VanDerWaalsContact O-N 3.1Å
27	E	91	Very high	92.5	Very high	126 Å²	126	50.4 Å²	50.4	59%	0.589	26%	0.257	S	S	*	.			trans	-113	121.7	178.1	-64.9	-173.8	-178.3	0	0	110.6
28	V	94.1	Very high	92.9	Very high	49 Å²	49	48.7 Å²	48.7	30%	0.297	25%	0.251	S	S	.	.			trans	-108.2	87.2	-179	-173.9	0	0	0	0	108.6	I25 V49 P58 L60 P95	I25-V28 HydrophobicContact CG2-CG2 3.88Å; V28-V49 HydrophobicContact CG1-CG1 3.64Å; V28-P58 HydrophobicContact CB-CG 4.23Å; V28-P58 HydrophobicContact CG1-CB 3.68Å; V28-P58 HydrophobicContact CG1-CG 3.83Å; V28-L60 HydrophobicContact CG1-CD2 4.08Å; V28-P95 HydrophobicContact CB-CG 4.43Å; V28-P95 HydrophobicContact CG1-CG 3.83Å; V28-P95 HydrophobicContact CG2-CB 3.72Å; V28-P95 HydrophobicContact CG2-CG 3.68Å
29	N	93.6	Very high	93.2	Very high	53 Å²	53	46.5 Å²	46.5	28%	0.283	24%	0.238	S	C	.	.	S	Bend	trans	-140.3	-178.2	-179.7	61.3	38.4	0	0	0	110.2	L31 I32	N29-L31 PolarHBondContact O-N 3.05Å; N29-L31 VanDerWaalsContact O-N 3.15Å; N29-L31 WeakPolarHBondContact OD1-CB 3.26Å; N29-L31 WeakPolarHBondContact OD1-CG 3.39Å; N29-L31 PolarHBondContact OD1-N 2.86Å; N29-I32 WeakPolarHBondContact O-CG1 3.36Å
30	E	91.2	Very high	93.1	Very high	101 Å²	101	51 Å²	51	47%	0.472	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-68.7	-11.4	-176.2	-58.4	-171.6	168.8	0	0	114.5	I32 I33 K311 Y317	E30-I32 PolarHBondContact O-N 3.02Å; E30-I33 HydrophobicContact CB-CD1 3.99Å; E30-I33 HydrophobicContact CG-CD1 4.3Å; E30-I33 WeakPolarHBondContact O-CB 3.37Å; E30-I33 WeakPolarHBondContact O-CG1 3.33Å; E30-I33 PolarHBondContact O-N 2.76Å; E30-K311 IonicContact OE2-NZ 2.97Å; E30-K311 PolarHBondContact OE2-NZ 3.1Å; E30-Y317 WeakPolarHBondContact CB-OH 3.18Å; E30-Y317 VanDerWaalsContact O-CE2 3.22Å; E30-Y317 WeakPolarHBondContact O-CE2 3.44Å; E30-Y317 PolarHBondContact O-OH 3.25Å
31	L	91.7	Very high	93	Very high	83 Å²	83	56.1 Å²	56.1	44%	0.435	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-67	-25.6	-178.4	-54.6	174.3	0	0	0	112.6	N29 I33 Y317	N29-L31 PolarHBondContact O-N 3.05Å; N29-L31 VanDerWaalsContact O-N 3.15Å; N29-L31 WeakPolarHBondContact OD1-CB 3.26Å; N29-L31 WeakPolarHBondContact OD1-CG 3.39Å; N29-L31 PolarHBondContact OD1-N 2.86Å; L31-I33 VanDerWaalsContact C-N 3.34Å; L31-Y317 HydrophobicContact CD2-CD1 3.39Å; L31-Y317 HydrophobicContact CD2-CD2 4.12Å; L31-Y317 HydrophobicContact CD2-CE1 3.82Å; L31-Y317 HydrophobicContact CD2-CE2 4.47Å; L31-Y317 HydrophobicContact CD2-CG 3.54Å
32	I	94.6	Very high	93.3	Very high	17 Å²	17	52.4 Å²	52.4	9%	0.087	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-85.6	-5.4	178.5	68.8	178.1	0	0	0	113	I25 N29 E30 G34 R35 I46 V49 L60	I25-I32 HydrophobicContact CG2-CD1 3.95Å; N29-I32 WeakPolarHBondContact O-CG1 3.36Å; E30-I32 PolarHBondContact O-N 3.02Å; I32-G34 PolarHBondContact O-N 2.88Å; I32-R35 VanDerWaalsContact O-CB 3.29Å; I32-R35 WeakPolarHBondContact O-CB 3.46Å; I32-R35 PolarHBondContact O-N 2.76Å; I32-I46 HydrophobicContact CB-CD1 4.18Å; I32-I46 HydrophobicContact CD1-CD1 3.97Å; I32-I46 HydrophobicContact CG1-CD1 4.04Å; I32-I46 HydrophobicContact CG1-CG2 4.46Å; I32-V49 HydrophobicContact CD1-CG2 4.18Å; I32-V49 HydrophobicContact CG1-CG2 3.82Å; I32-L60 HydrophobicContact CD1-CD2 3.85Å
33	I	95.3	Very high	93.8	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	136.4	172.7	-64.8	174	0	0	0	109	E30 L31 R35 V49 R290 L308 K311 L312	E30-I33 HydrophobicContact CB-CD1 3.99Å; E30-I33 HydrophobicContact CG-CD1 4.3Å; E30-I33 WeakPolarHBondContact O-CB 3.37Å; E30-I33 WeakPolarHBondContact O-CG1 3.33Å; E30-I33 PolarHBondContact O-N 2.76Å; L31-I33 VanDerWaalsContact C-N 3.34Å; I33-R35 PolarHBondContact O-N 3.19Å; I33-V49 HydrophobicContact CD1-CG2 4.44Å; I33-V49 HydrophobicContact CG1-CB 4.43Å; I33-V49 HydrophobicContact CG1-CG2 3.77Å; I33-R290 VanDerWaalsContact O-CZ 3.31Å; I33-R290 PolarHBondContact O-NH1 3.45Å; I33-R290 PolarHBondContact O-NH2 3.17Å; I33-R290 VanDerWaalsContact O-NH2 3.1Å; I33-L308 HydrophobicContact CD1-CD1 4.03Å; I33-L308 HydrophobicContact CG2-CD1 4.18Å; I33-K311 HydrophobicContact CD1-CD 4.33Å; I33-K311 HydrophobicContact CG2-CB 3.9Å; I33-L312 HydrophobicContact CG2-CD2 3.74Å; I33-L312 HydrophobicContact CG2-CG 4.33Å
34	G	95.6	Very high	94	Very high	5 Å²	5	51.9 Å²	51.9	5%	0.052	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-7.3	-174.7	0	0	0	0	0	114.5	I32 I46	I32-G34 PolarHBondContact O-N 2.88Å; G34-I46 PolarHBondContact N-O 2.9Å
35	R	96.9	Very high	94.1	Very high	53 Å²	53	46 Å²	46	20%	0.2	23%	0.23	C	C	.	.			trans	-72.7	157	169.5	-66	-146.2	124.9	156.4	7.7	111.3	I32 I33 I46 L100 E268	I32-R35 VanDerWaalsContact O-CB 3.29Å; I32-R35 WeakPolarHBondContact O-CB 3.46Å; I32-R35 PolarHBondContact O-N 2.76Å; I33-R35 PolarHBondContact O-N 3.19Å; R35-I46 PolarHBondContact O-N 2.68Å; R35-L100 HydrophobicContact CB-CD2 3.93Å; R35-E268 IonicContact CZ-OE1 3.55Å; R35-E268 IonicContact NE-OE1 2.81Å; R35-E268 PolarHBondContact NE-OE1 3.48Å; R35-E268 IonicContact NH2-OE1 3.27Å; R35-E268 PolarHBondContact NH2-OE1 2.89Å
36	R	97.5	Very high	94.3	Very high	2 Å²	2	45 Å²	45	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	146.7	-176.5	-61.4	-73.8	-66.5	176.7	-0.6	109.3	G44 T45 D65 L262 R288	R36-G44 CarbonylContact C-O 3.35Å; R36-G44 WeakPolarHBondContact CA-O 3.36Å; R36-T45 VanDerWaalsContact CD-OG1 3.28Å; R36-T45 WeakPolarHBondContact CD-OG1 3.38Å; R36-T45 PolarHBondContact NH1-OG1 2.68Å; R36-D65 IonicContact CZ-OD1 2.74Å; R36-D65 IonicContact CZ-OD2 2.78Å; R36-D65 IonicContact NH1-OD1 3.12Å; R36-D65 PolarHBondContact NH1-OD1 3.09Å; R36-D65 IonicContact NH1-OD2 3.67Å; R36-D65 PolarHBondContact NH1-OD2 3.33Å; R36-D65 IonicContact NH2-OD1 2.69Å; R36-D65 IonicContact NH2-OD2 3.73Å; R36-D65 PolarHBondContact NH2-OD2 3.24Å; R36-L262 HydrophobicContact CB-CB 3.81Å; R36-L262 HydrophobicContact CB-CD2 3.76Å; R36-L262 HydrophobicContact CB-CG 4.36Å; R36-L262 WeakPolarHBondContact CB-O 3.27Å; R36-R288 VanDerWaalsContact NH1-NE 3.17Å
37	I	98	Very high	94.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	158.1	-179.4	56.3	142.7	0	0	0	111.6	I25 F43 G44 I46 V62 W64 V98 S99 L100	I25-I37 HydrophobicContact CD1-CG2 4.47Å; I37-F43 VanDerWaalsContact O-CA 3.29Å; I37-F43 WeakPolarHBondContact O-CA 3.27Å; I37-G44 PolarHBondContact N-O 2.72Å; I37-G44 PolarHBondContact O-N 2.97Å; I37-I46 HydrophobicContact CG2-CD1 3.61Å; I37-I46 HydrophobicContact CG2-CG1 3.8Å; I37-V62 HydrophobicContact CD1-CB 4.45Å; I37-V62 HydrophobicContact CD1-CG1 3.84Å; I37-V62 HydrophobicContact CD1-CG2 3.72Å; I37-V62 HydrophobicContact CG1-CG1 4.3Å; I37-W64 HydrophobicContact CD1-CH2 3.76Å; I37-W64 HydrophobicContact CD1-CZ3 4.08Å; I37-V98 HydrophobicContact CB-CB 4.37Å; I37-V98 HydrophobicContact CD1-CB 3.62Å; I37-V98 HydrophobicContact CD1-CG1 3.63Å; I37-V98 HydrophobicContact CD1-CG2 3.9Å; I37-V98 HydrophobicContact CG2-CG2 4.29Å; I37-S99 CarbonylContact C-O 3.6Å; I37-S99 WeakPolarHBondContact CA-O 3.39Å; I37-S99 VanDerWaalsContact CB-O 3.28Å; I37-S99 WeakPolarHBondContact CB-O 3.08Å; I37-L100 HydrophobicContact CG2-CD2 4.14Å
38	V	96.9	Very high	94.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.3	168.3	60.8	0	0	0	0	111.2	Y17 N42 F43 S99 P216 L262	Y17-V38 WeakPolarHBondContact O-CG2 3.36Å; V38-N42 CarbonylContact C-O 3.52Å; V38-N42 WeakPolarHBondContact CA-O 3.5Å; V38-F43 HydrophobicContact CB-CD1 3.85Å; V38-F43 HydrophobicContact CB-CE1 3.86Å; V38-F43 HydrophobicContact CG2-CD1 3.8Å; V38-F43 HydrophobicContact CG2-CE1 3.61Å; V38-S99 PolarHBondContact N-O 2.81Å; V38-S99 PolarHBondContact O-N 3.26Å; V38-P216 HydrophobicContact CB-CB 4.19Å; V38-P216 HydrophobicContact CG1-CB 4.02Å; V38-P216 HydrophobicContact CG2-CB 4.48Å; V38-L262 HydrophobicContact CB-CD1 4Å; V38-L262 HydrophobicContact CG1-CD1 4.14Å
39	H	93.7	Very high	94.8	Very high	42 Å²	42	33.9 Å²	33.9	19%	0.194	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	118.1	164.5	-178.5	-118.5	0	0	0	109.7	K41 N42 W64 R69 K97 V98	H39-K41 VanDerWaalsContact C-N 3.35Å; H39-K41 PolarHBondContact O-N 3.3Å; H39-N42 PolarHBondContact N-O 3.3Å; H39-N42 WeakPolarHBondContact O-CB 3.38Å; H39-N42 PolarHBondContact O-N 3.44Å; H39-W64 HydrophobicContact CB-CH2 3.64Å; H39-W64 HydrophobicContact CB-CZ3 4.15Å; H39-R69 PolarHBondContact CE1-NH2 3.01Å; H39-R69 PolarHBondContact ND1-NH2 3.39Å; H39-K97 PolarHBondContact CD2-O 3.13Å; H39-K97 PolarHBondContact NE2-O 3.24Å; H39-V98 HydrophobicContact CB-CG1 4.07Å
40	E	86.4	Confident	94.9	Very high	108 Å²	108	32.3 Å²	32.3	51%	0.505	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	54.5	179.7	-58.3	170.3	153.6	0	0	111.8	N42 R69	E40-N42 PolarHBondContact O-N 2.81Å; E40-N42 PolarHBondContact O-ND2 2.78Å; E40-R69 IonicContact OE2-CZ 3.98Å; E40-R69 IonicContact OE2-NH1 3.21Å; E40-R69 PolarHBondContact OE2-NH1 2.83Å; E40-R69 IonicContact OE2-NH2 2.8Å; E40-R69 PolarHBondContact OE2-NH2 3.38Å
41	K	87.4	Confident	95.1	Very high	116 Å²	116	29.7 Å²	29.7	50%	0.504	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	-0.5	-177.7	-55.5	175.4	178.8	-176.5	0	116.1	Y17 H39	Y17-K41 HydrophobicContact CD1-CG 4.16Å; Y17-K41 HydrophobicContact CG-CG 4.01Å; H39-K41 VanDerWaalsContact C-N 3.35Å; H39-K41 PolarHBondContact O-N 3.3Å
42	N	94.2	Very high	95.3	Very high	35 Å²	35	26.2 Å²	26.2	19%	0.187	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.4	175.8	-68.7	-97	0	0	0	110.4	V38 H39 E40 W64 R69	V38-N42 CarbonylContact C-O 3.52Å; V38-N42 WeakPolarHBondContact CA-O 3.5Å; H39-N42 PolarHBondContact N-O 3.3Å; H39-N42 WeakPolarHBondContact O-CB 3.38Å; H39-N42 PolarHBondContact O-N 3.44Å; E40-N42 PolarHBondContact O-N 2.81Å; E40-N42 PolarHBondContact O-ND2 2.78Å; N42-W64 HydrophobicContact CB-CE3 4.12Å; N42-W64 HydrophobicContact CB-CZ3 4.16Å; N42-W64 WeakPolarHBondContact O-CZ3 3.5Å; N42-R69 HydrophobicContact CB-CG 4.14Å; N42-R69 PolarHBondContact ND2-NH1 3Å
43	F	97.3	Very high	95.2	Very high	17 Å²	17	27.8 Å²	27.8	8%	0.075	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	145.6	177.6	-61.5	-15.2	0	0	0	111.8	I37 V38 D65 S214 P216 N260 L262	I37-F43 VanDerWaalsContact O-CA 3.29Å; I37-F43 WeakPolarHBondContact O-CA 3.27Å; V38-F43 HydrophobicContact CB-CD1 3.85Å; V38-F43 HydrophobicContact CB-CE1 3.86Å; V38-F43 HydrophobicContact CG2-CD1 3.8Å; V38-F43 HydrophobicContact CG2-CE1 3.61Å; F43-D65 WeakPolarHBondContact O-CB 3.43Å; F43-D65 PolarHBondContact O-N 3.3Å; F43-S214 WeakPolarHBondContact CZ-O 3.42Å; F43-P216 HydrophobicContact CE1-CB 3.92Å; F43-P216 HydrophobicContact CZ-CB 4.05Å; F43-N260 VanDerWaalsContact CE2-O 3.31Å; F43-N260 WeakPolarHBondContact CE2-O 3.31Å; F43-L262 HydrophobicContact CB-CD2 3.88Å; F43-L262 HydrophobicContact CD1-CD2 3.69Å; F43-L262 HydrophobicContact CD1-CG 4.41Å; F43-L262 HydrophobicContact CD2-CD2 3.87Å; F43-L262 HydrophobicContact CE1-CD1 4.5Å; F43-L262 HydrophobicContact CE1-CD2 4.17Å; F43-L262 HydrophobicContact CE1-CG 4.41Å; F43-L262 HydrophobicContact CE2-CD2 4.32Å; F43-L262 HydrophobicContact CG-CD2 3.54Å; F43-L262 HydrophobicContact CZ-CD2 4.46Å
44	G	97.3	Very high	95	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	168.3	177.7	0	0	0	0	0	112.3	R36 I37 D63	R36-G44 CarbonylContact C-O 3.35Å; R36-G44 WeakPolarHBondContact CA-O 3.36Å; I37-G44 PolarHBondContact N-O 2.72Å; I37-G44 PolarHBondContact O-N 2.97Å; G44-D63 CarbonylContact C-O 3.51Å; G44-D63 VanDerWaalsContact CA-O 3.32Å; G44-D63 WeakPolarHBondContact CA-O 3.43Å
45	T	97.7	Very high	94.9	Very high	11 Å²	11	38.4 Å²	38.4	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.5	175	-61.1	0	0	0	0	109.7	R36 C47 V62 D63 R288 L312	R36-T45 VanDerWaalsContact CD-OG1 3.28Å; R36-T45 WeakPolarHBondContact CD-OG1 3.38Å; R36-T45 PolarHBondContact NH1-OG1 2.68Å; T45-C47 PolarHBondContact O-N 2.89Å; T45-V62 CarbonylContact O-C 3.48Å; T45-V62 VanDerWaalsContact O-CA 3.29Å; T45-V62 WeakPolarHBondContact O-CA 3.05Å; T45-D63 PolarHBondContact N-O 3.15Å; T45-D63 PolarHBondContact O-N 3.43Å; T45-R288 WeakPolarHBondContact OG1-CD 3.46Å; T45-L312 HydrophobicContact CG2-CD2 4.46Å
46	I	97.8	Very high	94.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	114	171.5	-60.2	167.5	0	0	0	108.5	I32 G34 R35 I37 V49 L60 G61 L100	I32-I46 HydrophobicContact CB-CD1 4.18Å; I32-I46 HydrophobicContact CD1-CD1 3.97Å; I32-I46 HydrophobicContact CG1-CD1 4.04Å; I32-I46 HydrophobicContact CG1-CG2 4.46Å; G34-I46 PolarHBondContact N-O 2.9Å; R35-I46 PolarHBondContact O-N 2.68Å; I37-I46 HydrophobicContact CG2-CD1 3.61Å; I37-I46 HydrophobicContact CG2-CG1 3.8Å; I46-V49 HydrophobicContact CG2-CG2 3.8Å; I46-L60 HydrophobicContact CD1-CD1 4.29Å; I46-L60 HydrophobicContact CG1-CD1 4.49Å; I46-L60 HydrophobicContact CG2-CD2 4.42Å; I46-G61 CarbonylContact C-O 3.54Å; I46-L100 HydrophobicContact CD1-CD2 4.46Å
47	C	96.7	Very high	94.3	Very high	7 Å²	7	45 Å²	45	5%	0.047	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-17	-179	-64.9	0	0	0	0	113.8	T45 G61 F82 L308 L312	T45-C47 PolarHBondContact O-N 2.89Å; C47-G61 PolarHBondContact N-O 2.76Å; C47-F82 HydrophobicContact CB-CB 3.76Å; C47-F82 HydrophobicContact CB-CD1 4.43Å; C47-F82 HydrophobicContact CB-CD2 3.42Å; C47-F82 VanDerWaalsContact CB-CD2 3.42Å; C47-F82 HydrophobicContact CB-CE2 4.06Å; C47-F82 HydrophobicContact CB-CG 3.63Å; C47-L308 WeakPolarHBondContact O-CD1 3.46Å; C47-L312 HydrophobicContact CB-CD1 4.49Å
48	Y	96.2	Very high	94.2	Very high	42 Å²	42	47.7 Å²	47.7	17%	0.165	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	147	178.7	168.9	-99.5	0	0	0	110.2	G50 G51 L52 L60 G61 Y81 F92	Y48-G50 WeakPolarHBondContact OH-CA 3.34Å; Y48-G51 PolarHBondContact OH-O 3.17Å; Y48-L52 HydrophobicContact CE1-CD2 4.47Å; Y48-L60 CarbonylContact O-C 3.31Å; Y48-L60 VanDerWaalsContact O-CA 3.32Å; Y48-L60 WeakPolarHBondContact O-CA 3.44Å; Y48-G61 PolarHBondContact N-O 2.91Å; Y48-G61 VanDerWaalsContact N-O 3.16Å; Y48-G61 PolarHBondContact O-N 3.35Å; Y48-Y81 HydrophobicContact CD1-CD1 4.47Å; Y48-Y81 HydrophobicContact CD2-CD1 4.26Å; Y48-Y81 AromaticContact CE1-CD1 3.89Å; Y48-Y81 HydrophobicContact CE1-CD1 3.89Å; Y48-Y81 HydrophobicContact CE1-CG 4.46Å; Y48-Y81 AromaticContact CE2-CD1 3.67Å; Y48-Y81 HydrophobicContact CE2-CD1 3.67Å; Y48-Y81 HydrophobicContact CE2-CG 4.5Å; Y48-Y81 AromaticContact CZ-CD1 3.44Å; Y48-Y81 VanDerWaalsContact CZ-CD1 3.44Å; Y48-F92 HydrophobicContact CD1-CD1 4.38Å; Y48-F92 AromaticContact CD1-CE1 3.9Å; Y48-F92 HydrophobicContact CD1-CE1 3.9Å; Y48-F92 HydrophobicContact CE1-CE1 4.33Å
49	V	95.9	Very high	94.2	Very high	15 Å²	15	49.9 Å²	49.9	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	122.2	170.1	-178.2	0	0	0	0	107.7	V28 I32 I33 I46 W59 L60	V28-V49 HydrophobicContact CG1-CG1 3.64Å; I32-V49 HydrophobicContact CD1-CG2 4.18Å; I32-V49 HydrophobicContact CG1-CG2 3.82Å; I33-V49 HydrophobicContact CD1-CG2 4.44Å; I33-V49 HydrophobicContact CG1-CB 4.43Å; I33-V49 HydrophobicContact CG1-CG2 3.77Å; I46-V49 HydrophobicContact CG2-CG2 3.8Å; V49-W59 WeakPolarHBondContact CA-O 3.44Å; V49-L60 HydrophobicContact CB-CD2 4.45Å; V49-L60 HydrophobicContact CG1-CD2 4.21Å; V49-L60 HydrophobicContact CG2-CD2 3.79Å
50	G	95.4	Very high	94.4	Very high	19 Å²	19	47.9 Å²	47.9	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.9	-173.8	177.5	0	0	0	0	0	114.2	Y48 W59	Y48-G50 WeakPolarHBondContact OH-CA 3.34Å; G50-W59 PolarHBondContact N-O 3.38Å; G50-W59 PolarHBondContact O-N 2.8Å
51	G	95	Very high	94.9	Very high	47 Å²	47	42.8 Å²	42.8	49%	0.485	24%	0.242	S	C	.	.			trans	-76.5	158.8	176	0	0	0	0	0	112.5	Y48	Y48-G51 PolarHBondContact OH-O 3.17Å
52	L	95	Very high	95.4	Very high	9 Å²	9	37.2 Å²	37.2	5%	0.047	22%	0.218	C	C	.	.			trans	-120.2	145	166.6	-65.9	175.4	0	0	0	109.7	Y48 K54 T55 W59 Y76 Y81 F92	Y48-L52 HydrophobicContact CE1-CD2 4.47Å; L52-K54 PolarHBondContact O-N 2.8Å; L52-T55 HydrophobicContact CB-CG2 4.18Å; L52-T55 WeakPolarHBondContact CB-OG1 3.34Å; L52-T55 PolarHBondContact O-N 3.4Å; L52-T55 PolarHBondContact O-OG1 3.07Å; L52-W59 HydrophobicContact CD1-CB 4.04Å; L52-W59 HydrophobicContact CD1-CD2 3.8Å; L52-W59 HydrophobicContact CD1-CE3 4.37Å; L52-W59 HydrophobicContact CD1-CG 3.64Å; L52-W59 HydrophobicContact CG-CB 4.13Å; L52-W59 HydrophobicContact CG-CG 3.91Å; L52-Y76 HydrophobicContact CB-CD1 4.16Å; L52-Y76 HydrophobicContact CB-CE1 4.01Å; L52-Y76 HydrophobicContact CD1-CD1 4.43Å; L52-Y76 HydrophobicContact CD1-CD2 4.28Å; L52-Y76 HydrophobicContact CD1-CE2 4.43Å; L52-Y76 HydrophobicContact CD1-CG 4.28Å; L52-Y76 HydrophobicContact CD2-CD1 4.07Å; L52-Y76 HydrophobicContact CD2-CG 4.19Å; L52-Y76 HydrophobicContact CG-CD1 4.46Å; L52-Y81 HydrophobicContact CD2-CD1 4.25Å; L52-Y81 HydrophobicContact CD2-CD2 4.09Å; L52-Y81 HydrophobicContact CD2-CE1 3.95Å; L52-Y81 HydrophobicContact CD2-CE2 3.8Å; L52-Y81 HydrophobicContact CD2-CG 4.32Å; L52-F92 HydrophobicContact CD1-CB 3.73Å; L52-F92 HydrophobicContact CD1-CD1 3.78Å; L52-F92 HydrophobicContact CD1-CD2 4.1Å; L52-F92 HydrophobicContact CD1-CE1 4.44Å; L52-F92 HydrophobicContact CD1-CG 3.58Å; L52-F92 HydrophobicContact CD2-CD1 3.96Å; L52-F92 HydrophobicContact CD2-CE1 3.8Å; L52-F92 HydrophobicContact CD2-CG 4.39Å; L52-F92 HydrophobicContact CD2-CZ 4.13Å; L52-F92 HydrophobicContact CG-CD1 4.29Å
53	P	93.6	Very high	95.6	Very high	50 Å²	50	36 Å²	36	33%	0.325	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	137	177.6	-27.1	32.5	0	0	0	111.9	T55 Y81	P53-T55 PolarHBondContact O-N 2.98Å; P53-Y81 WeakPolarHBondContact CD-OH 3.46Å; P53-Y81 WeakPolarHBondContact CG-OH 3.38Å
54	K	90.9	Very high	95.6	Very high	195 Å²	195	35.3 Å²	35.3	85%	0.848	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	23	177.3	-51.9	167.4	-174.2	153.9	0	114.4	L52 D77	L52-K54 PolarHBondContact O-N 2.8Å; K54-D77 IonicContact NZ-OD2 2.63Å
55	T	93	Very high	95.5	Very high	38 Å²	38	37.4 Å²	37.4	23%	0.233	22%	0.22	C	C	.	.			trans	-127	153.9	174.2	73.5	0	0	0	0	111.3	L52 P53 W59	L52-T55 HydrophobicContact CB-CG2 4.18Å; L52-T55 WeakPolarHBondContact CB-OG1 3.34Å; L52-T55 PolarHBondContact O-N 3.4Å; L52-T55 PolarHBondContact O-OG1 3.07Å; P53-T55 PolarHBondContact O-N 2.98Å; T55-W59 HydrophobicContact CG2-CZ2 4.19Å; T55-W59 PolarHBondContact OG1-NE1 3.5Å
56	N	91.2	Very high	95.3	Very high	144 Å²	144	40.6 Å²	40.6	77%	0.77	24%	0.236	S	C	*	.			trans	-96.2	142.3	177.8	-66.3	-25.4	0	0	0	111.4	R94	N56-R94 PolarHBondContact O-NH1 3.41Å; N56-R94 PolarHBondContact O-NH2 3.44Å
57	G	91.7	Very high	94.9	Very high	48 Å²	48	46.8 Å²	46.8	50%	0.495	26%	0.26	S	S	.	.	S	Bend	trans	72.2	173.2	173	0	0	0	0	0	114.8	R94	G57-R94 PolarHBondContact O-NH1 3.29Å
58	P	94.8	Very high	94.7	Very high	58 Å²	58	51 Å²	51	38%	0.377	29%	0.289	S	S	.	.			trans	-74.4	153.7	-174	31.2	-35.7	0	0	0	112.4	V28 R94 P95	V28-P58 HydrophobicContact CB-CG 4.23Å; V28-P58 HydrophobicContact CG1-CB 3.68Å; V28-P58 HydrophobicContact CG1-CG 3.83Å; P58-R94 PolarHBondContact O-NH1 3.31Å; P58-P95 HydrophobicContact CG-CG 4.37Å
59	W	97.3	Very high	94.5	Very high	47 Å²	47	52.1 Å²	52.1	18%	0.178	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148	172.3	-69.4	87.4	0	0	0	109.8	V49 G50 L52 T55 F92 R94	V49-W59 WeakPolarHBondContact CA-O 3.44Å; G50-W59 PolarHBondContact N-O 3.38Å; G50-W59 PolarHBondContact O-N 2.8Å; L52-W59 HydrophobicContact CD1-CB 4.04Å; L52-W59 HydrophobicContact CD1-CD2 3.8Å; L52-W59 HydrophobicContact CD1-CE3 4.37Å; L52-W59 HydrophobicContact CD1-CG 3.64Å; L52-W59 HydrophobicContact CG-CB 4.13Å; L52-W59 HydrophobicContact CG-CG 3.91Å; T55-W59 HydrophobicContact CG2-CZ2 4.19Å; T55-W59 PolarHBondContact OG1-NE1 3.5Å; W59-F92 HydrophobicContact CD2-CB 4.45Å; W59-F92 HydrophobicContact CE3-CB 3.82Å; W59-F92 HydrophobicContact CZ3-CB 4.34Å; W59-F92 WeakPolarHBondContact CZ3-O 3.34Å; W59-R94 HydrophobicContact CH2-CG 4.44Å; W59-R94 VanDerWaalsContact CZ2-NE 3.35Å; W59-R94 HydrophobicContact CZ3-CG 4.25Å
60	L	97.8	Very high	94.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.4	167.8	-51.7	180	0	0	0	107.8	I25 V28 I32 I46 Y48 V49 V62 F92 V93 P95 V98	I25-L60 HydrophobicContact CD1-CD1 3.83Å; V28-L60 HydrophobicContact CG1-CD2 4.08Å; I32-L60 HydrophobicContact CD1-CD2 3.85Å; I46-L60 HydrophobicContact CD1-CD1 4.29Å; I46-L60 HydrophobicContact CG1-CD1 4.49Å; I46-L60 HydrophobicContact CG2-CD2 4.42Å; Y48-L60 CarbonylContact O-C 3.31Å; Y48-L60 VanDerWaalsContact O-CA 3.32Å; Y48-L60 WeakPolarHBondContact O-CA 3.44Å; V49-L60 HydrophobicContact CB-CD2 4.45Å; V49-L60 HydrophobicContact CG1-CD2 4.21Å; V49-L60 HydrophobicContact CG2-CD2 3.79Å; L60-V62 HydrophobicContact CB-CG2 4.17Å; L60-F92 CarbonylContact O-C 3.43Å; L60-F92 VanDerWaalsContact O-CA 3.3Å; L60-F92 WeakPolarHBondContact O-CA 3.48Å; L60-V93 HydrophobicContact CB-CG2 3.97Å; L60-V93 PolarHBondContact N-O 3.27Å; L60-V93 PolarHBondContact O-N 2.8Å; L60-P95 HydrophobicContact CD1-CB 4.26Å; L60-P95 HydrophobicContact CD1-CG 4.32Å; L60-P95 HydrophobicContact CD2-CG 4.24Å; L60-P95 HydrophobicContact CG-CB 4.48Å; L60-P95 HydrophobicContact CG-CG 4.01Å; L60-V98 HydrophobicContact CD1-CG2 3.74Å
61	G	97.6	Very high	94.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.7	161.4	0	0	0	0	0	108.3	I46 C47 Y48 F82 S91	I46-G61 CarbonylContact C-O 3.54Å; C47-G61 PolarHBondContact N-O 2.76Å; Y48-G61 PolarHBondContact N-O 2.91Å; Y48-G61 VanDerWaalsContact N-O 3.16Å; Y48-G61 PolarHBondContact O-N 3.35Å; G61-F82 VanDerWaalsContact CA-CE1 3.43Å; G61-S91 CarbonylContact C-O 3.54Å; G61-S91 WeakPolarHBondContact CA-O 3.39Å
62	V	98	Very high	94.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132	-176.1	175.1	0	0	0	0	109	I37 T45 L60 W64 G90 S91 V93	I37-V62 HydrophobicContact CD1-CB 4.45Å; I37-V62 HydrophobicContact CD1-CG1 3.84Å; I37-V62 HydrophobicContact CD1-CG2 3.72Å; I37-V62 HydrophobicContact CG1-CG1 4.3Å; T45-V62 CarbonylContact O-C 3.48Å; T45-V62 VanDerWaalsContact O-CA 3.29Å; T45-V62 WeakPolarHBondContact O-CA 3.05Å; L60-V62 HydrophobicContact CB-CG2 4.17Å; V62-W64 HydrophobicContact CB-CZ2 4.48Å; V62-W64 HydrophobicContact CG1-CD2 3.83Å; V62-W64 HydrophobicContact CG1-CE3 4.14Å; V62-W64 HydrophobicContact CG1-CG 4.3Å; V62-W64 HydrophobicContact CG1-CH2 4.21Å; V62-W64 HydrophobicContact CG1-CZ2 3.95Å; V62-W64 HydrophobicContact CG1-CZ3 4.31Å; V62-G90 CarbonylContact O-C 3.58Å; V62-G90 VanDerWaalsContact O-CA 3.23Å; V62-G90 WeakPolarHBondContact O-CA 3.5Å; V62-S91 PolarHBondContact N-O 2.86Å; V62-S91 PolarHBondContact O-N 3.45Å; V62-V93 HydrophobicContact CG2-CG2 3.59Å
63	D	97.3	Very high	94.5	Very high	9 Å²	9	62.1 Å²	62.1	5%	0.048	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	110.5	165.7	-169.1	16.3	0	0	0	109.4	G44 T45 F82 K85 S89	G44-D63 CarbonylContact C-O 3.51Å; G44-D63 VanDerWaalsContact CA-O 3.32Å; G44-D63 WeakPolarHBondContact CA-O 3.43Å; T45-D63 PolarHBondContact N-O 3.15Å; T45-D63 PolarHBondContact O-N 3.43Å; D63-F82 HydrophobicContact CB-CE2 4.3Å; D63-K85 WeakPolarHBondContact OD2-CB 3.1Å; D63-K85 WeakPolarHBondContact OD2-CG 3.47Å; D63-K85 PolarHBondContact OD2-N 2.62Å; D63-S89 WeakPolarHBondContact OD1-CB 3.49Å; D63-S89 PolarHBondContact OD1-OG 3.44Å
64	W	97.4	Very high	94.6	Very high	3 Å²	3	59.7 Å²	59.7	1%	0.011	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	145.7	-175.3	-66.2	107.1	0	0	0	112.1	I37 H39 N42 V62 D66 R69 K85 S89 S91 V93 V98	I37-W64 HydrophobicContact CD1-CH2 3.76Å; I37-W64 HydrophobicContact CD1-CZ3 4.08Å; H39-W64 HydrophobicContact CB-CH2 3.64Å; H39-W64 HydrophobicContact CB-CZ3 4.15Å; N42-W64 HydrophobicContact CB-CE3 4.12Å; N42-W64 HydrophobicContact CB-CZ3 4.16Å; N42-W64 WeakPolarHBondContact O-CZ3 3.5Å; V62-W64 HydrophobicContact CB-CZ2 4.48Å; V62-W64 HydrophobicContact CG1-CD2 3.83Å; V62-W64 HydrophobicContact CG1-CE3 4.14Å; V62-W64 HydrophobicContact CG1-CG 4.3Å; V62-W64 HydrophobicContact CG1-CH2 4.21Å; V62-W64 HydrophobicContact CG1-CZ2 3.95Å; V62-W64 HydrophobicContact CG1-CZ3 4.31Å; W64-D66 WeakPolarHBondContact CB-O 3.34Å; W64-R69 HydrophobicContact CB-CB 4.05Å; W64-R69 HydrophobicContact CB-CG 4.29Å; W64-R69 HydrophobicContact CD2-CB 4.38Å; W64-R69 HydrophobicContact CD2-CG 3.63Å; W64-R69 HydrophobicContact CE3-CG 4.1Å; W64-R69 HydrophobicContact CG-CB 3.95Å; W64-R69 HydrophobicContact CG-CG 3.69Å; W64-K85 WeakPolarHBondContact O-CE 3.22Å; W64-K85 PolarHBondContact O-NZ 2.71Å; W64-S89 WeakPolarHBondContact CB-O 3.46Å; W64-S89 VanDerWaalsContact CD1-O 3.23Å; W64-S89 PolarHBondContact N-O 2.87Å; W64-S91 PolarHBondContact NE1-OG 2.84Å; W64-S91 VanDerWaalsContact NE1-OG 3.14Å; W64-V93 HydrophobicContact CZ2-CG1 4.25Å; W64-V98 HydrophobicContact CH2-CG1 4.39Å
65	D	95.1	Very high	94.9	Very high	43 Å²	43	52.4 Å²	52.4	23%	0.23	27%	0.272	C	S	.	.	S	Bend	trans	-67.2	-42.9	175.1	-80.6	-5	0	0	0	112.5	R36 F43 K85 R288	R36-D65 IonicContact CZ-OD1 2.74Å; R36-D65 IonicContact CZ-OD2 2.78Å; R36-D65 IonicContact NH1-OD1 3.12Å; R36-D65 PolarHBondContact NH1-OD1 3.09Å; R36-D65 IonicContact NH1-OD2 3.67Å; R36-D65 PolarHBondContact NH1-OD2 3.33Å; R36-D65 IonicContact NH2-OD1 2.69Å; R36-D65 IonicContact NH2-OD2 3.73Å; R36-D65 PolarHBondContact NH2-OD2 3.24Å; F43-D65 WeakPolarHBondContact O-CB 3.43Å; F43-D65 PolarHBondContact O-N 3.3Å; D65-K85 VanDerWaalsContact C-NZ 3.31Å; D65-K85 PolarHBondContact O-NZ 3.41Å; D65-K85 IonicContact OD1-NZ 3.74Å; D65-R288 IonicContact OD1-CZ 2.75Å; D65-R288 IonicContact OD1-NE 3.31Å; D65-R288 IonicContact OD1-NH2 3.64Å; D65-R288 PolarHBondContact OD1-NH2 2.91Å
66	D	93.1	Very high	95	Very high	78 Å²	78	54.4 Å²	54.4	42%	0.417	28%	0.276	S	S	.	.	S	Bend	trans	-81.5	121.4	167	-177.2	-3.1	0	0	0	110.6	W64 S68 R69	W64-D66 WeakPolarHBondContact CB-O 3.34Å; D66-S68 PolarHBondContact O-N 3.23Å; D66-S68 WeakPolarHBondContact OD1-CB 3.42Å; D66-S68 PolarHBondContact OD1-N 2.93Å; D66-S68 PolarHBondContact OD1-OG 2.93Å; D66-S68 PolarHBondContact OD2-OG 2.82Å; D66-R69 HydrophobicContact CB-CB 4.4Å; D66-R69 WeakPolarHBondContact O-CB 3.5Å; D66-R69 PolarHBondContact O-N 2.81Å
67	W	91	Very high	95.1	Very high	131 Å²	131	52.6 Å²	52.6	50%	0.496	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-20.6	-177.7	-65.1	30.9	0	0	0	112.5	R69 K85 T88	W67-R69 VanDerWaalsContact C-N 3.28Å; W67-K85 VanDerWaalsContact CD1-CE 3.46Å; W67-K85 HydrophobicContact CZ2-CG 4.45Å; W67-T88 CarbonylContact O-C 3.59Å; W67-T88 VanDerWaalsContact O-O 3.09Å; W67-T88 PolarHBondContact O-OG1 3.08Å
68	S	91.4	Very high	95.2	Very high	95 Å²	95	54.2 Å²	54.2	66%	0.664	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.4	177.4	80.1	0	0	0	0	112.7	D66	D66-S68 PolarHBondContact O-N 3.23Å; D66-S68 WeakPolarHBondContact OD1-CB 3.42Å; D66-S68 PolarHBondContact OD1-N 2.93Å; D66-S68 PolarHBondContact OD1-OG 2.93Å; D66-S68 PolarHBondContact OD2-OG 2.82Å
69	R	93.1	Very high	95.2	Very high	65 Å²	65	54.9 Å²	54.9	25%	0.245	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-32.6	-177.3	-177.6	64.1	-168.1	-147.1	22.2	113.1	H39 E40 N42 W64 D66 W67	H39-R69 PolarHBondContact CE1-NH2 3.01Å; H39-R69 PolarHBondContact ND1-NH2 3.39Å; E40-R69 IonicContact OE2-CZ 3.98Å; E40-R69 IonicContact OE2-NH1 3.21Å; E40-R69 PolarHBondContact OE2-NH1 2.83Å; E40-R69 IonicContact OE2-NH2 2.8Å; E40-R69 PolarHBondContact OE2-NH2 3.38Å; N42-R69 HydrophobicContact CB-CG 4.14Å; N42-R69 PolarHBondContact ND2-NH1 3Å; W64-R69 HydrophobicContact CB-CB 4.05Å; W64-R69 HydrophobicContact CB-CG 4.29Å; W64-R69 HydrophobicContact CD2-CB 4.38Å; W64-R69 HydrophobicContact CD2-CG 3.63Å; W64-R69 HydrophobicContact CE3-CG 4.1Å; W64-R69 HydrophobicContact CG-CB 3.95Å; W64-R69 HydrophobicContact CG-CG 3.69Å; D66-R69 HydrophobicContact CB-CB 4.4Å; D66-R69 WeakPolarHBondContact O-CB 3.5Å; D66-R69 PolarHBondContact O-N 2.81Å; W67-R69 VanDerWaalsContact C-N 3.28Å
70	G	93	Very high	95.1	Very high	11 Å²	11	58.3 Å²	58.3	11%	0.113	30%	0.299	C	S	.	.			trans	-79.6	-171.3	-177.4	0	0	0	0	0	113.1	T88 G90 S91	G70-T88 CarbonylContact C-O 3.59Å; G70-T88 WeakPolarHBondContact CA-O 3.49Å; G70-T88 PolarHBondContact N-O 3.22Å; G70-G90 CarbonylContact C-O 3.47Å; G70-G90 WeakPolarHBondContact CA-O 3.28Å; G70-S91 WeakPolarHBondContact CA-OG 3.21Å
71	R	95.2	Very high	94.9	Very high	213 Å²	213	60.3 Å²	60.3	80%	0.804	31%	0.306	S	S	*	.			trans	-139.9	-22.8	-172.6	-59.8	-172.5	-178.1	-158.4	-1.4	114.1	T88 G90	R71-T88 PolarHBondContact N-O 3.33Å; R71-G90 PolarHBondContact N-O 2.93Å
72	H	95.9	Very high	94.8	Very high	36 Å²	36	60.5 Å²	60.5	17%	0.167	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-152.3	178.7	-173	55.2	63.3	0	0	0	111.8	G74 F82 P87 T88 S89 G90 S91 F92	H72-G74 WeakPolarHBondContact ND1-CA 3.46Å; H72-G74 PolarHBondContact ND1-N 3.46Å; H72-F82 AromaticContact CE1-CZ 3.98Å; H72-P87 CarbonylContact C-O 3.51Å; H72-P87 WeakPolarHBondContact CA-O 3.46Å; H72-T88 CarbonylContact O-C 3.58Å; H72-S89 PolarHBondContact O-N 3.23Å; H72-G90 PolarHBondContact N-O 3.02Å; H72-G90 VanDerWaalsContact N-O 3.13Å; H72-G90 PolarHBondContact ND1-O 3.44Å; H72-G90 WeakPolarHBondContact O-CA 3.29Å; H72-G90 PolarHBondContact O-N 3.28Å; H72-S91 WeakPolarHBondContact CE1-CA 3.49Å; H72-S91 PolarHBondContact CE1-N 3.06Å; H72-S91 VanDerWaalsContact CE1-N 3.29Å; H72-S91 WeakPolarHBondContact NE2-CA 3.3Å; H72-F92 AromaticContact CE1-CD2 3.52Å; H72-F92 AromaticContact CE1-CE2 3.41Å; H72-F92 VanDerWaalsContact CE1-CE2 3.41Å; H72-F92 WeakPolarHBondContact CE1-CE2 3.32Å; H72-F92 AromaticContact NE2-CD2 3.1Å; H72-F92 WeakPolarHBondContact NE2-CD2 3.39Å; H72-F92 AromaticContact NE2-CE2 3.42Å; H72-F92 WeakPolarHBondContact NE2-CE2 3.46Å; H72-F92 PolarHBondContact NE2-N 3.4Å
73	D	96.1	Very high	94.6	Very high	40 Å²	40	66.5 Å²	66.5	21%	0.214	34%	0.335	C	S	.	.	S	Bend	trans	-93.2	4.5	-178.9	73.8	-27.7	0	0	0	113.9	T75 R80 A84 P87	D73-T75 WeakPolarHBondContact OD1-CB 3.23Å; D73-T75 VanDerWaalsContact OD1-CG2 3.29Å; D73-T75 WeakPolarHBondContact OD1-CG2 3.32Å; D73-T75 PolarHBondContact OD1-N 3.14Å; D73-T75 VanDerWaalsContact OD1-N 3.15Å; D73-T75 PolarHBondContact OD1-OG1 2.81Å; D73-R80 PolarHBondContact O-NH1 2.59Å; D73-R80 IonicContact OD1-NH1 3.27Å; D73-R80 IonicContact OD2-CZ 2.66Å; D73-R80 VanDerWaalsContact OD2-CZ 3.31Å; D73-R80 IonicContact OD2-NH1 3.87Å; D73-R80 PolarHBondContact OD2-NH1 3.34Å; D73-R80 IonicContact OD2-NH2 2.72Å; D73-R80 PolarHBondContact OD2-NH2 2.98Å; D73-A84 WeakPolarHBondContact O-CB 3.34Å; D73-A84 PolarHBondContact O-N 2.9Å; D73-P87 PolarHBondContact N-O 3.04Å
74	G	95.9	Very high	94.5	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	107.9	5.3	-177.3	0	0	0	0	0	113.8	H72 Y81 F82	H72-G74 WeakPolarHBondContact ND1-CA 3.46Å; H72-G74 PolarHBondContact ND1-N 3.46Å; G74-Y81 PolarHBondContact O-N 3.02Å; G74-F82 WeakPolarHBondContact CA-O 3.14Å; G74-F82 PolarHBondContact O-N 2.72Å
75	T	96.6	Very high	94.2	Very high	41 Å²	41	69.8 Å²	69.8	25%	0.252	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	148.2	172.2	59	0	0	0	0	113.1	D73 V79 R80	D73-T75 WeakPolarHBondContact OD1-CB 3.23Å; D73-T75 VanDerWaalsContact OD1-CG2 3.29Å; D73-T75 WeakPolarHBondContact OD1-CG2 3.32Å; D73-T75 PolarHBondContact OD1-N 3.14Å; D73-T75 VanDerWaalsContact OD1-N 3.15Å; D73-T75 PolarHBondContact OD1-OG1 2.81Å; T75-V79 CarbonylContact C-O 3.44Å; T75-V79 WeakPolarHBondContact CA-O 3.36Å; T75-R80 HydrophobicContact CG2-CB 3.9Å; T75-R80 HydrophobicContact CG2-CG 4.22Å
76	Y	95.4	Very high	94	Very high	81 Å²	81	68.1 Å²	68.1	32%	0.318	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	128.8	169.2	179.2	-91.8	0	0	0	109.3	L52 G78 V79 F92	L52-Y76 HydrophobicContact CB-CD1 4.16Å; L52-Y76 HydrophobicContact CB-CE1 4.01Å; L52-Y76 HydrophobicContact CD1-CD1 4.43Å; L52-Y76 HydrophobicContact CD1-CD2 4.28Å; L52-Y76 HydrophobicContact CD1-CE2 4.43Å; L52-Y76 HydrophobicContact CD1-CG 4.28Å; L52-Y76 HydrophobicContact CD2-CD1 4.07Å; L52-Y76 HydrophobicContact CD2-CG 4.19Å; L52-Y76 HydrophobicContact CG-CD1 4.46Å; Y76-G78 VanDerWaalsContact C-N 3.26Å; Y76-G78 PolarHBondContact O-N 2.85Å; Y76-V79 PolarHBondContact N-O 3.12Å; Y76-V79 PolarHBondContact O-N 3.35Å; Y76-F92 HydrophobicContact CD2-CD2 4.34Å; Y76-F92 HydrophobicContact CG-CE2 4.43Å
77	D	93.5	Very high	94	Very high	106 Å²	106	68.8 Å²	68.8	57%	0.567	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	42.8	-178.2	-154.6	17.2	0	0	0	113.3	K54 V79	K54-D77 IonicContact NZ-OD2 2.63Å; D77-V79 PolarHBondContact O-N 3.46Å
78	G	93.1	Very high	94.2	Very high	81 Å²	81	65.6 Å²	65.6	84%	0.835	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	-5.1	-179.7	0	0	0	0	0	115.6	Y76	Y76-G78 VanDerWaalsContact C-N 3.26Å; Y76-G78 PolarHBondContact O-N 2.85Å
79	V	95.2	Very high	94.4	Very high	72 Å²	72	61.1 Å²	61.1	44%	0.436	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131.9	178.4	-178.4	0	0	0	0	110.1	T75 Y76 D77 Y81	T75-V79 CarbonylContact C-O 3.44Å; T75-V79 WeakPolarHBondContact CA-O 3.36Å; Y76-V79 PolarHBondContact N-O 3.12Å; Y76-V79 PolarHBondContact O-N 3.35Å; D77-V79 PolarHBondContact O-N 3.46Å; V79-Y81 HydrophobicContact CB-CE2 3.79Å; V79-Y81 HydrophobicContact CG1-CD2 4.4Å; V79-Y81 HydrophobicContact CG1-CE1 4.49Å; V79-Y81 HydrophobicContact CG1-CE2 3.86Å; V79-Y81 WeakPolarHBondContact O-CD2 3.39Å; V79-Y81 WeakPolarHBondContact O-CE2 3.39Å
80	R	94.9	Very high	94.6	Very high	120 Å²	120	58 Å²	58	45%	0.453	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	122	174.1	-173	174.6	-62.2	-71.2	-4.8	110.1	D73 T75 F82	D73-R80 PolarHBondContact O-NH1 2.59Å; D73-R80 IonicContact OD1-NH1 3.27Å; D73-R80 IonicContact OD2-CZ 2.66Å; D73-R80 VanDerWaalsContact OD2-CZ 3.31Å; D73-R80 IonicContact OD2-NH1 3.87Å; D73-R80 PolarHBondContact OD2-NH1 3.34Å; D73-R80 IonicContact OD2-NH2 2.72Å; D73-R80 PolarHBondContact OD2-NH2 2.98Å; T75-R80 HydrophobicContact CG2-CB 3.9Å; T75-R80 HydrophobicContact CG2-CG 4.22Å; R80-F82 WeakPolarHBondContact CG-O 3.49Å
81	Y	94.5	Very high	94.9	Very high	41 Å²	41	57.8 Å²	57.8	16%	0.161	30%	0.3	C	S	.	.	S	Bend	trans	-101.8	-29.5	178	-67.8	-91	0	0	0	112.6	Y48 L52 P53 G74 V79 F92	Y48-Y81 HydrophobicContact CD1-CD1 4.47Å; Y48-Y81 HydrophobicContact CD2-CD1 4.26Å; Y48-Y81 AromaticContact CE1-CD1 3.89Å; Y48-Y81 HydrophobicContact CE1-CD1 3.89Å; Y48-Y81 HydrophobicContact CE1-CG 4.46Å; Y48-Y81 AromaticContact CE2-CD1 3.67Å; Y48-Y81 HydrophobicContact CE2-CD1 3.67Å; Y48-Y81 HydrophobicContact CE2-CG 4.5Å; Y48-Y81 AromaticContact CZ-CD1 3.44Å; Y48-Y81 VanDerWaalsContact CZ-CD1 3.44Å; L52-Y81 HydrophobicContact CD2-CD1 4.25Å; L52-Y81 HydrophobicContact CD2-CD2 4.09Å; L52-Y81 HydrophobicContact CD2-CE1 3.95Å; L52-Y81 HydrophobicContact CD2-CE2 3.8Å; L52-Y81 HydrophobicContact CD2-CG 4.32Å; P53-Y81 WeakPolarHBondContact CD-OH 3.46Å; P53-Y81 WeakPolarHBondContact CG-OH 3.38Å; G74-Y81 PolarHBondContact O-N 3.02Å; V79-Y81 HydrophobicContact CB-CE2 3.79Å; V79-Y81 HydrophobicContact CG1-CD2 4.4Å; V79-Y81 HydrophobicContact CG1-CE1 4.49Å; V79-Y81 HydrophobicContact CG1-CE2 3.86Å; V79-Y81 WeakPolarHBondContact O-CD2 3.39Å; V79-Y81 WeakPolarHBondContact O-CE2 3.39Å; Y81-F92 HydrophobicContact CD2-CE1 4.28Å; Y81-F92 AromaticContact CD2-CZ 3.69Å; Y81-F92 HydrophobicContact CD2-CZ 3.69Å; Y81-F92 HydrophobicContact CG-CE1 4.13Å; Y81-F92 AromaticContact CG-CZ 3.92Å; Y81-F92 HydrophobicContact CG-CZ 3.92Å
82	F	94.7	Very high	95	Very high	5 Å²	5	48.9 Å²	48.9	2%	0.022	27%	0.267	C	S	.	.	S	Bend	trans	-153.7	166.8	172.2	64.2	-80.5	0	0	0	109.5	C47 G61 D63 H72 G74 R80 A84 F92 L308	C47-F82 HydrophobicContact CB-CB 3.76Å; C47-F82 HydrophobicContact CB-CD1 4.43Å; C47-F82 HydrophobicContact CB-CD2 3.42Å; C47-F82 VanDerWaalsContact CB-CD2 3.42Å; C47-F82 HydrophobicContact CB-CE2 4.06Å; C47-F82 HydrophobicContact CB-CG 3.63Å; G61-F82 VanDerWaalsContact CA-CE1 3.43Å; D63-F82 HydrophobicContact CB-CE2 4.3Å; H72-F82 AromaticContact CE1-CZ 3.98Å; G74-F82 WeakPolarHBondContact CA-O 3.14Å; G74-F82 PolarHBondContact O-N 2.72Å; R80-F82 WeakPolarHBondContact CG-O 3.49Å; F82-A84 HydrophobicContact CD2-CB 4.43Å; F82-A84 HydrophobicContact CE2-CB 3.96Å; F82-F92 HydrophobicContact CD1-CE1 4.26Å; F82-F92 HydrophobicContact CD1-CZ 4.24Å; F82-F92 AromaticContact CE1-CE1 3.85Å; F82-F92 HydrophobicContact CE1-CE1 3.85Å; F82-F92 HydrophobicContact CE1-CE2 4.41Å; F82-F92 AromaticContact CE1-CZ 3.79Å; F82-F92 HydrophobicContact CE1-CZ 3.79Å; F82-L308 HydrophobicContact CB-CD2 4.24Å
83	Q	94.3	Very high	95	Very high	125 Å²	125	48.3 Å²	48.3	58%	0.584	27%	0.266	S	S	*	.			trans	-100.5	109.9	172.8	-176.4	58.5	54.4	0	0	108.9
84	A	94.4	Very high	95	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.033	27%	0.27	C	S	.	.			trans	-76.6	153.6	171.6	0	0	0	0	0	110.5	D73 F82 G86 S89	D73-A84 WeakPolarHBondContact O-CB 3.34Å; D73-A84 PolarHBondContact O-N 2.9Å; F82-A84 HydrophobicContact CD2-CB 4.43Å; F82-A84 HydrophobicContact CE2-CB 3.96Å; A84-G86 VanDerWaalsContact C-N 3.26Å; A84-G86 PolarHBondContact O-N 2.75Å; A84-S89 WeakPolarHBondContact CB-OG 3.37Å
85	K	91.8	Very high	95	Very high	78 Å²	78	50.9 Å²	50.9	34%	0.339	28%	0.275	S	S	.	.	S	Bend	trans	-68.5	-21.7	178.6	70	-172.3	175.6	169.5	0	114.4	D63 W64 D65 W67	D63-K85 WeakPolarHBondContact OD2-CB 3.1Å; D63-K85 WeakPolarHBondContact OD2-CG 3.47Å; D63-K85 PolarHBondContact OD2-N 2.62Å; W64-K85 WeakPolarHBondContact O-CE 3.22Å; W64-K85 PolarHBondContact O-NZ 2.71Å; D65-K85 VanDerWaalsContact C-NZ 3.31Å; D65-K85 PolarHBondContact O-NZ 3.41Å; D65-K85 IonicContact OD1-NZ 3.74Å; W67-K85 VanDerWaalsContact CD1-CE 3.46Å; W67-K85 HydrophobicContact CZ2-CG 4.45Å
86	G	90.3	Very high	94.9	Very high	7 Å²	7	54.2 Å²	54.2	7%	0.072	30%	0.3	C	S	.	.	S	Bend	trans	-137.7	164	-180	0	0	0	0	0	111.9	A84 T88 S89	A84-G86 VanDerWaalsContact C-N 3.26Å; A84-G86 PolarHBondContact O-N 2.75Å; G86-T88 PolarHBondContact O-N 2.83Å; G86-T88 VanDerWaalsContact O-N 3.16Å; G86-S89 PolarHBondContact N-OG 3.37Å; G86-S89 PolarHBondContact O-N 2.83Å; G86-S89 PolarHBondContact O-OG 3.24Å
87	P	93.5	Very high	94.9	Very high	92 Å²	92	56.9 Å²	56.9	60%	0.597	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.3	-176.7	26.4	-35.1	0	0	0	113.4	H72 D73	H72-P87 CarbonylContact C-O 3.51Å; H72-P87 WeakPolarHBondContact CA-O 3.46Å; D73-P87 PolarHBondContact N-O 3.04Å
88	T	95.1	Very high	95	Very high	65 Å²	65	52.4 Å²	52.4	40%	0.399	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	13.2	-178.2	61.2	0	0	0	0	112.8	W67 G70 R71 H72 G86	W67-T88 CarbonylContact O-C 3.59Å; W67-T88 VanDerWaalsContact O-O 3.09Å; W67-T88 PolarHBondContact O-OG1 3.08Å; G70-T88 CarbonylContact C-O 3.59Å; G70-T88 WeakPolarHBondContact CA-O 3.49Å; G70-T88 PolarHBondContact N-O 3.22Å; R71-T88 PolarHBondContact N-O 3.33Å; H72-T88 CarbonylContact O-C 3.58Å; G86-T88 PolarHBondContact O-N 2.83Å; G86-T88 VanDerWaalsContact O-N 3.16Å
89	S	96.3	Very high	95.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.			trans	-86.4	-18.1	-176	65	0	0	0	0	113.5	D63 W64 H72 A84 G86	D63-S89 WeakPolarHBondContact OD1-CB 3.49Å; D63-S89 PolarHBondContact OD1-OG 3.44Å; W64-S89 WeakPolarHBondContact CB-O 3.46Å; W64-S89 VanDerWaalsContact CD1-O 3.23Å; W64-S89 PolarHBondContact N-O 2.87Å; H72-S89 PolarHBondContact O-N 3.23Å; A84-S89 WeakPolarHBondContact CB-OG 3.37Å; G86-S89 PolarHBondContact N-OG 3.37Å; G86-S89 PolarHBondContact O-N 2.83Å; G86-S89 PolarHBondContact O-OG 3.24Å
90	G	97.5	Very high	95.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	149.8	-179.8	0	0	0	0	0	113.9	V62 G70 R71 H72	V62-G90 CarbonylContact O-C 3.58Å; V62-G90 VanDerWaalsContact O-CA 3.23Å; V62-G90 WeakPolarHBondContact O-CA 3.5Å; G70-G90 CarbonylContact C-O 3.47Å; G70-G90 WeakPolarHBondContact CA-O 3.28Å; R71-G90 PolarHBondContact N-O 2.93Å; H72-G90 PolarHBondContact N-O 3.02Å; H72-G90 VanDerWaalsContact N-O 3.13Å; H72-G90 PolarHBondContact ND1-O 3.44Å; H72-G90 WeakPolarHBondContact O-CA 3.29Å; H72-G90 PolarHBondContact O-N 3.28Å
91	S	97.7	Very high	95.3	Very high	6 Å²	6	40.5 Å²	40.5	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	150.3	167.5	-69.4	0	0	0	0	111.5	G61 V62 W64 G70 H72	G61-S91 CarbonylContact C-O 3.54Å; G61-S91 WeakPolarHBondContact CA-O 3.39Å; V62-S91 PolarHBondContact N-O 2.86Å; V62-S91 PolarHBondContact O-N 3.45Å; W64-S91 PolarHBondContact NE1-OG 2.84Å; W64-S91 VanDerWaalsContact NE1-OG 3.14Å; G70-S91 WeakPolarHBondContact CA-OG 3.21Å; H72-S91 WeakPolarHBondContact CE1-CA 3.49Å; H72-S91 PolarHBondContact CE1-N 3.06Å; H72-S91 VanDerWaalsContact CE1-N 3.29Å; H72-S91 WeakPolarHBondContact NE2-CA 3.3Å
92	F	97.4	Very high	95.2	Very high	27 Å²	27	38.6 Å²	38.6	12%	0.118	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.2	160	-64.5	-79.6	0	0	0	110	Y48 L52 W59 L60 H72 Y76 Y81 F82	Y48-F92 HydrophobicContact CD1-CD1 4.38Å; Y48-F92 AromaticContact CD1-CE1 3.9Å; Y48-F92 HydrophobicContact CD1-CE1 3.9Å; Y48-F92 HydrophobicContact CE1-CE1 4.33Å; L52-F92 HydrophobicContact CD1-CB 3.73Å; L52-F92 HydrophobicContact CD1-CD1 3.78Å; L52-F92 HydrophobicContact CD1-CD2 4.1Å; L52-F92 HydrophobicContact CD1-CE1 4.44Å; L52-F92 HydrophobicContact CD1-CG 3.58Å; L52-F92 HydrophobicContact CD2-CD1 3.96Å; L52-F92 HydrophobicContact CD2-CE1 3.8Å; L52-F92 HydrophobicContact CD2-CG 4.39Å; L52-F92 HydrophobicContact CD2-CZ 4.13Å; L52-F92 HydrophobicContact CG-CD1 4.29Å; W59-F92 HydrophobicContact CD2-CB 4.45Å; W59-F92 HydrophobicContact CE3-CB 3.82Å; W59-F92 HydrophobicContact CZ3-CB 4.34Å; W59-F92 WeakPolarHBondContact CZ3-O 3.34Å; L60-F92 CarbonylContact O-C 3.43Å; L60-F92 VanDerWaalsContact O-CA 3.3Å; L60-F92 WeakPolarHBondContact O-CA 3.48Å; H72-F92 AromaticContact CE1-CD2 3.52Å; H72-F92 AromaticContact CE1-CE2 3.41Å; H72-F92 VanDerWaalsContact CE1-CE2 3.41Å; H72-F92 WeakPolarHBondContact CE1-CE2 3.32Å; H72-F92 AromaticContact NE2-CD2 3.1Å; H72-F92 WeakPolarHBondContact NE2-CD2 3.39Å; H72-F92 AromaticContact NE2-CE2 3.42Å; H72-F92 WeakPolarHBondContact NE2-CE2 3.46Å; H72-F92 PolarHBondContact NE2-N 3.4Å; Y76-F92 HydrophobicContact CD2-CD2 4.34Å; Y76-F92 HydrophobicContact CG-CE2 4.43Å; Y81-F92 HydrophobicContact CD2-CE1 4.28Å; Y81-F92 AromaticContact CD2-CZ 3.69Å; Y81-F92 HydrophobicContact CD2-CZ 3.69Å; Y81-F92 HydrophobicContact CG-CE1 4.13Å; Y81-F92 AromaticContact CG-CZ 3.92Å; Y81-F92 HydrophobicContact CG-CZ 3.92Å; F82-F92 HydrophobicContact CD1-CE1 4.26Å; F82-F92 HydrophobicContact CD1-CZ 4.24Å; F82-F92 AromaticContact CE1-CE1 3.85Å; F82-F92 HydrophobicContact CE1-CE1 3.85Å; F82-F92 HydrophobicContact CE1-CE2 4.41Å; F82-F92 AromaticContact CE1-CZ 3.79Å; F82-F92 HydrophobicContact CE1-CZ 3.79Å
93	V	96.8	Very high	95.1	Very high	23 Å²	23	38.3 Å²	38.3	14%	0.139	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	153.4	-178	-60	0	0	0	0	111.5	L60 V62 W64 V98	L60-V93 HydrophobicContact CB-CG2 3.97Å; L60-V93 PolarHBondContact N-O 3.27Å; L60-V93 PolarHBondContact O-N 2.8Å; V62-V93 HydrophobicContact CG2-CG2 3.59Å; W64-V93 HydrophobicContact CZ2-CG1 4.25Å; V93-V98 HydrophobicContact CB-CG1 4.33Å; V93-V98 HydrophobicContact CG2-CG1 3.81Å; V93-V98 HydrophobicContact CG2-CG2 4.42Å
94	R	96	Very high	95.1	Very high	78 Å²	78	32.5 Å²	32.5	29%	0.294	18%	0.178	S	C	.	.			trans	-75	138.8	171.5	-66.3	-57.1	-168.2	169	3.7	109.7	N56 G57 P58 W59 S96 K97	N56-R94 PolarHBondContact O-NH1 3.41Å; N56-R94 PolarHBondContact O-NH2 3.44Å; G57-R94 PolarHBondContact O-NH1 3.29Å; P58-R94 PolarHBondContact O-NH1 3.31Å; W59-R94 HydrophobicContact CH2-CG 4.44Å; W59-R94 VanDerWaalsContact CZ2-NE 3.35Å; W59-R94 HydrophobicContact CZ3-CG 4.25Å; R94-S96 PolarHBondContact O-N 3.42Å; R94-S96 VanDerWaalsContact O-N 3.14Å; R94-K97 HydrophobicContact CB-CG 4.11Å; R94-K97 WeakPolarHBondContact O-CB 3.28Å; R94-K97 PolarHBondContact O-N 3.06Å
95	P	96.2	Very high	94.9	Very high	16 Å²	16	32.5 Å²	32.5	10%	0.104	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-52.3	-37	176.4	-26.7	32.4	0	0	0	113.5	I25 V28 P58 L60 K97 V98	I25-P95 HydrophobicContact CG2-CB 4.47Å; V28-P95 HydrophobicContact CB-CG 4.43Å; V28-P95 HydrophobicContact CG1-CG 3.83Å; V28-P95 HydrophobicContact CG2-CB 3.72Å; V28-P95 HydrophobicContact CG2-CG 3.68Å; P58-P95 HydrophobicContact CG-CG 4.37Å; L60-P95 HydrophobicContact CD1-CB 4.26Å; L60-P95 HydrophobicContact CD1-CG 4.32Å; L60-P95 HydrophobicContact CD2-CG 4.24Å; L60-P95 HydrophobicContact CG-CB 4.48Å; L60-P95 HydrophobicContact CG-CG 4.01Å; P95-K97 PolarHBondContact O-N 2.93Å; P95-K97 VanDerWaalsContact O-N 3.15Å; P95-V98 PolarHBondContact O-N 3.45Å; P95-V98 VanDerWaalsContact O-O 3.12Å
96	S	94.3	Very high	94.7	Very high	112 Å²	112	28.9 Å²	28.9	78%	0.783	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-68.9	-7.8	178.7	59.2	0	0	0	0	115.3	R94	R94-S96 PolarHBondContact O-N 3.42Å; R94-S96 VanDerWaalsContact O-N 3.14Å
97	K	94.7	Very high	94.7	Very high	136 Å²	136	28.5 Å²	28.5	59%	0.591	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-95.5	-10.4	178.6	-68	-66.3	-173.4	179.2	0	112.8	H39 R94 P95	H39-K97 PolarHBondContact CD2-O 3.13Å; H39-K97 PolarHBondContact NE2-O 3.24Å; R94-K97 HydrophobicContact CB-CG 4.11Å; R94-K97 WeakPolarHBondContact O-CB 3.28Å; R94-K97 PolarHBondContact O-N 3.06Å; P95-K97 PolarHBondContact O-N 2.93Å; P95-K97 VanDerWaalsContact O-N 3.15Å
98	V	96.3	Very high	94.5	Very high	13 Å²	13	24.1 Å²	24.1	8%	0.079	13%	0.13	C	C	.	.			trans	-130.8	160.3	-174.2	-56.9	0	0	0	0	110	I25 I37 H39 L60 W64 V93 P95	I25-V98 HydrophobicContact CD1-CG2 3.84Å; I37-V98 HydrophobicContact CB-CB 4.37Å; I37-V98 HydrophobicContact CD1-CB 3.62Å; I37-V98 HydrophobicContact CD1-CG1 3.63Å; I37-V98 HydrophobicContact CD1-CG2 3.9Å; I37-V98 HydrophobicContact CG2-CG2 4.29Å; H39-V98 HydrophobicContact CB-CG1 4.07Å; L60-V98 HydrophobicContact CD1-CG2 3.74Å; W64-V98 HydrophobicContact CH2-CG1 4.39Å; V93-V98 HydrophobicContact CB-CG1 4.33Å; V93-V98 HydrophobicContact CG2-CG1 3.81Å; V93-V98 HydrophobicContact CG2-CG2 4.42Å; P95-V98 PolarHBondContact O-N 3.45Å; P95-V98 VanDerWaalsContact O-O 3.12Å
99	S	96.6	Very high	94.1	Very high	8 Å²	8	21 Å²	21	6%	0.056	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-127.9	149.2	176.6	179	0	0	0	0	110.5	G19 G23 I37 V38 G101	G19-S99 WeakPolarHBondContact CA-OG 3.29Å; G23-S99 VanDerWaalsContact C-OG 3.31Å; G23-S99 WeakPolarHBondContact CA-OG 3.41Å; G23-S99 PolarHBondContact O-OG 2.93Å; G23-S99 VanDerWaalsContact O-OG 3.11Å; I37-S99 CarbonylContact C-O 3.6Å; I37-S99 WeakPolarHBondContact CA-O 3.39Å; I37-S99 VanDerWaalsContact CB-O 3.28Å; I37-S99 WeakPolarHBondContact CB-O 3.08Å; V38-S99 PolarHBondContact N-O 2.81Å; V38-S99 PolarHBondContact O-N 3.26Å; S99-G101 PolarHBondContact O-N 3.15Å; S99-G101 PolarHBondContact OG-N 3.26Å; S99-G101 VanDerWaalsContact OG-N 3.08Å; S99-G101 PolarHBondContact OG-O 3.2Å
100	L	96.9	Very high	93.6	Very high	15 Å²	15	21.5 Å²	21.5	8%	0.079	11%	0.112	C	C	.	.			trans	-66.2	-17.7	168.2	-66	171.8	0	0	0	112.2	G23 I25 R35 I37 I46 Y218 L262	G23-L100 WeakPolarHBondContact O-CB 3.33Å; G23-L100 PolarHBondContact O-N 3Å; I25-L100 HydrophobicContact CG1-CD1 4.44Å; I25-L100 HydrophobicContact CG1-CG 3.98Å; R35-L100 HydrophobicContact CB-CD2 3.93Å; I37-L100 HydrophobicContact CG2-CD2 4.14Å; I46-L100 HydrophobicContact CD1-CD2 4.46Å; L100-Y218 HydrophobicContact CB-CD1 4.24Å; L100-Y218 HydrophobicContact CB-CD2 4.31Å; L100-Y218 HydrophobicContact CB-CE1 4.09Å; L100-Y218 HydrophobicContact CB-CE2 4.16Å; L100-Y218 HydrophobicContact CB-CG 4.35Å; L100-Y218 HydrophobicContact CD1-CE2 4.41Å; L100-Y218 WeakPolarHBondContact O-CB 3.15Å; L100-Y218 VanDerWaalsContact O-CD1 3.31Å; L100-Y218 WeakPolarHBondContact O-CD1 3.42Å; L100-L262 WeakPolarHBondContact O-CD1 3.49Å
101	G	95.6	Very high	93.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.			trans	126.6	-138.5	174.8	0	0	0	0	0	113.7	G19 T20 G23 S99 P216	G19-G101 WeakPolarHBondContact CA-O 3.44Å; T20-G101 PolarHBondContact N-O 3.04Å; T20-G101 PolarHBondContact OG1-O 3.38Å; G23-G101 WeakPolarHBondContact CA-O 3.32Å; S99-G101 PolarHBondContact O-N 3.15Å; S99-G101 PolarHBondContact OG-N 3.26Å; S99-G101 VanDerWaalsContact OG-N 3.08Å; S99-G101 PolarHBondContact OG-O 3.2Å; G101-P216 CarbonylContact C-O 3.26Å; G101-P216 VanDerWaalsContact CA-O 3.28Å; G101-P216 WeakPolarHBondContact CA-O 3.47Å
102	T	93.6	Very high	92.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	162.9	179.6	-167.5	0	0	0	0	110.3	I16 T20 E106 A107 P216 V217 Y218	I16-T102 HydrophobicContact CB-CG2 4.26Å; I16-T102 HydrophobicContact CD1-CG2 4.38Å; T20-T102 VanDerWaalsContact CG2-OG1 3.26Å; T20-T102 WeakPolarHBondContact CG2-OG1 3.41Å; T102-E106 WeakPolarHBondContact OG1-CB 3.43Å; T102-E106 PolarHBondContact OG1-OE2 3.3Å; T102-A107 HydrophobicContact CG2-CB 4.1Å; T102-P216 HydrophobicContact CG2-CG 4.01Å; T102-P216 PolarHBondContact N-O 3.19Å; T102-V217 HydrophobicContact CG2-CG2 4.25Å; T102-V217 WeakPolarHBondContact O-CA 3.24Å; T102-Y218 VanDerWaalsContact O-CD1 3.3Å; T102-Y218 WeakPolarHBondContact O-CD1 3.35Å; T102-Y218 PolarHBondContact O-N 3.02Å; T102-Y218 VanDerWaalsContact O-N 3.14Å
103	S	92.6	Very high	91.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	163.1	172.9	87.6	0	0	0	0	111.8	C22 E105 E106 A107 R219	C22-S103 PolarHBondContact SG-N 3.43Å; C22-S103 VanDerWaalsContact SG-N 3.41Å; S103-E105 VanDerWaalsContact C-N 3.26Å; S103-E105 WeakPolarHBondContact CB-OE2 3.49Å; S103-E105 PolarHBondContact O-N 2.85Å; S103-E105 WeakPolarHBondContact OG-CB 3.36Å; S103-E105 PolarHBondContact OG-N 3.47Å; S103-E105 PolarHBondContact OG-OE2 3.11Å; S103-E106 PolarHBondContact N-OE2 2.91Å; S103-E106 VanDerWaalsContact N-OE2 3.17Å; S103-E106 PolarHBondContact O-N 2.95Å; S103-E106 PolarHBondContact OG-N 3.06Å; S103-A107 PolarHBondContact O-N 3.38Å; S103-A107 VanDerWaalsContact O-N 3.08Å; S103-R219 CarbonylContact C-O 3.46Å; S103-R219 WeakPolarHBondContact CA-O 3.45Å
104	L	93	Very high	90.6	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-57.6	-42.2	174.8	177.2	57.3	0	0	0	111.5	A107 L108 L212 V217 R219 A220 L246 L256 M258 I272	L104-A107 PolarHBondContact O-N 3.05Å; L104-L108 HydrophobicContact CD1-CD1 4.15Å; L104-L108 HydrophobicContact CD1-CG 4.19Å; L104-L108 HydrophobicContact CG-CD1 3.95Å; L104-L108 HydrophobicContact CG-CG 4.47Å; L104-L108 WeakPolarHBondContact O-CB 3.23Å; L104-L108 WeakPolarHBondContact O-CD1 3.42Å; L104-L108 WeakPolarHBondContact O-CG 3.28Å; L104-L108 PolarHBondContact O-N 3.49Å; L104-L212 HydrophobicContact CD1-CD1 3.11Å; L104-V217 HydrophobicContact CB-CG1 4.19Å; L104-V217 HydrophobicContact CD1-CG1 4.46Å; L104-R219 PolarHBondContact N-O 3.39Å; L104-A220 HydrophobicContact CB-CB 4.45Å; L104-L246 HydrophobicContact CD2-CD1 3.69Å; L104-L246 HydrophobicContact CD2-CD2 4.33Å; L104-L246 HydrophobicContact CG-CD2 4.43Å; L104-L256 HydrophobicContact CD2-CD2 4.48Å; L104-M258 HydrophobicContact CD1-SD 4.14Å; L104-I272 HydrophobicContact CD2-CB 4.33Å; L104-I272 HydrophobicContact CD2-CD1 4.37Å; L104-I272 HydrophobicContact CD2-CG1 4Å; L104-I272 HydrophobicContact CD2-CG2 3.46Å; L104-I272 VanDerWaalsContact CD2-CG2 3.46Å
105	E	89.9	Confident	89.4	Confident	4 Å²	4	18.1 Å²	18.1	2%	0.019	10%	0.101	C	C	.	.	H	α-helix	trans	-56.1	-50.5	177.5	-66.1	78.9	-171.9	0	0	111.8	S103 L108 V109 L221 W239 L246	S103-E105 VanDerWaalsContact C-N 3.26Å; S103-E105 WeakPolarHBondContact CB-OE2 3.49Å; S103-E105 PolarHBondContact O-N 2.85Å; S103-E105 WeakPolarHBondContact OG-CB 3.36Å; S103-E105 PolarHBondContact OG-N 3.47Å; S103-E105 PolarHBondContact OG-OE2 3.11Å; E105-L108 PolarHBondContact O-N 3.36Å; E105-V109 WeakPolarHBondContact O-CG2 3.47Å; E105-V109 PolarHBondContact O-N 3.24Å; E105-L221 VanDerWaalsContact CD-N 3.26Å; E105-L221 HydrophobicContact CG-CB 4.46Å; E105-L221 HydrophobicContact CG-CD1 4.44Å; E105-L221 HydrophobicContact CG-CG 4.46Å; E105-L221 PolarHBondContact OE1-N 2.86Å; E105-L221 WeakPolarHBondContact OE2-CG 3.26Å; E105-L221 PolarHBondContact OE2-N 3.04Å; E105-W239 HydrophobicContact CB-CB 4.29Å; E105-W239 HydrophobicContact CB-CD2 3.51Å; E105-W239 HydrophobicContact CB-CE3 3.3Å; E105-W239 HydrophobicContact CB-CG 3.99Å; E105-W239 HydrophobicContact CB-CH2 4.28Å; E105-W239 HydrophobicContact CB-CZ2 4.47Å; E105-W239 HydrophobicContact CB-CZ3 3.71Å; E105-W239 HydrophobicContact CG-CD2 3.67Å; E105-W239 HydrophobicContact CG-CE3 3.83Å; E105-W239 HydrophobicContact CG-CG 4.19Å; E105-W239 HydrophobicContact CG-CH2 4.05Å; E105-W239 HydrophobicContact CG-CZ2 3.92Å; E105-W239 HydrophobicContact CG-CZ3 4.01Å; E105-L246 HydrophobicContact CG-CD2 3.87Å
106	E	88.3	Confident	88.1	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-65.1	-43.2	179.2	-74	176.1	149.9	0	0	112.2	T20 C22 T102 S103 V109 Y110 S236 L238	T20-E106 WeakPolarHBondContact CB-OE2 3.08Å; T20-E106 VanDerWaalsContact CG2-OE2 3.24Å; T20-E106 WeakPolarHBondContact CG2-OE2 3.39Å; T20-E106 PolarHBondContact OG1-OE2 2.82Å; C22-E106 PolarHBondContact SG-OE2 3.28Å; C22-E106 VanDerWaalsContact SG-OE2 3.33Å; T102-E106 WeakPolarHBondContact OG1-CB 3.43Å; T102-E106 PolarHBondContact OG1-OE2 3.3Å; S103-E106 PolarHBondContact N-OE2 2.91Å; S103-E106 VanDerWaalsContact N-OE2 3.17Å; S103-E106 PolarHBondContact O-N 2.95Å; S103-E106 PolarHBondContact OG-N 3.06Å; E106-V109 PolarHBondContact O-N 3.2Å; E106-Y110 VanDerWaalsContact O-CB 3.25Å; E106-Y110 WeakPolarHBondContact O-CB 3.49Å; E106-Y110 PolarHBondContact O-N 3.1Å; E106-S236 WeakPolarHBondContact CG-OG 3.21Å; E106-S236 WeakPolarHBondContact OE1-CB 3.26Å; E106-S236 PolarHBondContact OE1-OG 2.89Å; E106-L238 HydrophobicContact CB-CD1 4.26Å; E106-L238 HydrophobicContact CG-CB 4.23Å; E106-L238 HydrophobicContact CG-CD1 4.4Å
107	A	91.2	Very high	86.8	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.1	-40.9	177.3	0	0	0	0	0	112	T102 S103 L104 Y110 R111 L212 M215 V217	T102-A107 HydrophobicContact CG2-CB 4.1Å; S103-A107 PolarHBondContact O-N 3.38Å; S103-A107 VanDerWaalsContact O-N 3.08Å; L104-A107 PolarHBondContact O-N 3.05Å; A107-Y110 PolarHBondContact O-N 2.89Å; A107-R111 WeakPolarHBondContact O-CB 3.33Å; A107-R111 PolarHBondContact O-N 3.15Å; A107-L212 HydrophobicContact CB-CD1 4.24Å; A107-L212 HydrophobicContact CB-CD2 4.3Å; A107-M215 HydrophobicContact CB-CE 3.67Å; A107-M215 HydrophobicContact CB-SD 4.18Å; A107-M215 WeakPolarHBondContact O-CE 3.3Å; A107-V217 HydrophobicContact CB-CG2 3.36Å
108	L	89.3	Confident	85.8	Confident	0 Å²	0	10 Å²	10	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.2	-47.3	175	-77.8	165.9	0	0	0	111.5	L104 E105 Y112 L204 V210 L212 W239 L246 L250	L104-L108 HydrophobicContact CD1-CD1 4.15Å; L104-L108 HydrophobicContact CD1-CG 4.19Å; L104-L108 HydrophobicContact CG-CD1 3.95Å; L104-L108 HydrophobicContact CG-CG 4.47Å; L104-L108 WeakPolarHBondContact O-CB 3.23Å; L104-L108 WeakPolarHBondContact O-CD1 3.42Å; L104-L108 WeakPolarHBondContact O-CG 3.28Å; L104-L108 PolarHBondContact O-N 3.49Å; E105-L108 PolarHBondContact O-N 3.36Å; L108-Y112 HydrophobicContact CD2-CD2 4.15Å; L108-Y112 HydrophobicContact CD2-CE2 4.33Å; L108-Y112 WeakPolarHBondContact O-CB 3.34Å; L108-Y112 PolarHBondContact O-N 3.15Å; L108-L204 HydrophobicContact CB-CD2 3.99Å; L108-L204 HydrophobicContact CD2-CD2 4.41Å; L108-V210 HydrophobicContact CD2-CB 4.47Å; L108-V210 HydrophobicContact CD2-CG1 3.75Å; L108-V210 HydrophobicContact CD2-CG2 3.91Å; L108-L212 HydrophobicContact CD2-CD1 4.39Å; L108-L212 HydrophobicContact CG-CD1 4.34Å; L108-W239 HydrophobicContact CD1-CZ3 4.49Å; L108-L246 HydrophobicContact CD1-CD2 4.29Å; L108-L250 HydrophobicContact CD1-CD1 3.65Å; L108-L250 HydrophobicContact CD1-CD2 4.18Å; L108-L250 HydrophobicContact CD1-CG 4.42Å
109	V	85.7	Confident	84.6	Confident	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.3	-50.7	176.9	173.5	0	0	0	0	110	E105 E106 R111 Y112 A113 V114 A200 L238 W239	E105-V109 WeakPolarHBondContact O-CG2 3.47Å; E105-V109 PolarHBondContact O-N 3.24Å; E106-V109 PolarHBondContact O-N 3.2Å; V109-R111 VanDerWaalsContact C-N 3.31Å; V109-R111 PolarHBondContact O-N 2.75Å; V109-Y112 PolarHBondContact O-N 3.25Å; V109-A113 HydrophobicContact CB-CB 4.48Å; V109-A113 HydrophobicContact CG1-CB 4.09Å; V109-A113 CarbonylContact O-C 2.81Å; V109-A113 WeakPolarHBondContact O-CA 3.48Å; V109-A113 WeakPolarHBondContact O-CB 3.46Å; V109-A113 PolarHBondContact O-N 3.49Å; V109-V114 HydrophobicContact CG1-CG2 4.25Å; V109-V114 WeakPolarHBondContact O-CG2 3.43Å; V109-V114 PolarHBondContact O-N 2.91Å; V109-V114 VanDerWaalsContact O-N 3.09Å; V109-A200 HydrophobicContact CG2-CB 3.97Å; V109-L238 HydrophobicContact CB-CB 4.28Å; V109-L238 HydrophobicContact CG1-CB 4.1Å; V109-L238 WeakPolarHBondContact CG1-O 3.49Å; V109-L238 WeakPolarHBondContact CG2-O 3.14Å; V109-W239 HydrophobicContact CG2-CE3 3.83Å; V109-W239 HydrophobicContact CG2-CZ3 4.23Å
110	Y	85.9	Confident	83.3	Confident	9 Å²	9	9.4 Å²	9.4	4%	0.035	5%	0.054	C	C	.	.	H	α-helix	trans	-55.4	-44.6	-179	-175.5	-89.8	0	0	0	112	I13 I16 Y17 E106 A107 Q119 M215	I13-Y110 HydrophobicContact CG2-CD2 4.17Å; I13-Y110 HydrophobicContact CG2-CE2 4.45Å; I16-Y110 HydrophobicContact CD1-CD1 3.61Å; I16-Y110 HydrophobicContact CD1-CE1 4.08Å; I16-Y110 HydrophobicContact CD1-CG 3.89Å; I16-Y110 HydrophobicContact CG1-CD1 3.85Å; I16-Y110 HydrophobicContact CG1-CD2 4.14Å; I16-Y110 HydrophobicContact CG1-CE1 3.97Å; I16-Y110 HydrophobicContact CG1-CE2 4.26Å; I16-Y110 HydrophobicContact CG1-CG 3.93Å; I16-Y110 HydrophobicContact CG2-CD2 3.81Å; I16-Y110 HydrophobicContact CG2-CE2 4.49Å; I16-Y110 HydrophobicContact CG2-CG 3.92Å; Y17-Y110 HydrophobicContact CE2-CE1 4.43Å; E106-Y110 VanDerWaalsContact O-CB 3.25Å; E106-Y110 WeakPolarHBondContact O-CB 3.49Å; E106-Y110 PolarHBondContact O-N 3.1Å; A107-Y110 PolarHBondContact O-N 2.89Å; Y110-Q119 PolarHBondContact O-NE2 3.04Å; Y110-M215 HydrophobicContact CD1-CE 3.9Å
111	R	85.9	Confident	82	Confident	10 Å²	10	13.9 Å²	13.9	4%	0.038	8%	0.075	C	C	.	.	H	α-helix	trans	-81.6	-39.7	-177.4	-179.7	158.9	-80	159.4	3.6	114.1	A107 V109 E177 Y179 S211 L212 M215	A107-R111 WeakPolarHBondContact O-CB 3.33Å; A107-R111 PolarHBondContact O-N 3.15Å; V109-R111 VanDerWaalsContact C-N 3.31Å; V109-R111 PolarHBondContact O-N 2.75Å; R111-E177 IonicContact CZ-OE2 2.8Å; R111-E177 VanDerWaalsContact CZ-OE2 3.28Å; R111-E177 IonicContact NE-OE2 3.84Å; R111-E177 IonicContact NH2-OE2 3.79Å; R111-E177 PolarHBondContact NH2-OE2 3.48Å; R111-Y179 HydrophobicContact CG-CD2 3.5Å; R111-Y179 VanDerWaalsContact CG-CD2 3.5Å; R111-Y179 HydrophobicContact CG-CE2 4.15Å; R111-Y179 HydrophobicContact CG-CG 4.06Å; R111-S211 WeakPolarHBondContact CD-O 3.2Å; R111-S211 PolarHBondContact NH1-O 3.38Å; R111-L212 HydrophobicContact CB-CD2 4.36Å; R111-L212 VanDerWaalsContact NH1-C 3.27Å; R111-M215 HydrophobicContact CB-CE 3.97Å; R111-M215 HydrophobicContact CB-SD 4.14Å; R111-M215 PolarHBondContact NH1-SD 2.83Å
112	Y	83.3	Confident	80.8	Confident	16 Å²	16	14.3 Å²	14.3	6%	0.063	8%	0.078	C	C	.	.	H	α-helix	trans	-111.4	-15.6	-168.6	-64.7	-80	0	0	0	115	L108 V109 Y179 C203 L207 V210 S211 L212	L108-Y112 HydrophobicContact CD2-CD2 4.15Å; L108-Y112 HydrophobicContact CD2-CE2 4.33Å; L108-Y112 WeakPolarHBondContact O-CB 3.34Å; L108-Y112 PolarHBondContact O-N 3.15Å; V109-Y112 PolarHBondContact O-N 3.25Å; Y112-Y179 HydrophobicContact CE1-CD1 4.34Å; Y112-Y179 HydrophobicContact CE1-CG 4.12Å; Y112-C203 PolarHBondContact O-SG 2.82Å; Y112-L207 HydrophobicContact CD1-CD1 4.05Å; Y112-L207 HydrophobicContact CD1-CD2 4.05Å; Y112-L207 HydrophobicContact CD2-CD1 4.05Å; Y112-L207 HydrophobicContact CE1-CD2 4.41Å; Y112-L207 HydrophobicContact CG-CD1 3.76Å; Y112-V210 HydrophobicContact CE2-CB 4.44Å; Y112-V210 HydrophobicContact CE2-CG1 3.84Å; Y112-V210 HydrophobicContact CE2-CG2 4.17Å; Y112-S211 PolarHBondContact OH-N 3.03Å; Y112-S211 PolarHBondContact OH-O 3.37Å; Y112-L212 HydrophobicContact CE2-CD2 3.96Å
113	A	79.6	Confident	79.5	Confident	7 Å²	7	15.2 Å²	15.2	6%	0.058	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-9.7	-176.3	0	0	0	0	0	114.2	V109 C195 G196 A200	V109-A113 HydrophobicContact CB-CB 4.48Å; V109-A113 HydrophobicContact CG1-CB 4.09Å; V109-A113 CarbonylContact O-C 2.81Å; V109-A113 WeakPolarHBondContact O-CA 3.48Å; V109-A113 WeakPolarHBondContact O-CB 3.46Å; V109-A113 PolarHBondContact O-N 3.49Å; A113-C195 WeakPolarHBondContact O-CA 3.2Å; A113-G196 PolarHBondContact O-N 3.39Å; A113-A200 HydrophobicContact CB-CB 3.55Å
114	V	77.1	Confident	77.9	Confident	1 Å²	1	16.1 Å²	16.1	1%	0.006	9%	0.087	C	C	.	.	S	Bend	trans	-96	127.8	174.9	-176.6	0	0	0	0	109.7	I13 V109 C118 Q119 T180	I13-V114 HydrophobicContact CD1-CB 4.28Å; I13-V114 HydrophobicContact CD1-CG1 3.48Å; I13-V114 VanDerWaalsContact CD1-CG1 3.48Å; I13-V114 HydrophobicContact CD1-CG2 3.73Å; I13-V114 HydrophobicContact CG2-CG2 4.37Å; V109-V114 HydrophobicContact CG1-CG2 4.25Å; V109-V114 WeakPolarHBondContact O-CG2 3.43Å; V109-V114 PolarHBondContact O-N 2.91Å; V109-V114 VanDerWaalsContact O-N 3.09Å; V114-C118 HydrophobicContact CG1-CB 3.43Å; V114-C118 VanDerWaalsContact CG1-CB 3.43Å; V114-Q119 HydrophobicContact CB-CG 4.07Å; V114-Q119 HydrophobicContact CG1-CG 3.76Å; V114-Q119 PolarHBondContact O-NE2 3.36Å; V114-T180 VanDerWaalsContact O-CG2 3.31Å; V114-T180 WeakPolarHBondContact O-CG2 3.45Å
115	C	72.2	Confident	76	Confident	29 Å²	29	20 Å²	20	20%	0.196	11%	0.114	C	C	.	.			trans	-68.1	160.6	178.7	80.4	0	0	0	0	111.8	T117 C118 Q119 H191 C195	C115-T117 VanDerWaalsContact C-N 3.29Å; C115-T117 PolarHBondContact O-N 3.31Å; C115-C118 PolarHBondContact O-N 3.12Å; C115-C118 PolarHBondContact SG-N 3.09Å; C115-C118 VanDerWaalsContact SG-N 3.4Å; C115-Q119 PolarHBondContact O-N 3.1Å; C115-H191 PolarHBondContact SG-NE2 3.26Å; C115-C195 HydrophobicContact CB-CB 4.28Å; C115-C195 PolarHBondContact N-SG 3.49Å
116	T	67.9	Low	74	Confident	21 Å²	21	24.6 Å²	24.6	13%	0.129	14%	0.138	C	C	.	.	H	α-helix	trans	-48.9	-47.7	177.7	-43.2	0	0	0	0	113.1	Q119 L120 I176 L178	T116-Q119 PolarHBondContact O-N 3.09Å; T116-L120 HydrophobicContact CG2-CD1 4.12Å; T116-L120 WeakPolarHBondContact O-CD1 3.41Å; T116-L120 WeakPolarHBondContact O-CG 3.28Å; T116-L120 PolarHBondContact O-N 2.97Å; T116-I176 HydrophobicContact CG2-CD1 3.45Å; T116-I176 VanDerWaalsContact CG2-CD1 3.45Å; T116-I176 HydrophobicContact CG2-CG2 4.27Å; T116-L178 HydrophobicContact CG2-CD2 3.63Å; T116-L178 WeakPolarHBondContact OG1-CD2 3.37Å
117	T	67.9	Low	72	Confident	56 Å²	56	29.9 Å²	29.9	34%	0.344	16%	0.163	S	C	.	.	H	α-helix	trans	-62.5	-46.9	-177.7	-51.2	0	0	0	0	111.2	C115 L120 E121	C115-T117 VanDerWaalsContact C-N 3.29Å; C115-T117 PolarHBondContact O-N 3.31Å; T117-L120 WeakPolarHBondContact O-CB 3.42Å; T117-L120 PolarHBondContact O-N 3.44Å; T117-E121 WeakPolarHBondContact O-CG 3.26Å; T117-E121 PolarHBondContact O-N 3.33Å
118	C	73.1	Confident	69.5	Low	16 Å²	16	33.2 Å²	33.2	11%	0.108	19%	0.186	C	C	.	.	H	α-helix	trans	-65.5	-41.8	177.8	-74.1	0	0	0	0	112	I13 V114 C115 L120 E121 T122 H191	I13-C118 HydrophobicContact CD1-CB 4.04Å; V114-C118 HydrophobicContact CG1-CB 3.43Å; V114-C118 VanDerWaalsContact CG1-CB 3.43Å; C115-C118 PolarHBondContact O-N 3.12Å; C115-C118 PolarHBondContact SG-N 3.09Å; C115-C118 VanDerWaalsContact SG-N 3.4Å; C118-L120 PolarHBondContact O-N 3.1Å; C118-E121 PolarHBondContact O-N 2.81Å; C118-T122 WeakPolarHBondContact O-CG2 3.47Å; C118-T122 PolarHBondContact O-N 2.89Å; C118-H191 PolarHBondContact SG-CE1 3.33Å
119	Q	70.7	Confident	66.9	Low	8 Å²	8	45.4 Å²	45.4	4%	0.037	23%	0.233	C	C	.	.	H	α-helix	trans	-57.9	-39.7	174.4	-72.8	-177	-2.8	0	0	111.4	Y110 V114 C115 T116 T122 Q123	Y110-Q119 PolarHBondContact O-NE2 3.04Å; V114-Q119 HydrophobicContact CB-CG 4.07Å; V114-Q119 HydrophobicContact CG1-CG 3.76Å; V114-Q119 PolarHBondContact O-NE2 3.36Å; C115-Q119 PolarHBondContact O-N 3.1Å; T116-Q119 PolarHBondContact O-N 3.09Å; Q119-T122 PolarHBondContact O-N 3.28Å; Q119-T122 PolarHBondContact O-OG1 3.26Å; Q119-Q123 PolarHBondContact O-N 2.93Å
120	L	69.6	Low	64.4	Low	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-66.2	-46.2	176.5	-79.6	159.8	0	0	0	113.5	T116 T117 C118 T122 Q123 T124 I139 V141 S152 L174 I176	T116-L120 HydrophobicContact CG2-CD1 4.12Å; T116-L120 WeakPolarHBondContact O-CD1 3.41Å; T116-L120 WeakPolarHBondContact O-CG 3.28Å; T116-L120 PolarHBondContact O-N 2.97Å; T117-L120 WeakPolarHBondContact O-CB 3.42Å; T117-L120 PolarHBondContact O-N 3.44Å; C118-L120 PolarHBondContact O-N 3.1Å; L120-T122 PolarHBondContact O-N 3.47Å; L120-Q123 PolarHBondContact O-N 3.44Å; L120-Q123 VanDerWaalsContact O-N 3.08Å; L120-T124 WeakPolarHBondContact O-CB 3.44Å; L120-T124 WeakPolarHBondContact O-CG2 3.41Å; L120-T124 PolarHBondContact O-N 3.03Å; L120-T124 PolarHBondContact O-OG1 3.44Å; L120-I139 HydrophobicContact CB-CD1 3.84Å; L120-I139 HydrophobicContact CD1-CB 4.32Å; L120-I139 HydrophobicContact CD1-CD1 3.91Å; L120-I139 HydrophobicContact CD1-CG2 3.49Å; L120-I139 VanDerWaalsContact CD1-CG2 3.49Å; L120-I139 HydrophobicContact CD2-CG2 4.35Å; L120-I139 HydrophobicContact CG-CD1 4.41Å; L120-I139 HydrophobicContact CG-CG2 4.44Å; L120-V141 HydrophobicContact CD1-CG2 4.47Å; L120-S152 WeakPolarHBondContact CD2-OG 3.38Å; L120-L174 HydrophobicContact CD2-CB 4.31Å; L120-L174 HydrophobicContact CD2-CD1 4.44Å; L120-I176 HydrophobicContact CD1-CD1 3.3Å; L120-I176 HydrophobicContact CD1-CG1 4.44Å; L120-I176 HydrophobicContact CD2-CD1 3.43Å; L120-I176 VanDerWaalsContact CD2-CD1 3.43Å; L120-I176 HydrophobicContact CD2-CG1 3.69Å; L120-I176 HydrophobicContact CG-CD1 3.26Å; L120-I176 HydrophobicContact CG-CG1 3.91Å
121	E	70.2	Confident	61.7	Low	109 Å²	109	62.3 Å²	62.3	51%	0.509	31%	0.309	S	S	.	.	H	α-helix	trans	-56.5	-38.7	176.5	-73	171.9	173.9	0	0	111.1	T117 C118 Q123 T124 S125	T117-E121 WeakPolarHBondContact O-CG 3.26Å; T117-E121 PolarHBondContact O-N 3.33Å; C118-E121 PolarHBondContact O-N 2.81Å; E121-Q123 VanDerWaalsContact C-N 3.35Å; E121-Q123 PolarHBondContact O-N 3.45Å; E121-T124 VanDerWaalsContact CA-OG1 3.27Å; E121-T124 WeakPolarHBondContact CA-OG1 3.19Å; E121-T124 PolarHBondContact O-OG1 3.2Å; E121-S125 PolarHBondContact O-N 2.84Å
122	T	69.5	Low	59.1	Low	10 Å²	10	67.2 Å²	67.2	6%	0.061	34%	0.342	C	S	.	.	H	α-helix	trans	-61.4	-41.2	175.9	74.1	0	0	0	0	112.8	I13 C118 Q119 L120 S125	I13-T122 HydrophobicContact CB-CG2 3.6Å; I13-T122 HydrophobicContact CG2-CG2 3.73Å; I13-T122 WeakPolarHBondContact O-CG2 3.19Å; C118-T122 WeakPolarHBondContact O-CG2 3.47Å; C118-T122 PolarHBondContact O-N 2.89Å; Q119-T122 PolarHBondContact O-N 3.28Å; Q119-T122 PolarHBondContact O-OG1 3.26Å; L120-T122 PolarHBondContact O-N 3.47Å; T122-S125 PolarHBondContact O-OG 3.46Å
123	Q	66.8	Low	56.6	Low	19 Å²	19	72.7 Å²	72.7	9%	0.089	38%	0.377	C	S	.	.	H	α-helix	trans	-82.4	-28.4	-175.8	-64.6	-176.1	33.7	0	0	112.9	Q119 L120 E121 L174	Q119-Q123 PolarHBondContact O-N 2.93Å; L120-Q123 PolarHBondContact O-N 3.44Å; L120-Q123 VanDerWaalsContact O-N 3.08Å; E121-Q123 VanDerWaalsContact C-N 3.35Å; E121-Q123 PolarHBondContact O-N 3.45Å; Q123-L174 HydrophobicContact CB-CD2 3.96Å
124	T	59.2	Low	54.3	Low	18 Å²	18	76.3 Å²	76.3	11%	0.11	42%	0.415	C	S	.	.	H	α-helix	trans	-81	-28.6	-178.1	45	0	0	0	0	113.7	L120 E121 L126 Q127 L154 L174	L120-T124 WeakPolarHBondContact O-CB 3.44Å; L120-T124 WeakPolarHBondContact O-CG2 3.41Å; L120-T124 PolarHBondContact O-N 3.03Å; L120-T124 PolarHBondContact O-OG1 3.44Å; E121-T124 VanDerWaalsContact CA-OG1 3.27Å; E121-T124 WeakPolarHBondContact CA-OG1 3.19Å; E121-T124 PolarHBondContact O-OG1 3.2Å; T124-L126 PolarHBondContact O-N 3.06Å; T124-Q127 PolarHBondContact O-N 3.33Å; T124-L154 HydrophobicContact CG2-CD1 3.36Å; T124-L154 HydrophobicContact CG2-CD2 3.5Å; T124-L154 VanDerWaalsContact CG2-CD2 3.5Å; T124-L154 HydrophobicContact CG2-CG 4.05Å; T124-L174 HydrophobicContact CG2-CD1 3.34Å
125	S	53.5	Low	52.2	Low	83 Å²	83	80.7 Å²	80.7	58%	0.58	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-17.1	173.1	71.9	0	0	0	0	113.8	E121 T122	E121-S125 PolarHBondContact O-N 2.84Å; T122-S125 PolarHBondContact O-OG 3.46Å
126	L	48.3	Very low	50.6	Low	101 Å²	101	84.6 Å²	84.6	53%	0.529	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-19.8	177.5	-68.7	162.9	0	0	0	114.1	L18 T124	L18-L126 HydrophobicContact CD1-CD1 4.4Å; L18-L126 HydrophobicContact CD1-CD2 4.08Å; T124-L126 PolarHBondContact O-N 3.06Å
127	Q	46	Very low	49.6	Very low	114 Å²	114	89.2 Å²	89.2	53%	0.533	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-28.2	-176.8	-68.9	-174.9	-10.7	0	0	113.2	T124	T124-Q127 PolarHBondContact O-N 3.33Å
128	S	37.2	Very low	48.8	Very low	69 Å²	69	92.3 Å²	92.3	48%	0.483	51%	0.508	S	S	.	.			trans	-104.4	83.3	-179.3	53.4	0	0	0	0	112.3	E130	S128-E130 PolarHBondContact O-N 2.79Å
129	R	34.8	Very low	47.8	Very low	257 Å²	257	93.7 Å²	93.7	97%	0.97	51%	0.514	S	S	*	.			trans	-84.7	13.3	164.1	-139.5	175.7	167.9	-165.2	-5.4	113
130	E	33.4	Very low	46.8	Very low	170 Å²	170	95.6 Å²	95.6	79%	0.794	52%	0.524	S	S	*	.	S	Bend	trans	-99.3	127.2	168.9	-66.7	-170.7	160.6	0	0	109.5	S128	S128-E130 PolarHBondContact O-N 2.79Å
131	K	28.8	Very low	46.1	Very low	194 Å²	194	98.3 Å²	98.3	84%	0.843	54%	0.54	S	S	*	.			trans	-50.4	125.6	-179.8	-76.4	175.5	172.8	178.3	0	110.3	T133	K131-T133 PolarHBondContact O-N 3.44Å
132	P	33.1	Very low	45.1	Very low	113 Å²	113	96.9 Å²	96.9	73%	0.734	53%	0.533	S	S	*	.			trans	-73	104.5	176.4	28.4	-30.9	0	0	0	109.1	G134	P132-G134 PolarHBondContact O-N 3.17Å
133	T	30.3	Very low	44.1	Very low	131 Å²	131	105 Å²	105	80%	0.804	57%	0.57	S	S	*	*			trans	-77.1	101.7	161.4	49.8	0	0	0	0	108	K131 S135	K131-T133 PolarHBondContact O-N 3.44Å; T133-S135 PolarHBondContact O-N 3.09Å
134	G	30	Very low	43.5	Very low	82 Å²	82	105.3 Å²	105.3	85%	0.845	58%	0.575	S	S	*	*	S	Bend	trans	24.9	79.6	160.3	0	0	0	0	0	118.7	P132	P132-G134 PolarHBondContact O-N 3.17Å
135	S	33.9	Very low	42.9	Very low	94 Å²	94	111.5 Å²	111.5	66%	0.657	61%	0.612	S	S	*	*			trans	-160	129.8	147.2	68.7	0	0	0	0	109.5	T133 H137	T133-S135 PolarHBondContact O-N 3.09Å; S135-H137 PolarHBondContact O-N 3.37Å
136	S	39.3	Very low	42.5	Very low	111 Å²	111	112.4 Å²	112.4	78%	0.776	61%	0.608	S	S	*	*			trans	-50	116.5	177.9	-31.3	0	0	0	0	111.1	N138	S136-N138 PolarHBondContact O-N 3.27Å
137	H	46.9	Very low	42.4	Very low	118 Å²	118	116.1 Å²	116.1	55%	0.546	63%	0.627	S	S	.	*			trans	-68.8	103.9	170.1	-69.8	-62.6	0	0	0	108.5	S135 I139	S135-H137 PolarHBondContact O-N 3.37Å; H137-I139 PolarHBondContact O-N 3.2Å; H137-I139 VanDerWaalsContact O-N 3.17Å
138	N	49.8	Very low	42.4	Very low	121 Å²	121	112.2 Å²	112.2	65%	0.647	62%	0.617	S	S	*	*			trans	-70.3	108.4	168.9	-75	-17.8	0	0	0	107.9	S136 L140	S136-N138 PolarHBondContact O-N 3.27Å; N138-L140 PolarHBondContact O-N 3.44Å
139	I	52.6	Low	42.9	Very low	45 Å²	45	110.3 Å²	110.3	23%	0.231	60%	0.6	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.3	109.5	171.7	-55.2	174	0	0	0	107.6	L120 H137 V141 L154	L120-I139 HydrophobicContact CB-CD1 3.84Å; L120-I139 HydrophobicContact CD1-CB 4.32Å; L120-I139 HydrophobicContact CD1-CD1 3.91Å; L120-I139 HydrophobicContact CD1-CG2 3.49Å; L120-I139 VanDerWaalsContact CD1-CG2 3.49Å; L120-I139 HydrophobicContact CD2-CG2 4.35Å; L120-I139 HydrophobicContact CG-CD1 4.41Å; L120-I139 HydrophobicContact CG-CG2 4.44Å; H137-I139 PolarHBondContact O-N 3.2Å; H137-I139 VanDerWaalsContact O-N 3.17Å; I139-V141 HydrophobicContact CG2-CG2 4.09Å; I139-L154 HydrophobicContact CD1-CD1 4.42Å; I139-L154 HydrophobicContact CG1-CD1 4.09Å; I139-L154 HydrophobicContact CG2-CD1 4.46Å
140	L	49.6	Very low	43.7	Very low	47 Å²	47	99.4 Å²	99.4	25%	0.246	56%	0.561	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.6	126	173.8	-71.7	171.9	0	0	0	108.6	N138 S152 Y153 S156 A161	N138-L140 PolarHBondContact O-N 3.44Å; L140-S152 CarbonylContact O-C 3.45Å; L140-S152 VanDerWaalsContact O-CA 3.24Å; L140-S152 WeakPolarHBondContact O-CA 3.41Å; L140-Y153 PolarHBondContact N-O 3.2Å; L140-Y153 PolarHBondContact O-N 2.98Å; L140-S156 VanDerWaalsContact CD1-O 3.29Å; L140-S156 WeakPolarHBondContact CD1-O 3.29Å; L140-A161 HydrophobicContact CD1-CB 4.06Å
141	V	54.6	Low	44.7	Very low	58 Å²	58	92.1 Å²	92.1	35%	0.352	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.1	-177.3	-167.3	0	0	0	0	108.9	L120 I139 L150 N151	L120-V141 HydrophobicContact CD1-CG2 4.47Å; I139-V141 HydrophobicContact CG2-CG2 4.09Å; V141-L150 HydrophobicContact CB-CD1 4.43Å; V141-L150 HydrophobicContact CG1-CB 3.39Å; V141-L150 HydrophobicContact CG1-CD1 3.23Å; V141-L150 HydrophobicContact CG1-CD2 4.42Å; V141-L150 HydrophobicContact CG1-CG 3.82Å; V141-N151 CarbonylContact C-O 3.57Å; V141-N151 WeakPolarHBondContact CA-O 3.17Å
142	H	49.4	Very low	45.8	Very low	79 Å²	79	82.9 Å²	82.9	37%	0.366	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.2	-179.1	-74.9	-96.3	0	0	0	111.6	C144 L150 N151 Y153	H142-C144 PolarHBondContact O-N 3.34Å; H142-L150 CarbonylContact O-C 3.52Å; H142-L150 WeakPolarHBondContact O-CA 3.45Å; H142-N151 PolarHBondContact N-O 3.05Å; H142-N151 PolarHBondContact O-N 3.41Å; H142-Y153 HydrophobicContact CB-CE2 4.13Å; H142-Y153 AromaticContact CD2-CD2 3.55Å; H142-Y153 AromaticContact CD2-CE2 3.36Å; H142-Y153 WeakPolarHBondContact CD2-CE2 3.47Å; H142-Y153 AromaticContact CG-CE2 3.9Å
143	E	49.1	Very low	46.8	Very low	180 Å²	180	79.7 Å²	79.7	84%	0.841	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.1	125.3	171.4	-106.5	178.8	157.9	0	0	111.3	L150	E143-L150 VanDerWaalsContact CA-CD2 3.45Å; E143-L150 HydrophobicContact CB-CD2 4.14Å; E143-L150 HydrophobicContact CG-CD2 3.59Å
144	C	53.2	Low	47.7	Very low	27 Å²	27	76.3 Å²	76.3	18%	0.182	44%	0.438	C	S	.	.			trans	-81.3	154.4	167.1	-168.9	0	0	0	0	109	H142 Q146 H149	H142-C144 PolarHBondContact O-N 3.34Å; C144-Q146 PolarHBondContact O-N 2.94Å; C144-H149 HydrophobicContact CB-CB 3.91Å; C144-H149 WeakPolarHBondContact CB-O 3.38Å; C144-H149 PolarHBondContact N-O 2.93Å; C144-H149 VanDerWaalsContact N-O 3.1Å
145	T	46.8	Very low	48.5	Very low	147 Å²	147	75.3 Å²	75.3	90%	0.902	43%	0.428	S	S	*	.	S	Bend	trans	-62.8	-11.6	170.9	52.5	0	0	0	0	113.1
146	Q	45.4	Very low	48.9	Very low	103 Å²	103	72 Å²	72	48%	0.481	40%	0.404	S	S	.	.	S	Bend	trans	-91.2	111.4	171	-63.3	-172.7	-2.6	0	0	109.7	C144 G148 H149	C144-Q146 PolarHBondContact O-N 2.94Å; Q146-G148 PolarHBondContact O-N 3.36Å; Q146-H149 HydrophobicContact CB-CB 4.31Å; Q146-H149 WeakPolarHBondContact O-CB 3.26Å; Q146-H149 PolarHBondContact O-N 2.97Å
147	L	46.2	Very low	49.3	Very low	179 Å²	179	70.5 Å²	70.5	94%	0.937	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	129.7	172.3	-94.1	130.2	0	0	0	110.8
148	G	46.7	Very low	49.2	Very low	31 Å²	31	68.2 Å²	68.2	32%	0.32	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	1.6	-178.3	0	0	0	0	0	115	Q146 E177 L178	Q146-G148 PolarHBondContact O-N 3.36Å; G148-E177 CarbonylContact O-C 3.59Å; G148-E177 WeakPolarHBondContact O-CA 3.45Å; G148-L178 PolarHBondContact O-N 3.35Å
149	H	46.6	Very low	49.1	Very low	29 Å²	29	70.1 Å²	70.1	13%	0.134	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133	174.5	-67.2	-93.5	0	0	0	111.5	C144 Q146 R175 E177	C144-H149 HydrophobicContact CB-CB 3.91Å; C144-H149 WeakPolarHBondContact CB-O 3.38Å; C144-H149 PolarHBondContact N-O 2.93Å; C144-H149 VanDerWaalsContact N-O 3.1Å; Q146-H149 HydrophobicContact CB-CB 4.31Å; Q146-H149 WeakPolarHBondContact O-CB 3.26Å; Q146-H149 PolarHBondContact O-N 2.97Å; H149-R175 PolarHBondContact CE1-NH2 2.94Å; H149-R175 VanDerWaalsContact CG-NH2 3.29Å; H149-R175 PolarHBondContact ND1-NE 2.95Å; H149-R175 PolarHBondContact ND1-NH2 3.39Å; H149-R175 VanDerWaalsContact ND1-NH2 3.17Å; H149-E177 IonicContact CE1-OE1 3.03Å; H149-E177 PolarHBondContact CE1-OE1 3.46Å
150	L	52.2	Low	48.8	Very low	29 Å²	29	73 Å²	73	15%	0.152	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.8	166.8	-64.3	-174	0	0	0	110	V141 H142 E143 I176 L178	V141-L150 HydrophobicContact CB-CD1 4.43Å; V141-L150 HydrophobicContact CG1-CB 3.39Å; V141-L150 HydrophobicContact CG1-CD1 3.23Å; V141-L150 HydrophobicContact CG1-CD2 4.42Å; V141-L150 HydrophobicContact CG1-CG 3.82Å; H142-L150 CarbonylContact O-C 3.52Å; H142-L150 WeakPolarHBondContact O-CA 3.45Å; E143-L150 VanDerWaalsContact CA-CD2 3.45Å; E143-L150 HydrophobicContact CB-CD2 4.14Å; E143-L150 HydrophobicContact CG-CD2 3.59Å; L150-I176 PolarHBondContact N-O 2.96Å; L150-I176 PolarHBondContact O-N 3.29Å; L150-I176 VanDerWaalsContact O-O 3.09Å; L150-L178 HydrophobicContact CB-CG 4.47Å; L150-L178 HydrophobicContact CD1-CD1 3.12Å; L150-L178 HydrophobicContact CD1-CD2 4.37Å; L150-L178 HydrophobicContact CD1-CG 3.61Å; L150-L178 HydrophobicContact CG-CD1 3.77Å; L150-L178 HydrophobicContact CG-CG 3.8Å
151	N	53.3	Low	48.7	Very low	16 Å²	16	71.7 Å²	71.7	9%	0.086	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.9	166.2	-73.7	-15.6	0	0	0	108	V141 H142 Y153 T173	V141-N151 CarbonylContact C-O 3.57Å; V141-N151 WeakPolarHBondContact CA-O 3.17Å; H142-N151 PolarHBondContact N-O 3.05Å; H142-N151 PolarHBondContact O-N 3.41Å; N151-Y153 HydrophobicContact CB-CE2 4.5Å; N151-T173 HydrophobicContact CB-CG2 4.13Å
152	S	52.3	Low	48.3	Very low	0 Å²	0	77.2 Å²	77.2	0%	0	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.7	173.6	63	0	0	0	0	110.9	L120 L140 L174	L120-S152 WeakPolarHBondContact CD2-OG 3.38Å; L140-S152 CarbonylContact O-C 3.45Å; L140-S152 VanDerWaalsContact O-CA 3.24Å; L140-S152 WeakPolarHBondContact O-CA 3.41Å; S152-L174 PolarHBondContact N-O 3.46Å; S152-L174 PolarHBondContact O-N 3.34Å; S152-L174 VanDerWaalsContact O-N 3.15Å; S152-L174 WeakPolarHBondContact OG-CB 3.31Å; S152-L174 PolarHBondContact OG-O 2.63Å
153	Y	53.8	Low	48.2	Very low	47 Å²	47	83.5 Å²	83.5	18%	0.184	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.7	176.7	-52.8	-78.5	0	0	0	108.3	L140 H142 N151 P170 T173	L140-Y153 PolarHBondContact N-O 3.2Å; L140-Y153 PolarHBondContact O-N 2.98Å; H142-Y153 HydrophobicContact CB-CE2 4.13Å; H142-Y153 AromaticContact CD2-CD2 3.55Å; H142-Y153 AromaticContact CD2-CE2 3.36Å; H142-Y153 WeakPolarHBondContact CD2-CE2 3.47Å; H142-Y153 AromaticContact CG-CE2 3.9Å; N151-Y153 HydrophobicContact CB-CE2 4.5Å; Y153-P170 HydrophobicContact CD1-CG 4.27Å; Y153-P170 HydrophobicContact CE1-CG 4.26Å; Y153-T173 HydrophobicContact CD1-CG2 4.22Å; Y153-T173 HydrophobicContact CE1-CG2 3.76Å
154	L	49.6	Very low	48	Very low	59 Å²	59	81.5 Å²	81.5	31%	0.309	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.4	166.9	-104.4	77.5	0	0	0	108.9	T124 I139 L174	T124-L154 HydrophobicContact CG2-CD1 3.36Å; T124-L154 HydrophobicContact CG2-CD2 3.5Å; T124-L154 VanDerWaalsContact CG2-CD2 3.5Å; T124-L154 HydrophobicContact CG2-CG 4.05Å; I139-L154 HydrophobicContact CD1-CD1 4.42Å; I139-L154 HydrophobicContact CG1-CD1 4.09Å; I139-L154 HydrophobicContact CG2-CD1 4.46Å; L154-L174 HydrophobicContact CD1-CD1 4.16Å
155	G	46.9	Very low	47.4	Very low	62 Å²	62	82.9 Å²	82.9	64%	0.639	46%	0.457	S	S	*	.	S	Bend	trans	93	14	157.2	0	0	0	0	0	118.1
156	S	43.6	Very low	47	Very low	23 Å²	23	81.7 Å²	81.7	16%	0.161	45%	0.45	C	S	.	.			trans	-98.4	139.7	169.2	33.9	0	0	0	0	111.2	L140 E160	L140-S156 VanDerWaalsContact CD1-O 3.29Å; L140-S156 WeakPolarHBondContact CD1-O 3.29Å; S156-E160 WeakPolarHBondContact CA-OE2 3.49Å
157	T	46.9	Very low	46.8	Very low	80 Å²	80	85.5 Å²	85.5	49%	0.491	47%	0.468	S	S	.	.			trans	-64.8	154.8	163.6	55.6	0	0	0	0	108.8	E159 E160 A161	T157-E159 PolarHBondContact O-N 3.14Å; T157-E160 PolarHBondContact O-N 2.72Å; T157-A161 PolarHBondContact O-N 3.11Å
158	A	45.1	Very low	46.6	Very low	70 Å²	70	85.4 Å²	85.4	58%	0.579	46%	0.462	S	S	*	.	H	α-helix	trans	-53.7	-27.1	177.6	0	0	0	0	0	112.8
159	E	47.3	Very low	46.6	Very low	162 Å²	162	92 Å²	92	76%	0.757	48%	0.479	S	S	*	.	H	α-helix	trans	-70.9	-29.8	176	-68.2	175	157.1	0	0	113.7	T157	T157-E159 PolarHBondContact O-N 3.14Å
160	E	46.9	Very low	46.7	Very low	104 Å²	104	93.2 Å²	93.2	49%	0.486	49%	0.489	S	S	.	.	H	α-helix	trans	-80.4	-32.4	178	-74.4	178.3	164.8	0	0	112.1	S156 T157 E162 Y163 F164	S156-E160 WeakPolarHBondContact CA-OE2 3.49Å; T157-E160 PolarHBondContact O-N 2.72Å; E160-E162 PolarHBondContact O-N 3.07Å; E160-Y163 PolarHBondContact O-N 3.32Å; E160-F164 WeakPolarHBondContact O-CD2 3.42Å; E160-F164 WeakPolarHBondContact O-CE2 3.49Å
161	A	46.9	Very low	46.5	Very low	20 Å²	20	101.7 Å²	101.7	17%	0.165	53%	0.525	C	S	.	.	H	α-helix	trans	-70	-29	179	0	0	0	0	0	113.2	L140 T157 Y163	L140-A161 HydrophobicContact CD1-CB 4.06Å; T157-A161 PolarHBondContact O-N 3.11Å; A161-Y163 VanDerWaalsContact C-N 3.3Å; A161-Y163 PolarHBondContact O-N 3.46Å
162	E	46.8	Very low	46.5	Very low	174 Å²	174	106 Å²	106	81%	0.813	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-17.8	175.8	-75.4	-174	164.5	0	0	113.5	E160	E160-E162 PolarHBondContact O-N 3.07Å
163	Y	45.7	Very low	46.4	Very low	211 Å²	211	107.8 Å²	107.8	83%	0.827	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-19.2	-176.9	-146.6	-94.4	0	0	0	114	E160 A161 G165	E160-Y163 PolarHBondContact O-N 3.32Å; A161-Y163 VanDerWaalsContact C-N 3.3Å; A161-Y163 PolarHBondContact O-N 3.46Å; Y163-G165 PolarHBondContact O-N 3.47Å
164	F	46.5	Very low	46.5	Very low	138 Å²	138	106.3 Å²	106.3	61%	0.605	55%	0.554	S	S	*	*			trans	-82.9	59.4	175.2	-63.7	-74.9	0	0	0	110.9	E160 T166	E160-F164 WeakPolarHBondContact O-CD2 3.42Å; E160-F164 WeakPolarHBondContact O-CE2 3.49Å; F164-T166 PolarHBondContact O-N 3.39Å
165	G	38.8	Very low	46.7	Very low	56 Å²	56	109 Å²	109	58%	0.577	56%	0.56	S	S	*	*			trans	-58.7	117.9	165.1	0	0	0	0	0	109.2	Y163 H167	Y163-G165 PolarHBondContact O-N 3.47Å; G165-H167 PolarHBondContact O-N 3.24Å
166	T	39.5	Very low	47.1	Very low	122 Å²	122	106.1 Å²	106.1	75%	0.748	53%	0.53	S	S	*	.	S	Bend	trans	22.5	88.6	158.7	57.4	0	0	0	0	114.2	F164	F164-T166 PolarHBondContact O-N 3.39Å
167	H	40.9	Very low	47.6	Very low	184 Å²	184	107.9 Å²	107.9	85%	0.852	54%	0.536	S	S	*	.	S	Bend	trans	171.4	-7.9	139.5	-87.5	-56	0	0	0	116.9	G165	G165-H167 PolarHBondContact O-N 3.24Å
168	E	42.9	Very low	47.8	Very low	176 Å²	176	105.6 Å²	105.6	82%	0.822	52%	0.52	S	S	*	.			trans	-141.5	111.9	172.1	-72	-175	155.8	0	0	111.1
169	Y	46.6	Very low	48.3	Very low	169 Å²	169	106.4 Å²	106.4	66%	0.663	51%	0.509	S	S	*	.			trans	-73.2	132.6	174.2	-67.7	-77.6	0	0	0	109.8
170	P	47.6	Very low	48.4	Very low	55 Å²	55	99.7 Å²	99.7	36%	0.357	48%	0.479	S	S	.	.			trans	-57.9	144.4	172	-3.2	7.7	0	0	0	110.5	Y153 D172 T173	Y153-P170 HydrophobicContact CD1-CG 4.27Å; Y153-P170 HydrophobicContact CE1-CG 4.26Å; P170-D172 PolarHBondContact O-N 2.65Å; P170-T173 PolarHBondContact O-N 2.8Å; P170-T173 VanDerWaalsContact O-N 3.17Å; P170-T173 PolarHBondContact O-OG1 3.1Å
171	K	48.7	Very low	48.3	Very low	208 Å²	208	101.5 Å²	101.5	90%	0.904	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.2	-178.2	-80.8	-177.8	175.8	177.1	0	114.3
172	D	53	Low	48.2	Very low	105 Å²	105	105.1 Å²	105.1	56%	0.561	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	26.9	-176.5	-55.5	-41.9	0	0	0	113.2	P170 L174	P170-D172 PolarHBondContact O-N 2.65Å; D172-L174 PolarHBondContact O-N 3.05Å
173	T	50.7	Low	48.1	Very low	38 Å²	38	99.4 Å²	99.4	23%	0.233	50%	0.502	C	S	.	.			trans	-74.8	115.3	175	-51.2	0	0	0	0	110.1	N151 Y153 P170	N151-T173 HydrophobicContact CB-CG2 4.13Å; Y153-T173 HydrophobicContact CD1-CG2 4.22Å; Y153-T173 HydrophobicContact CE1-CG2 3.76Å; P170-T173 PolarHBondContact O-N 2.8Å; P170-T173 VanDerWaalsContact O-N 3.17Å; P170-T173 PolarHBondContact O-OG1 3.1Å
174	L	55.1	Low	47.7	Very low	17 Å²	17	93.6 Å²	93.6	9%	0.089	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.7	172.8	-78.7	164.2	0	0	0	109.5	L120 Q123 T124 S152 L154 D172	L120-L174 HydrophobicContact CD2-CB 4.31Å; L120-L174 HydrophobicContact CD2-CD1 4.44Å; Q123-L174 HydrophobicContact CB-CD2 3.96Å; T124-L174 HydrophobicContact CG2-CD1 3.34Å; S152-L174 PolarHBondContact N-O 3.46Å; S152-L174 PolarHBondContact O-N 3.34Å; S152-L174 VanDerWaalsContact O-N 3.15Å; S152-L174 WeakPolarHBondContact OG-CB 3.31Å; S152-L174 PolarHBondContact OG-O 2.63Å; L154-L174 HydrophobicContact CD1-CD1 4.16Å; D172-L174 PolarHBondContact O-N 3.05Å
175	R	55.3	Low	47.3	Very low	116 Å²	116	96.6 Å²	96.6	44%	0.438	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125	179	-166.9	173.4	-177.4	-173.3	-5.7	110.1	H149	H149-R175 PolarHBondContact CE1-NH2 2.94Å; H149-R175 VanDerWaalsContact CG-NH2 3.29Å; H149-R175 PolarHBondContact ND1-NE 2.95Å; H149-R175 PolarHBondContact ND1-NH2 3.39Å; H149-R175 VanDerWaalsContact ND1-NH2 3.17Å
176	I	54.5	Low	47.3	Very low	1 Å²	1	100.3 Å²	100.3	1%	0.005	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.3	177.7	-41.6	164.5	0	0	0	108.6	T116 L120 L150 L178	T116-I176 HydrophobicContact CG2-CD1 3.45Å; T116-I176 VanDerWaalsContact CG2-CD1 3.45Å; T116-I176 HydrophobicContact CG2-CG2 4.27Å; L120-I176 HydrophobicContact CD1-CD1 3.3Å; L120-I176 HydrophobicContact CD1-CG1 4.44Å; L120-I176 HydrophobicContact CD2-CD1 3.43Å; L120-I176 VanDerWaalsContact CD2-CD1 3.43Å; L120-I176 HydrophobicContact CD2-CG1 3.69Å; L120-I176 HydrophobicContact CG-CD1 3.26Å; L120-I176 HydrophobicContact CG-CG1 3.91Å; L150-I176 PolarHBondContact N-O 2.96Å; L150-I176 PolarHBondContact O-N 3.29Å; L150-I176 VanDerWaalsContact O-O 3.09Å; I176-L178 HydrophobicContact CG2-CD2 4.07Å
177	E	53.7	Low	47.5	Very low	60 Å²	60	104.1 Å²	104.1	28%	0.28	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	110.7	170.1	-50	-174.3	150.5	0	0	108.3	R111 G148 H149 Y179	R111-E177 IonicContact CZ-OE2 2.8Å; R111-E177 VanDerWaalsContact CZ-OE2 3.28Å; R111-E177 IonicContact NE-OE2 3.84Å; R111-E177 IonicContact NH2-OE2 3.79Å; R111-E177 PolarHBondContact NH2-OE2 3.48Å; G148-E177 CarbonylContact O-C 3.59Å; G148-E177 WeakPolarHBondContact O-CA 3.45Å; H149-E177 IonicContact CE1-OE1 3.03Å; H149-E177 PolarHBondContact CE1-OE1 3.46Å; E177-Y179 HydrophobicContact CB-CD2 3.93Å; E177-Y179 HydrophobicContact CB-CE2 3.45Å; E177-Y179 VanDerWaalsContact CB-CE2 3.45Å; E177-Y179 HydrophobicContact CG-CE2 4.38Å; E177-Y179 PolarHBondContact O-N 3.46Å; E177-Y179 WeakPolarHBondContact OE2-CE2 3.17Å
178	L	51.5	Low	47.7	Very low	31 Å²	31	103.6 Å²	103.6	16%	0.162	51%	0.511	C	S	.	.			trans	-83.9	102.8	173.7	-70.6	-154.5	0	0	0	110.3	T116 G148 L150 I176	T116-L178 HydrophobicContact CG2-CD2 3.63Å; T116-L178 WeakPolarHBondContact OG1-CD2 3.37Å; G148-L178 PolarHBondContact O-N 3.35Å; L150-L178 HydrophobicContact CB-CG 4.47Å; L150-L178 HydrophobicContact CD1-CD1 3.12Å; L150-L178 HydrophobicContact CD1-CD2 4.37Å; L150-L178 HydrophobicContact CD1-CG 3.61Å; L150-L178 HydrophobicContact CG-CD1 3.77Å; L150-L178 HydrophobicContact CG-CG 3.8Å; I176-L178 HydrophobicContact CG2-CD2 4.07Å
179	Y	54.7	Low	48	Very low	87 Å²	87	98.6 Å²	98.6	34%	0.341	49%	0.493	S	S	.	.			trans	-105.5	2.2	160.3	-59.8	-82.2	0	0	0	112.1	R111 Y112 E177	R111-Y179 HydrophobicContact CG-CD2 3.5Å; R111-Y179 VanDerWaalsContact CG-CD2 3.5Å; R111-Y179 HydrophobicContact CG-CE2 4.15Å; R111-Y179 HydrophobicContact CG-CG 4.06Å; Y112-Y179 HydrophobicContact CE1-CD1 4.34Å; Y112-Y179 HydrophobicContact CE1-CG 4.12Å; E177-Y179 HydrophobicContact CB-CD2 3.93Å; E177-Y179 HydrophobicContact CB-CE2 3.45Å; E177-Y179 VanDerWaalsContact CB-CE2 3.45Å; E177-Y179 HydrophobicContact CG-CE2 4.38Å; E177-Y179 PolarHBondContact O-N 3.46Å; E177-Y179 WeakPolarHBondContact OE2-CE2 3.17Å
180	T	50.6	Low	48.4	Very low	22 Å²	22	93.3 Å²	93.3	14%	0.135	48%	0.48	C	S	.	.	S	Bend	trans	-102.2	153.1	-179.6	62.5	0	0	0	0	111.4	V114	V114-T180 VanDerWaalsContact O-CG2 3.31Å; V114-T180 WeakPolarHBondContact O-CG2 3.45Å
181	N	44.1	Very low	49	Very low	141 Å²	141	94.4 Å²	94.4	75%	0.754	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-56	135	172.3	-101.7	-12.4	0	0	0	110.1	G183	N181-G183 PolarHBondContact O-N 2.93Å; N181-G183 VanDerWaalsContact O-N 3.1Å
182	P	45.2	Very low	49.3	Very low	97 Å²	97	87.5 Å²	87.5	63%	0.63	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-55.2	121.7	163.2	-13.1	25.6	0	0	0	106.3	T184	P182-T184 PolarHBondContact O-N 3.12Å
183	G	44.5	Very low	49.4	Very low	54 Å²	54	87.7 Å²	87.7	56%	0.557	46%	0.455	S	S	*	.			trans	-53	111.7	-177.6	0	0	0	0	0	109.7	N181 Y185	N181-G183 PolarHBondContact O-N 2.93Å; N181-G183 VanDerWaalsContact O-N 3.1Å; G183-Y185 PolarHBondContact O-N 3.36Å
184	T	36.8	Very low	49.9	Very low	89 Å²	89	90.3 Å²	90.3	55%	0.546	47%	0.467	S	S	.	.			trans	-65.1	97.1	158.5	31.6	0	0	0	0	105.6	P182 H186	P182-T184 PolarHBondContact O-N 3.12Å; T184-H186 PolarHBondContact O-N 2.86Å
185	Y	39.6	Very low	50.4	Low	200 Å²	200	90.1 Å²	90.1	78%	0.784	47%	0.467	S	S	*	.			trans	-65.5	69.3	165.3	-84.9	-88.6	0	0	0	108.6	G183	G183-Y185 PolarHBondContact O-N 3.36Å
186	H	38.5	Very low	50.8	Low	135 Å²	135	85.2 Å²	85.2	63%	0.625	45%	0.452	S	S	*	.			trans	-76.2	119.1	157.1	-74.7	-56.3	0	0	0	106.2	T184 L188 T189	T184-H186 PolarHBondContact O-N 2.86Å; H186-L188 PolarHBondContact O-N 3.29Å; H186-T189 PolarHBondContact O-N 3.41Å
187	Q	43.4	Very low	51.3	Low	201 Å²	201	86.5 Å²	86.5	94%	0.939	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	14.3	-174.4	-72.9	176.6	-28	0	0	115.5
188	L	45	Very low	51.7	Low	173 Å²	173	88 Å²	88	91%	0.906	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	-4.4	-171.8	-75.5	161.5	0	0	0	114.8	H186	H186-L188 PolarHBondContact O-N 3.29Å
189	T	48.8	Very low	52.5	Low	72 Å²	72	87.2 Å²	87.2	44%	0.442	48%	0.484	S	S	.	.	S	Bend	trans	-110.3	130.8	175.2	45.2	0	0	0	0	110	H186	H186-T189 PolarHBondContact O-N 3.41Å
190	S	54.5	Low	53.4	Low	57 Å²	57	83.1 Å²	83.1	40%	0.399	47%	0.468	S	S	.	.			trans	-64.8	145.3	177.5	75.2	0	0	0	0	109.3	D192 D193	S190-D192 PolarHBondContact O-N 3.38Å; S190-D192 VanDerWaalsContact O-N 3.09Å; S190-D193 PolarHBondContact N-OD2 2.94Å; S190-D193 WeakPolarHBondContact O-CB 3.3Å; S190-D193 PolarHBondContact O-N 2.9Å; S190-D193 PolarHBondContact OG-N 3.32Å; S190-D193 PolarHBondContact OG-OD2 2.92Å
191	H	61.4	Low	54.5	Low	78 Å²	78	87.6 Å²	87.6	36%	0.361	49%	0.485	S	S	.	.	H	α-helix	trans	-53.1	-30.8	175	177.7	-84.8	0	0	0	111.7	C115 C118 D193 L194 C195	C115-H191 PolarHBondContact SG-NE2 3.26Å; C118-H191 PolarHBondContact SG-CE1 3.33Å; H191-D193 VanDerWaalsContact C-N 3.29Å; H191-D193 PolarHBondContact O-N 3.36Å; H191-L194 PolarHBondContact O-N 3.32Å; H191-L194 VanDerWaalsContact O-N 3.1Å; H191-C195 PolarHBondContact O-N 3.49Å; H191-C195 VanDerWaalsContact O-N 3.09Å
192	D	53.9	Low	55.9	Low	63 Å²	63	84.2 Å²	84.2	34%	0.337	47%	0.473	S	S	.	.	H	α-helix	trans	-64.5	-28.3	177.6	-65.2	-7.9	0	0	0	113.4	H10 S190 L194	H10-D192 IonicContact CD2-OD1 3.81Å; H10-D192 IonicContact CE1-OD1 3.24Å; H10-D192 IonicContact CE1-OD2 2.62Å; H10-D192 IonicContact NE2-OD1 3.34Å; H10-D192 PolarHBondContact NE2-OD1 3.18Å; H10-D192 IonicContact NE2-OD2 3.55Å; H10-D192 PolarHBondContact NE2-OD2 3.3Å; H10-D192 VanDerWaalsContact NE2-OD2 3.12Å; S190-D192 PolarHBondContact O-N 3.38Å; S190-D192 VanDerWaalsContact O-N 3.09Å; D192-L194 VanDerWaalsContact C-N 3.25Å; D192-L194 PolarHBondContact O-N 2.98Å
193	D	56.4	Low	57.4	Low	109 Å²	109	81.1 Å²	81.1	58%	0.583	45%	0.453	S	S	*	.	H	α-helix	trans	-77	-14.9	176.1	-61.6	-50.5	0	0	0	112.5	S190 H191	S190-D193 PolarHBondContact N-OD2 2.94Å; S190-D193 WeakPolarHBondContact O-CB 3.3Å; S190-D193 PolarHBondContact O-N 2.9Å; S190-D193 PolarHBondContact OG-N 3.32Å; S190-D193 PolarHBondContact OG-OD2 2.92Å; H191-D193 VanDerWaalsContact C-N 3.29Å; H191-D193 PolarHBondContact O-N 3.36Å
194	L	60.4	Low	59.3	Low	93 Å²	93	78.6 Å²	78.6	49%	0.487	43%	0.427	S	S	.	.	H	α-helix	trans	-112.2	-19.3	-171.7	-67.3	170	0	0	0	113.6	H191 D192 A199	H191-L194 PolarHBondContact O-N 3.32Å; H191-L194 VanDerWaalsContact O-N 3.1Å; D192-L194 VanDerWaalsContact C-N 3.25Å; D192-L194 PolarHBondContact O-N 2.98Å; L194-A199 VanDerWaalsContact C-CB 3.45Å
195	C	65.8	Low	61.6	Low	13 Å²	13	77.2 Å²	77.2	9%	0.088	42%	0.416	C	S	.	.	S	Bend	trans	-134.3	143.5	-172.6	-178	0	0	0	0	112.8	A113 C115 H191	A113-C195 WeakPolarHBondContact O-CA 3.2Å; C115-C195 HydrophobicContact CB-CB 4.28Å; C115-C195 PolarHBondContact N-SG 3.49Å; H191-C195 PolarHBondContact O-N 3.49Å; H191-C195 VanDerWaalsContact O-N 3.09Å
196	G	64.7	Low	63.7	Low	13 Å²	13	75.4 Å²	75.4	13%	0.134	41%	0.408	C	S	.	.	S	Bend	trans	89.5	-164.4	172.6	0	0	0	0	0	114.7	A113 A198 A199 A200	A113-G196 PolarHBondContact O-N 3.39Å; G196-A198 VanDerWaalsContact C-N 3.3Å; G196-A198 PolarHBondContact O-N 3.02Å; G196-A199 PolarHBondContact O-N 2.96Å; G196-A200 WeakPolarHBondContact O-CB 3.41Å; G196-A200 PolarHBondContact O-N 3.16Å
197	A	64	Low	66.1	Low	29 Å²	29	70.3 Å²	70.3	24%	0.24	39%	0.385	C	S	.	.	H	α-helix	trans	-59.1	-36.5	-170.9	0	0	0	0	0	113.5	A200 L238 P240	A197-A200 PolarHBondContact O-N 3.41Å; A197-L238 WeakPolarHBondContact CB-O 3.41Å; A197-P240 WeakPolarHBondContact O-CG 3.15Å
198	A	62.6	Low	68.4	Low	91 Å²	91	67.6 Å²	67.6	75%	0.752	37%	0.37	S	S	*	.	H	α-helix	trans	-68.4	-39	179.3	0	0	0	0	0	112.4	G196	G196-A198 VanDerWaalsContact C-N 3.3Å; G196-A198 PolarHBondContact O-N 3.02Å
199	A	67.1	Low	70.6	Confident	15 Å²	15	62.8 Å²	62.8	12%	0.124	35%	0.351	C	S	.	.	H	α-helix	trans	-79.4	-25	177.1	0	0	0	0	0	113	L194 G196 K201 S202 C203	L194-A199 VanDerWaalsContact C-CB 3.45Å; G196-A199 PolarHBondContact O-N 2.96Å; A199-K201 VanDerWaalsContact C-N 3.28Å; A199-K201 PolarHBondContact O-N 2.84Å; A199-S202 PolarHBondContact O-N 3.35Å; A199-C203 PolarHBondContact O-N 3.08Å
200	A	74.5	Confident	72.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-55.2	-39.8	-174.5	0	0	0	0	0	113	V109 A113 G196 A197 S202 C203 L204 P240	V109-A200 HydrophobicContact CG2-CB 3.97Å; A113-A200 HydrophobicContact CB-CB 3.55Å; G196-A200 WeakPolarHBondContact O-CB 3.41Å; G196-A200 PolarHBondContact O-N 3.16Å; A197-A200 PolarHBondContact O-N 3.41Å; A200-S202 VanDerWaalsContact C-N 3.3Å; A200-S202 PolarHBondContact O-N 3.18Å; A200-C203 PolarHBondContact O-N 2.83Å; A200-L204 HydrophobicContact CB-CD1 4.12Å; A200-L204 HydrophobicContact CB-CG 4.4Å; A200-L204 WeakPolarHBondContact O-CB 3.36Å; A200-L204 VanDerWaalsContact O-CG 3.23Å; A200-L204 WeakPolarHBondContact O-CG 3.43Å; A200-L204 PolarHBondContact O-N 3.12Å; A200-P240 HydrophobicContact CB-CG 4.15Å
201	K	73.7	Confident	74.6	Confident	117 Å²	117	58.4 Å²	58.4	51%	0.509	32%	0.323	S	S	.	.	H	α-helix	trans	-56.2	-41.9	-178.2	-173.3	173.2	-176.9	174.1	0	113.6	A199 F249	A199-K201 VanDerWaalsContact C-N 3.28Å; A199-K201 PolarHBondContact O-N 2.84Å; K201-F249 HydrophobicContact CB-CD1 4.08Å; K201-F249 HydrophobicContact CB-CE1 3.9Å; K201-F249 HydrophobicContact CD-CE1 4Å; K201-F249 HydrophobicContact CG-CD1 3.88Å; K201-F249 HydrophobicContact CG-CE1 3.75Å
202	S	72.2	Confident	76.2	Confident	69 Å²	69	54.7 Å²	54.7	48%	0.483	31%	0.306	S	S	.	.	H	α-helix	trans	-75.5	-26.3	179.6	-174.4	0	0	0	0	112.4	A199 A200 N205 R206	A199-S202 PolarHBondContact O-N 3.35Å; A200-S202 VanDerWaalsContact C-N 3.3Å; A200-S202 PolarHBondContact O-N 3.18Å; S202-N205 PolarHBondContact O-OD1 2.85Å; S202-R206 VanDerWaalsContact O-CZ 3.3Å; S202-R206 PolarHBondContact O-NE 3.29Å; S202-R206 PolarHBondContact O-NH2 2.99Å
203	C	77.5	Confident	78	Confident	33 Å²	33	53.5 Å²	53.5	22%	0.223	30%	0.302	C	S	.	.	H	α-helix	trans	-79.1	-53	177.1	-170.4	0	0	0	0	111.3	Y112 A199 A200 N205 R206	Y112-C203 PolarHBondContact O-SG 2.82Å; A199-C203 PolarHBondContact O-N 3.08Å; A200-C203 PolarHBondContact O-N 2.83Å; C203-N205 VanDerWaalsContact C-N 3.34Å; C203-N205 PolarHBondContact O-N 3.08Å; C203-R206 PolarHBondContact O-N 3.34Å
204	L	85	Confident	79.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-35.6	-169.7	-65.6	-178.9	0	0	0	112.5	L108 A200 R206 L207 W239 F249 L250	L108-L204 HydrophobicContact CB-CD2 3.99Å; L108-L204 HydrophobicContact CD2-CD2 4.41Å; A200-L204 HydrophobicContact CB-CD1 4.12Å; A200-L204 HydrophobicContact CB-CG 4.4Å; A200-L204 WeakPolarHBondContact O-CB 3.36Å; A200-L204 VanDerWaalsContact O-CG 3.23Å; A200-L204 WeakPolarHBondContact O-CG 3.43Å; A200-L204 PolarHBondContact O-N 3.12Å; L204-R206 PolarHBondContact O-N 2.77Å; L204-R206 VanDerWaalsContact O-N 3.13Å; L204-L207 HydrophobicContact CD2-CD1 3.64Å; L204-L207 WeakPolarHBondContact O-CB 3.48Å; L204-L207 PolarHBondContact O-N 2.83Å; L204-L207 VanDerWaalsContact O-N 3.07Å; L204-W239 HydrophobicContact CD1-CE3 4.49Å; L204-W239 HydrophobicContact CD1-CH2 3.91Å; L204-W239 HydrophobicContact CD1-CZ3 3.57Å; L204-F249 CarbonylContact C-O 3.46Å; L204-F249 HydrophobicContact CB-CB 4.47Å; L204-F249 WeakPolarHBondContact CB-O 3.23Å; L204-F249 HydrophobicContact CD1-CB 4.47Å; L204-L250 HydrophobicContact CB-CD2 4.07Å
205	N	84.9	Confident	81.4	Confident	60 Å²	60	46.2 Å²	46.2	32%	0.321	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.1	-176.7	70.2	-4.3	0	0	0	114.1	S202 C203 F249 S252	S202-N205 PolarHBondContact O-OD1 2.85Å; C203-N205 VanDerWaalsContact C-N 3.34Å; C203-N205 PolarHBondContact O-N 3.08Å; N205-F249 WeakPolarHBondContact CA-O 3.43Å; N205-F249 PolarHBondContact N-O 2.72Å; N205-S252 WeakPolarHBondContact O-CB 3.14Å; N205-S252 PolarHBondContact O-OG 3.41Å
206	R	83.6	Confident	82.9	Confident	163 Å²	163	45.6 Å²	45.6	62%	0.615	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-10.9	177.6	-67.4	-176.1	-60.9	-137.8	1.7	113.3	S202 C203 L204 K208	S202-R206 VanDerWaalsContact O-CZ 3.3Å; S202-R206 PolarHBondContact O-NE 3.29Å; S202-R206 PolarHBondContact O-NH2 2.99Å; C203-R206 PolarHBondContact O-N 3.34Å; L204-R206 PolarHBondContact O-N 2.77Å; L204-R206 VanDerWaalsContact O-N 3.13Å; R206-K208 PolarHBondContact O-N 3.13Å
207	L	88.3	Confident	84.4	Confident	27 Å²	27	45 Å²	45	14%	0.141	26%	0.258	C	S	.	.			trans	-70.5	114.1	-176.4	-62.2	179.8	0	0	0	109.8	Y112 L204 V210 S252 L253	Y112-L207 HydrophobicContact CD1-CD1 4.05Å; Y112-L207 HydrophobicContact CD1-CD2 4.05Å; Y112-L207 HydrophobicContact CD2-CD1 4.05Å; Y112-L207 HydrophobicContact CE1-CD2 4.41Å; Y112-L207 HydrophobicContact CG-CD1 3.76Å; L204-L207 HydrophobicContact CD2-CD1 3.64Å; L204-L207 WeakPolarHBondContact O-CB 3.48Å; L204-L207 PolarHBondContact O-N 2.83Å; L204-L207 VanDerWaalsContact O-N 3.07Å; L207-V210 HydrophobicContact CB-CG2 4.01Å; L207-V210 HydrophobicContact CD1-CG2 3.82Å; L207-V210 HydrophobicContact CG-CG2 4.49Å; L207-S252 CarbonylContact O-C 3.58Å; L207-L253 VanDerWaalsContact O-CA 3.22Å; L207-L253 WeakPolarHBondContact O-CA 3.47Å; L207-L253 PolarHBondContact O-N 3.23Å
208	K	91.9	Very high	85.9	Confident	144 Å²	144	44.1 Å²	44.1	63%	0.626	25%	0.248	S	C	*	.	S	Bend	trans	-88.9	-31.7	171.8	-69	-173.6	177.3	-177.8	0	112.8	R206 S252 C254 D255	R206-K208 PolarHBondContact O-N 3.13Å; K208-S252 WeakPolarHBondContact CA-O 3.47Å; K208-C254 PolarHBondContact O-N 2.87Å; K208-D255 PolarHBondContact O-N 2.83Å
209	S	92.6	Very high	87.4	Confident	73 Å²	73	41.6 Å²	41.6	51%	0.51	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	135.1	179.8	-178.2	0	0	0	0	109	D255	S209-D255 CarbonylContact C-O 3.08Å; S209-D255 WeakPolarHBondContact CA-O 3.3Å
210	V	92.4	Very high	88.4	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.9	-179	161.5	0	0	0	0	109.2	L108 Y112 L207 L212 L253 D255 L256 E257	L108-V210 HydrophobicContact CD2-CB 4.47Å; L108-V210 HydrophobicContact CD2-CG1 3.75Å; L108-V210 HydrophobicContact CD2-CG2 3.91Å; Y112-V210 HydrophobicContact CE2-CB 4.44Å; Y112-V210 HydrophobicContact CE2-CG1 3.84Å; Y112-V210 HydrophobicContact CE2-CG2 4.17Å; L207-V210 HydrophobicContact CB-CG2 4.01Å; L207-V210 HydrophobicContact CD1-CG2 3.82Å; L207-V210 HydrophobicContact CG-CG2 4.49Å; V210-L212 HydrophobicContact CG1-CD1 4.05Å; V210-L212 HydrophobicContact CG1-CD2 4.01Å; V210-L212 HydrophobicContact CG1-CG 3.62Å; V210-L253 HydrophobicContact CB-CD1 3.88Å; V210-L253 HydrophobicContact CG2-CD1 3.62Å; V210-D255 PolarHBondContact N-O 3.33Å; V210-L256 HydrophobicContact CB-CD1 4.11Å; V210-L256 HydrophobicContact CG1-CD1 3.76Å; V210-E257 WeakPolarHBondContact O-CB 3.34Å; V210-E257 PolarHBondContact O-N 3.28Å
211	S	93.8	Very high	88.8	Confident	35 Å²	35	41.2 Å²	41.2	25%	0.245	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	112.5	170.1	-178.7	0	0	0	0	110.6	R111 Y112	R111-S211 WeakPolarHBondContact CD-O 3.2Å; R111-S211 PolarHBondContact NH1-O 3.38Å; Y112-S211 PolarHBondContact OH-N 3.03Å; Y112-S211 PolarHBondContact OH-O 3.37Å
212	L	94.3	Very high	88.8	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.			trans	-107.6	20.7	174.6	-58.1	177.8	0	0	0	111.4	L104 A107 L108 R111 Y112 V210 S214 M215 V217 E257 M258 C261	L104-L212 HydrophobicContact CD1-CD1 3.11Å; A107-L212 HydrophobicContact CB-CD1 4.24Å; A107-L212 HydrophobicContact CB-CD2 4.3Å; L108-L212 HydrophobicContact CD2-CD1 4.39Å; L108-L212 HydrophobicContact CG-CD1 4.34Å; R111-L212 HydrophobicContact CB-CD2 4.36Å; R111-L212 VanDerWaalsContact NH1-C 3.27Å; Y112-L212 HydrophobicContact CE2-CD2 3.96Å; V210-L212 HydrophobicContact CG1-CD1 4.05Å; V210-L212 HydrophobicContact CG1-CD2 4.01Å; V210-L212 HydrophobicContact CG1-CG 3.62Å; L212-S214 PolarHBondContact O-N 2.98Å; L212-M215 HydrophobicContact CB-SD 3.98Å; L212-M215 HydrophobicContact CD2-CE 4.44Å; L212-M215 HydrophobicContact CD2-SD 3.45Å; L212-M215 WeakPolarHBondContact CD2-SD 3.16Å; L212-M215 HydrophobicContact CG-SD 4.26Å; L212-M215 VanDerWaalsContact O-CB 3.31Å; L212-M215 WeakPolarHBondContact O-CB 3.47Å; L212-M215 WeakPolarHBondContact O-CG 3.05Å; L212-M215 PolarHBondContact O-N 3.01Å; L212-V217 HydrophobicContact CB-CG2 4.46Å; L212-V217 HydrophobicContact CD1-CG2 4.25Å; L212-E257 PolarHBondContact N-O 2.92Å; L212-M258 HydrophobicContact CB-CG 4.42Å; L212-C261 PolarHBondContact O-SG 3.42Å
213	S	93.4	Very high	88.4	Confident	38 Å²	38	34.4 Å²	34.4	27%	0.266	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	135.2	-176.5	-169.1	0	0	0	0	111.4	M215 S259	S213-M215 PolarHBondContact O-N 2.94Å; S213-M215 VanDerWaalsContact O-N 3.13Å; S213-S259 VanDerWaalsContact CA-O 3.26Å; S213-S259 WeakPolarHBondContact CA-O 3.29Å; S213-S259 PolarHBondContact OG-O 2.91Å; S213-S259 PolarHBondContact OG-OG 3.43Å
214	S	93.6	Very high	87.7	Confident	50 Å²	50	41.9 Å²	41.9	35%	0.35	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	10.3	-179.3	-51.9	0	0	0	0	116.2	Y17 F43 L212 S259 N260	Y17-S214 WeakPolarHBondContact CE1-O 3.38Å; F43-S214 WeakPolarHBondContact CZ-O 3.42Å; L212-S214 PolarHBondContact O-N 2.98Å; S214-S259 PolarHBondContact N-O 2.82Å; S214-N260 VanDerWaalsContact CA-O 3.3Å; S214-N260 WeakPolarHBondContact CA-O 3.48Å; S214-N260 PolarHBondContact OG-ND2 3.13Å
215	M	94.3	Very high	86.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-83	149.8	169.5	-63.3	178.6	83.8	0	0	110.3	I16 A107 Y110 R111 L212 S213 V217 C261	I16-M215 HydrophobicContact CD1-CE 3.1Å; A107-M215 HydrophobicContact CB-CE 3.67Å; A107-M215 HydrophobicContact CB-SD 4.18Å; A107-M215 WeakPolarHBondContact O-CE 3.3Å; Y110-M215 HydrophobicContact CD1-CE 3.9Å; R111-M215 HydrophobicContact CB-CE 3.97Å; R111-M215 HydrophobicContact CB-SD 4.14Å; R111-M215 PolarHBondContact NH1-SD 2.83Å; L212-M215 HydrophobicContact CB-SD 3.98Å; L212-M215 HydrophobicContact CD2-CE 4.44Å; L212-M215 HydrophobicContact CD2-SD 3.45Å; L212-M215 WeakPolarHBondContact CD2-SD 3.16Å; L212-M215 HydrophobicContact CG-SD 4.26Å; L212-M215 VanDerWaalsContact O-CB 3.31Å; L212-M215 WeakPolarHBondContact O-CB 3.47Å; L212-M215 WeakPolarHBondContact O-CG 3.05Å; L212-M215 PolarHBondContact O-N 3.01Å; S213-M215 PolarHBondContact O-N 2.94Å; S213-M215 VanDerWaalsContact O-N 3.13Å; M215-V217 HydrophobicContact CB-CG2 4.15Å; M215-V217 PolarHBondContact O-N 3.14Å; M215-C261 WeakPolarHBondContact O-CA 3.41Å; M215-C261 WeakPolarHBondContact O-CB 3.33Å; M215-C261 PolarHBondContact O-SG 3.47Å
216	P	96.3	Very high	86.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.			trans	-76.3	41.4	-176.7	32.2	-36.1	0	0	0	113.4	I16 Y17 V38 F43 G101 T102 Y218 L262	I16-P216 WeakPolarHBondContact O-CG 3.02Å; Y17-P216 HydrophobicContact CD1-CG 4.28Å; V38-P216 HydrophobicContact CB-CB 4.19Å; V38-P216 HydrophobicContact CG1-CB 4.02Å; V38-P216 HydrophobicContact CG2-CB 4.48Å; F43-P216 HydrophobicContact CE1-CB 3.92Å; F43-P216 HydrophobicContact CZ-CB 4.05Å; G101-P216 CarbonylContact C-O 3.26Å; G101-P216 VanDerWaalsContact CA-O 3.28Å; G101-P216 WeakPolarHBondContact CA-O 3.47Å; T102-P216 HydrophobicContact CG2-CG 4.01Å; T102-P216 PolarHBondContact N-O 3.19Å; P216-Y218 PolarHBondContact O-N 3.38Å; P216-L262 HydrophobicContact CB-CD1 3.5Å; P216-L262 HydrophobicContact CB-CG 4.18Å
217	V	96.7	Very high	85.7	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	126.3	178.2	179.5	0	0	0	0	109.3	T102 L104 A107 L212 M215 M258 C261 L262	T102-V217 HydrophobicContact CG2-CG2 4.25Å; T102-V217 WeakPolarHBondContact O-CA 3.24Å; L104-V217 HydrophobicContact CB-CG1 4.19Å; L104-V217 HydrophobicContact CD1-CG1 4.46Å; A107-V217 HydrophobicContact CB-CG2 3.36Å; L212-V217 HydrophobicContact CB-CG2 4.46Å; L212-V217 HydrophobicContact CD1-CG2 4.25Å; M215-V217 HydrophobicContact CB-CG2 4.15Å; M215-V217 PolarHBondContact O-N 3.14Å; V217-M258 HydrophobicContact CG1-SD 4.43Å; V217-C261 HydrophobicContact CB-CB 4.4Å; V217-C261 WeakPolarHBondContact O-CB 3.42Å; V217-L262 CarbonylContact O-C 3.49Å; V217-L262 WeakPolarHBondContact O-CA 3.5Å; V217-L262 PolarHBondContact O-N 3.35Å
218	Y	96.1	Very high	84.8	Confident	11 Å²	11	42 Å²	42	4%	0.043	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	-15	179.5	85.6	-88.1	0	0	0	114.2	C22 L100 T102 P216	C22-Y218 PolarHBondContact O-OH 3.28Å; L100-Y218 HydrophobicContact CB-CD1 4.24Å; L100-Y218 HydrophobicContact CB-CD2 4.31Å; L100-Y218 HydrophobicContact CB-CE1 4.09Å; L100-Y218 HydrophobicContact CB-CE2 4.16Å; L100-Y218 HydrophobicContact CB-CG 4.35Å; L100-Y218 HydrophobicContact CD1-CE2 4.41Å; L100-Y218 WeakPolarHBondContact O-CB 3.15Å; L100-Y218 VanDerWaalsContact O-CD1 3.31Å; L100-Y218 WeakPolarHBondContact O-CD1 3.42Å; T102-Y218 VanDerWaalsContact O-CD1 3.3Å; T102-Y218 WeakPolarHBondContact O-CD1 3.35Å; T102-Y218 PolarHBondContact O-N 3.02Å; T102-Y218 VanDerWaalsContact O-N 3.14Å; P216-Y218 PolarHBondContact O-N 3.38Å
219	R	92.7	Very high	83.6	Confident	37 Å²	37	39.9 Å²	39.9	14%	0.14	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	168.8	-180	65.6	175.1	-68.1	-171.6	-4.3	111.8	S103 L104 Y222 E234	S103-R219 CarbonylContact C-O 3.46Å; S103-R219 WeakPolarHBondContact CA-O 3.45Å; L104-R219 PolarHBondContact N-O 3.39Å; R219-Y222 VanDerWaalsContact NH2-CD1 3.25Å; R219-E234 IonicContact CZ-OE1 3.57Å; R219-E234 VanDerWaalsContact CZ-OE1 3.27Å; R219-E234 IonicContact CZ-OE2 3.81Å; R219-E234 IonicContact NH1-OE1 3.24Å; R219-E234 PolarHBondContact NH1-OE1 3.31Å; R219-E234 IonicContact NH1-OE2 2.76Å; R219-E234 PolarHBondContact NH1-OE2 2.97Å; R219-E234 IonicContact NH2-OE1 3.55Å; R219-E234 PolarHBondContact NH2-OE1 2.95Å; R219-E234 IonicContact NH2-OE2 2.92Å
220	A	89.3	Confident	82.5	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.008	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-92.7	157.1	154.1	0	0	0	0	0	110.5	L104 L246 I272	L104-A220 HydrophobicContact CB-CB 4.45Å; A220-L246 HydrophobicContact CB-CD1 3.89Å; A220-I272 HydrophobicContact CB-CB 4.4Å; A220-I272 HydrophobicContact CB-CG1 3.56Å
221	L	83.2	Confident	81.5	Confident	7 Å²	7	47.6 Å²	47.6	4%	0.037	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-76.1	137	159.4	-56.5	-179.1	0	0	0	107.4	C22 E105 E234 Q275	C22-L221 HydrophobicContact CB-CD2 4.29Å; E105-L221 VanDerWaalsContact CD-N 3.26Å; E105-L221 HydrophobicContact CG-CB 4.46Å; E105-L221 HydrophobicContact CG-CD1 4.44Å; E105-L221 HydrophobicContact CG-CG 4.46Å; E105-L221 PolarHBondContact OE1-N 2.86Å; E105-L221 WeakPolarHBondContact OE2-CG 3.26Å; E105-L221 PolarHBondContact OE2-N 3.04Å; L221-E234 HydrophobicContact CB-CB 4.19Å; L221-E234 HydrophobicContact CD2-CB 3.93Å; L221-E234 WeakPolarHBondContact CD2-OE2 3.43Å; L221-E234 HydrophobicContact CG-CB 4.44Å; L221-Q275 PolarHBondContact O-NE2 3.47Å
222	Y	72.4	Confident	80.4	Confident	29 Å²	29	53.2 Å²	53.2	11%	0.114	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-89.1	135	176	57.7	-96.2	0	0	0	108.8	R219 F228 Q231 Q232 E234	R219-Y222 VanDerWaalsContact NH2-CD1 3.25Å; Y222-F228 HydrophobicContact CG-CD2 4.48Å; Y222-Q231 HydrophobicContact CD2-CB 4.1Å; Y222-Q231 HydrophobicContact CE1-CB 4.31Å; Y222-Q231 HydrophobicContact CE2-CB 3.31Å; Y222-Q231 HydrophobicContact CE2-CG 4.47Å; Y222-Q231 VanDerWaalsContact CZ-CB 3.49Å; Y222-Q232 WeakPolarHBondContact CE2-O 3.42Å; Y222-Q232 VanDerWaalsContact CZ-O 3.26Å; Y222-Q232 PolarHBondContact OH-O 3.31Å; Y222-E234 HydrophobicContact CE1-CG 3.93Å; Y222-E234 WeakPolarHBondContact CE1-OE1 3.41Å; Y222-E234 PolarHBondContact O-N 2.93Å; Y222-E234 PolarHBondContact OH-OE1 3.46Å
223	G	64.2	Low	79.3	Confident	13 Å²	13	55.2 Å²	55.2	13%	0.134	29%	0.289	C	S	.	.			trans	-86	-177	159.5	0	0	0	0	0	111	S225 C245	G223-S225 PolarHBondContact O-N 2.82Å; G223-C245 VanDerWaalsContact CA-SG 3.58Å
224	K	63.2	Low	78.5	Confident	190 Å²	190	56.4 Å²	56.4	83%	0.826	29%	0.291	S	S	*	.	S	Bend	trans	-62.3	112.4	176.3	-171.4	175.1	-177.5	178.3	0	109.3	P233	K224-P233 HydrophobicContact CB-CG 4.37Å
225	S	65.5	Low	77.5	Confident	32 Å²	32	61.7 Å²	61.7	22%	0.224	30%	0.304	C	S	.	.			trans	-134.3	155.3	179.8	90.9	0	0	0	0	111.5	G223 F227 F228	G223-S225 PolarHBondContact O-N 2.82Å; S225-F227 PolarHBondContact O-N 2.89Å; S225-F227 VanDerWaalsContact O-N 3.14Å; S225-F227 PolarHBondContact OG-N 3.23Å; S225-F228 CarbonylContact O-C 3.5Å; S225-F228 PolarHBondContact O-N 3.13Å; S225-F228 VanDerWaalsContact OG-CD2 3.22Å; S225-F228 WeakPolarHBondContact OG-CD2 2.97Å; S225-F228 PolarHBondContact OG-N 3.38Å
226	D	71.5	Confident	76.4	Confident	141 Å²	141	62.4 Å²	62.4	75%	0.754	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.3	176	-64.6	-21.7	0	0	0	113.1
227	F	74.1	Confident	75	Confident	53 Å²	53	66.9 Å²	66.9	23%	0.232	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-21.1	178.4	-65	-89	0	0	0	112.7	S225 P229 I274 R325 L326 N329	S225-F227 PolarHBondContact O-N 2.89Å; S225-F227 VanDerWaalsContact O-N 3.14Å; S225-F227 PolarHBondContact OG-N 3.23Å; F227-P229 VanDerWaalsContact C-CD 3.41Å; F227-I274 HydrophobicContact CD2-CD1 4.21Å; F227-I274 HydrophobicContact CD2-CG1 3.84Å; F227-I274 HydrophobicContact CE2-CD1 3.59Å; F227-I274 HydrophobicContact CE2-CG1 3.71Å; F227-I274 HydrophobicContact CZ-CD1 3.86Å; F227-I274 HydrophobicContact CZ-CG1 4.4Å; F227-R325 HydrophobicContact CE1-CG 4.2Å; F227-L326 HydrophobicContact CB-CD1 4.36Å; F227-L326 HydrophobicContact CD1-CD1 4.22Å; F227-L326 HydrophobicContact CG-CD1 4.26Å; F227-N329 HydrophobicContact CE1-CB 3.97Å; F227-N329 HydrophobicContact CZ-CB 3.6Å
228	F	69.6	Low	73.7	Confident	28 Å²	28	67.9 Å²	67.9	12%	0.123	35%	0.346	C	S	.	.			trans	-127.7	57.4	179.5	-50.5	-67.4	0	0	0	111.1	Y222 S225 D230 Q231 E271 L326	Y222-F228 HydrophobicContact CG-CD2 4.48Å; S225-F228 CarbonylContact O-C 3.5Å; S225-F228 PolarHBondContact O-N 3.13Å; S225-F228 VanDerWaalsContact OG-CD2 3.22Å; S225-F228 WeakPolarHBondContact OG-CD2 2.97Å; S225-F228 PolarHBondContact OG-N 3.38Å; F228-D230 PolarHBondContact O-N 3.29Å; F228-Q231 HydrophobicContact CB-CB 4.04Å; F228-Q231 HydrophobicContact CB-CG 4.18Å; F228-Q231 PolarHBondContact O-N 2.99Å; F228-E271 HydrophobicContact CE1-CG 4.33Å; F228-E271 HydrophobicContact CE2-CG 3.95Å; F228-E271 HydrophobicContact CZ-CG 3.43Å; F228-E271 VanDerWaalsContact CZ-CG 3.43Å; F228-L326 HydrophobicContact CZ-CD1 4.14Å; F228-L326 HydrophobicContact CZ-CD2 4.1Å
229	P	65.9	Low	72.6	Confident	99 Å²	99	68 Å²	68	64%	0.643	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.9	-170.5	26.3	-35.4	0	0	0	113.3	F227	F227-P229 VanDerWaalsContact C-CD 3.41Å
230	D	70.6	Confident	71.2	Confident	150 Å²	150	66.7 Å²	66.7	80%	0.802	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-8.9	-176.8	-58.8	-42.7	0	0	0	113.4	F228	F228-D230 PolarHBondContact O-N 3.29Å
231	Q	70.3	Confident	69.7	Low	86 Å²	86	72.4 Å²	72.4	40%	0.402	38%	0.382	S	S	.	.	S	Bend	trans	-92.8	130.1	-176.6	-61.3	-171.9	-18.4	0	0	111.2	Y222 F228	Y222-Q231 HydrophobicContact CD2-CB 4.1Å; Y222-Q231 HydrophobicContact CE1-CB 4.31Å; Y222-Q231 HydrophobicContact CE2-CB 3.31Å; Y222-Q231 HydrophobicContact CE2-CG 4.47Å; Y222-Q231 VanDerWaalsContact CZ-CB 3.49Å; F228-Q231 HydrophobicContact CB-CB 4.04Å; F228-Q231 HydrophobicContact CB-CG 4.18Å; F228-Q231 PolarHBondContact O-N 2.99Å
232	Q	71.4	Confident	68.3	Low	153 Å²	153	76 Å²	76	72%	0.715	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-75.5	134.4	176.9	-67.4	-60.1	-43.6	0	0	110.6	Y222 E234	Y222-Q232 WeakPolarHBondContact CE2-O 3.42Å; Y222-Q232 VanDerWaalsContact CZ-O 3.26Å; Y222-Q232 PolarHBondContact OH-O 3.31Å; Q232-E234 PolarHBondContact O-N 3.39Å
233	P	72	Confident	67.5	Low	41 Å²	41	75.4 Å²	75.4	27%	0.266	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-49.5	129.6	179	-27	33.7	0	0	0	112	K224 Y235	K224-P233 HydrophobicContact CB-CG 4.37Å; P233-Y235 HydrophobicContact CB-CE2 4.19Å; P233-Y235 WeakPolarHBondContact O-CD2 3.23Å; P233-Y235 WeakPolarHBondContact O-CE2 3.25Å
234	E	75.6	Confident	67.3	Low	63 Å²	63	75.9 Å²	75.9	29%	0.294	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-87.5	139.5	175.8	-69.4	-176.1	-140.3	0	0	110.2	R219 L221 Y222 Q232	R219-E234 IonicContact CZ-OE1 3.57Å; R219-E234 VanDerWaalsContact CZ-OE1 3.27Å; R219-E234 IonicContact CZ-OE2 3.81Å; R219-E234 IonicContact NH1-OE1 3.24Å; R219-E234 PolarHBondContact NH1-OE1 3.31Å; R219-E234 IonicContact NH1-OE2 2.76Å; R219-E234 PolarHBondContact NH1-OE2 2.97Å; R219-E234 IonicContact NH2-OE1 3.55Å; R219-E234 PolarHBondContact NH2-OE1 2.95Å; R219-E234 IonicContact NH2-OE2 2.92Å; L221-E234 HydrophobicContact CB-CB 4.19Å; L221-E234 HydrophobicContact CD2-CB 3.93Å; L221-E234 WeakPolarHBondContact CD2-OE2 3.43Å; L221-E234 HydrophobicContact CG-CB 4.44Å; Y222-E234 HydrophobicContact CE1-CG 3.93Å; Y222-E234 WeakPolarHBondContact CE1-OE1 3.41Å; Y222-E234 PolarHBondContact O-N 2.93Å; Y222-E234 PolarHBondContact OH-OE1 3.46Å; Q232-E234 PolarHBondContact O-N 3.39Å
235	Y	71.6	Confident	67.6	Low	161 Å²	161	68 Å²	68	63%	0.631	38%	0.384	S	S	*	.			trans	-116.5	141.5	177.9	-62.7	-95.4	0	0	0	109.4	P233	P233-Y235 HydrophobicContact CB-CE2 4.19Å; P233-Y235 WeakPolarHBondContact O-CD2 3.23Å; P233-Y235 WeakPolarHBondContact O-CE2 3.25Å
236	S	72.3	Confident	68.5	Low	16 Å²	16	66.5 Å²	66.5	11%	0.112	37%	0.374	C	S	.	.			trans	-107.4	149.4	172	160.5	0	0	0	0	111.4	E106 L238 W239	E106-S236 WeakPolarHBondContact CG-OG 3.21Å; E106-S236 WeakPolarHBondContact OE1-CB 3.26Å; E106-S236 PolarHBondContact OE1-OG 2.89Å; S236-L238 VanDerWaalsContact C-N 3.27Å; S236-L238 PolarHBondContact O-N 2.7Å; S236-L238 PolarHBondContact OG-N 3.17Å; S236-L238 VanDerWaalsContact OG-N 3.08Å; S236-W239 PolarHBondContact O-N 2.72Å
237	S	66.9	Low	69	Low	94 Å²	94	62.8 Å²	62.8	66%	0.657	35%	0.354	S	S	*	.	S	Bend	trans	-63	-26.9	173.5	53.1	0	0	0	0	114.6
238	L	69.5	Low	69.3	Low	20 Å²	20	65.6 Å²	65.6	11%	0.105	37%	0.368	C	S	.	.	S	Bend	trans	-93.6	-20.8	177.5	-64.8	176.4	0	0	0	112.1	I13 I16 E106 V109 A197 S236	I13-L238 HydrophobicContact CG1-CD2 4.36Å; I13-L238 HydrophobicContact CG2-CD2 4.03Å; I16-L238 HydrophobicContact CG2-CD1 4.32Å; E106-L238 HydrophobicContact CB-CD1 4.26Å; E106-L238 HydrophobicContact CG-CB 4.23Å; E106-L238 HydrophobicContact CG-CD1 4.4Å; V109-L238 HydrophobicContact CB-CB 4.28Å; V109-L238 HydrophobicContact CG1-CB 4.1Å; V109-L238 WeakPolarHBondContact CG1-O 3.49Å; V109-L238 WeakPolarHBondContact CG2-O 3.14Å; A197-L238 WeakPolarHBondContact CB-O 3.41Å; S236-L238 VanDerWaalsContact C-N 3.27Å; S236-L238 PolarHBondContact O-N 2.7Å; S236-L238 PolarHBondContact OG-N 3.17Å; S236-L238 VanDerWaalsContact OG-N 3.08Å
239	W	72.9	Confident	69.9	Low	13 Å²	13	64.3 Å²	64.3	5%	0.049	36%	0.362	C	S	.	.	S	Bend	trans	-74	147	-180	-163.6	-120.9	0	0	0	111.2	E105 L108 V109 L204 S236 S241 G244 L246 F249	E105-W239 HydrophobicContact CB-CB 4.29Å; E105-W239 HydrophobicContact CB-CD2 3.51Å; E105-W239 HydrophobicContact CB-CE3 3.3Å; E105-W239 HydrophobicContact CB-CG 3.99Å; E105-W239 HydrophobicContact CB-CH2 4.28Å; E105-W239 HydrophobicContact CB-CZ2 4.47Å; E105-W239 HydrophobicContact CB-CZ3 3.71Å; E105-W239 HydrophobicContact CG-CD2 3.67Å; E105-W239 HydrophobicContact CG-CE3 3.83Å; E105-W239 HydrophobicContact CG-CG 4.19Å; E105-W239 HydrophobicContact CG-CH2 4.05Å; E105-W239 HydrophobicContact CG-CZ2 3.92Å; E105-W239 HydrophobicContact CG-CZ3 4.01Å; L108-W239 HydrophobicContact CD1-CZ3 4.49Å; V109-W239 HydrophobicContact CG2-CE3 3.83Å; V109-W239 HydrophobicContact CG2-CZ3 4.23Å; L204-W239 HydrophobicContact CD1-CE3 4.49Å; L204-W239 HydrophobicContact CD1-CH2 3.91Å; L204-W239 HydrophobicContact CD1-CZ3 3.57Å; S236-W239 PolarHBondContact O-N 2.72Å; W239-S241 PolarHBondContact O-N 2.66Å; W239-G244 PolarHBondContact NE1-O 3.38Å; W239-L246 HydrophobicContact CH2-CD2 4Å; W239-L246 HydrophobicContact CZ2-CD2 4.22Å; W239-F249 AromaticContact CE2-CD2 3.87Å; W239-F249 AromaticContact CE2-CE2 3.99Å; W239-F249 HydrophobicContact CH2-CB 3.88Å; W239-F249 HydrophobicContact CH2-CD2 4.15Å; W239-F249 HydrophobicContact CH2-CG 4.08Å; W239-F249 HydrophobicContact CZ2-CB 3.92Å; W239-F249 AromaticContact CZ2-CD2 3.33Å; W239-F249 HydrophobicContact CZ2-CD2 3.33Å; W239-F249 AromaticContact CZ2-CE2 3.94Å; W239-F249 HydrophobicContact CZ2-CE2 3.94Å; W239-F249 AromaticContact CZ2-CG 3.72Å; W239-F249 HydrophobicContact CZ2-CG 3.72Å; W239-F249 AromaticContact NE1-CE2 3.79Å
240	P	63.4	Low	71	Confident	10 Å²	10	59.7 Å²	59.7	7%	0.065	33%	0.332	C	S	.	.			trans	-53.9	126.8	176.8	-23.1	33.7	0	0	0	111.2	A197 A200 S242 G243 F249	A197-P240 WeakPolarHBondContact O-CG 3.15Å; A200-P240 HydrophobicContact CB-CG 4.15Å; P240-S242 PolarHBondContact O-N 2.93Å; P240-G243 PolarHBondContact O-N 3.48Å; P240-F249 HydrophobicContact CB-CE1 3.77Å; P240-F249 HydrophobicContact CB-CZ 3.83Å; P240-F249 HydrophobicContact CG-CD1 4.17Å; P240-F249 HydrophobicContact CG-CE1 3.58Å; P240-F249 HydrophobicContact CG-CZ 3.96Å
241	S	58	Low	71.8	Confident	121 Å²	121	56 Å²	56	85%	0.846	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-5.3	-172.3	45.7	0	0	0	0	114.8	W239 G243	W239-S241 PolarHBondContact O-N 2.66Å; S241-G243 PolarHBondContact O-N 2.85Å; S241-G243 VanDerWaalsContact O-N 3.16Å
242	S	52.9	Low	72.7	Confident	83 Å²	83	54 Å²	54	58%	0.58	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.2	178.2	59.4	0	0	0	0	113.7	P240	P240-S242 PolarHBondContact O-N 2.93Å
243	G	55.4	Low	73.8	Confident	16 Å²	16	46.7 Å²	46.7	17%	0.165	28%	0.28	C	S	.	.			trans	68.1	137.1	-167.1	0	0	0	0	0	110.5	P240 S241	P240-G243 PolarHBondContact O-N 3.48Å; S241-G243 PolarHBondContact O-N 2.85Å; S241-G243 VanDerWaalsContact O-N 3.16Å
244	G	59.9	Low	74.9	Confident	24 Å²	24	46.9 Å²	46.9	25%	0.247	28%	0.281	C	S	.	.			trans	167.1	143.3	179.2	0	0	0	0	0	110.9	W239 Q248	W239-G244 PolarHBondContact NE1-O 3.38Å; G244-Q248 VanDerWaalsContact CA-OE1 3.31Å
245	C	70.6	Confident	75.9	Confident	23 Å²	23	46.6 Å²	46.6	16%	0.155	28%	0.282	C	S	.	.			trans	-71.5	166.7	174.6	-40.4	0	0	0	0	109.4	G223 D247 Q248	G223-C245 VanDerWaalsContact CA-SG 3.58Å; C245-D247 VanDerWaalsContact CB-OD1 3.25Å; C245-D247 WeakPolarHBondContact CB-OD1 3.47Å; C245-D247 PolarHBondContact O-N 2.96Å; C245-D247 VanDerWaalsContact O-N 3.11Å; C245-Q248 PolarHBondContact O-N 3.12Å
246	L	85	Confident	77.2	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-54.6	-30.7	177.8	-66.6	168.7	0	0	0	112.6	L104 E105 L108 A220 W239 Q248 F249 L250 Q275 V276	L104-L246 HydrophobicContact CD2-CD1 3.69Å; L104-L246 HydrophobicContact CD2-CD2 4.33Å; L104-L246 HydrophobicContact CG-CD2 4.43Å; E105-L246 HydrophobicContact CG-CD2 3.87Å; L108-L246 HydrophobicContact CD1-CD2 4.29Å; A220-L246 HydrophobicContact CB-CD1 3.89Å; W239-L246 HydrophobicContact CH2-CD2 4Å; W239-L246 HydrophobicContact CZ2-CD2 4.22Å; L246-Q248 VanDerWaalsContact C-N 3.28Å; L246-Q248 PolarHBondContact O-N 2.94Å; L246-F249 PolarHBondContact O-N 3.25Å; L246-F249 VanDerWaalsContact O-N 3.14Å; L246-L250 HydrophobicContact CB-CD1 4.12Å; L246-L250 HydrophobicContact CD2-CD1 3.84Å; L246-L250 WeakPolarHBondContact O-CB 3.36Å; L246-L250 PolarHBondContact O-N 3.28Å; L246-Q275 HydrophobicContact CB-CB 3.85Å; L246-Q275 HydrophobicContact CD1-CB 4.11Å; L246-Q275 HydrophobicContact CG-CB 4.36Å; L246-Q275 VanDerWaalsContact N-OE1 3.09Å; L246-V276 HydrophobicContact CB-CG1 4.07Å
247	D	81.8	Confident	78.3	Confident	64 Å²	64	40.6 Å²	40.6	34%	0.342	26%	0.258	S	S	.	.	H	α-helix	trans	-54.3	-38.7	178.7	60.7	-0.2	0	0	0	114	C245 F249 Q275 W278	C245-D247 VanDerWaalsContact CB-OD1 3.25Å; C245-D247 WeakPolarHBondContact CB-OD1 3.47Å; C245-D247 PolarHBondContact O-N 2.96Å; C245-D247 VanDerWaalsContact O-N 3.11Å; D247-F249 VanDerWaalsContact C-N 3.32Å; D247-F249 PolarHBondContact O-N 3.27Å; D247-Q275 WeakPolarHBondContact CA-O 3.32Å; D247-Q275 VanDerWaalsContact CB-O 3.29Å; D247-Q275 WeakPolarHBondContact CB-O 3.26Å; D247-Q275 PolarHBondContact N-O 3.15Å; D247-W278 HydrophobicContact CB-CH2 3.59Å; D247-W278 HydrophobicContact CB-CZ2 4.49Å; D247-W278 HydrophobicContact CB-CZ3 4.23Å
248	Q	79.9	Confident	79.8	Confident	112 Å²	112	36.1 Å²	36.1	52%	0.523	23%	0.226	S	C	.	.	H	α-helix	trans	-72.8	-26.8	-177.2	-73.4	168.6	36.9	0	0	112.7	G244 C245 L246	G244-Q248 VanDerWaalsContact CA-OE1 3.31Å; C245-Q248 PolarHBondContact O-N 3.12Å; L246-Q248 VanDerWaalsContact C-N 3.28Å; L246-Q248 PolarHBondContact O-N 2.94Å
249	F	82.9	Confident	81.1	Confident	1 Å²	1	36 Å²	36	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-107.1	-21	-174.1	-65.2	-84	0	0	0	113.1	K201 L204 N205 W239 P240 L246 D247	K201-F249 HydrophobicContact CB-CD1 4.08Å; K201-F249 HydrophobicContact CB-CE1 3.9Å; K201-F249 HydrophobicContact CD-CE1 4Å; K201-F249 HydrophobicContact CG-CD1 3.88Å; K201-F249 HydrophobicContact CG-CE1 3.75Å; L204-F249 CarbonylContact C-O 3.46Å; L204-F249 HydrophobicContact CB-CB 4.47Å; L204-F249 WeakPolarHBondContact CB-O 3.23Å; L204-F249 HydrophobicContact CD1-CB 4.47Å; N205-F249 WeakPolarHBondContact CA-O 3.43Å; N205-F249 PolarHBondContact N-O 2.72Å; W239-F249 AromaticContact CE2-CD2 3.87Å; W239-F249 AromaticContact CE2-CE2 3.99Å; W239-F249 HydrophobicContact CH2-CB 3.88Å; W239-F249 HydrophobicContact CH2-CD2 4.15Å; W239-F249 HydrophobicContact CH2-CG 4.08Å; W239-F249 HydrophobicContact CZ2-CB 3.92Å; W239-F249 AromaticContact CZ2-CD2 3.33Å; W239-F249 HydrophobicContact CZ2-CD2 3.33Å; W239-F249 AromaticContact CZ2-CE2 3.94Å; W239-F249 HydrophobicContact CZ2-CE2 3.94Å; W239-F249 AromaticContact CZ2-CG 3.72Å; W239-F249 HydrophobicContact CZ2-CG 3.72Å; W239-F249 AromaticContact NE1-CE2 3.79Å; P240-F249 HydrophobicContact CB-CE1 3.77Å; P240-F249 HydrophobicContact CB-CZ 3.83Å; P240-F249 HydrophobicContact CG-CD1 4.17Å; P240-F249 HydrophobicContact CG-CE1 3.58Å; P240-F249 HydrophobicContact CG-CZ 3.96Å; L246-F249 PolarHBondContact O-N 3.25Å; L246-F249 VanDerWaalsContact O-N 3.14Å; D247-F249 VanDerWaalsContact C-N 3.32Å; D247-F249 PolarHBondContact O-N 3.27Å
250	L	88.3	Confident	82.2	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	24%	0.236	C	C	.	.			trans	-118.6	36.8	-174.2	-60.1	175.3	0	0	0	112.3	L108 L204 L246 S252 L253 V276 W278	L108-L250 HydrophobicContact CD1-CD1 3.65Å; L108-L250 HydrophobicContact CD1-CD2 4.18Å; L108-L250 HydrophobicContact CD1-CG 4.42Å; L204-L250 HydrophobicContact CB-CD2 4.07Å; L246-L250 HydrophobicContact CB-CD1 4.12Å; L246-L250 HydrophobicContact CD2-CD1 3.84Å; L246-L250 WeakPolarHBondContact O-CB 3.36Å; L246-L250 PolarHBondContact O-N 3.28Å; L250-S252 PolarHBondContact O-N 2.97Å; L250-L253 HydrophobicContact CB-CB 3.96Å; L250-L253 HydrophobicContact CB-CD2 4.3Å; L250-L253 HydrophobicContact CD1-CD2 3.96Å; L250-L253 WeakPolarHBondContact O-CB 3.26Å; L250-L253 PolarHBondContact O-N 3.28Å; L250-V276 HydrophobicContact CB-CG1 4.29Å; L250-V276 HydrophobicContact CD1-CG1 4.44Å; L250-W278 VanDerWaalsContact O-CZ2 3.3Å; L250-W278 WeakPolarHBondContact O-CZ2 3.09Å; L250-W278 PolarHBondContact O-NE1 3.48Å
251	S	86.9	Confident	83.8	Confident	71 Å²	71	36.9 Å²	36.9	50%	0.497	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-19.5	-174.6	59.2	0	0	0	0	115.2
252	S	89.9	Confident	85.7	Confident	44 Å²	44	31.2 Å²	31.2	31%	0.308	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-3.7	178.3	-57	0	0	0	0	114.3	N205 L207 K208 L250 C254	N205-S252 WeakPolarHBondContact O-CB 3.14Å; N205-S252 PolarHBondContact O-OG 3.41Å; L207-S252 CarbonylContact O-C 3.58Å; K208-S252 WeakPolarHBondContact CA-O 3.47Å; L250-S252 PolarHBondContact O-N 2.97Å; S252-C254 PolarHBondContact O-N 3.45Å
253	L	94.1	Very high	87.9	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.005	17%	0.165	C	C	.	.			trans	-71.1	116.7	-169.7	-177.3	69.1	0	0	0	112	L207 V210 L250 D255 W278 L279	L207-L253 VanDerWaalsContact O-CA 3.22Å; L207-L253 WeakPolarHBondContact O-CA 3.47Å; L207-L253 PolarHBondContact O-N 3.23Å; V210-L253 HydrophobicContact CB-CD1 3.88Å; V210-L253 HydrophobicContact CG2-CD1 3.62Å; L250-L253 HydrophobicContact CB-CB 3.96Å; L250-L253 HydrophobicContact CB-CD2 4.3Å; L250-L253 HydrophobicContact CD1-CD2 3.96Å; L250-L253 WeakPolarHBondContact O-CB 3.26Å; L250-L253 PolarHBondContact O-N 3.28Å; L253-D255 WeakPolarHBondContact CD1-O 3.5Å; L253-W278 PolarHBondContact O-NE1 3.44Å; L253-L279 HydrophobicContact CD2-CD1 4.28Å; L253-L279 HydrophobicContact CG-CD1 4.09Å
254	C	95.6	Very high	89.8	Confident	45 Å²	45	26.5 Å²	26.5	30%	0.304	16%	0.157	S	C	.	.			trans	-108.7	-31.7	177.3	-66.5	0	0	0	0	112.8	K208 S252 L279 K280 S281	K208-C254 PolarHBondContact O-N 2.87Å; S252-C254 PolarHBondContact O-N 3.45Å; C254-L279 WeakPolarHBondContact O-CD1 3.34Å; C254-K280 HydrophobicContact CB-CG 4.41Å; C254-K280 WeakPolarHBondContact O-CA 3.3Å; C254-K280 PolarHBondContact O-N 3.27Å; C254-S281 PolarHBondContact O-N 2.86Å
255	D	96.9	Very high	91.5	Very high	56 Å²	56	26.1 Å²	26.1	30%	0.299	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	122.2	-173	-49.7	-62.7	0	0	0	110.8	K208 S209 V210 L253 S281	K208-D255 PolarHBondContact O-N 2.83Å; S209-D255 CarbonylContact C-O 3.08Å; S209-D255 WeakPolarHBondContact CA-O 3.3Å; V210-D255 PolarHBondContact N-O 3.33Å; L253-D255 WeakPolarHBondContact CD1-O 3.5Å; D255-S281 WeakPolarHBondContact CA-O 3.33Å; D255-S281 WeakPolarHBondContact OD1-CB 3.3Å
256	L	97.3	Very high	92.7	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	115.5	-179.4	-179.7	59.1	0	0	0	111	L104 V210 M258 I272 L279 S281 L282 N283	L104-L256 HydrophobicContact CD2-CD2 4.48Å; V210-L256 HydrophobicContact CB-CD1 4.11Å; V210-L256 HydrophobicContact CG1-CD1 3.76Å; L256-M258 HydrophobicContact CD1-CG 3.97Å; L256-M258 HydrophobicContact CD1-SD 4.28Å; L256-M258 HydrophobicContact CD2-CE 3.63Å; L256-M258 HydrophobicContact CD2-CG 4.46Å; L256-M258 HydrophobicContact CD2-SD 3.93Å; L256-M258 HydrophobicContact CG-CE 3.99Å; L256-M258 HydrophobicContact CG-CG 3.98Å; L256-M258 HydrophobicContact CG-SD 4.12Å; L256-I272 HydrophobicContact CD2-CG2 3.89Å; L256-L279 HydrophobicContact CB-CD1 3.77Å; L256-L279 HydrophobicContact CB-CD2 4.1Å; L256-L279 HydrophobicContact CD2-CD2 4.48Å; L256-S281 PolarHBondContact N-O 3.12Å; L256-L282 HydrophobicContact CB-CD1 4.33Å; L256-L282 HydrophobicContact CD2-CD1 4.33Å; L256-L282 HydrophobicContact CG-CD1 4.34Å; L256-L282 WeakPolarHBondContact O-CA 3.39Å; L256-N283 PolarHBondContact O-N 3.47Å
257	E	96.5	Very high	93.1	Very high	47 Å²	47	25.6 Å²	25.6	22%	0.22	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.3	178.2	169.6	72.2	-108.1	0	0	109.9	V210 L212 S259 N283	V210-E257 WeakPolarHBondContact O-CB 3.34Å; V210-E257 PolarHBondContact O-N 3.28Å; L212-E257 PolarHBondContact N-O 2.92Å; E257-S259 WeakPolarHBondContact OE1-CB 3.36Å; E257-S259 PolarHBondContact OE1-N 3.4Å; E257-S259 VanDerWaalsContact OE1-N 3.08Å; E257-S259 PolarHBondContact OE1-OG 3.25Å; E257-N283 VanDerWaalsContact CD-CB 3.45Å; E257-N283 VanDerWaalsContact CD-CG 3.42Å; E257-N283 VanDerWaalsContact CD-ND2 3.26Å; E257-N283 WeakPolarHBondContact OE1-CB 3.39Å; E257-N283 PolarHBondContact OE1-ND2 3.25Å; E257-N283 VanDerWaalsContact OE1-ND2 3.16Å; E257-N283 WeakPolarHBondContact OE2-CB 3.3Å; E257-N283 PolarHBondContact OE2-ND2 2.74Å
258	M	97.4	Very high	93.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.128	C	C	.	.			trans	-131.5	38.5	179.7	-63	-176.1	-64.7	0	0	110.6	L104 L212 V217 L256 C261 L263 I272 L282 N283 V284 N287	L104-M258 HydrophobicContact CD1-SD 4.14Å; L212-M258 HydrophobicContact CB-CG 4.42Å; V217-M258 HydrophobicContact CG1-SD 4.43Å; L256-M258 HydrophobicContact CD1-CG 3.97Å; L256-M258 HydrophobicContact CD1-SD 4.28Å; L256-M258 HydrophobicContact CD2-CE 3.63Å; L256-M258 HydrophobicContact CD2-CG 4.46Å; L256-M258 HydrophobicContact CD2-SD 3.93Å; L256-M258 HydrophobicContact CG-CE 3.99Å; L256-M258 HydrophobicContact CG-CG 3.98Å; L256-M258 HydrophobicContact CG-SD 4.12Å; M258-C261 VanDerWaalsContact C-SG 3.52Å; M258-C261 PolarHBondContact O-SG 3.12Å; M258-L263 HydrophobicContact CB-CD1 3.99Å; M258-L263 HydrophobicContact CE-CD1 4.06Å; M258-L263 HydrophobicContact SD-CD1 4.43Å; M258-I272 HydrophobicContact CE-CD1 3.92Å; M258-I272 HydrophobicContact CE-CG2 4.48Å; M258-I272 HydrophobicContact SD-CD1 4.03Å; M258-L282 HydrophobicContact CE-CD1 3.86Å; M258-N283 CarbonylContact C-O 3.52Å; M258-N283 PolarHBondContact N-O 3.21Å; M258-V284 HydrophobicContact CB-CG1 4.49Å; M258-V284 HydrophobicContact CE-CG1 4.1Å; M258-N287 PolarHBondContact O-ND2 2.96Å
259	S	97	Very high	94.5	Very high	18 Å²	18	17.3 Å²	17.3	13%	0.126	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	146.1	174.6	50	0	0	0	0	112.9	S213 S214 E257 C261 S285	S213-S259 VanDerWaalsContact CA-O 3.26Å; S213-S259 WeakPolarHBondContact CA-O 3.29Å; S213-S259 PolarHBondContact OG-O 2.91Å; S213-S259 PolarHBondContact OG-OG 3.43Å; S214-S259 PolarHBondContact N-O 2.82Å; E257-S259 WeakPolarHBondContact OE1-CB 3.36Å; E257-S259 PolarHBondContact OE1-N 3.4Å; E257-S259 VanDerWaalsContact OE1-N 3.08Å; E257-S259 PolarHBondContact OE1-OG 3.25Å; S259-C261 VanDerWaalsContact C-N 3.26Å; S259-C261 PolarHBondContact O-N 3.17Å; S259-S285 CarbonylContact C-O 3.5Å; S259-S285 WeakPolarHBondContact CA-O 3.38Å; S259-S285 WeakPolarHBondContact CB-O 3.05Å
260	N	97	Very high	95.1	Very high	42 Å²	42	17.2 Å²	17.2	23%	0.225	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	39.4	178.6	-168.9	46.2	0	0	0	113.1	F43 S214 S285 N286	F43-N260 VanDerWaalsContact CE2-O 3.31Å; F43-N260 WeakPolarHBondContact CE2-O 3.31Å; S214-N260 VanDerWaalsContact CA-O 3.3Å; S214-N260 WeakPolarHBondContact CA-O 3.48Å; S214-N260 PolarHBondContact OG-ND2 3.13Å; N260-S285 PolarHBondContact N-O 3.3Å; N260-N286 HydrophobicContact CB-CB 4.21Å; N260-N286 PolarHBondContact OD1-ND2 2.74Å
261	C	97.5	Very high	95.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-95.8	-157.1	176.4	-67.8	0	0	0	0	110.6	L212 M215 V217 M258 S259 L263 N287	L212-C261 PolarHBondContact O-SG 3.42Å; M215-C261 WeakPolarHBondContact O-CA 3.41Å; M215-C261 WeakPolarHBondContact O-CB 3.33Å; M215-C261 PolarHBondContact O-SG 3.47Å; V217-C261 HydrophobicContact CB-CB 4.4Å; V217-C261 WeakPolarHBondContact O-CB 3.42Å; M258-C261 VanDerWaalsContact C-SG 3.52Å; M258-C261 PolarHBondContact O-SG 3.12Å; S259-C261 VanDerWaalsContact C-N 3.26Å; S259-C261 PolarHBondContact O-N 3.17Å; C261-L263 HydrophobicContact CB-CG 4.38Å; C261-N287 WeakPolarHBondContact CA-OD1 3.4Å; C261-N287 PolarHBondContact N-OD1 2.85Å; C261-N287 PolarHBondContact O-OD1 3.07Å; C261-N287 VanDerWaalsContact O-OD1 3.13Å
262	L	98.1	Very high	95.5	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	9%	0.087	C	C	.	.	S	Bend	trans	-106.5	21.4	175.7	-62.2	178.1	0	0	0	112.3	R36 V38 F43 L100 P216 V217 S264	R36-L262 HydrophobicContact CB-CB 3.81Å; R36-L262 HydrophobicContact CB-CD2 3.76Å; R36-L262 HydrophobicContact CB-CG 4.36Å; R36-L262 WeakPolarHBondContact CB-O 3.27Å; V38-L262 HydrophobicContact CB-CD1 4Å; V38-L262 HydrophobicContact CG1-CD1 4.14Å; F43-L262 HydrophobicContact CB-CD2 3.88Å; F43-L262 HydrophobicContact CD1-CD2 3.69Å; F43-L262 HydrophobicContact CD1-CG 4.41Å; F43-L262 HydrophobicContact CD2-CD2 3.87Å; F43-L262 HydrophobicContact CE1-CD1 4.5Å; F43-L262 HydrophobicContact CE1-CD2 4.17Å; F43-L262 HydrophobicContact CE1-CG 4.41Å; F43-L262 HydrophobicContact CE2-CD2 4.32Å; F43-L262 HydrophobicContact CG-CD2 3.54Å; F43-L262 HydrophobicContact CZ-CD2 4.46Å; L100-L262 WeakPolarHBondContact O-CD1 3.49Å; P216-L262 HydrophobicContact CB-CD1 3.5Å; P216-L262 HydrophobicContact CB-CG 4.18Å; V217-L262 CarbonylContact O-C 3.49Å; V217-L262 WeakPolarHBondContact O-CA 3.5Å; V217-L262 PolarHBondContact O-N 3.35Å; L262-S264 PolarHBondContact O-N 3.08Å
263	L	97.2	Very high	95.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.073	C	C	.	.			trans	-65.9	126.3	175.6	-60	168.9	0	0	0	109.7	M258 C261 I269 I272 V284 N287 I289	M258-L263 HydrophobicContact CB-CD1 3.99Å; M258-L263 HydrophobicContact CE-CD1 4.06Å; M258-L263 HydrophobicContact SD-CD1 4.43Å; C261-L263 HydrophobicContact CB-CG 4.38Å; L263-I269 HydrophobicContact CD1-CD1 4.45Å; L263-I269 HydrophobicContact CD1-CG1 4.18Å; L263-I269 HydrophobicContact CD2-CG1 4.37Å; L263-I272 HydrophobicContact CD2-CD1 4.19Å; L263-V284 HydrophobicContact CD1-CB 4.27Å; L263-V284 HydrophobicContact CD1-CG1 3.85Å; L263-N287 HydrophobicContact CB-CB 4.22Å; L263-N287 PolarHBondContact N-OD1 3.46Å; L263-I289 HydrophobicContact CB-CG1 4.48Å
264	S	96.7	Very high	95.6	Very high	1 Å²	1	15 Å²	15	1%	0.007	8%	0.081	C	C	.	.			trans	-126.3	-12.3	-172.1	77.9	0	0	0	0	114	L262 E268 R290	L262-S264 PolarHBondContact O-N 3.08Å; S264-E268 WeakPolarHBondContact CA-OE2 3.19Å; S264-E268 PolarHBondContact N-OE2 3.27Å; S264-E268 PolarHBondContact OG-OE1 2.85Å; S264-E268 PolarHBondContact OG-OE2 3.21Å; S264-R290 WeakPolarHBondContact O-CB 3.2Å; S264-R290 PolarHBondContact O-N 2.9Å
265	K	95.8	Very high	95.3	Very high	15 Å²	15	13.9 Å²	13.9	7%	0.065	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-142.6	146.5	-178.7	-55.9	175	175.3	-149.9	0	112	T267 E268 R290 D315	K265-T267 WeakPolarHBondContact CB-OG1 3.35Å; K265-T267 PolarHBondContact O-N 3.33Å; K265-E268 HydrophobicContact CB-CG 4Å; K265-E268 PolarHBondContact N-OE2 3.5Å; K265-E268 WeakPolarHBondContact O-CB 3.26Å; K265-E268 PolarHBondContact O-N 3.16Å; K265-R290 WeakPolarHBondContact CA-O 3.36Å; K265-D315 HydrophobicContact CD-CB 4.45Å; K265-D315 WeakPolarHBondContact CD-OD2 3.39Å; K265-D315 VanDerWaalsContact CE-OD1 3.22Å; K265-D315 WeakPolarHBondContact CE-OD1 3.4Å; K265-D315 HydrophobicContact CG-CB 4.27Å; K265-D315 IonicContact NZ-OD1 2.98Å; K265-D315 PolarHBondContact NZ-OD1 3.38Å; K265-D315 IonicContact NZ-OD2 3.71Å
266	W	95.8	Very high	95.1	Very high	5 Å²	5	11.3 Å²	11.3	2%	0.019	6%	0.058	C	C	.	.	H	α-helix	trans	-66.2	-27.1	172.9	-86.5	97	0	0	0	113	I269 A270 I289 R290 L291 F331 L337 L339 I353 W356 M357	W266-I269 HydrophobicContact CD2-CD1 4.44Å; W266-I269 HydrophobicContact CE3-CB 4.48Å; W266-I269 HydrophobicContact CE3-CD1 4.21Å; W266-I269 HydrophobicContact CE3-CG2 4.48Å; W266-I269 HydrophobicContact CZ3-CD1 4.44Å; W266-I269 HydrophobicContact CZ3-CG2 4.45Å; W266-I269 PolarHBondContact O-N 3.25Å; W266-A270 WeakPolarHBondContact O-CB 3.45Å; W266-A270 PolarHBondContact O-N 3.48Å; W266-I289 HydrophobicContact CB-CG2 4.29Å; W266-I289 HydrophobicContact CD2-CG2 4.09Å; W266-I289 HydrophobicContact CG-CG2 3.69Å; W266-I289 VanDerWaalsContact N-CG2 3.34Å; W266-R290 PolarHBondContact N-O 2.82Å; W266-R290 VanDerWaalsContact N-O 3.07Å; W266-L291 HydrophobicContact CB-CD2 4.36Å; W266-L291 HydrophobicContact CG-CD2 3.82Å; W266-F331 HydrophobicContact CE3-CZ 4.44Å; W266-F331 HydrophobicContact CZ3-CZ 4.44Å; W266-L337 HydrophobicContact CH2-CD2 4.42Å; W266-L339 HydrophobicContact CH2-CD1 4.34Å; W266-L339 HydrophobicContact CH2-CD2 3.99Å; W266-L339 HydrophobicContact CZ2-CD1 4.14Å; W266-L339 HydrophobicContact CZ2-CD2 3.99Å; W266-I353 HydrophobicContact CD2-CG1 4.43Å; W266-I353 HydrophobicContact CH2-CD1 4.13Å; W266-I353 HydrophobicContact CH2-CG1 4.15Å; W266-I353 HydrophobicContact CH2-CG2 3.8Å; W266-I353 HydrophobicContact CZ2-CD1 3.33Å; W266-I353 HydrophobicContact CZ2-CG1 3.7Å; W266-I353 HydrophobicContact CZ2-CG2 4.16Å; W266-I353 HydrophobicContact CZ3-CG2 4.34Å; W266-W356 HydrophobicContact CB-CZ3 4.14Å; W266-W356 HydrophobicContact CD2-CZ3 4.18Å; W266-W356 HydrophobicContact CE3-CZ3 4.28Å; W266-W356 HydrophobicContact CG-CZ3 4.12Å; W266-M357 HydrophobicContact CH2-CE 4.17Å; W266-M357 HydrophobicContact CZ3-CE 3.8Å
267	T	93.6	Very high	94.8	Very high	9 Å²	9	13.6 Å²	13.6	6%	0.055	7%	0.073	C	C	.	.	H	α-helix	trans	-64.6	-37.9	174.6	44.7	0	0	0	0	112.3	K265 I269 A270 E271 D315	K265-T267 WeakPolarHBondContact CB-OG1 3.35Å; K265-T267 PolarHBondContact O-N 3.33Å; T267-I269 VanDerWaalsContact C-N 3.31Å; T267-I269 PolarHBondContact O-N 3Å; T267-A270 PolarHBondContact O-N 3.45Å; T267-E271 WeakPolarHBondContact O-CB 3.37Å; T267-E271 WeakPolarHBondContact O-CG 3.43Å; T267-E271 PolarHBondContact O-N 2.92Å; T267-D315 PolarHBondContact OG1-OD2 3.06Å
268	E	94.1	Very high	94.7	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-62.6	-38.7	173.6	-64.3	158.4	179.7	0	0	111.5	R35 S264 K265 E271 I272	R35-E268 IonicContact CZ-OE1 3.55Å; R35-E268 IonicContact NE-OE1 2.81Å; R35-E268 PolarHBondContact NE-OE1 3.48Å; R35-E268 IonicContact NH2-OE1 3.27Å; R35-E268 PolarHBondContact NH2-OE1 2.89Å; S264-E268 WeakPolarHBondContact CA-OE2 3.19Å; S264-E268 PolarHBondContact N-OE2 3.27Å; S264-E268 PolarHBondContact OG-OE1 2.85Å; S264-E268 PolarHBondContact OG-OE2 3.21Å; K265-E268 HydrophobicContact CB-CG 4Å; K265-E268 PolarHBondContact N-OE2 3.5Å; K265-E268 WeakPolarHBondContact O-CB 3.26Å; K265-E268 PolarHBondContact O-N 3.16Å; E268-E271 WeakPolarHBondContact O-CB 3.45Å; E268-I272 WeakPolarHBondContact O-CG1 3.43Å; E268-I272 PolarHBondContact O-N 2.67Å
269	I	96.1	Very high	94.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-70.2	-41.4	177.2	-61	171.7	0	0	0	110.1	L263 W266 T267 E271 I272 C273 L282 V284 I289 F331	L263-I269 HydrophobicContact CD1-CD1 4.45Å; L263-I269 HydrophobicContact CD1-CG1 4.18Å; L263-I269 HydrophobicContact CD2-CG1 4.37Å; W266-I269 HydrophobicContact CD2-CD1 4.44Å; W266-I269 HydrophobicContact CE3-CB 4.48Å; W266-I269 HydrophobicContact CE3-CD1 4.21Å; W266-I269 HydrophobicContact CE3-CG2 4.48Å; W266-I269 HydrophobicContact CZ3-CD1 4.44Å; W266-I269 HydrophobicContact CZ3-CG2 4.45Å; W266-I269 PolarHBondContact O-N 3.25Å; T267-I269 VanDerWaalsContact C-N 3.31Å; T267-I269 PolarHBondContact O-N 3Å; I269-E271 VanDerWaalsContact C-N 3.35Å; I269-I272 WeakPolarHBondContact O-CB 3.48Å; I269-I272 PolarHBondContact O-N 3.43Å; I269-C273 PolarHBondContact O-N 2.92Å; I269-L282 HydrophobicContact CG2-CD2 3.76Å; I269-V284 HydrophobicContact CD1-CB 4.34Å; I269-V284 HydrophobicContact CD1-CG1 4.16Å; I269-V284 HydrophobicContact CD1-CG2 4.17Å; I269-I289 HydrophobicContact CD1-CD1 3.54Å; I269-I289 HydrophobicContact CD1-CG1 4.05Å; I269-I289 HydrophobicContact CD1-CG2 3.82Å; I269-F331 HydrophobicContact CG2-CE1 4.12Å; I269-F331 HydrophobicContact CG2-CZ 4.27Å
270	A	94.9	Very high	94.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.2	-36.7	177.4	0	0	0	0	0	112.1	W266 T267 I272 C273 I274 L326 A330 F331	W266-A270 WeakPolarHBondContact O-CB 3.45Å; W266-A270 PolarHBondContact O-N 3.48Å; T267-A270 PolarHBondContact O-N 3.45Å; A270-I272 VanDerWaalsContact C-N 3.27Å; A270-I272 PolarHBondContact O-N 2.86Å; A270-C273 PolarHBondContact O-N 3.34Å; A270-I274 WeakPolarHBondContact O-CB 3.5Å; A270-I274 WeakPolarHBondContact O-CG2 3.41Å; A270-I274 PolarHBondContact O-N 3.08Å; A270-L326 HydrophobicContact CB-CD1 4.41Å; A270-L326 HydrophobicContact CB-CD2 3.96Å; A270-L326 HydrophobicContact CB-CG 3.71Å; A270-A330 HydrophobicContact CB-CB 3.69Å; A270-A330 WeakPolarHBondContact O-CB 3.42Å; A270-F331 HydrophobicContact CB-CE2 4.43Å; A270-F331 HydrophobicContact CB-CZ 4.08Å
271	E	92	Very high	94.8	Very high	37 Å²	37	16.5 Å²	16.5	17%	0.173	8%	0.081	C	C	.	.	H	α-helix	trans	-59.8	-33.4	171.2	-84.3	164.5	-159.8	0	0	113.4	F228 T267 E268 I269 I274 Q275 L326	F228-E271 HydrophobicContact CE1-CG 4.33Å; F228-E271 HydrophobicContact CE2-CG 3.95Å; F228-E271 HydrophobicContact CZ-CG 3.43Å; F228-E271 VanDerWaalsContact CZ-CG 3.43Å; T267-E271 WeakPolarHBondContact O-CB 3.37Å; T267-E271 WeakPolarHBondContact O-CG 3.43Å; T267-E271 PolarHBondContact O-N 2.92Å; E268-E271 WeakPolarHBondContact O-CB 3.45Å; I269-E271 VanDerWaalsContact C-N 3.35Å; E271-I274 WeakPolarHBondContact O-CG2 3.15Å; E271-Q275 PolarHBondContact O-NE2 3.21Å; E271-Q275 VanDerWaalsContact O-NE2 3.14Å; E271-L326 HydrophobicContact CG-CD2 4.06Å
272	I	92.7	Very high	94.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-72	-55.8	172	-68.6	160.2	0	0	0	109.5	L104 A220 L256 M258 L263 E268 I269 A270 I274 Q275	L104-I272 HydrophobicContact CD2-CB 4.33Å; L104-I272 HydrophobicContact CD2-CD1 4.37Å; L104-I272 HydrophobicContact CD2-CG1 4Å; L104-I272 HydrophobicContact CD2-CG2 3.46Å; L104-I272 VanDerWaalsContact CD2-CG2 3.46Å; A220-I272 HydrophobicContact CB-CB 4.4Å; A220-I272 HydrophobicContact CB-CG1 3.56Å; L256-I272 HydrophobicContact CD2-CG2 3.89Å; M258-I272 HydrophobicContact CE-CD1 3.92Å; M258-I272 HydrophobicContact CE-CG2 4.48Å; M258-I272 HydrophobicContact SD-CD1 4.03Å; L263-I272 HydrophobicContact CD2-CD1 4.19Å; E268-I272 WeakPolarHBondContact O-CG1 3.43Å; E268-I272 PolarHBondContact O-N 2.67Å; I269-I272 WeakPolarHBondContact O-CB 3.48Å; I269-I272 PolarHBondContact O-N 3.43Å; A270-I272 VanDerWaalsContact C-N 3.27Å; A270-I272 PolarHBondContact O-N 2.86Å; I272-I274 VanDerWaalsContact C-N 3.34Å; I272-I274 PolarHBondContact O-N 2.9Å; I272-Q275 PolarHBondContact O-N 3.19Å; I272-Q275 VanDerWaalsContact O-N 3.11Å
273	C	94.3	Very high	94.9	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.014	9%	0.087	C	C	.	.	H	α-helix	trans	-69.6	-27.7	-169.7	-68.8	0	0	0	0	113.9	I269 A270 Q275 V276 A330 F331	I269-C273 PolarHBondContact O-N 2.92Å; A270-C273 PolarHBondContact O-N 3.34Å; C273-Q275 PolarHBondContact O-N 3.5Å; C273-V276 CarbonylContact O-C 3.6Å; C273-V276 VanDerWaalsContact O-C 3.26Å; C273-V276 PolarHBondContact O-N 3.38Å; C273-A330 CarbonylContact C-O 3.44Å; C273-A330 HydrophobicContact CB-CB 4.23Å; C273-A330 WeakPolarHBondContact CB-O 3.42Å; C273-F331 HydrophobicContact CB-CD1 3.72Å; C273-F331 HydrophobicContact CB-CE1 3.57Å
274	I	91.7	Very high	94.9	Very high	33 Å²	33	17.6 Å²	17.6	17%	0.169	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.9	174.1	-160.7	68.2	0	0	0	112.2	F227 A270 E271 I272 L326 N329 A330	F227-I274 HydrophobicContact CD2-CD1 4.21Å; F227-I274 HydrophobicContact CD2-CG1 3.84Å; F227-I274 HydrophobicContact CE2-CD1 3.59Å; F227-I274 HydrophobicContact CE2-CG1 3.71Å; F227-I274 HydrophobicContact CZ-CD1 3.86Å; F227-I274 HydrophobicContact CZ-CG1 4.4Å; A270-I274 WeakPolarHBondContact O-CB 3.5Å; A270-I274 WeakPolarHBondContact O-CG2 3.41Å; A270-I274 PolarHBondContact O-N 3.08Å; E271-I274 WeakPolarHBondContact O-CG2 3.15Å; I272-I274 VanDerWaalsContact C-N 3.34Å; I272-I274 PolarHBondContact O-N 2.9Å; I274-L326 HydrophobicContact CB-CD1 4.37Å; I274-L326 HydrophobicContact CG2-CD1 4.32Å; I274-N329 HydrophobicContact CD1-CB 4Å; I274-N329 WeakPolarHBondContact CD1-O 2.89Å; I274-A330 HydrophobicContact CB-CB 4.32Å; I274-A330 HydrophobicContact CD1-CB 4.44Å
275	Q	90.1	Very high	95	Very high	20 Å²	20	18 Å²	18	9%	0.093	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-11.3	176.4	-56.3	-176.3	58.1	0	0	113.2	L221 L246 D247 E271 I272 C273 P277	L221-Q275 PolarHBondContact O-NE2 3.47Å; L246-Q275 HydrophobicContact CB-CB 3.85Å; L246-Q275 HydrophobicContact CD1-CB 4.11Å; L246-Q275 HydrophobicContact CG-CB 4.36Å; L246-Q275 VanDerWaalsContact N-OE1 3.09Å; D247-Q275 WeakPolarHBondContact CA-O 3.32Å; D247-Q275 VanDerWaalsContact CB-O 3.29Å; D247-Q275 WeakPolarHBondContact CB-O 3.26Å; D247-Q275 PolarHBondContact N-O 3.15Å; E271-Q275 PolarHBondContact O-NE2 3.21Å; E271-Q275 VanDerWaalsContact O-NE2 3.14Å; I272-Q275 PolarHBondContact O-N 3.19Å; I272-Q275 VanDerWaalsContact O-N 3.11Å; C273-Q275 PolarHBondContact O-N 3.5Å; Q275-P277 VanDerWaalsContact C-CD 3.46Å
276	V	91.8	Very high	95.1	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.012	11%	0.105	C	C	.	.			trans	-129.6	63.5	176.9	-70.3	0	0	0	0	110.3	L246 L250 C273 W278 L279	L246-V276 HydrophobicContact CB-CG1 4.07Å; L250-V276 HydrophobicContact CB-CG1 4.29Å; L250-V276 HydrophobicContact CD1-CG1 4.44Å; C273-V276 CarbonylContact O-C 3.6Å; C273-V276 VanDerWaalsContact O-C 3.26Å; C273-V276 PolarHBondContact O-N 3.38Å; V276-W278 HydrophobicContact CG1-CZ2 4.4Å; V276-W278 PolarHBondContact O-N 3.12Å; V276-L279 HydrophobicContact CG2-CB 4.22Å; V276-L279 HydrophobicContact CG2-CD2 4.45Å; V276-L279 VanDerWaalsContact O-CB 3.31Å; V276-L279 WeakPolarHBondContact O-CB 3.24Å; V276-L279 PolarHBondContact O-N 3.22Å
277	P	91.5	Very high	95.2	Very high	52 Å²	52	20.4 Å²	20.4	34%	0.338	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-8.8	-169.4	27.5	-36.6	0	0	0	114.6	Q275 P332 Q333	Q275-P277 VanDerWaalsContact C-CD 3.46Å; P277-P332 HydrophobicContact CB-CG 4.14Å; P277-P332 WeakPolarHBondContact O-CG 3.43Å; P277-Q333 WeakPolarHBondContact O-CB 3.3Å; P277-Q333 WeakPolarHBondContact O-CG 3.4Å
278	W	94.3	Very high	95.3	Very high	67 Å²	67	23 Å²	23	25%	0.254	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-3.8	175.5	52.6	81.9	0	0	0	114	D247 L250 L253 V276 K280	D247-W278 HydrophobicContact CB-CH2 3.59Å; D247-W278 HydrophobicContact CB-CZ2 4.49Å; D247-W278 HydrophobicContact CB-CZ3 4.23Å; L250-W278 VanDerWaalsContact O-CZ2 3.3Å; L250-W278 WeakPolarHBondContact O-CZ2 3.09Å; L250-W278 PolarHBondContact O-NE1 3.48Å; L253-W278 PolarHBondContact O-NE1 3.44Å; V276-W278 HydrophobicContact CG1-CZ2 4.4Å; V276-W278 PolarHBondContact O-N 3.12Å; W278-K280 PolarHBondContact O-N 3.28Å
279	L	97	Very high	95.4	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.031	12%	0.115	C	C	.	.			trans	-55.1	134.1	-179.7	-168.3	75.1	0	0	0	111.2	L253 C254 L256 V276 L282 Q333 L334	L253-L279 HydrophobicContact CD2-CD1 4.28Å; L253-L279 HydrophobicContact CG-CD1 4.09Å; C254-L279 WeakPolarHBondContact O-CD1 3.34Å; L256-L279 HydrophobicContact CB-CD1 3.77Å; L256-L279 HydrophobicContact CB-CD2 4.1Å; L256-L279 HydrophobicContact CD2-CD2 4.48Å; V276-L279 HydrophobicContact CG2-CB 4.22Å; V276-L279 HydrophobicContact CG2-CD2 4.45Å; V276-L279 VanDerWaalsContact O-CB 3.31Å; V276-L279 WeakPolarHBondContact O-CB 3.24Å; V276-L279 PolarHBondContact O-N 3.22Å; L279-L282 HydrophobicContact CD2-CB 4.22Å; L279-L282 HydrophobicContact CD2-CD1 4.29Å; L279-Q333 CarbonylContact O-C 3.03Å; L279-L334 HydrophobicContact CD2-CD1 4.18Å; L279-L334 HydrophobicContact CG-CD1 4.28Å; L279-L334 WeakPolarHBondContact O-CA 3.44Å; L279-L334 PolarHBondContact O-N 3.47Å
280	K	98.1	Very high	95.4	Very high	77 Å²	77	23.6 Å²	23.6	34%	0.335	12%	0.115	S	C	.	.			trans	-107	-40.5	-176.2	-61.9	-60.8	176.3	-179.8	0	112.7	C254 W278 Q333 L334 S335 Q336	C254-K280 HydrophobicContact CB-CG 4.41Å; C254-K280 WeakPolarHBondContact O-CA 3.3Å; C254-K280 PolarHBondContact O-N 3.27Å; W278-K280 PolarHBondContact O-N 3.28Å; K280-Q333 HydrophobicContact CD-CB 4.48Å; K280-Q333 WeakPolarHBondContact CD-O 3.46Å; K280-L334 WeakPolarHBondContact O-CD1 3.44Å; K280-S335 PolarHBondContact O-N 3.17Å; K280-S335 PolarHBondContact O-OG 3.07Å; K280-Q336 PolarHBondContact O-N 3.33Å
281	S	98.5	Very high	95.4	Very high	18 Å²	18	24.1 Å²	24.1	13%	0.126	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.5	-179.3	-165.9	0	0	0	0	111.3	C254 D255 L256 Q336	C254-S281 PolarHBondContact O-N 2.86Å; D255-S281 WeakPolarHBondContact CA-O 3.33Å; D255-S281 WeakPolarHBondContact OD1-CB 3.3Å; L256-S281 PolarHBondContact N-O 3.12Å; S281-Q336 WeakPolarHBondContact CA-O 3.47Å; S281-Q336 PolarHBondContact OG-OE1 3.36Å
282	L	98.5	Very high	95.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.3	176.3	178.7	65.2	0	0	0	109.6	L256 M258 I269 L279 V284 F331 L334 Q336 L337 T338	L256-L282 HydrophobicContact CB-CD1 4.33Å; L256-L282 HydrophobicContact CD2-CD1 4.33Å; L256-L282 HydrophobicContact CG-CD1 4.34Å; L256-L282 WeakPolarHBondContact O-CA 3.39Å; M258-L282 HydrophobicContact CE-CD1 3.86Å; I269-L282 HydrophobicContact CG2-CD2 3.76Å; L279-L282 HydrophobicContact CD2-CB 4.22Å; L279-L282 HydrophobicContact CD2-CD1 4.29Å; L282-V284 HydrophobicContact CD1-CG1 3.8Å; L282-V284 HydrophobicContact CD2-CG1 4.27Å; L282-V284 HydrophobicContact CG-CG1 3.94Å; L282-F331 HydrophobicContact CD2-CE1 4.46Å; L282-L334 HydrophobicContact CB-CD1 3.64Å; L282-L334 HydrophobicContact CB-CD2 4.1Å; L282-L334 HydrophobicContact CB-CG 4.49Å; L282-L334 HydrophobicContact CD2-CD2 4.37Å; L282-Q336 PolarHBondContact N-O 3.15Å; L282-L337 HydrophobicContact CB-CD1 4.28Å; L282-L337 HydrophobicContact CD2-CD1 4.14Å; L282-L337 HydrophobicContact CG-CD1 4.31Å; L282-L337 WeakPolarHBondContact O-CA 3.16Å; L282-T338 PolarHBondContact O-N 3.15Å
283	N	98.4	Very high	95.1	Very high	25 Å²	25	24 Å²	24	13%	0.134	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.7	169.5	-173.2	-8.7	0	0	0	110	L256 E257 M258 S285 T338	L256-N283 PolarHBondContact O-N 3.47Å; E257-N283 VanDerWaalsContact CD-CB 3.45Å; E257-N283 VanDerWaalsContact CD-CG 3.42Å; E257-N283 VanDerWaalsContact CD-ND2 3.26Å; E257-N283 WeakPolarHBondContact OE1-CB 3.39Å; E257-N283 PolarHBondContact OE1-ND2 3.25Å; E257-N283 VanDerWaalsContact OE1-ND2 3.16Å; E257-N283 WeakPolarHBondContact OE2-CB 3.3Å; E257-N283 PolarHBondContact OE2-ND2 2.74Å; M258-N283 CarbonylContact C-O 3.52Å; M258-N283 PolarHBondContact N-O 3.21Å; N283-S285 WeakPolarHBondContact OD1-CB 3.42Å; N283-S285 PolarHBondContact OD1-N 2.97Å; N283-S285 PolarHBondContact OD1-OG 3.17Å; N283-T338 PolarHBondContact OD1-O 3.32Å
284	V	98.1	Very high	94.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.			trans	-126.6	27.9	177.2	-64.3	0	0	0	0	111.1	M258 L263 I269 L282 N287 I289 T338 L339	M258-V284 HydrophobicContact CB-CG1 4.49Å; M258-V284 HydrophobicContact CE-CG1 4.1Å; L263-V284 HydrophobicContact CD1-CB 4.27Å; L263-V284 HydrophobicContact CD1-CG1 3.85Å; I269-V284 HydrophobicContact CD1-CB 4.34Å; I269-V284 HydrophobicContact CD1-CG1 4.16Å; I269-V284 HydrophobicContact CD1-CG2 4.17Å; L282-V284 HydrophobicContact CD1-CG1 3.8Å; L282-V284 HydrophobicContact CD2-CG1 4.27Å; L282-V284 HydrophobicContact CG-CG1 3.94Å; V284-N287 WeakPolarHBondContact O-CB 3.44Å; V284-N287 PolarHBondContact O-ND2 2.96Å; V284-I289 HydrophobicContact CB-CD1 4Å; V284-I289 HydrophobicContact CG2-CD1 3.62Å; V284-T338 PolarHBondContact N-O 2.85Å; V284-T338 VanDerWaalsContact N-O 3.13Å; V284-L339 HydrophobicContact CG2-CD2 3.37Å
285	S	98.4	Very high	93.6	Very high	9 Å²	9	26 Å²	26	6%	0.063	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	154.7	179.7	-62.9	0	0	0	0	112.9	S259 N260 N283 N287 T338 V340	S259-S285 CarbonylContact C-O 3.5Å; S259-S285 WeakPolarHBondContact CA-O 3.38Å; S259-S285 WeakPolarHBondContact CB-O 3.05Å; N260-S285 PolarHBondContact N-O 3.3Å; N283-S285 WeakPolarHBondContact OD1-CB 3.42Å; N283-S285 PolarHBondContact OD1-N 2.97Å; N283-S285 PolarHBondContact OD1-OG 3.17Å; S285-N287 PolarHBondContact O-N 3.16Å; S285-N287 VanDerWaalsContact O-N 3.14Å; S285-N287 PolarHBondContact O-ND2 3.03Å; S285-T338 WeakPolarHBondContact OG-CG2 3.49Å; S285-V340 CarbonylContact C-O 3.38Å; S285-V340 VanDerWaalsContact CA-O 3.25Å; S285-V340 WeakPolarHBondContact CA-O 3.41Å; S285-V340 WeakPolarHBondContact CB-O 3.37Å; S285-V340 WeakPolarHBondContact OG-CB 3.35Å; S285-V340 PolarHBondContact OG-N 2.89Å
286	N	97.3	Very high	92.7	Very high	70 Å²	70	33.7 Å²	33.7	37%	0.374	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	27.2	176.5	-154.7	59.7	0	0	0	114.2	N260 V340 K341	N260-N286 HydrophobicContact CB-CB 4.21Å; N260-N286 PolarHBondContact OD1-ND2 2.74Å; N286-V340 PolarHBondContact N-O 3.1Å; N286-K341 WeakPolarHBondContact CA-O 3.4Å
287	N	97.8	Very high	91.6	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	18%	0.179	C	C	.	.			trans	-106	163.7	169.1	-73	-82.1	0	0	0	110.5	M258 C261 L263 V284 S285 I289	M258-N287 PolarHBondContact O-ND2 2.96Å; C261-N287 WeakPolarHBondContact CA-OD1 3.4Å; C261-N287 PolarHBondContact N-OD1 2.85Å; C261-N287 PolarHBondContact O-OD1 3.07Å; C261-N287 VanDerWaalsContact O-OD1 3.13Å; L263-N287 HydrophobicContact CB-CB 4.22Å; L263-N287 PolarHBondContact N-OD1 3.46Å; V284-N287 WeakPolarHBondContact O-CB 3.44Å; V284-N287 PolarHBondContact O-ND2 2.96Å; S285-N287 PolarHBondContact O-N 3.16Å; S285-N287 VanDerWaalsContact O-N 3.14Å; S285-N287 PolarHBondContact O-ND2 3.03Å; N287-I289 HydrophobicContact CB-CD1 3.93Å; N287-I289 HydrophobicContact CB-CG1 3.65Å
288	R	95.8	Very high	90.1	Very high	63 Å²	63	36.6 Å²	36.6	24%	0.238	18%	0.183	C	C	.	.			trans	-109	66.6	179.7	-62.4	-176.1	-176.4	-125.6	14.4	110.7	R36 T45 D65 R290 P343 L344	R36-R288 VanDerWaalsContact NH1-NE 3.17Å; T45-R288 WeakPolarHBondContact OG1-CD 3.46Å; D65-R288 IonicContact OD1-CZ 2.75Å; D65-R288 IonicContact OD1-NE 3.31Å; D65-R288 IonicContact OD1-NH2 3.64Å; D65-R288 PolarHBondContact OD1-NH2 2.91Å; R288-R290 PolarHBondContact O-N 3.45Å; R288-P343 HydrophobicContact CG-CG 3.98Å; R288-L344 HydrophobicContact CB-CD1 4.42Å
289	I	96.7	Very high	88	Confident	12 Å²	12	41.7 Å²	41.7	6%	0.062	21%	0.209	C	C	.	.			trans	-85.4	114	-167.7	-49.7	159.2	0	0	0	109.9	L263 W266 I269 V284 N287	L263-I289 HydrophobicContact CB-CG1 4.48Å; W266-I289 HydrophobicContact CB-CG2 4.29Å; W266-I289 HydrophobicContact CD2-CG2 4.09Å; W266-I289 HydrophobicContact CG-CG2 3.69Å; W266-I289 VanDerWaalsContact N-CG2 3.34Å; I269-I289 HydrophobicContact CD1-CD1 3.54Å; I269-I289 HydrophobicContact CD1-CG1 4.05Å; I269-I289 HydrophobicContact CD1-CG2 3.82Å; V284-I289 HydrophobicContact CB-CD1 4Å; V284-I289 HydrophobicContact CG2-CD1 3.62Å; N287-I289 HydrophobicContact CB-CD1 3.93Å; N287-I289 HydrophobicContact CB-CG1 3.65Å
290	R	95.8	Very high	85.9	Confident	1 Å²	1	48.6 Å²	48.6	0%	0.004	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-81.7	142.1	174.7	-63.7	179.1	-64.9	173.9	-8.5	110.7	I33 S264 K265 W266 R288 K311 L312 D315 L344	I33-R290 VanDerWaalsContact O-CZ 3.31Å; I33-R290 PolarHBondContact O-NH1 3.45Å; I33-R290 PolarHBondContact O-NH2 3.17Å; I33-R290 VanDerWaalsContact O-NH2 3.1Å; S264-R290 WeakPolarHBondContact O-CB 3.2Å; S264-R290 PolarHBondContact O-N 2.9Å; K265-R290 WeakPolarHBondContact CA-O 3.36Å; W266-R290 PolarHBondContact N-O 2.82Å; W266-R290 VanDerWaalsContact N-O 3.07Å; R288-R290 PolarHBondContact O-N 3.45Å; R290-K311 PolarHBondContact NH1-O 2.98Å; R290-L312 WeakPolarHBondContact CD-O 3.46Å; R290-D315 HydrophobicContact CB-CB 4.23Å; R290-L344 HydrophobicContact CB-CD1 4.47Å; R290-L344 HydrophobicContact CG-CD1 3.57Å
291	L	93.9	Very high	83.7	Confident	11 Å²	11	47.1 Å²	47.1	6%	0.058	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	143.9	172.1	-83.4	172.7	0	0	0	111.3	W266 D315 S349 I352 I353 W356	W266-L291 HydrophobicContact CB-CD2 4.36Å; W266-L291 HydrophobicContact CG-CD2 3.82Å; L291-D315 PolarHBondContact O-N 3.21Å; L291-S349 VanDerWaalsContact CD1-CA 3.43Å; L291-S349 VanDerWaalsContact CD1-OG 3.27Å; L291-S349 WeakPolarHBondContact CD1-OG 3.43Å; L291-I352 HydrophobicContact CD1-CD1 4.46Å; L291-I353 HydrophobicContact CD2-CG1 4.26Å; L291-W356 HydrophobicContact CD2-CH2 3.63Å; L291-W356 HydrophobicContact CD2-CZ3 3.82Å
292	P	92	Very high	81.3	Confident	12 Å²	12	54.9 Å²	54.9	8%	0.078	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	149.4	166.2	29.6	-34.7	0	0	0	110.3	S323 W356	P292-S323 VanDerWaalsContact CB-CB 3.5Å; P292-W356 HydrophobicContact CG-CH2 4.11Å; P292-W356 HydrophobicContact CG-CZ2 4.45Å
293	V	86.3	Confident	78.9	Confident	22 Å²	22	64.5 Å²	64.5	13%	0.133	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-66.1	139.7	174.9	-179.3	0	0	0	0	109.1	E297 I316 P320	V293-E297 HydrophobicContact CG1-CB 4.22Å; V293-I316 HydrophobicContact CG2-CB 4.26Å; V293-I316 HydrophobicContact CG2-CG2 3.88Å; V293-P320 WeakPolarHBondContact O-CB 3.29Å
294	S	79.1	Confident	76.6	Confident	33 Å²	33	68.6 Å²	68.6	23%	0.231	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-65.9	138.9	177.7	-178.8	0	0	0	0	110.7	K296 E297 V298	S294-K296 PolarHBondContact O-N 2.81Å; S294-K296 PolarHBondContact OG-N 2.98Å; S294-E297 PolarHBondContact O-N 3.47Å; S294-V298 WeakPolarHBondContact O-CG2 3.29Å
295	P	76	Confident	74.3	Confident	44 Å²	44	72.2 Å²	72.2	29%	0.286	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-52.8	-29.3	171.8	-27.3	34	0	0	0	113.8	V298 P320 V321 E324	P295-V298 WeakPolarHBondContact O-CG2 3.37Å; P295-P320 HydrophobicContact CB-CB 4.38Å; P295-P320 HydrophobicContact CG-CB 4.02Å; P295-V321 HydrophobicContact CB-CG2 4.37Å; P295-V321 HydrophobicContact CG-CG2 4.48Å; P295-E324 HydrophobicContact CG-CB 4.27Å
296	K	72.2	Confident	72.2	Confident	182 Å²	182	80.3 Å²	80.3	79%	0.791	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-75.5	-22.6	179.5	-63.7	-177.4	-179.5	179.6	0	113.6	S294	S294-K296 PolarHBondContact O-N 2.81Å; S294-K296 PolarHBondContact OG-N 2.98Å
297	E	67.8	Low	70.8	Confident	49 Å²	49	79.6 Å²	79.6	23%	0.229	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-92.8	-5.1	-176.9	-69.7	-178.9	-159.3	0	0	113.3	V293 S294 H299 D300 K301 K348	V293-E297 HydrophobicContact CG1-CB 4.22Å; S294-E297 PolarHBondContact O-N 3.47Å; E297-H299 PolarHBondContact O-N 3.39Å; E297-D300 PolarHBondContact O-N 2.91Å; E297-K301 IonicContact OE2-NZ 2.88Å; E297-K301 PolarHBondContact OE2-NZ 3.01Å; E297-K348 WeakPolarHBondContact OE1-CE 3.33Å; E297-K348 IonicContact OE1-NZ 3.91Å; E297-K348 PolarHBondContact OE1-NZ 3.34Å; E297-K348 IonicContact OE2-NZ 3.99Å
298	V	60.4	Low	69.6	Low	67 Å²	67	82 Å²	82	41%	0.406	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-23.2	-176.2	-176	0	0	0	0	111.8	S294 P295 P320	S294-V298 WeakPolarHBondContact O-CG2 3.29Å; P295-V298 WeakPolarHBondContact O-CG2 3.37Å; V298-P320 HydrophobicContact CG2-CB 4.04Å; V298-P320 HydrophobicContact CG2-CG 3.7Å
299	H	50	Low	68.9	Low	174 Å²	174	85.6 Å²	85.6	81%	0.806	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-16.8	-175.8	-73.6	-45.4	0	0	0	115.8	E297	E297-H299 PolarHBondContact O-N 3.39Å
300	D	52	Low	68.2	Low	151 Å²	151	86.4 Å²	86.4	81%	0.807	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-7	-177	-79	-31.5	0	0	0	114.7	E297	E297-D300 PolarHBondContact O-N 2.91Å
301	K	52.6	Low	67.8	Low	46 Å²	46	87.2 Å²	87.2	20%	0.2	43%	0.432	C	S	.	.			trans	-107.9	10.3	-165.9	-73.8	-177.6	171.4	171	0	117.1	E297 K303 E304 N305	E297-K301 IonicContact OE2-NZ 2.88Å; E297-K301 PolarHBondContact OE2-NZ 3.01Å; K301-K303 PolarHBondContact O-N 3.22Å; K301-E304 PolarHBondContact O-N 2.89Å; K301-N305 PolarHBondContact O-N 2.82Å
302	Q	48.1	Very low	67.6	Low	181 Å²	181	88.9 Å²	88.9	85%	0.846	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-8.1	176.4	-77	-172.7	-17	0	0	114.6
303	K	48.3	Very low	67.4	Low	201 Å²	201	92.3 Å²	92.3	87%	0.874	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-11.7	170.3	-77.4	-177	175.6	179.8	0	115.4	K301	K301-K303 PolarHBondContact O-N 3.22Å
304	E	49.4	Very low	67.7	Low	112 Å²	112	94.2 Å²	94.2	52%	0.523	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-13	-178.9	-73.8	-175	163.3	0	0	113.5	K301 E306 C307	K301-E304 PolarHBondContact O-N 2.89Å; E304-E306 PolarHBondContact O-N 2.85Å; E304-E306 VanDerWaalsContact O-N 3.07Å; E304-C307 PolarHBondContact O-N 2.89Å; E304-C307 VanDerWaalsContact O-N 3.13Å
305	N	50	Low	68.3	Low	76 Å²	76	92.6 Å²	92.6	41%	0.406	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-8.2	-180	-75.9	-15.7	0	0	0	114.6	K301	K301-N305 PolarHBondContact O-N 2.82Å
306	E	55.6	Low	68.9	Low	179 Å²	179	92.2 Å²	92.2	84%	0.836	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-12.8	174.6	-71.4	-176.1	168.5	0	0	113.7	E304 L308	E304-E306 PolarHBondContact O-N 2.85Å; E304-E306 VanDerWaalsContact O-N 3.07Å; E306-L308 PolarHBondContact O-N 3.15Å
307	C	67.8	Low	69.5	Low	55 Å²	55	87 Å²	87	37%	0.372	42%	0.423	S	S	.	.			trans	-77.3	123.3	-179.3	-166.9	0	0	0	0	111.5	E304 E309 S310 K311	E304-C307 PolarHBondContact O-N 2.89Å; E304-C307 VanDerWaalsContact O-N 3.13Å; C307-E309 PolarHBondContact O-N 3.06Å; C307-E309 VanDerWaalsContact O-N 3.17Å; C307-S310 WeakPolarHBondContact O-CB 3.31Å; C307-S310 PolarHBondContact O-N 3.42Å; C307-S310 VanDerWaalsContact O-N 3.11Å; C307-K311 PolarHBondContact O-N 3.2Å
308	L	71.8	Confident	70.4	Confident	52 Å²	52	86 Å²	86	27%	0.272	42%	0.422	S	S	.	.	H	α-helix	trans	-55.1	-31.3	175	-172.2	65.8	0	0	0	112.3	I33 C47 F82 E306 K311 L312	I33-L308 HydrophobicContact CD1-CD1 4.03Å; I33-L308 HydrophobicContact CG2-CD1 4.18Å; C47-L308 WeakPolarHBondContact O-CD1 3.46Å; F82-L308 HydrophobicContact CB-CD2 4.24Å; E306-L308 PolarHBondContact O-N 3.15Å; L308-K311 HydrophobicContact CD1-CD 4.48Å; L308-K311 WeakPolarHBondContact O-CB 3.37Å; L308-K311 PolarHBondContact O-N 3.37Å; L308-L312 PolarHBondContact O-N 3.22Å
309	E	81.9	Confident	71.8	Confident	138 Å²	138	86.7 Å²	86.7	65%	0.645	42%	0.423	S	S	*	.	H	α-helix	trans	-63.9	-44.5	177.8	-61.7	-177.3	165.4	0	0	111.7	C307 K311 L312 L313	C307-E309 PolarHBondContact O-N 3.06Å; C307-E309 VanDerWaalsContact O-N 3.17Å; E309-K311 VanDerWaalsContact C-N 3.26Å; E309-K311 PolarHBondContact O-N 2.94Å; E309-L312 PolarHBondContact O-N 3.21Å; E309-L313 VanDerWaalsContact O-CG 3.31Å; E309-L313 WeakPolarHBondContact O-CG 3.26Å; E309-L313 PolarHBondContact O-N 3.32Å
310	S	82	Confident	73.7	Confident	29 Å²	29	79.6 Å²	79.6	20%	0.203	39%	0.393	C	S	.	.	H	α-helix	trans	-58.8	-39.3	176.7	-61.5	0	0	0	0	111.7	C307 L312 L313 Y314	C307-S310 WeakPolarHBondContact O-CB 3.31Å; C307-S310 PolarHBondContact O-N 3.42Å; C307-S310 VanDerWaalsContact O-N 3.11Å; S310-L312 VanDerWaalsContact C-N 3.27Å; S310-L312 PolarHBondContact O-N 3.16Å; S310-L313 PolarHBondContact O-N 2.72Å; S310-Y314 PolarHBondContact O-N 2.99Å
311	K	86	Confident	75.5	Confident	18 Å²	18	76.9 Å²	76.9	8%	0.078	38%	0.381	C	S	.	.	H	α-helix	trans	-62.8	-32.5	175.5	-67.3	170.9	-177.4	178.1	0	112	E30 I33 R290 C307 L308 E309 I316 Y317	E30-K311 IonicContact OE2-NZ 2.97Å; E30-K311 PolarHBondContact OE2-NZ 3.1Å; I33-K311 HydrophobicContact CD1-CD 4.33Å; I33-K311 HydrophobicContact CG2-CB 3.9Å; R290-K311 PolarHBondContact NH1-O 2.98Å; C307-K311 PolarHBondContact O-N 3.2Å; L308-K311 HydrophobicContact CD1-CD 4.48Å; L308-K311 WeakPolarHBondContact O-CB 3.37Å; L308-K311 PolarHBondContact O-N 3.37Å; E309-K311 VanDerWaalsContact C-N 3.26Å; E309-K311 PolarHBondContact O-N 2.94Å; K311-I316 HydrophobicContact CB-CD1 4.46Å; K311-I316 HydrophobicContact CD-CD1 4.49Å; K311-I316 HydrophobicContact CG-CD1 3.48Å; K311-I316 VanDerWaalsContact CG-CD1 3.48Å; K311-I316 HydrophobicContact CG-CG1 4.33Å; K311-Y317 VanDerWaalsContact CD-OH 3.31Å; K311-Y317 WeakPolarHBondContact CD-OH 3.44Å; K311-Y317 VanDerWaalsContact CE-OH 3.23Å; K311-Y317 WeakPolarHBondContact CE-OH 3.32Å
312	L	90.2	Very high	77.3	Confident	45 Å²	45	79.7 Å²	79.7	24%	0.236	40%	0.398	C	S	.	.	H	α-helix	trans	-84.8	-22.2	179.4	-65.7	175.2	0	0	0	113.5	I33 T45 C47 R290 L308 E309 S310	I33-L312 HydrophobicContact CG2-CD2 3.74Å; I33-L312 HydrophobicContact CG2-CG 4.33Å; T45-L312 HydrophobicContact CG2-CD2 4.46Å; C47-L312 HydrophobicContact CB-CD1 4.49Å; R290-L312 WeakPolarHBondContact CD-O 3.46Å; L308-L312 PolarHBondContact O-N 3.22Å; E309-L312 PolarHBondContact O-N 3.21Å; S310-L312 VanDerWaalsContact C-N 3.27Å; S310-L312 PolarHBondContact O-N 3.16Å
313	L	88.9	Confident	79.4	Confident	84 Å²	84	71.3 Å²	71.3	44%	0.44	36%	0.359	S	S	.	.	H	α-helix	trans	-92.8	-35.3	-178.7	-65	175.3	0	0	0	113.2	E309 S310 L344	E309-L313 VanDerWaalsContact O-CG 3.31Å; E309-L313 WeakPolarHBondContact O-CG 3.26Å; E309-L313 PolarHBondContact O-N 3.32Å; S310-L313 PolarHBondContact O-N 2.72Å; L313-L344 HydrophobicContact CD2-CD2 3.88Å
314	Y	91.1	Very high	81.5	Confident	62 Å²	62	64.6 Å²	64.6	24%	0.243	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.8	-173.6	-59.3	-76	0	0	0	112.2	S310 I316	S310-Y314 PolarHBondContact O-N 2.99Å; Y314-I316 VanDerWaalsContact C-N 3.29Å; Y314-I316 PolarHBondContact O-N 3.14Å; Y314-I316 VanDerWaalsContact O-N 3.11Å
315	D	91.4	Very high	83.5	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	78.9	169.4	-177.9	25.3	0	0	0	109	K265 T267 R290 L291 Y317 S318	K265-D315 HydrophobicContact CD-CB 4.45Å; K265-D315 WeakPolarHBondContact CD-OD2 3.39Å; K265-D315 VanDerWaalsContact CE-OD1 3.22Å; K265-D315 WeakPolarHBondContact CE-OD1 3.4Å; K265-D315 HydrophobicContact CG-CB 4.27Å; K265-D315 IonicContact NZ-OD1 2.98Å; K265-D315 PolarHBondContact NZ-OD1 3.38Å; K265-D315 IonicContact NZ-OD2 3.71Å; T267-D315 PolarHBondContact OG1-OD2 3.06Å; R290-D315 HydrophobicContact CB-CB 4.23Å; L291-D315 PolarHBondContact O-N 3.21Å; D315-Y317 VanDerWaalsContact C-N 3.27Å; D315-Y317 PolarHBondContact O-N 3.32Å; D315-S318 PolarHBondContact OD1-OG 3Å; D315-S318 WeakPolarHBondContact OD2-CB 3.09Å; D315-S318 PolarHBondContact OD2-OG 3.4Å
316	I	88.5	Confident	85.6	Confident	36 Å²	36	62.6 Å²	62.6	19%	0.185	31%	0.314	C	S	.	.			trans	-78.2	-12.2	-174.3	68.5	168.2	0	0	0	113.9	V293 K311 Y314	V293-I316 HydrophobicContact CG2-CB 4.26Å; V293-I316 HydrophobicContact CG2-CG2 3.88Å; K311-I316 HydrophobicContact CB-CD1 4.46Å; K311-I316 HydrophobicContact CD-CD1 4.49Å; K311-I316 HydrophobicContact CG-CD1 3.48Å; K311-I316 VanDerWaalsContact CG-CD1 3.48Å; K311-I316 HydrophobicContact CG-CG1 4.33Å; Y314-I316 VanDerWaalsContact C-N 3.29Å; Y314-I316 PolarHBondContact O-N 3.14Å; Y314-I316 VanDerWaalsContact O-N 3.11Å
317	Y	86	Confident	87.4	Confident	72 Å²	72	54.1 Å²	54.1	28%	0.282	27%	0.274	S	S	.	.	S	Bend	trans	-96.7	-18.1	-173.1	-60.3	-61.1	0	0	0	113.3	E30 L31 K311 D315	E30-Y317 WeakPolarHBondContact CB-OH 3.18Å; E30-Y317 VanDerWaalsContact O-CE2 3.22Å; E30-Y317 WeakPolarHBondContact O-CE2 3.44Å; E30-Y317 PolarHBondContact O-OH 3.25Å; L31-Y317 HydrophobicContact CD2-CD1 3.39Å; L31-Y317 HydrophobicContact CD2-CD2 4.12Å; L31-Y317 HydrophobicContact CD2-CE1 3.82Å; L31-Y317 HydrophobicContact CD2-CE2 4.47Å; L31-Y317 HydrophobicContact CD2-CG 3.54Å; K311-Y317 VanDerWaalsContact CD-OH 3.31Å; K311-Y317 WeakPolarHBondContact CD-OH 3.44Å; K311-Y317 VanDerWaalsContact CE-OH 3.23Å; K311-Y317 WeakPolarHBondContact CE-OH 3.32Å; D315-Y317 VanDerWaalsContact C-N 3.27Å; D315-Y317 PolarHBondContact O-N 3.32Å
318	S	86.8	Confident	88.7	Confident	28 Å²	28	54.1 Å²	54.1	20%	0.196	28%	0.275	C	S	.	.	S	Bend	trans	-77.9	142.8	174.8	-60.6	0	0	0	0	110.3	D315 P320 S323	D315-S318 PolarHBondContact OD1-OG 3Å; D315-S318 WeakPolarHBondContact OD2-CB 3.09Å; D315-S318 PolarHBondContact OD2-OG 3.4Å; S318-P320 VanDerWaalsContact O-CD 3.24Å; S318-P320 WeakPolarHBondContact O-CD 3.14Å; S318-S323 WeakPolarHBondContact CB-OG 3.46Å
319	D	88.8	Confident	89.8	Confident	82 Å²	82	55.7 Å²	55.7	44%	0.439	28%	0.283	S	S	.	.			trans	-60.3	120.1	175.3	179.6	-78.3	0	0	0	109.8	V321 L322 S323	D319-V321 VanDerWaalsContact C-N 3.3Å; D319-V321 PolarHBondContact O-N 2.88Å; D319-V321 WeakPolarHBondContact OD1-CA 2.89Å; D319-V321 WeakPolarHBondContact OD1-CB 3.38Å; D319-V321 PolarHBondContact OD1-N 3.16Å; D319-L322 HydrophobicContact CB-CB 4.08Å; D319-L322 HydrophobicContact CB-CD1 4.02Å; D319-L322 HydrophobicContact CB-CG 4.13Å; D319-L322 PolarHBondContact O-N 2.99Å; D319-L322 WeakPolarHBondContact OD1-CG 3.23Å; D319-L322 PolarHBondContact OD1-N 2.79Å; D319-S323 VanDerWaalsContact O-CB 3.23Å; D319-S323 WeakPolarHBondContact O-CB 3.17Å; D319-S323 PolarHBondContact O-N 2.8Å; D319-S323 PolarHBondContact O-OG 3.37Å
320	P	89.7	Confident	90.4	Very high	25 Å²	25	49.2 Å²	49.2	16%	0.162	25%	0.254	C	S	.	.	H	α-helix	trans	-57.8	-38	-176.7	-32.8	40.9	0	0	0	114.2	V293 P295 V298 S318 E324	V293-P320 WeakPolarHBondContact O-CB 3.29Å; P295-P320 HydrophobicContact CB-CB 4.38Å; P295-P320 HydrophobicContact CG-CB 4.02Å; V298-P320 HydrophobicContact CG2-CB 4.04Å; V298-P320 HydrophobicContact CG2-CG 3.7Å; S318-P320 VanDerWaalsContact O-CD 3.24Å; S318-P320 WeakPolarHBondContact O-CD 3.14Å; P320-E324 WeakPolarHBondContact O-CB 3.49Å; P320-E324 PolarHBondContact O-N 3.11Å
321	V	90.3	Very high	91	Very high	94 Å²	94	48 Å²	48	57%	0.57	25%	0.245	S	C	*	.	H	α-helix	trans	-74.9	-45.6	-175.1	178.3	0	0	0	0	110.4	P295 D319 S323 E324 R325	P295-V321 HydrophobicContact CB-CG2 4.37Å; P295-V321 HydrophobicContact CG-CG2 4.48Å; D319-V321 VanDerWaalsContact C-N 3.3Å; D319-V321 PolarHBondContact O-N 2.88Å; D319-V321 WeakPolarHBondContact OD1-CA 2.89Å; D319-V321 WeakPolarHBondContact OD1-CB 3.38Å; D319-V321 PolarHBondContact OD1-N 3.16Å; V321-S323 VanDerWaalsContact C-N 3.35Å; V321-E324 PolarHBondContact O-N 3.4Å; V321-R325 WeakPolarHBondContact O-CB 3.18Å; V321-R325 PolarHBondContact O-N 3.49Å
322	L	90.1	Very high	91.4	Very high	104 Å²	104	49.9 Å²	49.9	55%	0.545	26%	0.258	S	S	.	.	H	α-helix	trans	-65.8	-39.9	175.9	-64	179.4	0	0	0	111.3	D319 R325 L326	D319-L322 HydrophobicContact CB-CB 4.08Å; D319-L322 HydrophobicContact CB-CD1 4.02Å; D319-L322 HydrophobicContact CB-CG 4.13Å; D319-L322 PolarHBondContact O-N 2.99Å; D319-L322 WeakPolarHBondContact OD1-CG 3.23Å; D319-L322 PolarHBondContact OD1-N 2.79Å; L322-R325 PolarHBondContact O-N 3.05Å; L322-L326 WeakPolarHBondContact O-CB 3.44Å; L322-L326 PolarHBondContact O-N 3.35Å
323	S	91.8	Very high	91.7	Very high	5 Å²	5	51.6 Å²	51.6	4%	0.035	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-47.1	176.9	-58.4	0	0	0	0	111.4	P292 S318 D319 V321 R325 L326 C327	P292-S323 VanDerWaalsContact CB-CB 3.5Å; S318-S323 WeakPolarHBondContact CB-OG 3.46Å; D319-S323 VanDerWaalsContact O-CB 3.23Å; D319-S323 WeakPolarHBondContact O-CB 3.17Å; D319-S323 PolarHBondContact O-N 2.8Å; D319-S323 PolarHBondContact O-OG 3.37Å; V321-S323 VanDerWaalsContact C-N 3.35Å; S323-R325 VanDerWaalsContact C-N 3.34Å; S323-R325 PolarHBondContact O-N 2.85Å; S323-L326 PolarHBondContact O-N 2.96Å; S323-C327 WeakPolarHBondContact O-CB 3.41Å; S323-C327 PolarHBondContact O-N 3.16Å; S323-C327 PolarHBondContact O-SG 2.86Å; S323-C327 VanDerWaalsContact O-SG 3.37Å
324	E	92.6	Very high	92.2	Very high	61 Å²	61	47.8 Å²	47.8	29%	0.285	25%	0.245	S	C	.	.	H	α-helix	trans	-62.3	-42.8	177.1	-174.2	61	-151	0	0	111.6	P295 P320 V321 S328 W356	P295-E324 HydrophobicContact CG-CB 4.27Å; P320-E324 WeakPolarHBondContact O-CB 3.49Å; P320-E324 PolarHBondContact O-N 3.11Å; V321-E324 PolarHBondContact O-N 3.4Å; E324-S328 VanDerWaalsContact O-CB 3.22Å; E324-S328 WeakPolarHBondContact O-CB 3.44Å; E324-S328 PolarHBondContact O-N 2.95Å; E324-S328 PolarHBondContact O-OG 3.26Å; E324-S328 PolarHBondContact OE1-OG 3.34Å; E324-W356 PolarHBondContact OE1-NE1 2.87Å; E324-W356 PolarHBondContact OE2-NE1 2.65Å
325	R	92.8	Very high	92.5	Very high	136 Å²	136	46 Å²	46	51%	0.513	24%	0.242	S	C	.	.	H	α-helix	trans	-62.3	-46	177.1	-177.1	-179.3	174.1	-159.9	-5.1	111.4	F227 V321 L322 S323 N329	F227-R325 HydrophobicContact CE1-CG 4.2Å; V321-R325 WeakPolarHBondContact O-CB 3.18Å; V321-R325 PolarHBondContact O-N 3.49Å; L322-R325 PolarHBondContact O-N 3.05Å; S323-R325 VanDerWaalsContact C-N 3.34Å; S323-R325 PolarHBondContact O-N 2.85Å; R325-N329 PolarHBondContact O-N 2.92Å; R325-N329 PolarHBondContact O-ND2 2.97Å
326	L	93	Very high	92.9	Very high	10 Å²	10	50.2 Å²	50.2	5%	0.052	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-55.1	178.6	174.5	65.1	0	0	0	110.8	F227 F228 A270 E271 I274 L322 S323 S328 N329 A330	F227-L326 HydrophobicContact CB-CD1 4.36Å; F227-L326 HydrophobicContact CD1-CD1 4.22Å; F227-L326 HydrophobicContact CG-CD1 4.26Å; F228-L326 HydrophobicContact CZ-CD1 4.14Å; F228-L326 HydrophobicContact CZ-CD2 4.1Å; A270-L326 HydrophobicContact CB-CD1 4.41Å; A270-L326 HydrophobicContact CB-CD2 3.96Å; A270-L326 HydrophobicContact CB-CG 3.71Å; E271-L326 HydrophobicContact CG-CD2 4.06Å; I274-L326 HydrophobicContact CB-CD1 4.37Å; I274-L326 HydrophobicContact CG2-CD1 4.32Å; L322-L326 WeakPolarHBondContact O-CB 3.44Å; L322-L326 PolarHBondContact O-N 3.35Å; S323-L326 PolarHBondContact O-N 2.96Å; L326-S328 VanDerWaalsContact C-N 3.34Å; L326-S328 PolarHBondContact O-N 2.81Å; L326-N329 PolarHBondContact O-N 3.35Å; L326-N329 VanDerWaalsContact O-N 3.12Å; L326-A330 WeakPolarHBondContact O-CB 3.36Å; L326-A330 PolarHBondContact O-N 3.17Å; L326-A330 VanDerWaalsContact O-N 3.07Å
327	C	94.5	Very high	93.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-41.5	-177.8	-68.6	0	0	0	0	112.5	S323 N329 A330 F331 W356	S323-C327 WeakPolarHBondContact O-CB 3.41Å; S323-C327 PolarHBondContact O-N 3.16Å; S323-C327 PolarHBondContact O-SG 2.86Å; S323-C327 VanDerWaalsContact O-SG 3.37Å; C327-N329 PolarHBondContact O-N 2.95Å; C327-A330 PolarHBondContact O-N 3.16Å; C327-F331 HydrophobicContact CB-CE2 4.46Å; C327-F331 VanDerWaalsContact O-CD2 3.23Å; C327-F331 WeakPolarHBondContact O-CD2 3.46Å; C327-F331 WeakPolarHBondContact O-CE2 3.45Å; C327-W356 HydrophobicContact CB-CD2 3.43Å; C327-W356 VanDerWaalsContact CB-CD2 3.43Å; C327-W356 VanDerWaalsContact CB-CE2 3.42Å; C327-W356 HydrophobicContact CB-CE3 3.7Å; C327-W356 HydrophobicContact CB-CG 3.9Å; C327-W356 HydrophobicContact CB-CH2 3.93Å; C327-W356 HydrophobicContact CB-CZ2 3.68Å; C327-W356 HydrophobicContact CB-CZ3 3.95Å
328	S	93.7	Very high	93.9	Very high	55 Å²	55	46.7 Å²	46.7	39%	0.385	25%	0.249	S	C	.	.	H	α-helix	trans	-64.9	-20.7	179.2	-64.1	0	0	0	0	114.2	E324 L326	E324-S328 VanDerWaalsContact O-CB 3.22Å; E324-S328 WeakPolarHBondContact O-CB 3.44Å; E324-S328 PolarHBondContact O-N 2.95Å; E324-S328 PolarHBondContact O-OG 3.26Å; E324-S328 PolarHBondContact OE1-OG 3.34Å; L326-S328 VanDerWaalsContact C-N 3.34Å; L326-S328 PolarHBondContact O-N 2.81Å
329	N	94.8	Very high	94.5	Very high	85 Å²	85	45.5 Å²	45.5	46%	0.455	24%	0.241	S	C	.	.	H	α-helix	trans	-104	-12.5	179.8	-72.8	-86.4	0	0	0	113.2	F227 I274 R325 L326 C327	F227-N329 HydrophobicContact CE1-CB 3.97Å; F227-N329 HydrophobicContact CZ-CB 3.6Å; I274-N329 HydrophobicContact CD1-CB 4Å; I274-N329 WeakPolarHBondContact CD1-O 2.89Å; R325-N329 PolarHBondContact O-N 2.92Å; R325-N329 PolarHBondContact O-ND2 2.97Å; L326-N329 PolarHBondContact O-N 3.35Å; L326-N329 VanDerWaalsContact O-N 3.12Å; C327-N329 PolarHBondContact O-N 2.95Å
330	A	94.8	Very high	95	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-78.8	-21	-172.1	0	0	0	0	0	114.7	A270 C273 I274 L326 C327 P332	A270-A330 HydrophobicContact CB-CB 3.69Å; A270-A330 WeakPolarHBondContact O-CB 3.42Å; C273-A330 CarbonylContact C-O 3.44Å; C273-A330 HydrophobicContact CB-CB 4.23Å; C273-A330 WeakPolarHBondContact CB-O 3.42Å; I274-A330 HydrophobicContact CB-CB 4.32Å; I274-A330 HydrophobicContact CD1-CB 4.44Å; L326-A330 WeakPolarHBondContact O-CB 3.36Å; L326-A330 PolarHBondContact O-N 3.17Å; L326-A330 VanDerWaalsContact O-N 3.07Å; C327-A330 PolarHBondContact O-N 3.16Å; A330-P332 WeakPolarHBondContact O-CD 3.42Å
331	F	95.9	Very high	95.3	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.018	24%	0.244	C	C	.	.			trans	-123.1	49.1	-170.6	-42.5	-74.6	0	0	0	114.7	W266 I269 A270 C273 L282 C327 Q333 L334 W356 M357	W266-F331 HydrophobicContact CE3-CZ 4.44Å; W266-F331 HydrophobicContact CZ3-CZ 4.44Å; I269-F331 HydrophobicContact CG2-CE1 4.12Å; I269-F331 HydrophobicContact CG2-CZ 4.27Å; A270-F331 HydrophobicContact CB-CE2 4.43Å; A270-F331 HydrophobicContact CB-CZ 4.08Å; C273-F331 HydrophobicContact CB-CD1 3.72Å; C273-F331 HydrophobicContact CB-CE1 3.57Å; L282-F331 HydrophobicContact CD2-CE1 4.46Å; C327-F331 HydrophobicContact CB-CE2 4.46Å; C327-F331 VanDerWaalsContact O-CD2 3.23Å; C327-F331 WeakPolarHBondContact O-CD2 3.46Å; C327-F331 WeakPolarHBondContact O-CE2 3.45Å; F331-Q333 VanDerWaalsContact C-N 3.32Å; F331-Q333 PolarHBondContact O-N 2.75Å; F331-L334 HydrophobicContact CB-CB 4.11Å; F331-L334 HydrophobicContact CB-CD2 4.48Å; F331-L334 HydrophobicContact CD1-CD2 4.19Å; F331-W356 HydrophobicContact CD2-CB 3.94Å; F331-W356 HydrophobicContact CE2-CB 4.33Å; F331-M357 HydrophobicContact CB-CG 3.79Å; F331-M357 HydrophobicContact CD1-CE 4.23Å; F331-M357 HydrophobicContact CD2-CE 4.05Å; F331-M357 HydrophobicContact CD2-CG 4.15Å; F331-M357 HydrophobicContact CE1-CE 4.36Å; F331-M357 HydrophobicContact CE2-CE 4.2Å; F331-M357 HydrophobicContact CG-CE 4.07Å; F331-M357 HydrophobicContact CG-CG 4.06Å; F331-M357 HydrophobicContact CZ-CE 4.36Å
332	P	94.5	Very high	95.6	Very high	56 Å²	56	43.1 Å²	43.1	36%	0.364	22%	0.22	S	C	.	.	S	Bend	trans	-65.9	-33.9	-172.6	27.6	-34.9	0	0	0	113.2	P277 A330 S359	P277-P332 HydrophobicContact CB-CG 4.14Å; P277-P332 WeakPolarHBondContact O-CG 3.43Å; A330-P332 WeakPolarHBondContact O-CD 3.42Å; P332-S359 PolarHBondContact O-OG 2.76Å
333	Q	96.7	Very high	95.8	Very high	82 Å²	82	42.1 Å²	42.1	38%	0.383	22%	0.22	S	C	.	.	S	Bend	trans	-112.5	-2.1	-172.1	-67.4	-162.3	39.5	0	0	114.8	P277 L279 K280 F331 S335	P277-Q333 WeakPolarHBondContact O-CB 3.3Å; P277-Q333 WeakPolarHBondContact O-CG 3.4Å; L279-Q333 CarbonylContact O-C 3.03Å; K280-Q333 HydrophobicContact CD-CB 4.48Å; K280-Q333 WeakPolarHBondContact CD-O 3.46Å; F331-Q333 VanDerWaalsContact C-N 3.32Å; F331-Q333 PolarHBondContact O-N 2.75Å; Q333-S335 PolarHBondContact O-N 3.37Å
334	L	98.1	Very high	95.9	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	23%	0.228	C	C	.	.			trans	-65.2	118.2	-174.9	-165.7	75.2	0	0	0	109.9	L279 K280 L282 F331 L337 M357 S359 L360	L279-L334 HydrophobicContact CD2-CD1 4.18Å; L279-L334 HydrophobicContact CG-CD1 4.28Å; L279-L334 WeakPolarHBondContact O-CA 3.44Å; L279-L334 PolarHBondContact O-N 3.47Å; K280-L334 WeakPolarHBondContact O-CD1 3.44Å; L282-L334 HydrophobicContact CB-CD1 3.64Å; L282-L334 HydrophobicContact CB-CD2 4.1Å; L282-L334 HydrophobicContact CB-CG 4.49Å; L282-L334 HydrophobicContact CD2-CD2 4.37Å; F331-L334 HydrophobicContact CB-CB 4.11Å; F331-L334 HydrophobicContact CB-CD2 4.48Å; F331-L334 HydrophobicContact CD1-CD2 4.19Å; L334-L337 HydrophobicContact CD2-CD1 4.25Å; L334-M357 HydrophobicContact CD2-CE 3.97Å; L334-M357 HydrophobicContact CD2-CG 4.38Å; L334-M357 HydrophobicContact CD2-SD 3.81Å; L334-S359 CarbonylContact O-C 3.33Å; L334-S359 VanDerWaalsContact O-C 3.31Å; L334-L360 PolarHBondContact O-N 2.76Å
335	S	98	Very high	96	Very high	24 Å²	24	42 Å²	42	17%	0.168	22%	0.22	C	C	.	.			trans	-109.1	-18.5	-177.8	61.1	0	0	0	0	113	K280 Q333 Q361 S362	K280-S335 PolarHBondContact O-N 3.17Å; K280-S335 PolarHBondContact O-OG 3.07Å; Q333-S335 PolarHBondContact O-N 3.37Å; S335-Q361 PolarHBondContact O-N 2.56Å; S335-S362 PolarHBondContact O-N 2.79Å
336	Q	98.6	Very high	96.1	Very high	90 Å²	90	38.2 Å²	38.2	42%	0.421	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.1	178.6	-52.1	-172.8	-16.6	0	0	110.9	K280 S281 L282 S362	K280-Q336 PolarHBondContact O-N 3.33Å; S281-Q336 WeakPolarHBondContact CA-O 3.47Å; S281-Q336 PolarHBondContact OG-OE1 3.36Å; L282-Q336 PolarHBondContact N-O 3.15Å; Q336-S362 WeakPolarHBondContact CA-O 3.3Å
337	L	98.7	Very high	96.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.9	176.5	-178	71.7	0	0	0	110.8	W266 L282 L334 L339 I353 M357 L360 S362 L363 S364	W266-L337 HydrophobicContact CH2-CD2 4.42Å; L282-L337 HydrophobicContact CB-CD1 4.28Å; L282-L337 HydrophobicContact CD2-CD1 4.14Å; L282-L337 HydrophobicContact CG-CD1 4.31Å; L282-L337 WeakPolarHBondContact O-CA 3.16Å; L334-L337 HydrophobicContact CD2-CD1 4.25Å; L337-L339 HydrophobicContact CD1-CD2 4.25Å; L337-L339 HydrophobicContact CD1-CG 4.43Å; L337-L339 HydrophobicContact CD2-CD1 3.7Å; L337-L339 HydrophobicContact CD2-CD2 4.37Å; L337-L339 HydrophobicContact CD2-CG 3.88Å; L337-L339 HydrophobicContact CG-CD1 4.34Å; L337-L339 HydrophobicContact CG-CD2 4.32Å; L337-L339 HydrophobicContact CG-CG 3.95Å; L337-I353 HydrophobicContact CD2-CG2 3.86Å; L337-M357 HydrophobicContact CB-SD 4.47Å; L337-M357 HydrophobicContact CD1-CE 4.19Å; L337-M357 HydrophobicContact CD2-CE 3.89Å; L337-M357 HydrophobicContact CD2-SD 3.67Å; L337-M357 HydrophobicContact CG-SD 4.43Å; L337-L360 HydrophobicContact CB-CD1 3.7Å; L337-S362 PolarHBondContact N-O 2.79Å; L337-L363 HydrophobicContact CB-CD1 4.18Å; L337-L363 HydrophobicContact CD2-CD1 3.95Å; L337-L363 HydrophobicContact CG-CD1 4.31Å; L337-L363 WeakPolarHBondContact O-CA 3.23Å; L337-S364 PolarHBondContact O-N 2.95Å
338	T	98.7	Very high	96	Very high	33 Å²	33	42.8 Å²	42.8	20%	0.202	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.2	176.1	-53.4	0	0	0	0	110.5	L282 N283 V284 S285 V340	L282-T338 PolarHBondContact O-N 3.15Å; N283-T338 PolarHBondContact OD1-O 3.32Å; V284-T338 PolarHBondContact N-O 2.85Å; V284-T338 VanDerWaalsContact N-O 3.13Å; S285-T338 WeakPolarHBondContact OG-CG2 3.49Å; T338-V340 HydrophobicContact CG2-CG2 3.78Å
339	L	98.5	Very high	95.9	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	21%	0.213	C	C	.	.			trans	-126.2	48.8	-178.4	-61.7	178.2	0	0	0	111.1	W266 V284 L337 L345 I353 S364 L365 N368	W266-L339 HydrophobicContact CH2-CD1 4.34Å; W266-L339 HydrophobicContact CH2-CD2 3.99Å; W266-L339 HydrophobicContact CZ2-CD1 4.14Å; W266-L339 HydrophobicContact CZ2-CD2 3.99Å; V284-L339 HydrophobicContact CG2-CD2 3.37Å; L337-L339 HydrophobicContact CD1-CD2 4.25Å; L337-L339 HydrophobicContact CD1-CG 4.43Å; L337-L339 HydrophobicContact CD2-CD1 3.7Å; L337-L339 HydrophobicContact CD2-CD2 4.37Å; L337-L339 HydrophobicContact CD2-CG 3.88Å; L337-L339 HydrophobicContact CG-CD1 4.34Å; L337-L339 HydrophobicContact CG-CD2 4.32Å; L337-L339 HydrophobicContact CG-CG 3.95Å; L339-L345 HydrophobicContact CB-CD2 4.27Å; L339-L345 HydrophobicContact CD1-CD1 4.26Å; L339-L345 HydrophobicContact CD1-CD2 4.16Å; L339-I353 HydrophobicContact CD1-CD1 4.3Å; L339-S364 PolarHBondContact N-O 2.77Å; L339-L365 HydrophobicContact CB-CD2 3.98Å; L339-L365 HydrophobicContact CD1-CD2 4.02Å; L339-L365 HydrophobicContact CG-CD2 4.46Å; L339-N368 PolarHBondContact O-ND2 3.32Å
340	V	98.4	Very high	95.9	Very high	31 Å²	31	36.7 Å²	36.7	19%	0.188	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	135	-177.4	171.1	0	0	0	0	110.6	S285 N286 T338 C342 S364 A366 Y367	S285-V340 CarbonylContact C-O 3.38Å; S285-V340 VanDerWaalsContact CA-O 3.25Å; S285-V340 WeakPolarHBondContact CA-O 3.41Å; S285-V340 WeakPolarHBondContact CB-O 3.37Å; S285-V340 WeakPolarHBondContact OG-CB 3.35Å; S285-V340 PolarHBondContact OG-N 2.89Å; N286-V340 PolarHBondContact N-O 3.1Å; T338-V340 HydrophobicContact CG2-CG2 3.78Å; V340-C342 PolarHBondContact O-N 3.36Å; V340-S364 WeakPolarHBondContact CG2-OG 3.49Å; V340-A366 VanDerWaalsContact CA-O 3.3Å; V340-A366 WeakPolarHBondContact CA-O 3.44Å; V340-A366 WeakPolarHBondContact CG1-O 3.29Å; V340-A366 HydrophobicContact CG2-CB 4.02Å; V340-Y367 HydrophobicContact CG1-CD2 3.97Å
341	K	97.2	Very high	95.8	Very high	111 Å²	111	39.6 Å²	39.6	48%	0.483	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	45.3	178.9	-61.1	178.8	179.5	179.4	0	114.2	N286 P343 A366 Y367	N286-K341 WeakPolarHBondContact CA-O 3.4Å; K341-P343 VanDerWaalsContact O-CD 3.26Å; K341-P343 WeakPolarHBondContact O-CD 3.34Å; K341-A366 PolarHBondContact N-O 2.81Å; K341-Y367 HydrophobicContact CG-CG 4.5Å
342	C	97.1	Very high	95.6	Very high	8 Å²	8	40.9 Å²	40.9	5%	0.054	21%	0.21	C	C	.	.			trans	-96.2	94.1	173.4	-69	0	0	0	0	110.1	V340 L344 L345 N368	V340-C342 PolarHBondContact O-N 3.36Å; C342-L344 PolarHBondContact O-N 3.33Å; C342-L345 HydrophobicContact CB-CB 4.26Å; C342-L345 VanDerWaalsContact O-CB 3.26Å; C342-L345 WeakPolarHBondContact O-CB 3.24Å; C342-L345 PolarHBondContact O-N 3.21Å; C342-N368 WeakPolarHBondContact CA-OD1 2.97Å; C342-N368 PolarHBondContact N-OD1 3.14Å; C342-N368 PolarHBondContact O-OD1 3.01Å; C342-N368 VanDerWaalsContact O-OD1 3.12Å
343	P	93.3	Very high	95.6	Very high	84 Å²	84	38.3 Å²	38.3	55%	0.545	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.3	-165.3	26.8	-37.2	0	0	0	115.6	R288 K341	R288-P343 HydrophobicContact CG-CG 3.98Å; K341-P343 VanDerWaalsContact O-CD 3.26Å; K341-P343 WeakPolarHBondContact O-CD 3.34Å
344	L	94.5	Very high	95.5	Very high	42 Å²	42	34.8 Å²	34.8	22%	0.22	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-2.9	178.2	-58.3	-175.6	0	0	0	113	R288 R290 L313 C342	R288-L344 HydrophobicContact CB-CD1 4.42Å; R290-L344 HydrophobicContact CB-CD1 4.47Å; R290-L344 HydrophobicContact CG-CD1 3.57Å; L313-L344 HydrophobicContact CD2-CD2 3.88Å; C342-L344 PolarHBondContact O-N 3.33Å
345	L	95.1	Very high	95.1	Very high	22 Å²	22	37.9 Å²	37.9	12%	0.115	20%	0.198	C	C	.	.			trans	-76.7	138.9	-176.6	-162.9	69.3	0	0	0	111.5	L339 C342 I350 I353 L365 L370	L339-L345 HydrophobicContact CB-CD2 4.27Å; L339-L345 HydrophobicContact CD1-CD1 4.26Å; L339-L345 HydrophobicContact CD1-CD2 4.16Å; C342-L345 HydrophobicContact CB-CB 4.26Å; C342-L345 VanDerWaalsContact O-CB 3.26Å; C342-L345 WeakPolarHBondContact O-CB 3.24Å; C342-L345 PolarHBondContact O-N 3.21Å; L345-I350 HydrophobicContact CD1-CG1 3.85Å; L345-I350 HydrophobicContact CD2-CD1 4.05Å; L345-I350 HydrophobicContact CD2-CG1 3.9Å; L345-I350 HydrophobicContact CG-CD1 4.09Å; L345-I350 HydrophobicContact CG-CG1 3.8Å; L345-I353 HydrophobicContact CD1-CD1 3.72Å; L345-L365 HydrophobicContact CD2-CD2 3.72Å; L345-L370 HydrophobicContact CB-CD2 4.33Å; L345-L370 HydrophobicContact CD2-CD2 4.38Å; L345-L370 HydrophobicContact CG-CD2 4.19Å; L345-L370 WeakPolarHBondContact O-CD2 3.32Å
346	N	94.2	Very high	95	Very high	55 Å²	55	36.9 Å²	36.9	29%	0.294	19%	0.19	S	C	.	.			trans	-146.9	171	172.1	57.2	53.7	0	0	0	109.9	K348 S349 I350	N346-K348 VanDerWaalsContact C-N 3.31Å; N346-K348 PolarHBondContact O-N 3.24Å; N346-K348 WeakPolarHBondContact OD1-CB 3.34Å; N346-K348 PolarHBondContact OD1-N 2.8Å; N346-S349 PolarHBondContact ND2-OG 2.88Å; N346-S349 WeakPolarHBondContact O-CA 3.13Å; N346-S349 VanDerWaalsContact O-CB 3.24Å; N346-S349 WeakPolarHBondContact O-CB 3.42Å; N346-S349 PolarHBondContact O-N 3.28Å; N346-S349 WeakPolarHBondContact OD1-CB 3.41Å; N346-S349 PolarHBondContact OD1-N 3.06Å; N346-S349 PolarHBondContact OD1-OG 2.94Å; N346-I350 WeakPolarHBondContact O-CG1 3.48Å; N346-I350 PolarHBondContact O-N 3.04Å
347	W	94.7	Very high	94.8	Very high	17 Å²	17	32.8 Å²	32.8	6%	0.064	17%	0.171	C	C	.	.	H	α-helix	trans	-59.5	-36.6	-177.6	-71.7	111.9	0	0	0	114.2	S349 I350 R351 L370 G371 N372 P373 W377 F385 L393 I396	W347-S349 VanDerWaalsContact C-N 3.27Å; W347-S349 PolarHBondContact O-N 3.08Å; W347-I350 HydrophobicContact CD2-CD1 4.3Å; W347-I350 HydrophobicContact CE3-CD1 3.86Å; W347-I350 HydrophobicContact CZ3-CD1 4.2Å; W347-I350 PolarHBondContact O-N 3.3Å; W347-R351 PolarHBondContact O-N 3.22Å; W347-L370 HydrophobicContact CZ2-CB 4.28Å; W347-L370 HydrophobicContact CZ2-CD1 4.35Å; W347-L370 PolarHBondContact NE1-O 2.9Å; W347-L370 VanDerWaalsContact NE1-O 3.15Å; W347-G371 PolarHBondContact NE1-O 2.73Å; W347-G371 VanDerWaalsContact NE1-O 3.13Å; W347-N372 PolarHBondContact NE1-O 3.19Å; W347-P373 HydrophobicContact CD2-CB 3.83Å; W347-P373 HydrophobicContact CE3-CB 4.11Å; W347-P373 HydrophobicContact CG-CB 4.37Å; W347-P373 HydrophobicContact CH2-CB 4.15Å; W347-P373 HydrophobicContact CH2-CG 4.49Å; W347-P373 HydrophobicContact CZ2-CB 3.88Å; W347-P373 HydrophobicContact CZ2-CG 4.19Å; W347-P373 HydrophobicContact CZ3-CB 4.26Å; W347-W377 HydrophobicContact CB-CH2 4.29Å; W347-W377 HydrophobicContact CB-CZ2 4.22Å; W347-W377 HydrophobicContact CD2-CZ2 4.3Å; W347-W377 AromaticContact CE3-CH2 3.95Å; W347-W377 HydrophobicContact CE3-CH2 3.95Å; W347-W377 AromaticContact CE3-CZ2 3.78Å; W347-W377 HydrophobicContact CE3-CZ2 3.78Å; W347-F385 HydrophobicContact CE3-CZ 4.3Å; W347-F385 HydrophobicContact CZ3-CE1 4.22Å; W347-F385 AromaticContact CZ3-CZ 3.86Å; W347-F385 HydrophobicContact CZ3-CZ 3.86Å; W347-L393 HydrophobicContact CH2-CD1 4.45Å; W347-L393 HydrophobicContact CH2-CD2 4.35Å; W347-I396 HydrophobicContact CH2-CD1 4.46Å; W347-I396 HydrophobicContact CZ2-CD1 3.89Å
348	K	90.6	Very high	94.6	Very high	90 Å²	90	37.1 Å²	37.1	39%	0.391	20%	0.199	S	C	.	.	H	α-helix	trans	-61.8	-39	174.2	-179.4	-178.6	178.6	-178	0	111.4	E297 N346 R351 I352	E297-K348 WeakPolarHBondContact OE1-CE 3.33Å; E297-K348 IonicContact OE1-NZ 3.91Å; E297-K348 PolarHBondContact OE1-NZ 3.34Å; E297-K348 IonicContact OE2-NZ 3.99Å; N346-K348 VanDerWaalsContact C-N 3.31Å; N346-K348 PolarHBondContact O-N 3.24Å; N346-K348 WeakPolarHBondContact OD1-CB 3.34Å; N346-K348 PolarHBondContact OD1-N 2.8Å; K348-R351 WeakPolarHBondContact O-CB 3.2Å; K348-I352 WeakPolarHBondContact O-CG1 3.46Å; K348-I352 PolarHBondContact O-N 2.88Å
349	S	91.8	Very high	94.4	Very high	8 Å²	8	38 Å²	38	6%	0.056	21%	0.207	C	C	.	.	H	α-helix	trans	-68	-46.9	178.3	-55.6	0	0	0	0	111.5	L291 N346 W347 R351 I352 I353	L291-S349 VanDerWaalsContact CD1-CA 3.43Å; L291-S349 VanDerWaalsContact CD1-OG 3.27Å; L291-S349 WeakPolarHBondContact CD1-OG 3.43Å; N346-S349 PolarHBondContact ND2-OG 2.88Å; N346-S349 WeakPolarHBondContact O-CA 3.13Å; N346-S349 VanDerWaalsContact O-CB 3.24Å; N346-S349 WeakPolarHBondContact O-CB 3.42Å; N346-S349 PolarHBondContact O-N 3.28Å; N346-S349 WeakPolarHBondContact OD1-CB 3.41Å; N346-S349 PolarHBondContact OD1-N 3.06Å; N346-S349 PolarHBondContact OD1-OG 2.94Å; W347-S349 VanDerWaalsContact C-N 3.27Å; W347-S349 PolarHBondContact O-N 3.08Å; S349-R351 VanDerWaalsContact C-N 3.27Å; S349-R351 PolarHBondContact O-N 3.4Å; S349-I352 PolarHBondContact O-N 2.86Å; S349-I352 VanDerWaalsContact O-N 3.1Å; S349-I353 WeakPolarHBondContact O-CD1 3.49Å; S349-I353 VanDerWaalsContact O-CG1 3.32Å; S349-I353 WeakPolarHBondContact O-CG1 3.37Å; S349-I353 PolarHBondContact O-N 3.33Å
350	I	95.1	Very high	94.4	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-41.4	178	-65.1	156.6	0	0	0	110.6	L345 N346 W347 I352 I353 L354 L365 L370 F385	L345-I350 HydrophobicContact CD1-CG1 3.85Å; L345-I350 HydrophobicContact CD2-CD1 4.05Å; L345-I350 HydrophobicContact CD2-CG1 3.9Å; L345-I350 HydrophobicContact CG-CD1 4.09Å; L345-I350 HydrophobicContact CG-CG1 3.8Å; N346-I350 WeakPolarHBondContact O-CG1 3.48Å; N346-I350 PolarHBondContact O-N 3.04Å; W347-I350 HydrophobicContact CD2-CD1 4.3Å; W347-I350 HydrophobicContact CE3-CD1 3.86Å; W347-I350 HydrophobicContact CZ3-CD1 4.2Å; W347-I350 PolarHBondContact O-N 3.3Å; I350-I352 VanDerWaalsContact C-N 3.3Å; I350-I352 PolarHBondContact O-N 2.98Å; I350-I353 PolarHBondContact O-N 3.38Å; I350-L354 HydrophobicContact CG2-CD1 3.98Å; I350-L354 HydrophobicContact CG2-CG 4.22Å; I350-L354 WeakPolarHBondContact O-CB 3.3Å; I350-L354 VanDerWaalsContact O-CG 3.31Å; I350-L354 WeakPolarHBondContact O-CG 3.31Å; I350-L354 PolarHBondContact O-N 2.94Å; I350-L365 HydrophobicContact CD1-CD1 3.55Å; I350-L365 HydrophobicContact CG1-CD1 4.11Å; I350-L365 HydrophobicContact CG2-CD1 4.27Å; I350-L370 HydrophobicContact CD1-CD1 3.66Å; I350-L370 HydrophobicContact CD1-CD2 3.86Å; I350-L370 HydrophobicContact CD1-CG 4.41Å; I350-F385 HydrophobicContact CG2-CE1 4.38Å; I350-F385 HydrophobicContact CG2-CE2 4.47Å; I350-F385 HydrophobicContact CG2-CZ 3.67Å
351	R	92.6	Very high	94.4	Very high	65 Å²	65	41.9 Å²	41.9	25%	0.245	22%	0.223	C	C	.	.	H	α-helix	trans	-52.1	-48.7	174.3	-169.2	-179	61.4	90.3	11.6	112	W347 K348 S349 C355 W377 E378 A381	W347-R351 PolarHBondContact O-N 3.22Å; K348-R351 WeakPolarHBondContact O-CB 3.2Å; S349-R351 VanDerWaalsContact C-N 3.27Å; S349-R351 PolarHBondContact O-N 3.4Å; R351-C355 PolarHBondContact O-N 2.64Å; R351-C355 PolarHBondContact O-SG 3.15Å; R351-C355 VanDerWaalsContact O-SG 3.36Å; R351-W377 HydrophobicContact CB-CE3 4.45Å; R351-W377 HydrophobicContact CB-CH2 4.27Å; R351-W377 HydrophobicContact CB-CZ3 3.56Å; R351-W377 HydrophobicContact CG-CE3 4.13Å; R351-W377 HydrophobicContact CG-CZ3 3.69Å; R351-E378 IonicContact CZ-OE2 3.36Å; R351-E378 IonicContact NH1-OE1 3.68Å; R351-E378 IonicContact NH1-OE2 3.35Å; R351-E378 PolarHBondContact NH1-OE2 3.09Å; R351-A381 HydrophobicContact CG-CB 3.78Å
352	I	91.7	Very high	94.5	Very high	30 Å²	30	37.9 Å²	37.9	15%	0.154	21%	0.209	C	C	.	.	H	α-helix	trans	-67.5	-47.8	-177.8	-65.1	166.8	0	0	0	110.1	L291 K348 S349 I350 L354 C355 W356	L291-I352 HydrophobicContact CD1-CD1 4.46Å; K348-I352 WeakPolarHBondContact O-CG1 3.46Å; K348-I352 PolarHBondContact O-N 2.88Å; S349-I352 PolarHBondContact O-N 2.86Å; S349-I352 VanDerWaalsContact O-N 3.1Å; I350-I352 VanDerWaalsContact C-N 3.3Å; I350-I352 PolarHBondContact O-N 2.98Å; I352-L354 VanDerWaalsContact C-N 3.3Å; I352-L354 PolarHBondContact O-N 2.84Å; I352-C355 WeakPolarHBondContact O-CB 3.15Å; I352-C355 PolarHBondContact O-N 3.13Å; I352-W356 HydrophobicContact CG2-CD2 4.33Å; I352-W356 HydrophobicContact CG2-CH2 3.71Å; I352-W356 HydrophobicContact CG2-CZ2 3.34Å; I352-W356 HydrophobicContact CG2-CZ3 4.33Å; I352-W356 PolarHBondContact O-N 3.49Å
353	I	94.6	Very high	94.5	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.015	21%	0.208	C	C	.	.	H	α-helix	trans	-57.8	-43.5	-179.4	-66.5	158.6	0	0	0	111.2	W266 L291 L337 L339 L345 S349 I350 C355 W356 M357	W266-I353 HydrophobicContact CD2-CG1 4.43Å; W266-I353 HydrophobicContact CH2-CD1 4.13Å; W266-I353 HydrophobicContact CH2-CG1 4.15Å; W266-I353 HydrophobicContact CH2-CG2 3.8Å; W266-I353 HydrophobicContact CZ2-CD1 3.33Å; W266-I353 HydrophobicContact CZ2-CG1 3.7Å; W266-I353 HydrophobicContact CZ2-CG2 4.16Å; W266-I353 HydrophobicContact CZ3-CG2 4.34Å; L291-I353 HydrophobicContact CD2-CG1 4.26Å; L337-I353 HydrophobicContact CD2-CG2 3.86Å; L339-I353 HydrophobicContact CD1-CD1 4.3Å; L345-I353 HydrophobicContact CD1-CD1 3.72Å; S349-I353 WeakPolarHBondContact O-CD1 3.49Å; S349-I353 VanDerWaalsContact O-CG1 3.32Å; S349-I353 WeakPolarHBondContact O-CG1 3.37Å; S349-I353 PolarHBondContact O-N 3.33Å; I350-I353 PolarHBondContact O-N 3.38Å; I353-C355 VanDerWaalsContact C-N 3.27Å; I353-C355 PolarHBondContact O-N 3.1Å; I353-W356 HydrophobicContact CG1-CE3 4.45Å; I353-W356 HydrophobicContact CG1-CZ3 4.29Å; I353-W356 PolarHBondContact O-N 3.03Å; I353-W356 VanDerWaalsContact O-N 3.11Å; I353-M357 HydrophobicContact CG2-CE 3.72Å; I353-M357 HydrophobicContact CG2-SD 3.99Å
354	L	93.7	Very high	94.8	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-62.2	-33	177.8	-74.7	178.2	0	0	0	113	I350 I352 W356 M357 L360 L363 A384 F385	I350-L354 HydrophobicContact CG2-CD1 3.98Å; I350-L354 HydrophobicContact CG2-CG 4.22Å; I350-L354 WeakPolarHBondContact O-CB 3.3Å; I350-L354 VanDerWaalsContact O-CG 3.31Å; I350-L354 WeakPolarHBondContact O-CG 3.31Å; I350-L354 PolarHBondContact O-N 2.94Å; I352-L354 VanDerWaalsContact C-N 3.3Å; I352-L354 PolarHBondContact O-N 2.84Å; L354-W356 PolarHBondContact O-N 3.2Å; L354-M357 PolarHBondContact O-N 2.85Å; L354-L360 HydrophobicContact CD2-CD2 3.44Å; L354-L360 VanDerWaalsContact CD2-CD2 3.44Å; L354-L363 HydrophobicContact CD2-CD2 4.19Å; L354-A384 HydrophobicContact CB-CB 4.11Å; L354-A384 HydrophobicContact CD1-CB 4.48Å; L354-F385 HydrophobicContact CD1-CD1 4.09Å; L354-F385 HydrophobicContact CD1-CD2 3.61Å; L354-F385 HydrophobicContact CD1-CE1 3.84Å; L354-F385 HydrophobicContact CD1-CE2 3.31Å; L354-F385 HydrophobicContact CD1-CG 3.99Å; L354-F385 HydrophobicContact CD1-CZ 3.45Å; L354-F385 VanDerWaalsContact CD1-CZ 3.45Å
355	C	90.9	Very high	95	Very high	68 Å²	68	32.4 Å²	32.4	46%	0.459	18%	0.176	S	C	.	.	H	α-helix	trans	-67.2	-25.3	176.7	-68.9	0	0	0	0	112.9	R351 I352 I353 M357	R351-C355 PolarHBondContact O-N 2.64Å; R351-C355 PolarHBondContact O-SG 3.15Å; R351-C355 VanDerWaalsContact O-SG 3.36Å; I352-C355 WeakPolarHBondContact O-CB 3.15Å; I352-C355 PolarHBondContact O-N 3.13Å; I353-C355 VanDerWaalsContact C-N 3.27Å; I353-C355 PolarHBondContact O-N 3.1Å; C355-M357 VanDerWaalsContact C-N 3.34Å
356	W	94.7	Very high	95.1	Very high	3 Å²	3	31.5 Å²	31.5	1%	0.011	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.5	177.6	-58.5	-30.9	0	0	0	113.8	W266 L291 P292 E324 C327 F331 I352 I353 L354 P358	W266-W356 HydrophobicContact CB-CZ3 4.14Å; W266-W356 HydrophobicContact CD2-CZ3 4.18Å; W266-W356 HydrophobicContact CE3-CZ3 4.28Å; W266-W356 HydrophobicContact CG-CZ3 4.12Å; L291-W356 HydrophobicContact CD2-CH2 3.63Å; L291-W356 HydrophobicContact CD2-CZ3 3.82Å; P292-W356 HydrophobicContact CG-CH2 4.11Å; P292-W356 HydrophobicContact CG-CZ2 4.45Å; E324-W356 PolarHBondContact OE1-NE1 2.87Å; E324-W356 PolarHBondContact OE2-NE1 2.65Å; C327-W356 HydrophobicContact CB-CD2 3.43Å; C327-W356 VanDerWaalsContact CB-CD2 3.43Å; C327-W356 VanDerWaalsContact CB-CE2 3.42Å; C327-W356 HydrophobicContact CB-CE3 3.7Å; C327-W356 HydrophobicContact CB-CG 3.9Å; C327-W356 HydrophobicContact CB-CH2 3.93Å; C327-W356 HydrophobicContact CB-CZ2 3.68Å; C327-W356 HydrophobicContact CB-CZ3 3.95Å; F331-W356 HydrophobicContact CD2-CB 3.94Å; F331-W356 HydrophobicContact CE2-CB 4.33Å; I352-W356 HydrophobicContact CG2-CD2 4.33Å; I352-W356 HydrophobicContact CG2-CH2 3.71Å; I352-W356 HydrophobicContact CG2-CZ2 3.34Å; I352-W356 HydrophobicContact CG2-CZ3 4.33Å; I352-W356 PolarHBondContact O-N 3.49Å; I353-W356 HydrophobicContact CG1-CE3 4.45Å; I353-W356 HydrophobicContact CG1-CZ3 4.29Å; I353-W356 PolarHBondContact O-N 3.03Å; I353-W356 VanDerWaalsContact O-N 3.11Å; L354-W356 PolarHBondContact O-N 3.2Å; W356-P358 VanDerWaalsContact O-CD 3.31Å; W356-P358 WeakPolarHBondContact O-CD 3.24Å
357	M	95.4	Very high	95.3	Very high	4 Å²	4	34 Å²	34	2%	0.02	18%	0.178	C	C	.	.			trans	-123.9	73.9	-169.4	-60.3	175	-176.3	0	0	111.3	W266 F331 L334 L337 I353 L354 C355 S359 L360	W266-M357 HydrophobicContact CH2-CE 4.17Å; W266-M357 HydrophobicContact CZ3-CE 3.8Å; F331-M357 HydrophobicContact CB-CG 3.79Å; F331-M357 HydrophobicContact CD1-CE 4.23Å; F331-M357 HydrophobicContact CD2-CE 4.05Å; F331-M357 HydrophobicContact CD2-CG 4.15Å; F331-M357 HydrophobicContact CE1-CE 4.36Å; F331-M357 HydrophobicContact CE2-CE 4.2Å; F331-M357 HydrophobicContact CG-CE 4.07Å; F331-M357 HydrophobicContact CG-CG 4.06Å; F331-M357 HydrophobicContact CZ-CE 4.36Å; L334-M357 HydrophobicContact CD2-CE 3.97Å; L334-M357 HydrophobicContact CD2-CG 4.38Å; L334-M357 HydrophobicContact CD2-SD 3.81Å; L337-M357 HydrophobicContact CB-SD 4.47Å; L337-M357 HydrophobicContact CD1-CE 4.19Å; L337-M357 HydrophobicContact CD2-CE 3.89Å; L337-M357 HydrophobicContact CD2-SD 3.67Å; L337-M357 HydrophobicContact CG-SD 4.43Å; I353-M357 HydrophobicContact CG2-CE 3.72Å; I353-M357 HydrophobicContact CG2-SD 3.99Å; L354-M357 PolarHBondContact O-N 2.85Å; C355-M357 VanDerWaalsContact C-N 3.34Å; M357-S359 PolarHBondContact O-N 3.13Å; M357-S359 VanDerWaalsContact O-N 3.12Å; M357-L360 HydrophobicContact CB-CB 4.11Å; M357-L360 WeakPolarHBondContact O-CB 3.1Å; M357-L360 PolarHBondContact O-N 3.47Å; M357-L360 HydrophobicContact SD-CD1 4.42Å
358	P	93.5	Very high	95.5	Very high	91 Å²	91	33.5 Å²	33.5	59%	0.591	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.9	-171.3	26.5	-36.1	0	0	0	114.6	W356	W356-P358 VanDerWaalsContact O-CD 3.31Å; W356-P358 WeakPolarHBondContact O-CD 3.24Å
359	S	95.9	Very high	95.7	Very high	52 Å²	52	35.5 Å²	35.5	36%	0.364	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	5.4	-176.7	-60.8	0	0	0	0	113.7	P332 L334 M357 Q361	P332-S359 PolarHBondContact O-OG 2.76Å; L334-S359 CarbonylContact O-C 3.33Å; L334-S359 VanDerWaalsContact O-C 3.31Å; M357-S359 PolarHBondContact O-N 3.13Å; M357-S359 VanDerWaalsContact O-N 3.12Å; S359-Q361 PolarHBondContact O-N 2.91Å
360	L	97.7	Very high	95.9	Very high	10 Å²	10	36 Å²	36	5%	0.052	19%	0.193	C	C	.	.			trans	-65.2	132.2	-173.4	-163.2	72.1	0	0	0	112	L334 L337 L354 M357 L363 L388	L334-L360 PolarHBondContact O-N 2.76Å; L337-L360 HydrophobicContact CB-CD1 3.7Å; L354-L360 HydrophobicContact CD2-CD2 3.44Å; L354-L360 VanDerWaalsContact CD2-CD2 3.44Å; M357-L360 HydrophobicContact CB-CB 4.11Å; M357-L360 WeakPolarHBondContact O-CB 3.1Å; M357-L360 PolarHBondContact O-N 3.47Å; M357-L360 HydrophobicContact SD-CD1 4.42Å; L360-L363 HydrophobicContact CD2-CB 4.29Å; L360-L363 HydrophobicContact CD2-CD1 4.33Å; L360-L388 HydrophobicContact CB-CD2 4.43Å; L360-L388 HydrophobicContact CD2-CD2 4.05Å; L360-L388 HydrophobicContact CG-CD2 4.02Å
361	Q	97.9	Very high	96	Very high	105 Å²	105	36.8 Å²	36.8	49%	0.491	20%	0.202	S	C	.	.			trans	-123.3	-37.6	179.8	-68.3	-179.9	-2.1	0	0	111.8	S335 S359 L388 T389 D390	S335-Q361 PolarHBondContact O-N 2.56Å; S359-Q361 PolarHBondContact O-N 2.91Å; Q361-L388 CarbonylContact O-C 3.53Å; Q361-L388 WeakPolarHBondContact O-CA 3.33Å; Q361-T389 PolarHBondContact O-N 2.77Å; Q361-T389 PolarHBondContact O-OG1 3.27Å; Q361-D390 PolarHBondContact O-N 3.07Å; Q361-D390 VanDerWaalsContact O-N 3.12Å
362	S	98.6	Very high	96.2	Very high	28 Å²	28	36 Å²	36	20%	0.196	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.9	178.9	-178.5	0	0	0	0	111.3	S335 Q336 L337 D390	S335-S362 PolarHBondContact O-N 2.79Å; Q336-S362 WeakPolarHBondContact CA-O 3.3Å; L337-S362 PolarHBondContact N-O 2.79Å; S362-D390 WeakPolarHBondContact CA-O 3.49Å
363	L	98.6	Very high	96.4	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	121.7	177.8	179.6	64	0	0	0	110.5	L337 L354 L360 L365 L388 D390 L391 D392	L337-L363 HydrophobicContact CB-CD1 4.18Å; L337-L363 HydrophobicContact CD2-CD1 3.95Å; L337-L363 HydrophobicContact CG-CD1 4.31Å; L337-L363 WeakPolarHBondContact O-CA 3.23Å; L354-L363 HydrophobicContact CD2-CD2 4.19Å; L360-L363 HydrophobicContact CD2-CB 4.29Å; L360-L363 HydrophobicContact CD2-CD1 4.33Å; L363-L365 HydrophobicContact CD1-CD2 3.75Å; L363-L365 HydrophobicContact CD1-CG 4.23Å; L363-L365 HydrophobicContact CD2-CD1 3.98Å; L363-L365 HydrophobicContact CD2-CD2 4.26Å; L363-L365 HydrophobicContact CD2-CG 4.06Å; L363-L365 HydrophobicContact CG-CD1 4.38Å; L363-L365 HydrophobicContact CG-CD2 4Å; L363-L365 HydrophobicContact CG-CG 3.91Å; L363-L388 HydrophobicContact CB-CD1 4.11Å; L363-L388 HydrophobicContact CB-CD2 4.19Å; L363-L388 HydrophobicContact CD2-CD1 4.25Å; L363-D390 PolarHBondContact N-O 3.17Å; L363-L391 HydrophobicContact CB-CD1 4.25Å; L363-L391 HydrophobicContact CD2-CD1 4.16Å; L363-L391 HydrophobicContact CG-CD1 4.35Å; L363-L391 WeakPolarHBondContact O-CA 3.29Å; L363-D392 PolarHBondContact O-N 3.25Å
364	S	98.7	Very high	96.4	Very high	16 Å²	16	37 Å²	37	11%	0.112	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	123	168.9	-179.7	0	0	0	0	111.3	L337 L339 V340 D392	L337-S364 PolarHBondContact O-N 2.95Å; L339-S364 PolarHBondContact N-O 2.77Å; V340-S364 WeakPolarHBondContact CG2-OG 3.49Å; S364-D392 PolarHBondContact OG-OD2 2.84Å
365	L	98.5	Very high	96	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.238	C	C	.	.			trans	-120.3	22.1	177.3	-55.4	-179.5	0	0	0	111.2	L339 L345 I350 L363 N368 L370 D392 L393 I396	L339-L365 HydrophobicContact CB-CD2 3.98Å; L339-L365 HydrophobicContact CD1-CD2 4.02Å; L339-L365 HydrophobicContact CG-CD2 4.46Å; L345-L365 HydrophobicContact CD2-CD2 3.72Å; I350-L365 HydrophobicContact CD1-CD1 3.55Å; I350-L365 HydrophobicContact CG1-CD1 4.11Å; I350-L365 HydrophobicContact CG2-CD1 4.27Å; L363-L365 HydrophobicContact CD1-CD2 3.75Å; L363-L365 HydrophobicContact CD1-CG 4.23Å; L363-L365 HydrophobicContact CD2-CD1 3.98Å; L363-L365 HydrophobicContact CD2-CD2 4.26Å; L363-L365 HydrophobicContact CD2-CG 4.06Å; L363-L365 HydrophobicContact CG-CD1 4.38Å; L363-L365 HydrophobicContact CG-CD2 4Å; L363-L365 HydrophobicContact CG-CG 3.91Å; L365-N368 VanDerWaalsContact C-ND2 3.25Å; L365-N368 PolarHBondContact O-ND2 3.39Å; L365-L370 HydrophobicContact CB-CD1 4.1Å; L365-L370 HydrophobicContact CD1-CD1 3.99Å; L365-D392 PolarHBondContact N-O 3.01Å; L365-L393 HydrophobicContact CB-CD2 4Å; L365-L393 HydrophobicContact CD1-CD2 3.82Å; L365-L393 HydrophobicContact CG-CD2 4.27Å; L365-I396 WeakPolarHBondContact O-CG2 3.38Å
366	A	98.3	Very high	95.9	Very high	2 Å²	2	45.6 Å²	45.6	2%	0.017	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	149.5	-172.8	0	0	0	0	0	112.7	V340 K341 N368 T394	V340-A366 VanDerWaalsContact CA-O 3.3Å; V340-A366 WeakPolarHBondContact CA-O 3.44Å; V340-A366 WeakPolarHBondContact CG1-O 3.29Å; V340-A366 HydrophobicContact CG2-CB 4.02Å; K341-A366 PolarHBondContact N-O 2.81Å; A366-N368 VanDerWaalsContact C-N 3.25Å; A366-N368 PolarHBondContact O-N 3.06Å; A366-T394 CarbonylContact C-O 3.36Å; A366-T394 WeakPolarHBondContact CA-O 3.08Å
367	Y	98.2	Very high	95.7	Very high	109 Å²	109	46.8 Å²	46.8	43%	0.427	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	31.3	176.6	-53.4	-86.1	0	0	0	114.3	V340 K341 T394 H395	V340-Y367 HydrophobicContact CG1-CD2 3.97Å; K341-Y367 HydrophobicContact CG-CG 4.5Å; Y367-T394 HydrophobicContact CE2-CG2 4.32Å; Y367-T394 PolarHBondContact N-O 2.97Å; Y367-H395 VanDerWaalsContact CA-O 3.32Å; Y367-H395 WeakPolarHBondContact CA-O 2.99Å; Y367-H395 HydrophobicContact CD1-CB 3.71Å; Y367-H395 AromaticContact CD1-CG 3.91Å; Y367-H395 AromaticContact CD1-ND1 3.79Å; Y367-H395 HydrophobicContact CE1-CB 3.95Å; Y367-H395 HydrophobicContact CG-CB 4.34Å
368	N	97.7	Very high	95.4	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.027	28%	0.278	C	S	.	.			trans	-106.5	136.4	169.4	-69.3	-61.1	0	0	0	110.3	L339 C342 L365 A366 L370 I396	L339-N368 PolarHBondContact O-ND2 3.32Å; C342-N368 WeakPolarHBondContact CA-OD1 2.97Å; C342-N368 PolarHBondContact N-OD1 3.14Å; C342-N368 PolarHBondContact O-OD1 3.01Å; C342-N368 VanDerWaalsContact O-OD1 3.12Å; L365-N368 VanDerWaalsContact C-ND2 3.25Å; L365-N368 PolarHBondContact O-ND2 3.39Å; A366-N368 VanDerWaalsContact C-N 3.25Å; A366-N368 PolarHBondContact O-N 3.06Å; N368-L370 VanDerWaalsContact C-N 3.26Å; N368-L370 HydrophobicContact CB-CD1 4.21Å; N368-L370 HydrophobicContact CB-CD2 4.14Å; N368-L370 HydrophobicContact CB-CG 3.78Å; N368-L370 PolarHBondContact O-N 2.82Å; N368-I396 WeakPolarHBondContact O-CA 3.38Å; N368-I396 WeakPolarHBondContact O-CB 3.15Å
369	N	95.7	Very high	95.3	Very high	132 Å²	132	54.5 Å²	54.5	71%	0.706	28%	0.282	S	S	*	.			trans	-77.8	69.7	178.4	-174	16	0	0	0	112.3	N397	N369-N397 PolarHBondContact OD1-ND2 3.49Å
370	L	96.8	Very high	95	Very high	19 Å²	19	57.7 Å²	57.7	10%	0.099	30%	0.295	C	S	.	.			trans	-87.7	-28.2	-174	-60.8	175.3	0	0	0	113.5	L345 W347 I350 L365 N368 I396	L345-L370 HydrophobicContact CB-CD2 4.33Å; L345-L370 HydrophobicContact CD2-CD2 4.38Å; L345-L370 HydrophobicContact CG-CD2 4.19Å; L345-L370 WeakPolarHBondContact O-CD2 3.32Å; W347-L370 HydrophobicContact CZ2-CB 4.28Å; W347-L370 HydrophobicContact CZ2-CD1 4.35Å; W347-L370 PolarHBondContact NE1-O 2.9Å; W347-L370 VanDerWaalsContact NE1-O 3.15Å; I350-L370 HydrophobicContact CD1-CD1 3.66Å; I350-L370 HydrophobicContact CD1-CD2 3.86Å; I350-L370 HydrophobicContact CD1-CG 4.41Å; L365-L370 HydrophobicContact CB-CD1 4.1Å; L365-L370 HydrophobicContact CD1-CD1 3.99Å; N368-L370 VanDerWaalsContact C-N 3.26Å; N368-L370 HydrophobicContact CB-CD1 4.21Å; N368-L370 HydrophobicContact CB-CD2 4.14Å; N368-L370 HydrophobicContact CB-CG 3.78Å; N368-L370 PolarHBondContact O-N 2.82Å; L370-I396 HydrophobicContact CB-CB 4.26Å; L370-I396 HydrophobicContact CB-CD1 4.36Å; L370-I396 HydrophobicContact CD1-CB 4.43Å; L370-I396 HydrophobicContact CD1-CD1 4.46Å; L370-I396 HydrophobicContact CD1-CG2 4.21Å; L370-I396 PolarHBondContact N-O 2.97Å
371	G	96.8	Very high	94.6	Very high	19 Å²	19	57.2 Å²	57.2	20%	0.196	29%	0.292	C	S	.	.			trans	62.5	-156.5	-170	0	0	0	0	0	112.3	W347 I396	W347-G371 PolarHBondContact NE1-O 2.73Å; W347-G371 VanDerWaalsContact NE1-O 3.13Å; G371-I396 PolarHBondContact N-O 3.42Å
372	N	96.9	Very high	94.4	Very high	50 Å²	50	54.4 Å²	54.4	27%	0.267	28%	0.28	S	S	.	.	S	Bend	trans	-77.6	142	-179.8	-50.4	-53.3	0	0	0	112.2	W347 L398 T399 A400	W347-N372 PolarHBondContact NE1-O 3.19Å; N372-L398 HydrophobicContact CB-CD1 4.4Å; N372-L398 WeakPolarHBondContact OD1-CD1 3.39Å; N372-T399 PolarHBondContact ND2-OG1 2.8Å; N372-T399 PolarHBondContact OD1-N 3.34Å; N372-T399 PolarHBondContact OD1-OG1 2.99Å; N372-A400 HydrophobicContact CB-CB 4.37Å; N372-A400 PolarHBondContact OD1-N 3.29Å
373	P	95.9	Very high	94.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-67.3	150.9	173.5	28.1	-32.9	0	0	0	111.2	W347 W377 Q403 L404 L407	W347-P373 HydrophobicContact CD2-CB 3.83Å; W347-P373 HydrophobicContact CE3-CB 4.11Å; W347-P373 HydrophobicContact CG-CB 4.37Å; W347-P373 HydrophobicContact CH2-CB 4.15Å; W347-P373 HydrophobicContact CH2-CG 4.49Å; W347-P373 HydrophobicContact CZ2-CB 3.88Å; W347-P373 HydrophobicContact CZ2-CG 4.19Å; W347-P373 HydrophobicContact CZ3-CB 4.26Å; P373-W377 HydrophobicContact CB-CZ2 4.13Å; P373-Q403 HydrophobicContact CG-CB 4.25Å; P373-Q403 PolarHBondContact O-OE1 3.22Å; P373-L404 HydrophobicContact CG-CB 4.12Å; P373-L404 HydrophobicContact CG-CD1 4.39Å; P373-L407 HydrophobicContact CB-CD2 4.41Å
374	P	93.1	Very high	93.9	Very high	52 Å²	52	57.1 Å²	57.1	34%	0.338	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-60.7	161.1	170.8	25.8	-32.7	0	0	0	111.2	D376 W377	P374-D376 WeakPolarHBondContact CB-OD1 3.26Å; P374-W377 HydrophobicContact CG-CZ2 3.86Å; P374-W377 PolarHBondContact O-NE1 3.21Å
375	I	86.9	Confident	93.7	Very high	118 Å²	118	56.5 Å²	56.5	61%	0.605	29%	0.291	S	S	*	.	S	Bend	trans	-90.8	-23.2	-178.5	-59.9	173.2	0	0	0	111	W377 Q403	I375-W377 PolarHBondContact O-N 2.83Å; I375-Q403 HydrophobicContact CD1-CG 4.19Å; I375-Q403 HydrophobicContact CG1-CB 4.45Å; I375-Q403 HydrophobicContact CG1-CG 3.96Å
376	D	87.7	Confident	93.6	Very high	140 Å²	140	58.4 Å²	58.4	75%	0.749	30%	0.3	S	S	*	.			trans	-99.5	65.3	-172	59.7	-37	0	0	0	112.7	P374	P374-D376 WeakPolarHBondContact CB-OD1 3.26Å
377	W	89.8	Confident	93.4	Very high	27 Å²	27	63.8 Å²	63.8	10%	0.102	32%	0.323	C	S	.	.			trans	-81.8	137.3	175.4	-70.2	86.4	0	0	0	112.4	W347 R351 P373 P374 I375 A381 I382 F385 L407	W347-W377 HydrophobicContact CB-CH2 4.29Å; W347-W377 HydrophobicContact CB-CZ2 4.22Å; W347-W377 HydrophobicContact CD2-CZ2 4.3Å; W347-W377 AromaticContact CE3-CH2 3.95Å; W347-W377 HydrophobicContact CE3-CH2 3.95Å; W347-W377 AromaticContact CE3-CZ2 3.78Å; W347-W377 HydrophobicContact CE3-CZ2 3.78Å; R351-W377 HydrophobicContact CB-CE3 4.45Å; R351-W377 HydrophobicContact CB-CH2 4.27Å; R351-W377 HydrophobicContact CB-CZ3 3.56Å; R351-W377 HydrophobicContact CG-CE3 4.13Å; R351-W377 HydrophobicContact CG-CZ3 3.69Å; P373-W377 HydrophobicContact CB-CZ2 4.13Å; P374-W377 HydrophobicContact CG-CZ2 3.86Å; P374-W377 PolarHBondContact O-NE1 3.21Å; I375-W377 PolarHBondContact O-N 2.83Å; W377-A381 HydrophobicContact CE3-CB 3.56Å; W377-A381 HydrophobicContact CZ3-CB 4.09Å; W377-I382 HydrophobicContact CB-CD1 3.98Å; W377-I382 HydrophobicContact CB-CG1 3.51Å; W377-I382 WeakPolarHBondContact O-CD1 3.25Å; W377-F385 HydrophobicContact CE3-CE2 4.29Å; W377-F385 AromaticContact CH2-CE2 3.7Å; W377-F385 HydrophobicContact CH2-CE2 3.7Å; W377-F385 HydrophobicContact CH2-CZ 4.19Å; W377-F385 HydrophobicContact CZ2-CE2 4.25Å; W377-F385 AromaticContact CZ3-CE2 3.7Å; W377-F385 HydrophobicContact CZ3-CE2 3.7Å; W377-L407 HydrophobicContact CB-CD1 4.15Å; W377-L407 HydrophobicContact CD2-CD1 3.94Å; W377-L407 HydrophobicContact CD2-CD2 4.36Å; W377-L407 HydrophobicContact CG-CD1 3.7Å; W377-L407 HydrophobicContact CZ2-CD2 3.99Å
378	E	89.6	Confident	93.4	Very high	105 Å²	105	58.7 Å²	58.7	49%	0.491	30%	0.303	S	S	.	.			trans	-61.9	145.1	167.3	-64.7	171.7	159	0	0	110.4	R351 N380 A381 I382	R351-E378 IonicContact CZ-OE2 3.36Å; R351-E378 IonicContact NH1-OE1 3.68Å; R351-E378 IonicContact NH1-OE2 3.35Å; R351-E378 PolarHBondContact NH1-OE2 3.09Å; E378-N380 VanDerWaalsContact C-N 3.27Å; E378-N380 PolarHBondContact O-N 2.92Å; E378-N380 VanDerWaalsContact O-N 3.15Å; E378-A381 WeakPolarHBondContact O-CB 3.26Å; E378-A381 PolarHBondContact O-N 2.99Å; E378-I382 PolarHBondContact O-N 2.93Å; E378-I382 VanDerWaalsContact O-N 3.12Å
379	K	91.8	Very high	93.4	Very high	153 Å²	153	60.1 Å²	60.1	67%	0.665	31%	0.312	S	S	*	.	H	α-helix	trans	-50.9	-43.8	-177.7	-174.5	-179.4	177.2	-176.1	0	113.4	A381 I382 D383	K379-A381 VanDerWaalsContact C-N 3.27Å; K379-A381 PolarHBondContact O-N 3.02Å; K379-I382 WeakPolarHBondContact O-CB 3.46Å; K379-I382 PolarHBondContact O-N 3.23Å; K379-D383 WeakPolarHBondContact O-CB 3.18Å; K379-D383 VanDerWaalsContact O-CG 3.25Å; K379-D383 PolarHBondContact O-N 2.85Å
380	N	89.6	Confident	93.6	Very high	119 Å²	119	56.1 Å²	56.1	64%	0.636	29%	0.29	S	S	*	.	H	α-helix	trans	-62.6	-34.7	-178.8	-66.4	-7.3	0	0	0	112.5	E378 A384	E378-N380 VanDerWaalsContact C-N 3.27Å; E378-N380 PolarHBondContact O-N 2.92Å; E378-N380 VanDerWaalsContact O-N 3.15Å; N380-A384 PolarHBondContact O-N 3.03Å
381	A	89.8	Confident	93.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-73.7	-41.7	177.7	0	0	0	0	0	111.1	R351 W377 E378 K379 D383 A384 F385	R351-A381 HydrophobicContact CG-CB 3.78Å; W377-A381 HydrophobicContact CE3-CB 3.56Å; W377-A381 HydrophobicContact CZ3-CB 4.09Å; E378-A381 WeakPolarHBondContact O-CB 3.26Å; E378-A381 PolarHBondContact O-N 2.99Å; K379-A381 VanDerWaalsContact C-N 3.27Å; K379-A381 PolarHBondContact O-N 3.02Å; A381-D383 VanDerWaalsContact C-N 3.31Å; A381-D383 PolarHBondContact O-N 2.82Å; A381-A384 WeakPolarHBondContact O-CB 3.42Å; A381-A384 PolarHBondContact O-N 3.28Å; A381-F385 WeakPolarHBondContact O-CD2 3.45Å; A381-F385 PolarHBondContact O-N 3.17Å
382	I	93.4	Very high	93.8	Very high	46 Å²	46	56.1 Å²	56.1	24%	0.236	29%	0.286	C	S	.	.	H	α-helix	trans	-56.3	-48.7	171.9	-61.9	175.5	0	0	0	109.9	W377 E378 K379 A384 F385 Q386 L407	W377-I382 HydrophobicContact CB-CD1 3.98Å; W377-I382 HydrophobicContact CB-CG1 3.51Å; W377-I382 WeakPolarHBondContact O-CD1 3.25Å; E378-I382 PolarHBondContact O-N 2.93Å; E378-I382 VanDerWaalsContact O-N 3.12Å; K379-I382 WeakPolarHBondContact O-CB 3.46Å; K379-I382 PolarHBondContact O-N 3.23Å; I382-A384 VanDerWaalsContact C-N 3.28Å; I382-A384 PolarHBondContact O-N 2.97Å; I382-F385 PolarHBondContact O-N 2.96Å; I382-Q386 HydrophobicContact CG2-CG 4.26Å; I382-Q386 WeakPolarHBondContact O-CB 3.45Å; I382-Q386 VanDerWaalsContact O-CG 3.32Å; I382-Q386 WeakPolarHBondContact O-CG 3.42Å; I382-Q386 PolarHBondContact O-N 2.92Å; I382-L407 HydrophobicContact CB-CD1 4.48Å; I382-L407 HydrophobicContact CG1-CD1 4.01Å
383	D	93.6	Very high	93.8	Very high	66 Å²	66	53.7 Å²	53.7	35%	0.353	27%	0.273	S	S	.	.	H	α-helix	trans	-60.5	-36.9	178.8	-70.3	-17.5	0	0	0	111.7	K379 A381 K387	K379-D383 WeakPolarHBondContact O-CB 3.18Å; K379-D383 VanDerWaalsContact O-CG 3.25Å; K379-D383 PolarHBondContact O-N 2.85Å; A381-D383 VanDerWaalsContact C-N 3.31Å; A381-D383 PolarHBondContact O-N 2.82Å; D383-K387 VanDerWaalsContact O-CG 3.3Å; D383-K387 WeakPolarHBondContact O-CG 3.33Å; D383-K387 PolarHBondContact O-N 2.91Å
384	A	93.1	Very high	94	Very high	22 Å²	22	54.1 Å²	54.1	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-66.3	-48.2	176.1	0	0	0	0	0	112	L354 N380 A381 I382 Q386 K387	L354-A384 HydrophobicContact CB-CB 4.11Å; L354-A384 HydrophobicContact CD1-CB 4.48Å; N380-A384 PolarHBondContact O-N 3.03Å; A381-A384 WeakPolarHBondContact O-CB 3.42Å; A381-A384 PolarHBondContact O-N 3.28Å; I382-A384 VanDerWaalsContact C-N 3.28Å; I382-A384 PolarHBondContact O-N 2.97Å; A384-Q386 VanDerWaalsContact C-N 3.32Å; A384-Q386 PolarHBondContact O-N 3.35Å; A384-K387 PolarHBondContact O-N 2.85Å
385	F	95.3	Very high	94.2	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.009	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-39.3	176.2	-87.5	-74.9	0	0	0	112.6	W347 I350 L354 W377 A381 I382 K387 L388 L407 I408	W347-F385 HydrophobicContact CE3-CZ 4.3Å; W347-F385 HydrophobicContact CZ3-CE1 4.22Å; W347-F385 AromaticContact CZ3-CZ 3.86Å; W347-F385 HydrophobicContact CZ3-CZ 3.86Å; I350-F385 HydrophobicContact CG2-CE1 4.38Å; I350-F385 HydrophobicContact CG2-CE2 4.47Å; I350-F385 HydrophobicContact CG2-CZ 3.67Å; L354-F385 HydrophobicContact CD1-CD1 4.09Å; L354-F385 HydrophobicContact CD1-CD2 3.61Å; L354-F385 HydrophobicContact CD1-CE1 3.84Å; L354-F385 HydrophobicContact CD1-CE2 3.31Å; L354-F385 HydrophobicContact CD1-CG 3.99Å; L354-F385 HydrophobicContact CD1-CZ 3.45Å; L354-F385 VanDerWaalsContact CD1-CZ 3.45Å; W377-F385 HydrophobicContact CE3-CE2 4.29Å; W377-F385 AromaticContact CH2-CE2 3.7Å; W377-F385 HydrophobicContact CH2-CE2 3.7Å; W377-F385 HydrophobicContact CH2-CZ 4.19Å; W377-F385 HydrophobicContact CZ2-CE2 4.25Å; W377-F385 AromaticContact CZ3-CE2 3.7Å; W377-F385 HydrophobicContact CZ3-CE2 3.7Å; A381-F385 WeakPolarHBondContact O-CD2 3.45Å; A381-F385 PolarHBondContact O-N 3.17Å; I382-F385 PolarHBondContact O-N 2.96Å; F385-K387 VanDerWaalsContact C-N 3.25Å; F385-K387 PolarHBondContact O-N 2.92Å; F385-L388 HydrophobicContact CD1-CD1 4.05Å; F385-L388 WeakPolarHBondContact O-CB 3.43Å; F385-L388 WeakPolarHBondContact O-CG 3.45Å; F385-L388 PolarHBondContact O-N 2.7Å; F385-L407 HydrophobicContact CB-CD1 4.24Å; F385-L407 HydrophobicContact CB-CG 4.2Å; F385-L407 HydrophobicContact CD1-CD2 4.22Å; F385-L407 HydrophobicContact CD2-CD1 3.81Å; F385-L407 HydrophobicContact CD2-CD2 3.77Å; F385-L407 HydrophobicContact CD2-CG 4.02Å; F385-L407 HydrophobicContact CE1-CD2 4.27Å; F385-L407 HydrophobicContact CE2-CD1 4.48Å; F385-L407 HydrophobicContact CE2-CD2 3.83Å; F385-L407 HydrophobicContact CG-CD1 4.2Å; F385-L407 HydrophobicContact CG-CD2 3.97Å; F385-L407 HydrophobicContact CG-CG 4.04Å; F385-L407 HydrophobicContact CZ-CD2 4.08Å; F385-I408 HydrophobicContact CB-CG2 4.14Å; F385-I408 HydrophobicContact CD1-CG2 4.22Å; F385-I408 HydrophobicContact CG-CG2 4.48Å
386	Q	95.2	Very high	94.8	Very high	40 Å²	40	50 Å²	50	19%	0.187	25%	0.249	C	C	.	.	H	α-helix	trans	-74	-14.2	-176.6	-71.7	-178	16.3	0	0	113.9	I382 A384 L407 S411 Y413	I382-Q386 HydrophobicContact CG2-CG 4.26Å; I382-Q386 WeakPolarHBondContact O-CB 3.45Å; I382-Q386 VanDerWaalsContact O-CG 3.32Å; I382-Q386 WeakPolarHBondContact O-CG 3.42Å; I382-Q386 PolarHBondContact O-N 2.92Å; A384-Q386 VanDerWaalsContact C-N 3.32Å; A384-Q386 PolarHBondContact O-N 3.35Å; Q386-L407 PolarHBondContact NE2-O 2.7Å; Q386-L407 VanDerWaalsContact NE2-O 3.08Å; Q386-S411 PolarHBondContact O-OG 2.79Å; Q386-Y413 WeakPolarHBondContact O-CD2 3.28Å
387	K	95.1	Very high	95.2	Very high	116 Å²	116	45.7 Å²	45.7	50%	0.504	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-15.6	172.4	-75.6	171.2	-177.1	179.6	0	114	D383 A384 F385	D383-K387 VanDerWaalsContact O-CG 3.3Å; D383-K387 WeakPolarHBondContact O-CG 3.33Å; D383-K387 PolarHBondContact O-N 2.91Å; A384-K387 PolarHBondContact O-N 2.85Å; F385-K387 VanDerWaalsContact C-N 3.25Å; F385-K387 PolarHBondContact O-N 2.92Å
388	L	97.7	Very high	95.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.221	C	C	.	.			trans	-63.9	141.4	179.2	-61.9	173.9	0	0	0	111.1	L360 Q361 L363 F385 L391 Y413 L414	L360-L388 HydrophobicContact CB-CD2 4.43Å; L360-L388 HydrophobicContact CD2-CD2 4.05Å; L360-L388 HydrophobicContact CG-CD2 4.02Å; Q361-L388 CarbonylContact O-C 3.53Å; Q361-L388 WeakPolarHBondContact O-CA 3.33Å; L363-L388 HydrophobicContact CB-CD1 4.11Å; L363-L388 HydrophobicContact CB-CD2 4.19Å; L363-L388 HydrophobicContact CD2-CD1 4.25Å; F385-L388 HydrophobicContact CD1-CD1 4.05Å; F385-L388 WeakPolarHBondContact O-CB 3.43Å; F385-L388 WeakPolarHBondContact O-CG 3.45Å; F385-L388 PolarHBondContact O-N 2.7Å; L388-L391 HydrophobicContact CD1-CD1 4.19Å; L388-Y413 CarbonylContact O-C 3.57Å; L388-L414 HydrophobicContact CB-CD1 4.5Å; L388-L414 VanDerWaalsContact O-CA 3.28Å; L388-L414 WeakPolarHBondContact O-CA 3.44Å; L388-L414 PolarHBondContact O-N 2.86Å; L388-L414 VanDerWaalsContact O-N 3.14Å
389	T	98.4	Very high	96	Very high	35 Å²	35	42.5 Å²	42.5	22%	0.215	22%	0.217	C	C	.	.	S	Bend	trans	-96.8	-30.5	170	55.3	0	0	0	0	111.4	Q361 N415 N416	Q361-T389 PolarHBondContact O-N 2.77Å; Q361-T389 PolarHBondContact O-OG1 3.27Å; T389-N415 PolarHBondContact O-N 3.5Å; T389-N416 PolarHBondContact O-N 2.95Å
390	D	98.7	Very high	96.2	Very high	48 Å²	48	36 Å²	36	26%	0.257	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	125.2	-175.6	-55.7	-94.7	0	0	0	109.8	Q361 S362 L363 N416	Q361-D390 PolarHBondContact O-N 3.07Å; Q361-D390 VanDerWaalsContact O-N 3.12Å; S362-D390 WeakPolarHBondContact CA-O 3.49Å; L363-D390 PolarHBondContact N-O 3.17Å; D390-N416 WeakPolarHBondContact CA-O 3.46Å; D390-N416 WeakPolarHBondContact OD1-CB 3.38Å; D390-N416 PolarHBondContact OD1-ND2 3.12Å
391	L	98.7	Very high	96.4	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	115.3	178.4	-178.8	59.5	0	0	0	110.5	L363 L388 L393 I408 L414 N416 L417 L418	L363-L391 HydrophobicContact CB-CD1 4.25Å; L363-L391 HydrophobicContact CD2-CD1 4.16Å; L363-L391 HydrophobicContact CG-CD1 4.35Å; L363-L391 WeakPolarHBondContact O-CA 3.29Å; L388-L391 HydrophobicContact CD1-CD1 4.19Å; L391-L393 HydrophobicContact CD1-CD2 3.89Å; L391-L393 HydrophobicContact CD1-CG 4.1Å; L391-L393 HydrophobicContact CD2-CD1 4.03Å; L391-L393 HydrophobicContact CD2-CG 4.31Å; L391-L393 HydrophobicContact CG-CD1 4.21Å; L391-L393 HydrophobicContact CG-CD2 4.29Å; L391-L393 HydrophobicContact CG-CG 3.93Å; L391-I408 HydrophobicContact CD2-CD1 3.99Å; L391-I408 HydrophobicContact CD2-CG2 4.03Å; L391-L414 HydrophobicContact CB-CD1 3.86Å; L391-N416 PolarHBondContact N-O 2.95Å; L391-L417 HydrophobicContact CB-CD1 4.08Å; L391-L417 HydrophobicContact CD2-CD1 4.02Å; L391-L417 HydrophobicContact CG-CD1 4.12Å; L391-L417 WeakPolarHBondContact O-CA 3.33Å; L391-L418 PolarHBondContact O-N 2.79Å
392	D	98.8	Very high	96.6	Very high	35 Å²	35	35.5 Å²	35.5	19%	0.187	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	109.8	176.2	-178.7	13.3	0	0	0	111.2	L363 S364 L365 T394 L418	L363-D392 PolarHBondContact O-N 3.25Å; S364-D392 PolarHBondContact OG-OD2 2.84Å; L365-D392 PolarHBondContact N-O 3.01Å; D392-T394 WeakPolarHBondContact OD1-CB 3.34Å; D392-T394 PolarHBondContact OD1-N 3.48Å; D392-T394 PolarHBondContact OD1-OG1 3.15Å; D392-L418 HydrophobicContact CB-CB 4.24Å; D392-L418 HydrophobicContact CB-CD1 4.17Å; D392-L418 WeakPolarHBondContact OD1-CB 3.31Å
393	L	98.7	Very high	96.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.			trans	-117.5	34.9	176.2	-55.8	177.5	0	0	0	110.1	W347 L365 L391 H395 I396 L404 L418 L419 N422	W347-L393 HydrophobicContact CH2-CD1 4.45Å; W347-L393 HydrophobicContact CH2-CD2 4.35Å; L365-L393 HydrophobicContact CB-CD2 4Å; L365-L393 HydrophobicContact CD1-CD2 3.82Å; L365-L393 HydrophobicContact CG-CD2 4.27Å; L391-L393 HydrophobicContact CD1-CD2 3.89Å; L391-L393 HydrophobicContact CD1-CG 4.1Å; L391-L393 HydrophobicContact CD2-CD1 4.03Å; L391-L393 HydrophobicContact CD2-CG 4.31Å; L391-L393 HydrophobicContact CG-CD1 4.21Å; L391-L393 HydrophobicContact CG-CD2 4.29Å; L391-L393 HydrophobicContact CG-CG 3.93Å; L393-H395 PolarHBondContact O-N 2.78Å; L393-I396 HydrophobicContact CB-CD1 3.85Å; L393-I396 HydrophobicContact CB-CG1 4.11Å; L393-I396 HydrophobicContact CB-CG2 4.24Å; L393-I396 HydrophobicContact CD1-CD1 4.22Å; L393-I396 HydrophobicContact CD2-CD1 4.22Å; L393-I396 HydrophobicContact CG-CD1 4.32Å; L393-L404 HydrophobicContact CD1-CD1 3.64Å; L393-L404 HydrophobicContact CD1-CD2 3.63Å; L393-L404 HydrophobicContact CD1-CG 4.3Å; L393-L418 CarbonylContact C-O 3.54Å; L393-L418 VanDerWaalsContact C-O 3.32Å; L393-L418 WeakPolarHBondContact CA-O 3.3Å; L393-L418 PolarHBondContact N-O 3.13Å; L393-L419 HydrophobicContact CB-CD2 3.95Å; L393-L419 HydrophobicContact CD1-CD2 4.05Å; L393-L419 HydrophobicContact CG-CD2 4.43Å; L393-N422 PolarHBondContact O-ND2 3.04Å
394	T	98.7	Very high	96.8	Very high	9 Å²	9	32.2 Å²	32.2	6%	0.055	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	128.9	176.2	-64.4	0	0	0	0	110.4	A366 Y367 D392 L418 N420 Y421	A366-T394 CarbonylContact C-O 3.36Å; A366-T394 WeakPolarHBondContact CA-O 3.08Å; Y367-T394 HydrophobicContact CE2-CG2 4.32Å; Y367-T394 PolarHBondContact N-O 2.97Å; D392-T394 WeakPolarHBondContact OD1-CB 3.34Å; D392-T394 PolarHBondContact OD1-N 3.48Å; D392-T394 PolarHBondContact OD1-OG1 3.15Å; T394-L418 PolarHBondContact N-O 3Å; T394-N420 CarbonylContact C-O 3.58Å; T394-N420 VanDerWaalsContact CA-O 3.24Å; T394-N420 WeakPolarHBondContact CA-O 2.99Å; T394-N420 HydrophobicContact CG2-CB 3.9Å; T394-N420 PolarHBondContact OG1-ND2 3.32Å; T394-Y421 HydrophobicContact CG2-CD2 3.93Å
395	H	98.3	Very high	96.8	Very high	82 Å²	82	31.8 Å²	31.8	38%	0.38	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	54.7	175.2	-163	-95.5	0	0	0	113.8	Y367 L393 N420 Y421	Y367-H395 VanDerWaalsContact CA-O 3.32Å; Y367-H395 WeakPolarHBondContact CA-O 2.99Å; Y367-H395 HydrophobicContact CD1-CB 3.71Å; Y367-H395 AromaticContact CD1-CG 3.91Å; Y367-H395 AromaticContact CD1-ND1 3.79Å; Y367-H395 HydrophobicContact CE1-CB 3.95Å; Y367-H395 HydrophobicContact CG-CB 4.34Å; L393-H395 PolarHBondContact O-N 2.78Å; H395-N420 PolarHBondContact N-O 3.14Å; H395-Y421 VanDerWaalsContact CA-O 3.26Å; H395-Y421 WeakPolarHBondContact CA-O 3.42Å; H395-Y421 PolarHBondContact CD2-O 3.49Å; H395-Y421 VanDerWaalsContact CD2-O 3.32Å
396	I	98.2	Very high	96.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-105.1	6	175.6	71	155.6	0	0	0	114.8	W347 L365 N368 L370 G371 L393 L398 N422	W347-I396 HydrophobicContact CH2-CD1 4.46Å; W347-I396 HydrophobicContact CZ2-CD1 3.89Å; L365-I396 WeakPolarHBondContact O-CG2 3.38Å; N368-I396 WeakPolarHBondContact O-CA 3.38Å; N368-I396 WeakPolarHBondContact O-CB 3.15Å; L370-I396 HydrophobicContact CB-CB 4.26Å; L370-I396 HydrophobicContact CB-CD1 4.36Å; L370-I396 HydrophobicContact CD1-CB 4.43Å; L370-I396 HydrophobicContact CD1-CD1 4.46Å; L370-I396 HydrophobicContact CD1-CG2 4.21Å; L370-I396 PolarHBondContact N-O 2.97Å; G371-I396 PolarHBondContact N-O 3.42Å; L393-I396 HydrophobicContact CB-CD1 3.85Å; L393-I396 HydrophobicContact CB-CG1 4.11Å; L393-I396 HydrophobicContact CB-CG2 4.24Å; L393-I396 HydrophobicContact CD1-CD1 4.22Å; L393-I396 HydrophobicContact CD2-CD1 4.22Å; L393-I396 HydrophobicContact CG-CD1 4.32Å; I396-L398 VanDerWaalsContact C-N 3.33Å; I396-L398 HydrophobicContact CD1-CB 4.14Å; I396-L398 HydrophobicContact CG1-CB 3.89Å; I396-N422 WeakPolarHBondContact CG1-OD1 3.31Å; I396-N422 PolarHBondContact N-OD1 2.78Å
397	N	97.7	Very high	96.6	Very high	51 Å²	51	33.4 Å²	33.4	27%	0.273	18%	0.181	S	C	.	.			trans	63.3	35.1	-172.5	-56.4	-7.8	0	0	0	113.1	N369 N422	N369-N397 PolarHBondContact OD1-ND2 3.49Å; N397-N422 PolarHBondContact N-OD1 2.94Å
398	L	98.1	Very high	96.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.			trans	-72.3	125.8	174.7	-175.8	71.4	0	0	0	110.1	N372 I396 L404 L419 N422 E423 I424	N372-L398 HydrophobicContact CB-CD1 4.4Å; N372-L398 WeakPolarHBondContact OD1-CD1 3.39Å; I396-L398 VanDerWaalsContact C-N 3.33Å; I396-L398 HydrophobicContact CD1-CB 4.14Å; I396-L398 HydrophobicContact CG1-CB 3.89Å; L398-L404 HydrophobicContact CD1-CB 4.37Å; L398-L404 HydrophobicContact CD2-CB 4.4Å; L398-L404 HydrophobicContact CD2-CD2 3.69Å; L398-L419 HydrophobicContact CD2-CD2 4.22Å; L398-N422 HydrophobicContact CB-CB 4.08Å; L398-N422 WeakPolarHBondContact CB-OD1 3.44Å; L398-N422 PolarHBondContact N-OD1 3.33Å; L398-N422 WeakPolarHBondContact O-CB 3.03Å; L398-E423 CarbonylContact O-C 3.5Å; L398-E423 WeakPolarHBondContact O-CA 3.45Å; L398-E423 PolarHBondContact O-N 2.93Å; L398-I424 HydrophobicContact CD2-CD1 3.9Å; L398-I424 HydrophobicContact CD2-CG1 4.28Å; L398-I424 HydrophobicContact CG-CD1 4.48Å; L398-I424 HydrophobicContact CG-CG1 4.32Å; L398-I424 PolarHBondContact O-N 2.94Å
399	T	97.4	Very high	96.4	Very high	64 Å²	64	27.9 Å²	27.9	39%	0.393	16%	0.157	S	C	.	.			trans	-114.2	-36.5	176.1	47.7	0	0	0	0	111.8	N372 E423	N372-T399 PolarHBondContact ND2-OG1 2.8Å; N372-T399 PolarHBondContact OD1-N 3.34Å; N372-T399 PolarHBondContact OD1-OG1 2.99Å; T399-E423 HydrophobicContact CG2-CB 3.6Å
400	A	95.2	Very high	96.2	Very high	16 Å²	16	29 Å²	29	13%	0.132	17%	0.169	C	C	.	.			trans	-106	79.7	-172.6	0	0	0	0	0	111.9	N372 H402 Q403	N372-A400 HydrophobicContact CB-CB 4.37Å; N372-A400 PolarHBondContact OD1-N 3.29Å; A400-H402 PolarHBondContact O-N 2.97Å; A400-H402 VanDerWaalsContact O-N 3.08Å; A400-Q403 HydrophobicContact CB-CG 4.07Å; A400-Q403 PolarHBondContact O-N 3.24Å
401	A	95.2	Very high	96	Very high	2 Å²	2	26.7 Å²	26.7	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-55.7	-28.7	-179.1	0	0	0	0	0	114.1	Q403 L404 F405 I424 P428	A401-Q403 VanDerWaalsContact C-N 3.29Å; A401-Q403 PolarHBondContact O-N 3.5Å; A401-L404 PolarHBondContact O-N 3.29Å; A401-F405 HydrophobicContact CB-CE1 4.44Å; A401-F405 HydrophobicContact CB-CZ 4.47Å; A401-F405 WeakPolarHBondContact O-CB 3.5Å; A401-F405 VanDerWaalsContact O-CD1 3.26Å; A401-F405 WeakPolarHBondContact O-CD1 3.26Å; A401-F405 VanDerWaalsContact O-CG 3.31Å; A401-F405 WeakPolarHBondContact O-CG 3.48Å; A401-F405 PolarHBondContact O-N 2.79Å; A401-I424 HydrophobicContact CB-CD1 4.44Å; A401-I424 HydrophobicContact CB-CG2 3.85Å; A401-P428 HydrophobicContact CB-CG 4.26Å
402	H	93.4	Very high	95.8	Very high	108 Å²	108	32.6 Å²	32.6	50%	0.5	18%	0.183	S	C	.	.	H	α-helix	trans	-60.9	-34.1	176.9	67.8	-89.3	0	0	0	113.5	A400 F405 A406 P428	A400-H402 PolarHBondContact O-N 2.97Å; A400-H402 VanDerWaalsContact O-N 3.08Å; H402-F405 PolarHBondContact O-N 2.81Å; H402-A406 WeakPolarHBondContact O-CB 3.31Å; H402-A406 PolarHBondContact O-N 2.83Å; H402-P428 HydrophobicContact CB-CB 4.19Å; H402-P428 HydrophobicContact CB-CG 3.63Å
403	Q	94.8	Very high	95.6	Very high	43 Å²	43	37.8 Å²	37.8	20%	0.201	20%	0.201	C	C	.	.	H	α-helix	trans	-69.4	-43.2	178.8	-60.4	-176	-17.8	0	0	110.4	P373 I375 A400 A401 A406 L407	P373-Q403 HydrophobicContact CG-CB 4.25Å; P373-Q403 PolarHBondContact O-OE1 3.22Å; I375-Q403 HydrophobicContact CD1-CG 4.19Å; I375-Q403 HydrophobicContact CG1-CB 4.45Å; I375-Q403 HydrophobicContact CG1-CG 3.96Å; A400-Q403 HydrophobicContact CB-CG 4.07Å; A400-Q403 PolarHBondContact O-N 3.24Å; A401-Q403 VanDerWaalsContact C-N 3.29Å; A401-Q403 PolarHBondContact O-N 3.5Å; Q403-A406 PolarHBondContact O-N 2.93Å; Q403-L407 PolarHBondContact O-N 3.02Å
404	L	95.8	Very high	95.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-45.8	172.4	178.4	65.5	0	0	0	111	P373 L393 L398 A401 A406 L407 I408 L419	P373-L404 HydrophobicContact CG-CB 4.12Å; P373-L404 HydrophobicContact CG-CD1 4.39Å; L393-L404 HydrophobicContact CD1-CD1 3.64Å; L393-L404 HydrophobicContact CD1-CD2 3.63Å; L393-L404 HydrophobicContact CD1-CG 4.3Å; L398-L404 HydrophobicContact CD1-CB 4.37Å; L398-L404 HydrophobicContact CD2-CB 4.4Å; L398-L404 HydrophobicContact CD2-CD2 3.69Å; A401-L404 PolarHBondContact O-N 3.29Å; L404-A406 VanDerWaalsContact C-N 3.28Å; L404-A406 PolarHBondContact O-N 2.98Å; L404-L407 WeakPolarHBondContact O-CA 3.45Å; L404-L407 VanDerWaalsContact O-CB 3.31Å; L404-L407 WeakPolarHBondContact O-CB 3.43Å; L404-L407 PolarHBondContact O-N 3.03Å; L404-I408 HydrophobicContact CD1-CD1 3.96Å; L404-I408 HydrophobicContact CD1-CG1 4.12Å; L404-I408 HydrophobicContact CD1-CG2 4.39Å; L404-I408 HydrophobicContact CD2-CD1 4.1Å; L404-I408 HydrophobicContact CG-CD1 3.8Å; L404-I408 HydrophobicContact CG-CG1 4.01Å; L404-I408 VanDerWaalsContact O-CG1 3.3Å; L404-I408 WeakPolarHBondContact O-CG1 3.35Å; L404-I408 PolarHBondContact O-N 2.74Å; L404-L419 HydrophobicContact CD2-CD1 4.26Å; L404-L419 HydrophobicContact CD2-CD2 3.59Å
405	F	94.2	Very high	95.5	Very high	13 Å²	13	40.3 Å²	40.3	6%	0.057	21%	0.214	C	C	.	.	H	α-helix	trans	-69.2	-27.4	-175.7	-71.1	12.4	0	0	0	112.3	A401 H402 L407 G409 L417 L419 I427 P428 L430 F435	A401-F405 HydrophobicContact CB-CE1 4.44Å; A401-F405 HydrophobicContact CB-CZ 4.47Å; A401-F405 WeakPolarHBondContact O-CB 3.5Å; A401-F405 VanDerWaalsContact O-CD1 3.26Å; A401-F405 WeakPolarHBondContact O-CD1 3.26Å; A401-F405 VanDerWaalsContact O-CG 3.31Å; A401-F405 WeakPolarHBondContact O-CG 3.48Å; A401-F405 PolarHBondContact O-N 2.79Å; H402-F405 PolarHBondContact O-N 2.81Å; F405-L407 PolarHBondContact O-N 3.12Å; F405-G409 WeakPolarHBondContact O-CA 3.21Å; F405-G409 PolarHBondContact O-N 2.91Å; F405-L417 HydrophobicContact CE1-CD2 4.41Å; F405-L419 HydrophobicContact CE1-CD1 4.08Å; F405-L419 HydrophobicContact CZ-CD1 4.49Å; F405-I427 HydrophobicContact CE2-CD1 4.5Å; F405-I427 HydrophobicContact CE2-CG2 4.14Å; F405-I427 HydrophobicContact CZ-CD1 4.24Å; F405-P428 HydrophobicContact CD2-CB 4.21Å; F405-P428 HydrophobicContact CD2-CG 3.73Å; F405-P428 HydrophobicContact CE2-CG 4.22Å; F405-P428 HydrophobicContact CG-CG 4.35Å; F405-L430 HydrophobicContact CD2-CD2 3.9Å; F405-L430 HydrophobicContact CE2-CD2 3.79Å; F405-F435 HydrophobicContact CB-CE2 4.42Å; F405-F435 HydrophobicContact CB-CZ 4.35Å; F405-F435 AromaticContact CD1-CE2 3.96Å; F405-F435 HydrophobicContact CD1-CE2 3.96Å; F405-F435 AromaticContact CD1-CZ 3.64Å; F405-F435 HydrophobicContact CD1-CZ 3.64Å; F405-F435 AromaticContact CD2-CE2 3.74Å; F405-F435 HydrophobicContact CD2-CE2 3.74Å; F405-F435 HydrophobicContact CD2-CZ 4.26Å; F405-F435 HydrophobicContact CE1-CE2 4.11Å; F405-F435 AromaticContact CE1-CZ 3.94Å; F405-F435 HydrophobicContact CE1-CZ 3.94Å; F405-F435 AromaticContact CE2-CE2 3.89Å; F405-F435 HydrophobicContact CE2-CE2 3.89Å; F405-F435 AromaticContact CG-CE2 3.78Å; F405-F435 HydrophobicContact CG-CE2 3.78Å; F405-F435 AromaticContact CG-CZ 3.83Å; F405-F435 HydrophobicContact CG-CZ 3.83Å; F405-F435 HydrophobicContact CZ-CE2 4.08Å; F405-F435 HydrophobicContact CZ-CZ 4.36Å
406	A	92	Very high	95.5	Very high	71 Å²	71	38.3 Å²	38.3	59%	0.587	21%	0.206	S	C	*	.	H	α-helix	trans	-62.4	-33	169.1	0	0	0	0	0	112.3	H402 Q403 L404	H402-A406 WeakPolarHBondContact O-CB 3.31Å; H402-A406 PolarHBondContact O-N 2.83Å; Q403-A406 PolarHBondContact O-N 2.93Å; L404-A406 VanDerWaalsContact C-N 3.28Å; L404-A406 PolarHBondContact O-N 2.98Å
407	L	94	Very high	95.6	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-78.4	-52.3	178.7	178.4	60	0	0	0	112.5	P373 W377 I382 F385 Q386 Q403 L404 F405	P373-L407 HydrophobicContact CB-CD2 4.41Å; W377-L407 HydrophobicContact CB-CD1 4.15Å; W377-L407 HydrophobicContact CD2-CD1 3.94Å; W377-L407 HydrophobicContact CD2-CD2 4.36Å; W377-L407 HydrophobicContact CG-CD1 3.7Å; W377-L407 HydrophobicContact CZ2-CD2 3.99Å; I382-L407 HydrophobicContact CB-CD1 4.48Å; I382-L407 HydrophobicContact CG1-CD1 4.01Å; F385-L407 HydrophobicContact CB-CD1 4.24Å; F385-L407 HydrophobicContact CB-CG 4.2Å; F385-L407 HydrophobicContact CD1-CD2 4.22Å; F385-L407 HydrophobicContact CD2-CD1 3.81Å; F385-L407 HydrophobicContact CD2-CD2 3.77Å; F385-L407 HydrophobicContact CD2-CG 4.02Å; F385-L407 HydrophobicContact CE1-CD2 4.27Å; F385-L407 HydrophobicContact CE2-CD1 4.48Å; F385-L407 HydrophobicContact CE2-CD2 3.83Å; F385-L407 HydrophobicContact CG-CD1 4.2Å; F385-L407 HydrophobicContact CG-CD2 3.97Å; F385-L407 HydrophobicContact CG-CG 4.04Å; F385-L407 HydrophobicContact CZ-CD2 4.08Å; Q386-L407 PolarHBondContact NE2-O 2.7Å; Q386-L407 VanDerWaalsContact NE2-O 3.08Å; Q403-L407 PolarHBondContact O-N 3.02Å; L404-L407 WeakPolarHBondContact O-CA 3.45Å; L404-L407 VanDerWaalsContact O-CB 3.31Å; L404-L407 WeakPolarHBondContact O-CB 3.43Å; L404-L407 PolarHBondContact O-N 3.03Å; F405-L407 PolarHBondContact O-N 3.12Å
408	I	95.2	Very high	95.6	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-103.4	-13.8	-170.2	60.8	165.5	0	0	0	114.5	F385 L391 L404 A410 S411 L414 L417 F435	F385-I408 HydrophobicContact CB-CG2 4.14Å; F385-I408 HydrophobicContact CD1-CG2 4.22Å; F385-I408 HydrophobicContact CG-CG2 4.48Å; L391-I408 HydrophobicContact CD2-CD1 3.99Å; L391-I408 HydrophobicContact CD2-CG2 4.03Å; L404-I408 HydrophobicContact CD1-CD1 3.96Å; L404-I408 HydrophobicContact CD1-CG1 4.12Å; L404-I408 HydrophobicContact CD1-CG2 4.39Å; L404-I408 HydrophobicContact CD2-CD1 4.1Å; L404-I408 HydrophobicContact CG-CD1 3.8Å; L404-I408 HydrophobicContact CG-CG1 4.01Å; L404-I408 VanDerWaalsContact O-CG1 3.3Å; L404-I408 WeakPolarHBondContact O-CG1 3.35Å; L404-I408 PolarHBondContact O-N 2.74Å; I408-A410 VanDerWaalsContact C-N 3.31Å; I408-A410 PolarHBondContact O-N 2.62Å; I408-S411 WeakPolarHBondContact O-CB 3.27Å; I408-S411 PolarHBondContact O-N 2.92Å; I408-L414 HydrophobicContact CD1-CD2 4Å; I408-L417 HydrophobicContact CD1-CD1 3.81Å; I408-L417 HydrophobicContact CD1-CD2 3.81Å; I408-L417 HydrophobicContact CD1-CG 4.48Å; I408-F435 HydrophobicContact CB-CE1 4.38Å; I408-F435 HydrophobicContact CD1-CE1 3.78Å; I408-F435 HydrophobicContact CD1-CZ 4.06Å; I408-F435 HydrophobicContact CG1-CE1 3.73Å; I408-F435 HydrophobicContact CG1-CZ 3.92Å
409	G	93.7	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-32.7	-168.7	0	0	0	0	0	114.2	F405 S411 L434 F435	F405-G409 WeakPolarHBondContact O-CA 3.21Å; F405-G409 PolarHBondContact O-N 2.91Å; G409-S411 PolarHBondContact O-N 3.38Å; G409-L434 CarbonylContact O-C 3.47Å; G409-L434 WeakPolarHBondContact O-CA 3.41Å; G409-F435 PolarHBondContact O-N 2.98Å
410	A	93.7	Very high	95.7	Very high	58 Å²	58	35.6 Å²	35.6	48%	0.479	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	0.6	177	0	0	0	0	0	113.7	I408 K412	I408-A410 VanDerWaalsContact C-N 3.31Å; I408-A410 PolarHBondContact O-N 2.62Å; A410-K412 PolarHBondContact O-N 3.24Å
411	S	94.7	Very high	95.8	Very high	1 Å²	1	40 Å²	40	1%	0.007	20%	0.203	C	C	.	.			trans	-57.9	132.2	178.6	-178.9	0	0	0	0	111.5	Q386 I408 G409 Y413 L414	Q386-S411 PolarHBondContact O-OG 2.79Å; I408-S411 WeakPolarHBondContact O-CB 3.27Å; I408-S411 PolarHBondContact O-N 2.92Å; G409-S411 PolarHBondContact O-N 3.38Å; S411-Y413 PolarHBondContact OG-N 3.14Å; S411-Y413 VanDerWaalsContact OG-N 3.1Å; S411-L414 WeakPolarHBondContact OG-CB 3.37Å; S411-L414 PolarHBondContact OG-N 2.93Å
412	K	93.1	Very high	96	Very high	126 Å²	126	40.2 Å²	40.2	55%	0.548	20%	0.204	S	C	.	.	S	Bend	trans	-95.8	-2.7	171.5	-60.8	178.5	-174	172.1	0	112	A410 N437	A410-K412 PolarHBondContact O-N 3.24Å; K412-N437 PolarHBondContact O-ND2 3.08Å
413	Y	95.9	Very high	96.2	Very high	144 Å²	144	39.8 Å²	39.8	57%	0.565	20%	0.202	S	C	*	.	S	Bend	trans	-116.7	-28.5	-171.2	-56.5	-75.8	0	0	0	112.3	Q386 L388 S411 N415	Q386-Y413 WeakPolarHBondContact O-CD2 3.28Å; L388-Y413 CarbonylContact O-C 3.57Å; S411-Y413 PolarHBondContact OG-N 3.14Å; S411-Y413 VanDerWaalsContact OG-N 3.1Å; Y413-N415 PolarHBondContact O-N 3Å; Y413-N415 VanDerWaalsContact O-N 3.13Å
414	L	97.8	Very high	96.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	19%	0.193	C	C	.	.			trans	-58	117.5	-176.8	-166.4	70.6	0	0	0	110.9	L388 L391 I408 S411 L417 F435 N437 L438	L388-L414 HydrophobicContact CB-CD1 4.5Å; L388-L414 VanDerWaalsContact O-CA 3.28Å; L388-L414 WeakPolarHBondContact O-CA 3.44Å; L388-L414 PolarHBondContact O-N 2.86Å; L388-L414 VanDerWaalsContact O-N 3.14Å; L391-L414 HydrophobicContact CB-CD1 3.86Å; I408-L414 HydrophobicContact CD1-CD2 4Å; S411-L414 WeakPolarHBondContact OG-CB 3.37Å; S411-L414 PolarHBondContact OG-N 2.93Å; L414-L417 HydrophobicContact CD2-CB 4.16Å; L414-L417 HydrophobicContact CD2-CD1 4.37Å; L414-L417 HydrophobicContact CD2-CD2 4.3Å; L414-F435 HydrophobicContact CD2-CD1 3.94Å; L414-F435 HydrophobicContact CD2-CE1 3.86Å; L414-N437 CarbonylContact O-C 3.57Å; L414-L438 HydrophobicContact CD2-CD1 4.23Å; L414-L438 HydrophobicContact CG-CD1 4.1Å; L414-L438 WeakPolarHBondContact O-CA 3.42Å; L414-L438 PolarHBondContact O-N 3.11Å; L414-L438 VanDerWaalsContact O-N 3.17Å
415	N	97.9	Very high	96.4	Very high	60 Å²	60	40.1 Å²	40.1	32%	0.321	21%	0.212	S	C	.	.			trans	-108.9	-38.8	-178.4	-173.5	-102.7	0	0	0	111.3	T389 Y413 N437 L438 N439 T440	T389-N415 PolarHBondContact O-N 3.5Å; Y413-N415 PolarHBondContact O-N 3Å; Y413-N415 VanDerWaalsContact O-N 3.13Å; N415-N437 PolarHBondContact ND2-O 3.3Å; N415-L438 WeakPolarHBondContact O-CD1 3.33Å; N415-N439 WeakPolarHBondContact ND2-CB 3.42Å; N415-N439 PolarHBondContact O-N 2.83Å; N415-T440 PolarHBondContact O-N 3.36Å
416	N	98.5	Very high	96.4	Very high	41 Å²	41	43.8 Å²	43.8	22%	0.219	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.8	-177.7	-59.2	-50.6	0	0	0	110.4	T389 D390 L391 T440	T389-N416 PolarHBondContact O-N 2.95Å; D390-N416 WeakPolarHBondContact CA-O 3.46Å; D390-N416 WeakPolarHBondContact OD1-CB 3.38Å; D390-N416 PolarHBondContact OD1-ND2 3.12Å; L391-N416 PolarHBondContact N-O 2.95Å; N416-T440 WeakPolarHBondContact OD1-CB 3.32Å; N416-T440 PolarHBondContact OD1-OG1 3.31Å
417	L	98.6	Very high	96.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	116	176.6	-179.9	59.2	0	0	0	109.7	L391 F405 I408 L414 L419 F435 L438 T440 L441 G442	L391-L417 HydrophobicContact CB-CD1 4.08Å; L391-L417 HydrophobicContact CD2-CD1 4.02Å; L391-L417 HydrophobicContact CG-CD1 4.12Å; L391-L417 WeakPolarHBondContact O-CA 3.33Å; F405-L417 HydrophobicContact CE1-CD2 4.41Å; I408-L417 HydrophobicContact CD1-CD1 3.81Å; I408-L417 HydrophobicContact CD1-CD2 3.81Å; I408-L417 HydrophobicContact CD1-CG 4.48Å; L414-L417 HydrophobicContact CD2-CB 4.16Å; L414-L417 HydrophobicContact CD2-CD1 4.37Å; L414-L417 HydrophobicContact CD2-CD2 4.3Å; L417-L419 HydrophobicContact CD1-CD2 3.83Å; L417-L419 HydrophobicContact CD1-CG 4.29Å; L417-L419 HydrophobicContact CD2-CD1 4.15Å; L417-L419 HydrophobicContact CD2-CG 4.37Å; L417-L419 HydrophobicContact CG-CD1 4.33Å; L417-L419 HydrophobicContact CG-CD2 4.1Å; L417-L419 HydrophobicContact CG-CG 3.99Å; L417-F435 HydrophobicContact CD2-CE1 4.2Å; L417-F435 HydrophobicContact CD2-CZ 4.31Å; L417-L438 HydrophobicContact CB-CD1 3.6Å; L417-L438 HydrophobicContact CB-CD2 4.46Å; L417-T440 PolarHBondContact N-O 3.42Å; L417-L441 HydrophobicContact CB-CD1 4.15Å; L417-L441 HydrophobicContact CD2-CD1 4.1Å; L417-L441 HydrophobicContact CG-CD1 4.15Å; L417-L441 CarbonylContact O-C 3.46Å; L417-L441 WeakPolarHBondContact O-CA 3.32Å; L417-G442 PolarHBondContact O-N 3.22Å
418	L	98.7	Very high	96.4	Very high	43 Å²	43	41.9 Å²	41.9	23%	0.225	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.2	179.4	-53.7	-177.8	0	0	0	110.2	L391 D392 L393 T394 M467	L391-L418 PolarHBondContact O-N 2.79Å; D392-L418 HydrophobicContact CB-CB 4.24Å; D392-L418 HydrophobicContact CB-CD1 4.17Å; D392-L418 WeakPolarHBondContact OD1-CB 3.31Å; L393-L418 CarbonylContact C-O 3.54Å; L393-L418 VanDerWaalsContact C-O 3.32Å; L393-L418 WeakPolarHBondContact CA-O 3.3Å; L393-L418 PolarHBondContact N-O 3.13Å; T394-L418 PolarHBondContact N-O 3Å; L418-M467 HydrophobicContact CD2-CE 3.46Å; L418-M467 VanDerWaalsContact CD2-CE 3.46Å
419	L	98.7	Very high	96.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.237	C	C	.	.			trans	-119	28.3	177.6	-51.3	178.6	0	0	0	111.2	L393 L398 L404 F405 L417 N422 I424 G442 L443 N446	L393-L419 HydrophobicContact CB-CD2 3.95Å; L393-L419 HydrophobicContact CD1-CD2 4.05Å; L393-L419 HydrophobicContact CG-CD2 4.43Å; L398-L419 HydrophobicContact CD2-CD2 4.22Å; L404-L419 HydrophobicContact CD2-CD1 4.26Å; L404-L419 HydrophobicContact CD2-CD2 3.59Å; F405-L419 HydrophobicContact CE1-CD1 4.08Å; F405-L419 HydrophobicContact CZ-CD1 4.49Å; L417-L419 HydrophobicContact CD1-CD2 3.83Å; L417-L419 HydrophobicContact CD1-CG 4.29Å; L417-L419 HydrophobicContact CD2-CD1 4.15Å; L417-L419 HydrophobicContact CD2-CG 4.37Å; L417-L419 HydrophobicContact CG-CD1 4.33Å; L417-L419 HydrophobicContact CG-CD2 4.1Å; L417-L419 HydrophobicContact CG-CG 3.99Å; L419-N422 VanDerWaalsContact C-ND2 3.26Å; L419-N422 PolarHBondContact O-ND2 2.81Å; L419-I424 HydrophobicContact CB-CD1 4.01Å; L419-I424 HydrophobicContact CD1-CD1 3.99Å; L419-G442 CarbonylContact C-O 3.56Å; L419-G442 VanDerWaalsContact CA-O 3.3Å; L419-G442 WeakPolarHBondContact CA-O 3.28Å; L419-G442 WeakPolarHBondContact CB-O 3.45Å; L419-G442 PolarHBondContact N-O 3.17Å; L419-L443 HydrophobicContact CB-CD2 4.19Å; L419-L443 HydrophobicContact CD1-CD2 4.23Å; L419-N446 PolarHBondContact O-ND2 2.96Å
420	N	98.4	Very high	95.9	Very high	13 Å²	13	46.3 Å²	46.3	7%	0.07	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	153.9	-177.2	-54	-61.5	0	0	0	111.1	T394 H395 N422 G442 L443 K444	T394-N420 CarbonylContact C-O 3.58Å; T394-N420 VanDerWaalsContact CA-O 3.24Å; T394-N420 WeakPolarHBondContact CA-O 2.99Å; T394-N420 HydrophobicContact CG2-CB 3.9Å; T394-N420 PolarHBondContact OG1-ND2 3.32Å; H395-N420 PolarHBondContact N-O 3.14Å; N420-N422 PolarHBondContact O-N 2.67Å; N420-N422 PolarHBondContact O-ND2 2.76Å; N420-G442 VanDerWaalsContact OD1-CA 3.26Å; N420-G442 WeakPolarHBondContact OD1-CA 3.48Å; N420-L443 PolarHBondContact OD1-N 2.76Å; N420-L443 VanDerWaalsContact OD1-N 3.16Å; N420-K444 CarbonylContact C-O 3.49Å; N420-K444 WeakPolarHBondContact CA-O 3.4Å; N420-K444 HydrophobicContact CB-CB 4.14Å; N420-K444 WeakPolarHBondContact OD1-CB 3.4Å; N420-K444 WeakPolarHBondContact OD1-CG 3.32Å; N420-K444 PolarHBondContact OD1-N 3.28Å
421	Y	98.4	Very high	95.1	Very high	109 Å²	109	48 Å²	48	43%	0.427	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	38.5	174.1	-59.3	-90.1	0	0	0	113.5	T394 H395 K444 N445	T394-Y421 HydrophobicContact CG2-CD2 3.93Å; H395-Y421 VanDerWaalsContact CA-O 3.26Å; H395-Y421 WeakPolarHBondContact CA-O 3.42Å; H395-Y421 PolarHBondContact CD2-O 3.49Å; H395-Y421 VanDerWaalsContact CD2-O 3.32Å; Y421-K444 PolarHBondContact N-O 2.72Å; Y421-N445 WeakPolarHBondContact CA-O 3.28Å; Y421-N445 HydrophobicContact CD1-CB 3.6Å; Y421-N445 HydrophobicContact CE1-CB 3.9Å; Y421-N445 WeakPolarHBondContact CE1-ND2 3.38Å; Y421-N445 HydrophobicContact CG-CB 4.15Å; Y421-N445 PolarHBondContact OH-ND2 3.33Å
422	N	98.6	Very high	93.9	Very high	6 Å²	6	54 Å²	54	3%	0.032	27%	0.271	C	S	.	.	S	Bend	trans	-106.2	-176.6	172.3	-77.5	-67.4	0	0	0	110	L393 I396 N397 L398 L419 N420 I424 N446	L393-N422 PolarHBondContact O-ND2 3.04Å; I396-N422 WeakPolarHBondContact CG1-OD1 3.31Å; I396-N422 PolarHBondContact N-OD1 2.78Å; N397-N422 PolarHBondContact N-OD1 2.94Å; L398-N422 HydrophobicContact CB-CB 4.08Å; L398-N422 WeakPolarHBondContact CB-OD1 3.44Å; L398-N422 PolarHBondContact N-OD1 3.33Å; L398-N422 WeakPolarHBondContact O-CB 3.03Å; L419-N422 VanDerWaalsContact C-ND2 3.26Å; L419-N422 PolarHBondContact O-ND2 2.81Å; N420-N422 PolarHBondContact O-N 2.67Å; N420-N422 PolarHBondContact O-ND2 2.76Å; N422-I424 HydrophobicContact CB-CD1 4.3Å; N422-I424 HydrophobicContact CB-CG1 4.07Å; N422-N446 VanDerWaalsContact CB-OD1 3.3Å; N422-N446 WeakPolarHBondContact CB-OD1 3.48Å; N422-N446 PolarHBondContact O-OD1 3.44Å
423	E	97.7	Very high	93.2	Very high	100 Å²	100	54.6 Å²	54.6	47%	0.467	28%	0.275	S	S	.	.			trans	-108.6	33.9	-177.9	-66.7	177.5	-155.9	0	0	111.1	L398 T399 A425 L447	L398-E423 CarbonylContact O-C 3.5Å; L398-E423 WeakPolarHBondContact O-CA 3.45Å; L398-E423 PolarHBondContact O-N 2.93Å; T399-E423 HydrophobicContact CG2-CB 3.6Å; E423-A425 PolarHBondContact O-N 2.85Å; E423-L447 HydrophobicContact CB-CD1 3.87Å; E423-L447 HydrophobicContact CG-CD1 4.34Å
424	I	97.9	Very high	93	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.258	C	S	.	.			trans	-75.5	121.1	-177.9	-53.5	169.2	0	0	0	109	L398 A401 L419 N422 D426 I427 N446 L447 F448	L398-I424 HydrophobicContact CD2-CD1 3.9Å; L398-I424 HydrophobicContact CD2-CG1 4.28Å; L398-I424 HydrophobicContact CG-CD1 4.48Å; L398-I424 HydrophobicContact CG-CG1 4.32Å; L398-I424 PolarHBondContact O-N 2.94Å; A401-I424 HydrophobicContact CB-CD1 4.44Å; A401-I424 HydrophobicContact CB-CG2 3.85Å; L419-I424 HydrophobicContact CB-CD1 4.01Å; L419-I424 HydrophobicContact CD1-CD1 3.99Å; N422-I424 HydrophobicContact CB-CD1 4.3Å; N422-I424 HydrophobicContact CB-CG1 4.07Å; I424-D426 WeakPolarHBondContact CG2-O 3.47Å; I424-I427 HydrophobicContact CG2-CD1 4.43Å; I424-N446 HydrophobicContact CB-CB 4.4Å; I424-N446 VanDerWaalsContact CB-OD1 3.26Å; I424-N446 WeakPolarHBondContact CB-OD1 3.41Å; I424-N446 VanDerWaalsContact CG1-OD1 3.3Å; I424-N446 WeakPolarHBondContact CG1-OD1 3.34Å; I424-N446 PolarHBondContact N-OD1 3.02Å; I424-N446 VanDerWaalsContact N-OD1 3.12Å; I424-L447 CarbonylContact O-C 3.2Å; I424-L447 WeakPolarHBondContact O-CA 3.1Å; I424-L447 PolarHBondContact O-N 3.3Å; I424-F448 HydrophobicContact CB-CE1 4.47Å; I424-F448 HydrophobicContact CB-CZ 4.03Å; I424-F448 HydrophobicContact CG2-CE1 3.79Å; I424-F448 HydrophobicContact CG2-CZ 3.63Å
425	A	96.4	Very high	92.8	Very high	50 Å²	50	49.7 Å²	49.7	41%	0.413	26%	0.258	S	S	.	.			trans	-97.4	-19.5	178.1	0	0	0	0	0	113.8	E423 L447 F448	E423-A425 PolarHBondContact O-N 2.85Å; A425-L447 HydrophobicContact CB-CB 4.26Å; A425-F448 WeakPolarHBondContact O-CD1 3.47Å
426	D	94.3	Very high	92.5	Very high	89 Å²	89	53 Å²	53	48%	0.476	27%	0.266	S	S	.	.			trans	-151.6	152.4	-176.7	-170.1	28	0	0	0	112.6	I424	I424-D426 WeakPolarHBondContact CG2-O 3.47Å
427	I	93.8	Very high	92.3	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.021	27%	0.269	C	S	.	.			trans	-104.7	124.7	176.5	-68.3	-63.8	0	0	0	109.2	F405 I424 L430 L443 F448 F453 Q456	F405-I427 HydrophobicContact CE2-CD1 4.5Å; F405-I427 HydrophobicContact CE2-CG2 4.14Å; F405-I427 HydrophobicContact CZ-CD1 4.24Å; I424-I427 HydrophobicContact CG2-CD1 4.43Å; I427-L430 HydrophobicContact CG2-CD1 4.01Å; I427-L430 HydrophobicContact CG2-CG 4.16Å; I427-L443 HydrophobicContact CD1-CD2 4.22Å; I427-F448 HydrophobicContact CD1-CE1 4.09Å; I427-F448 HydrophobicContact CD1-CZ 3.78Å; I427-F448 HydrophobicContact CG1-CE1 3.7Å; I427-F448 HydrophobicContact CG1-CZ 3.8Å; I427-F453 HydrophobicContact CB-CB 4.12Å; I427-F453 HydrophobicContact CG1-CB 3.73Å; I427-Q456 HydrophobicContact CB-CB 4.35Å; I427-Q456 HydrophobicContact CB-CG 4.42Å; I427-Q456 HydrophobicContact CG2-CB 3.79Å; I427-Q456 HydrophobicContact CG2-CG 4.21Å
428	P	91.6	Very high	92.2	Very high	31 Å²	31	53.6 Å²	53.6	20%	0.201	27%	0.269	C	S	.	.			trans	-58.9	155.5	175.8	-17.8	27.9	0	0	0	112	A401 H402 F405 L430	A401-P428 HydrophobicContact CB-CG 4.26Å; H402-P428 HydrophobicContact CB-CB 4.19Å; H402-P428 HydrophobicContact CB-CG 3.63Å; F405-P428 HydrophobicContact CD2-CB 4.21Å; F405-P428 HydrophobicContact CD2-CG 3.73Å; F405-P428 HydrophobicContact CE2-CG 4.22Å; F405-P428 HydrophobicContact CG-CG 4.35Å; P428-L430 WeakPolarHBondContact O-CG 3.49Å; P428-L430 PolarHBondContact O-N 3.18Å; P428-L430 VanDerWaalsContact O-N 3.15Å
429	N	90	Very high	92.1	Very high	90 Å²	90	53.6 Å²	53.6	48%	0.481	27%	0.27	S	S	.	.			trans	-56.6	119.7	178.3	-173.9	-23.3	0	0	0	112.2	N431	N429-N431 WeakPolarHBondContact OD1-CB 3.39Å; N429-N431 PolarHBondContact OD1-N 3.32Å; N429-N431 PolarHBondContact OD1-ND2 2.93Å; N429-N431 PolarHBondContact OD1-OD1 2.59Å
430	L	89.9	Confident	92.1	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.026	28%	0.275	C	S	.	.			trans	-92.1	5.2	-176.2	-66.3	-178.9	0	0	0	114.5	F405 I427 P428 N432 L434 F435 Q456 L457 N459 L460	F405-L430 HydrophobicContact CD2-CD2 3.9Å; F405-L430 HydrophobicContact CE2-CD2 3.79Å; I427-L430 HydrophobicContact CG2-CD1 4.01Å; I427-L430 HydrophobicContact CG2-CG 4.16Å; P428-L430 WeakPolarHBondContact O-CG 3.49Å; P428-L430 PolarHBondContact O-N 3.18Å; P428-L430 VanDerWaalsContact O-N 3.15Å; L430-N432 PolarHBondContact O-N 3.13Å; L430-L434 HydrophobicContact CD2-CB 4.42Å; L430-L434 HydrophobicContact CD2-CD1 4.11Å; L430-F435 HydrophobicContact CD2-CD2 4.04Å; L430-F435 HydrophobicContact CD2-CE2 4.08Å; L430-Q456 HydrophobicContact CD1-CB 4.24Å; L430-Q456 HydrophobicContact CG-CB 4.4Å; L430-L457 HydrophobicContact CD1-CD2 4.3Å; L430-N459 HydrophobicContact CB-CB 3.93Å; L430-L460 HydrophobicContact CD1-CD1 4.01Å; L430-L460 HydrophobicContact CD1-CD2 4.05Å; L430-L460 HydrophobicContact CD1-CG 3.94Å
431	N	75.8	Confident	92.1	Very high	94 Å²	94	54.1 Å²	54.1	50%	0.503	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-9.2	-174.3	-65.1	-10.4	0	0	0	115.1	N429 H433 N459	N429-N431 WeakPolarHBondContact OD1-CB 3.39Å; N429-N431 PolarHBondContact OD1-N 3.32Å; N429-N431 PolarHBondContact OD1-ND2 2.93Å; N429-N431 PolarHBondContact OD1-OD1 2.59Å; N431-H433 PolarHBondContact O-N 2.65Å; N431-N459 PolarHBondContact OD1-ND2 3.16Å; N431-N459 PolarHBondContact OD1-OD1 3.02Å; N431-N459 VanDerWaalsContact OD1-OD1 3.06Å
432	N	69.6	Low	92.1	Very high	126 Å²	126	48.9 Å²	48.9	67%	0.674	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	37.5	-171.6	-73.1	-25.8	0	0	0	115	L430 L434	L430-N432 PolarHBondContact O-N 3.13Å; N432-L434 HydrophobicContact CB-CD2 4.47Å; N432-L434 HydrophobicContact CB-CG 4.26Å; N432-L434 PolarHBondContact O-N 3.36Å; N432-L434 VanDerWaalsContact O-N 3.1Å
433	H	79	Confident	92.1	Very high	138 Å²	138	48.6 Å²	48.6	64%	0.639	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	29.4	-176.3	-53.9	-68.6	0	0	0	114.2	N431 R436	N431-H433 PolarHBondContact O-N 2.65Å; H433-R436 VanDerWaalsContact O-CG 3.24Å; H433-R436 WeakPolarHBondContact O-CG 3.27Å; H433-R436 PolarHBondContact O-NE 3.05Å
434	L	91.5	Very high	92.1	Very high	38 Å²	38	45.9 Å²	45.9	20%	0.199	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	148.6	176.1	-56.7	-178.4	0	0	0	109.4	G409 L430 N432 R436	G409-L434 CarbonylContact O-C 3.47Å; G409-L434 WeakPolarHBondContact O-CA 3.41Å; L430-L434 HydrophobicContact CD2-CB 4.42Å; L430-L434 HydrophobicContact CD2-CD1 4.11Å; N432-L434 HydrophobicContact CB-CD2 4.47Å; N432-L434 HydrophobicContact CB-CG 4.26Å; N432-L434 PolarHBondContact O-N 3.36Å; N432-L434 VanDerWaalsContact O-N 3.1Å; L434-R436 PolarHBondContact O-N 2.97Å
435	F	93.6	Very high	92.1	Very high	5 Å²	5	48.8 Å²	48.8	2%	0.022	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	45.8	170	-57	-61.9	0	0	0	114.7	F405 I408 G409 L414 L417 L430 N437 L438 L460	F405-F435 HydrophobicContact CB-CE2 4.42Å; F405-F435 HydrophobicContact CB-CZ 4.35Å; F405-F435 AromaticContact CD1-CE2 3.96Å; F405-F435 HydrophobicContact CD1-CE2 3.96Å; F405-F435 AromaticContact CD1-CZ 3.64Å; F405-F435 HydrophobicContact CD1-CZ 3.64Å; F405-F435 AromaticContact CD2-CE2 3.74Å; F405-F435 HydrophobicContact CD2-CE2 3.74Å; F405-F435 HydrophobicContact CD2-CZ 4.26Å; F405-F435 HydrophobicContact CE1-CE2 4.11Å; F405-F435 AromaticContact CE1-CZ 3.94Å; F405-F435 HydrophobicContact CE1-CZ 3.94Å; F405-F435 AromaticContact CE2-CE2 3.89Å; F405-F435 HydrophobicContact CE2-CE2 3.89Å; F405-F435 AromaticContact CG-CE2 3.78Å; F405-F435 HydrophobicContact CG-CE2 3.78Å; F405-F435 AromaticContact CG-CZ 3.83Å; F405-F435 HydrophobicContact CG-CZ 3.83Å; F405-F435 HydrophobicContact CZ-CE2 4.08Å; F405-F435 HydrophobicContact CZ-CZ 4.36Å; I408-F435 HydrophobicContact CB-CE1 4.38Å; I408-F435 HydrophobicContact CD1-CE1 3.78Å; I408-F435 HydrophobicContact CD1-CZ 4.06Å; I408-F435 HydrophobicContact CG1-CE1 3.73Å; I408-F435 HydrophobicContact CG1-CZ 3.92Å; G409-F435 PolarHBondContact O-N 2.98Å; L414-F435 HydrophobicContact CD2-CD1 3.94Å; L414-F435 HydrophobicContact CD2-CE1 3.86Å; L417-F435 HydrophobicContact CD2-CE1 4.2Å; L417-F435 HydrophobicContact CD2-CZ 4.31Å; L430-F435 HydrophobicContact CD2-CD2 4.04Å; L430-F435 HydrophobicContact CD2-CE2 4.08Å; F435-N437 PolarHBondContact O-N 2.94Å; F435-L438 HydrophobicContact CB-CB 3.77Å; F435-L438 HydrophobicContact CB-CD2 4.09Å; F435-L438 HydrophobicContact CG-CD2 4.23Å; F435-L438 WeakPolarHBondContact O-CB 3.24Å; F435-L438 PolarHBondContact O-N 2.61Å; F435-L460 HydrophobicContact CB-CD2 3.75Å; F435-L460 HydrophobicContact CD2-CD2 4.33Å
436	R	91.2	Very high	92.1	Very high	131 Å²	131	46.5 Å²	46.5	49%	0.494	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-23	-171.9	-61.8	-172.4	-179.2	-165	-5.4	115.6	H433 L434	H433-R436 VanDerWaalsContact O-CG 3.24Å; H433-R436 WeakPolarHBondContact O-CG 3.27Å; H433-R436 PolarHBondContact O-NE 3.05Å; L434-R436 PolarHBondContact O-N 2.97Å
437	N	94.6	Very high	92.3	Very high	53 Å²	53	46.3 Å²	46.3	28%	0.283	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	6.2	-177.2	-83.7	-24.1	0	0	0	114.1	K412 L414 N415 F435 N439 K462	K412-N437 PolarHBondContact O-ND2 3.08Å; L414-N437 CarbonylContact O-C 3.57Å; N415-N437 PolarHBondContact ND2-O 3.3Å; F435-N437 PolarHBondContact O-N 2.94Å; N437-N439 PolarHBondContact O-N 2.93Å; N437-K462 WeakPolarHBondContact OD1-CE 3.45Å; N437-K462 PolarHBondContact OD1-NZ 2.68Å
438	L	97	Very high	92.4	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.232	C	C	.	.			trans	-69.3	121.5	-177	-169.4	75.3	0	0	0	110.1	L414 N415 L417 F435 L441 L460 K462 L463	L414-L438 HydrophobicContact CD2-CD1 4.23Å; L414-L438 HydrophobicContact CG-CD1 4.1Å; L414-L438 WeakPolarHBondContact O-CA 3.42Å; L414-L438 PolarHBondContact O-N 3.11Å; L414-L438 VanDerWaalsContact O-N 3.17Å; N415-L438 WeakPolarHBondContact O-CD1 3.33Å; L417-L438 HydrophobicContact CB-CD1 3.6Å; L417-L438 HydrophobicContact CB-CD2 4.46Å; F435-L438 HydrophobicContact CB-CB 3.77Å; F435-L438 HydrophobicContact CB-CD2 4.09Å; F435-L438 HydrophobicContact CG-CD2 4.23Å; F435-L438 WeakPolarHBondContact O-CB 3.24Å; F435-L438 PolarHBondContact O-N 2.61Å; L438-L441 HydrophobicContact CD2-CB 4.37Å; L438-L441 HydrophobicContact CD2-CD1 4.3Å; L438-L460 HydrophobicContact CD2-CD1 4.12Å; L438-K462 CarbonylContact O-C 3.58Å; L438-K462 VanDerWaalsContact O-C 3.3Å; L438-L463 PolarHBondContact O-N 2.91Å
439	N	97.1	Very high	92.4	Very high	43 Å²	43	48.9 Å²	48.9	23%	0.23	25%	0.248	C	C	.	.			trans	-110.8	-39.7	-176.5	-173.8	-99.2	0	0	0	111.8	N415 N437 K462 D464 H465	N415-N439 WeakPolarHBondContact ND2-CB 3.42Å; N415-N439 PolarHBondContact O-N 2.83Å; N437-N439 PolarHBondContact O-N 2.93Å; N439-K462 WeakPolarHBondContact CA-O 3.31Å; N439-K462 PolarHBondContact ND2-O 3.08Å; N439-D464 WeakPolarHBondContact ND2-CB 3.49Å; N439-D464 PolarHBondContact ND2-OD2 3.36Å; N439-D464 PolarHBondContact O-N 2.92Å; N439-H465 PolarHBondContact O-N 3.08Å
440	T	98.4	Very high	92.5	Very high	18 Å²	18	47.9 Å²	47.9	11%	0.11	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.1	178.5	-50.5	0	0	0	0	111	N415 N416 L417 H465 M467	N415-T440 PolarHBondContact O-N 3.36Å; N416-T440 WeakPolarHBondContact OD1-CB 3.32Å; N416-T440 PolarHBondContact OD1-OG1 3.31Å; L417-T440 PolarHBondContact N-O 3.42Å; T440-H465 CarbonylContact C-O 3.5Å; T440-H465 VanDerWaalsContact CA-O 3.3Å; T440-H465 WeakPolarHBondContact CA-O 3.04Å; T440-H465 HydrophobicContact CG2-CB 4.11Å; T440-M467 HydrophobicContact CG2-CE 4Å
441	L	98.4	Very high	92.6	Very high	5 Å²	5	50 Å²	50	3%	0.026	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	120.5	174.7	-177.9	60.3	0	0	0	111.5	L417 L438 L443 L457 L460 L463 H465 V466 M467	L417-L441 HydrophobicContact CB-CD1 4.15Å; L417-L441 HydrophobicContact CD2-CD1 4.1Å; L417-L441 HydrophobicContact CG-CD1 4.15Å; L417-L441 CarbonylContact O-C 3.46Å; L417-L441 WeakPolarHBondContact O-CA 3.32Å; L438-L441 HydrophobicContact CD2-CB 4.37Å; L438-L441 HydrophobicContact CD2-CD1 4.3Å; L441-L443 HydrophobicContact CD1-CG 4.35Å; L441-L443 HydrophobicContact CD2-CD1 3.73Å; L441-L443 HydrophobicContact CD2-CG 4.23Å; L441-L443 HydrophobicContact CG-CD1 4.01Å; L441-L443 HydrophobicContact CG-CG 3.97Å; L441-L457 HydrophobicContact CD2-CD1 4.26Å; L441-L457 HydrophobicContact CD2-CD2 3.48Å; L441-L457 VanDerWaalsContact CD2-CD2 3.48Å; L441-L460 HydrophobicContact CD2-CD1 4.27Å; L441-L463 HydrophobicContact CB-CD1 3.73Å; L441-H465 PolarHBondContact N-O 3.44Å; L441-V466 WeakPolarHBondContact O-CA 3.43Å; L441-M467 PolarHBondContact O-N 2.84Å
442	G	98.4	Very high	93.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.2	172.7	0	0	0	0	0	112.5	L417 L419 N420	L417-G442 PolarHBondContact O-N 3.22Å; L419-G442 CarbonylContact C-O 3.56Å; L419-G442 VanDerWaalsContact CA-O 3.3Å; L419-G442 WeakPolarHBondContact CA-O 3.28Å; L419-G442 WeakPolarHBondContact CB-O 3.45Å; L419-G442 PolarHBondContact N-O 3.17Å; N420-G442 VanDerWaalsContact OD1-CA 3.26Å; N420-G442 WeakPolarHBondContact OD1-CA 3.48Å
443	L	98.2	Very high	94.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.209	C	C	.	.			trans	-138.6	16.5	180	-70.4	172.1	0	0	0	112.1	L419 N420 I427 L441 N446 F448 F453 L457 M467 V468 C471	L419-L443 HydrophobicContact CB-CD2 4.19Å; L419-L443 HydrophobicContact CD1-CD2 4.23Å; N420-L443 PolarHBondContact OD1-N 2.76Å; N420-L443 VanDerWaalsContact OD1-N 3.16Å; I427-L443 HydrophobicContact CD1-CD2 4.22Å; L441-L443 HydrophobicContact CD1-CG 4.35Å; L441-L443 HydrophobicContact CD2-CD1 3.73Å; L441-L443 HydrophobicContact CD2-CG 4.23Å; L441-L443 HydrophobicContact CG-CD1 4.01Å; L441-L443 HydrophobicContact CG-CG 3.97Å; L443-N446 VanDerWaalsContact C-ND2 3.29Å; L443-N446 PolarHBondContact O-ND2 3.43Å; L443-F448 HydrophobicContact CB-CE2 4.18Å; L443-F448 HydrophobicContact CD1-CE2 4.36Å; L443-F448 HydrophobicContact CD2-CE2 4.07Å; L443-F448 HydrophobicContact CD2-CZ 4.12Å; L443-F448 HydrophobicContact CG-CE2 4.44Å; L443-F453 HydrophobicContact CD1-CD2 4.25Å; L443-F453 HydrophobicContact CD1-CE2 4.46Å; L443-L457 HydrophobicContact CD1-CD1 4.31Å; L443-L457 HydrophobicContact CD1-CD2 4.48Å; L443-M467 CarbonylContact C-O 3.57Å; L443-M467 WeakPolarHBondContact CA-O 3.4Å; L443-M467 PolarHBondContact N-O 2.9Å; L443-V468 HydrophobicContact CB-CG1 4.02Å; L443-V468 HydrophobicContact CD1-CG1 4.47Å; L443-C471 PolarHBondContact O-SG 3.45Å; L443-C471 VanDerWaalsContact O-SG 3.4Å
444	K	96.9	Very high	95.4	Very high	42 Å²	42	35.9 Å²	35.9	18%	0.183	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	146.7	-179.4	-63.9	-172.2	164.6	-157.1	0	111.4	N420 Y421 N446 M467 S469 D498	N420-K444 CarbonylContact C-O 3.49Å; N420-K444 WeakPolarHBondContact CA-O 3.4Å; N420-K444 HydrophobicContact CB-CB 4.14Å; N420-K444 WeakPolarHBondContact OD1-CB 3.4Å; N420-K444 WeakPolarHBondContact OD1-CG 3.32Å; N420-K444 PolarHBondContact OD1-N 3.28Å; Y421-K444 PolarHBondContact N-O 2.72Å; K444-N446 VanDerWaalsContact C-N 3.31Å; K444-N446 PolarHBondContact O-N 3.2Å; K444-N446 PolarHBondContact O-ND2 3.35Å; K444-M467 HydrophobicContact CD-CB 4.14Å; K444-M467 HydrophobicContact CG-CB 3.73Å; K444-M467 PolarHBondContact N-O 2.95Å; K444-S469 CarbonylContact C-O 3.56Å; K444-S469 VanDerWaalsContact CA-O 3.26Å; K444-S469 WeakPolarHBondContact CA-O 3.45Å; K444-S469 WeakPolarHBondContact CB-O 3.17Å; K444-S469 VanDerWaalsContact CD-OG 3.25Å; K444-S469 WeakPolarHBondContact CD-OG 3.38Å; K444-S469 VanDerWaalsContact CE-OG 3.23Å; K444-S469 WeakPolarHBondContact CE-OG 3.11Å; K444-S469 WeakPolarHBondContact CG-OG 3.34Å; K444-S469 PolarHBondContact NZ-OG 2.91Å; K444-D498 WeakPolarHBondContact CE-OD1 3.47Å; K444-D498 IonicContact NZ-OD1 2.64Å
445	N	97.3	Very high	95.6	Very high	61 Å²	61	34.7 Å²	34.7	33%	0.326	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	49.6	174.5	-59.2	-72.2	0	0	0	113.2	Y421 S469	Y421-N445 WeakPolarHBondContact CA-O 3.28Å; Y421-N445 HydrophobicContact CD1-CB 3.6Å; Y421-N445 HydrophobicContact CE1-CB 3.9Å; Y421-N445 WeakPolarHBondContact CE1-ND2 3.38Å; Y421-N445 HydrophobicContact CG-CB 4.15Å; Y421-N445 PolarHBondContact OH-ND2 3.33Å; N445-S469 PolarHBondContact N-O 3.3Å
446	N	98	Very high	95.6	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.011	18%	0.178	C	C	.	.			trans	-105.4	178.2	167.4	-83.3	-81.4	0	0	0	110	L419 N422 I424 L443 K444 F448 P472	L419-N446 PolarHBondContact O-ND2 2.96Å; N422-N446 VanDerWaalsContact CB-OD1 3.3Å; N422-N446 WeakPolarHBondContact CB-OD1 3.48Å; N422-N446 PolarHBondContact O-OD1 3.44Å; I424-N446 HydrophobicContact CB-CB 4.4Å; I424-N446 VanDerWaalsContact CB-OD1 3.26Å; I424-N446 WeakPolarHBondContact CB-OD1 3.41Å; I424-N446 VanDerWaalsContact CG1-OD1 3.3Å; I424-N446 WeakPolarHBondContact CG1-OD1 3.34Å; I424-N446 PolarHBondContact N-OD1 3.02Å; I424-N446 VanDerWaalsContact N-OD1 3.12Å; L443-N446 VanDerWaalsContact C-ND2 3.29Å; L443-N446 PolarHBondContact O-ND2 3.43Å; K444-N446 VanDerWaalsContact C-N 3.31Å; K444-N446 PolarHBondContact O-N 3.2Å; K444-N446 PolarHBondContact O-ND2 3.35Å; N446-F448 HydrophobicContact CB-CD2 3.72Å; N446-F448 HydrophobicContact CB-CE2 3.45Å; N446-F448 VanDerWaalsContact CB-CE2 3.45Å; N446-F448 HydrophobicContact CB-CZ 4.26Å; N446-F448 PolarHBondContact O-N 3.2Å; N446-P472 WeakPolarHBondContact O-CD 3.48Å
447	L	97.1	Very high	95.8	Very high	86 Å²	86	29.7 Å²	29.7	45%	0.45	16%	0.156	S	C	.	.			trans	-96.7	25.4	-171	-58.9	178.9	0	0	0	113.9	E423 I424 A425 T449	E423-L447 HydrophobicContact CB-CD1 3.87Å; E423-L447 HydrophobicContact CG-CD1 4.34Å; I424-L447 CarbonylContact O-C 3.2Å; I424-L447 WeakPolarHBondContact O-CA 3.1Å; I424-L447 PolarHBondContact O-N 3.3Å; A425-L447 HydrophobicContact CB-CB 4.26Å; L447-T449 PolarHBondContact O-N 3.29Å
448	F	95.8	Very high	95.7	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	16%	0.156	C	C	.	.			trans	-65.9	118.7	177.7	-57.3	-65.6	0	0	0	111.1	I424 A425 I427 L443 N446 F453 C471 P472 V473	I424-F448 HydrophobicContact CB-CE1 4.47Å; I424-F448 HydrophobicContact CB-CZ 4.03Å; I424-F448 HydrophobicContact CG2-CE1 3.79Å; I424-F448 HydrophobicContact CG2-CZ 3.63Å; A425-F448 WeakPolarHBondContact O-CD1 3.47Å; I427-F448 HydrophobicContact CD1-CE1 4.09Å; I427-F448 HydrophobicContact CD1-CZ 3.78Å; I427-F448 HydrophobicContact CG1-CE1 3.7Å; I427-F448 HydrophobicContact CG1-CZ 3.8Å; L443-F448 HydrophobicContact CB-CE2 4.18Å; L443-F448 HydrophobicContact CD1-CE2 4.36Å; L443-F448 HydrophobicContact CD2-CE2 4.07Å; L443-F448 HydrophobicContact CD2-CZ 4.12Å; L443-F448 HydrophobicContact CG-CE2 4.44Å; N446-F448 HydrophobicContact CB-CD2 3.72Å; N446-F448 HydrophobicContact CB-CE2 3.45Å; N446-F448 VanDerWaalsContact CB-CE2 3.45Å; N446-F448 HydrophobicContact CB-CZ 4.26Å; N446-F448 PolarHBondContact O-N 3.2Å; F448-F453 HydrophobicContact CB-CD1 3.7Å; F448-F453 HydrophobicContact CB-CE1 3.79Å; F448-F453 HydrophobicContact CB-CG 4.14Å; F448-F453 HydrophobicContact CB-CZ 4.3Å; F448-F453 HydrophobicContact CD1-CB 3.64Å; F448-F453 HydrophobicContact CD1-CD1 4.04Å; F448-F453 HydrophobicContact CD1-CD2 4.19Å; F448-F453 AromaticContact CD1-CG 3.68Å; F448-F453 HydrophobicContact CD1-CG 3.68Å; F448-F453 HydrophobicContact CD2-CD1 4.44Å; F448-F453 AromaticContact CD2-CD2 3.9Å; F448-F453 HydrophobicContact CD2-CD2 3.9Å; F448-F453 AromaticContact CD2-CE2 3.99Å; F448-F453 HydrophobicContact CD2-CE2 3.99Å; F448-F453 HydrophobicContact CD2-CG 4.13Å; F448-F453 HydrophobicContact CD2-CZ 4.3Å; F448-F453 HydrophobicContact CE1-CB 3.82Å; F448-F453 HydrophobicContact CE1-CD2 4.35Å; F448-F453 HydrophobicContact CE1-CG 4.11Å; F448-F453 HydrophobicContact CE2-CD2 4.07Å; F448-F453 HydrophobicContact CE2-CE2 4.38Å; F448-F453 HydrophobicContact CG-CB 4.2Å; F448-F453 AromaticContact CG-CD1 3.81Å; F448-F453 HydrophobicContact CG-CD1 3.81Å; F448-F453 AromaticContact CG-CD2 3.98Å; F448-F453 HydrophobicContact CG-CD2 3.98Å; F448-F453 HydrophobicContact CG-CE1 4.15Å; F448-F453 HydrophobicContact CG-CE2 4.3Å; F448-F453 AromaticContact CG-CG 3.7Å; F448-F453 HydrophobicContact CG-CG 3.7Å; F448-F453 HydrophobicContact CG-CZ 4.37Å; F448-F453 HydrophobicContact CZ-CD2 4.29Å; F448-C471 HydrophobicContact CB-CB 4.27Å; F448-C471 HydrophobicContact CD2-CB 4.41Å; F448-P472 WeakPolarHBondContact O-CD 3.2Å; F448-V473 WeakPolarHBondContact O-CB 3.45Å; F448-V473 PolarHBondContact O-N 3.42Å
449	T	93.6	Very high	95.5	Very high	88 Å²	88	33.1 Å²	33.1	54%	0.54	17%	0.173	S	C	.	.			trans	-105.1	-13.2	179.5	52.1	0	0	0	0	113.5	L447 P472	L447-T449 PolarHBondContact O-N 3.29Å; T449-P472 HydrophobicContact CG2-CB 4.13Å
450	N	91.1	Very high	95.4	Very high	68 Å²	68	31.6 Å²	31.6	36%	0.364	17%	0.165	S	C	.	.	S	Bend	trans	-126.6	164.5	-178.3	70.4	66.2	0	0	0	110.7	D452 F453	N450-D452 WeakPolarHBondContact OD1-CA 3.2Å; N450-D452 WeakPolarHBondContact OD1-CB 3.4Å; N450-D452 PolarHBondContact OD1-N 3.4Å; N450-F453 WeakPolarHBondContact O-CD1 3.47Å; N450-F453 WeakPolarHBondContact O-CE1 3.41Å
451	W	93	Very high	95	Very high	50 Å²	50	35.1 Å²	35.1	19%	0.189	19%	0.191	C	C	.	.	S	Bend	trans	-84	-2.2	-178.8	-70.7	98.3	0	0	0	114.5	F453 V454 N455 V473 F474 E486 V487	W451-F453 VanDerWaalsContact C-N 3.27Å; W451-F453 PolarHBondContact O-N 3.32Å; W451-V454 HydrophobicContact CE3-CB 4.43Å; W451-V454 HydrophobicContact CE3-CG2 3.77Å; W451-V454 HydrophobicContact CZ3-CG2 4.14Å; W451-V454 PolarHBondContact O-N 3.3Å; W451-V454 VanDerWaalsContact O-N 3.12Å; W451-N455 PolarHBondContact O-N 2.99Å; W451-V473 HydrophobicContact CD2-CG2 3.72Å; W451-V473 HydrophobicContact CE3-CG2 4.38Å; W451-V473 HydrophobicContact CG-CG2 3.88Å; W451-V473 HydrophobicContact CZ2-CG2 4.02Å; W451-F474 AromaticContact CH2-CD1 3.66Å; W451-F474 HydrophobicContact CH2-CD1 3.66Å; W451-F474 AromaticContact CH2-CE1 3.45Å; W451-F474 HydrophobicContact CH2-CE1 3.45Å; W451-F474 VanDerWaalsContact CH2-CE1 3.45Å; W451-F474 HydrophobicContact CZ2-CD1 4.28Å; W451-F474 HydrophobicContact CZ2-CE1 4.41Å; W451-F474 HydrophobicContact CZ3-CD1 4.35Å; W451-F474 AromaticContact CZ3-CE1 3.7Å; W451-F474 HydrophobicContact CZ3-CE1 3.7Å; W451-E486 HydrophobicContact CD2-CG 3.97Å; W451-E486 HydrophobicContact CE3-CG 3.86Å; W451-E486 HydrophobicContact CH2-CB 3.61Å; W451-E486 HydrophobicContact CH2-CG 3.42Å; W451-E486 VanDerWaalsContact CH2-CG 3.42Å; W451-E486 HydrophobicContact CZ2-CB 4.04Å; W451-E486 HydrophobicContact CZ2-CG 3.55Å; W451-E486 HydrophobicContact CZ3-CB 4.02Å; W451-E486 HydrophobicContact CZ3-CG 3.58Å; W451-V487 HydrophobicContact CH2-CG2 4.3Å; W451-V487 HydrophobicContact CZ3-CG2 3.76Å
452	D	92.9	Very high	94.8	Very high	58 Å²	58	40 Å²	40	31%	0.31	21%	0.212	S	C	.	.	H	α-helix	trans	-62.6	-35.5	-176.4	-166.6	67	0	0	0	111.9	N450 V454 N455 Q456	N450-D452 WeakPolarHBondContact OD1-CA 3.2Å; N450-D452 WeakPolarHBondContact OD1-CB 3.4Å; N450-D452 PolarHBondContact OD1-N 3.4Å; D452-V454 PolarHBondContact O-N 3.29Å; D452-N455 CarbonylContact O-C 3.52Å; D452-N455 WeakPolarHBondContact O-CA 3.37Å; D452-N455 VanDerWaalsContact O-CB 3.3Å; D452-N455 WeakPolarHBondContact O-CB 3.21Å; D452-N455 PolarHBondContact O-N 3.17Å; D452-Q456 PolarHBondContact O-N 3.02Å; D452-Q456 PolarHBondContact OD2-NE2 3.17Å; D452-Q456 VanDerWaalsContact OD2-NE2 3.08Å
453	F	94.7	Very high	94.7	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-57.3	-39	176.4	85.2	-77	0	0	0	112	I427 L443 F448 N450 W451 N455 Q456 L457 V468 V473 F474	I427-F453 HydrophobicContact CB-CB 4.12Å; I427-F453 HydrophobicContact CG1-CB 3.73Å; L443-F453 HydrophobicContact CD1-CD2 4.25Å; L443-F453 HydrophobicContact CD1-CE2 4.46Å; F448-F453 HydrophobicContact CB-CD1 3.7Å; F448-F453 HydrophobicContact CB-CE1 3.79Å; F448-F453 HydrophobicContact CB-CG 4.14Å; F448-F453 HydrophobicContact CB-CZ 4.3Å; F448-F453 HydrophobicContact CD1-CB 3.64Å; F448-F453 HydrophobicContact CD1-CD1 4.04Å; F448-F453 HydrophobicContact CD1-CD2 4.19Å; F448-F453 AromaticContact CD1-CG 3.68Å; F448-F453 HydrophobicContact CD1-CG 3.68Å; F448-F453 HydrophobicContact CD2-CD1 4.44Å; F448-F453 AromaticContact CD2-CD2 3.9Å; F448-F453 HydrophobicContact CD2-CD2 3.9Å; F448-F453 AromaticContact CD2-CE2 3.99Å; F448-F453 HydrophobicContact CD2-CE2 3.99Å; F448-F453 HydrophobicContact CD2-CG 4.13Å; F448-F453 HydrophobicContact CD2-CZ 4.3Å; F448-F453 HydrophobicContact CE1-CB 3.82Å; F448-F453 HydrophobicContact CE1-CD2 4.35Å; F448-F453 HydrophobicContact CE1-CG 4.11Å; F448-F453 HydrophobicContact CE2-CD2 4.07Å; F448-F453 HydrophobicContact CE2-CE2 4.38Å; F448-F453 HydrophobicContact CG-CB 4.2Å; F448-F453 AromaticContact CG-CD1 3.81Å; F448-F453 HydrophobicContact CG-CD1 3.81Å; F448-F453 AromaticContact CG-CD2 3.98Å; F448-F453 HydrophobicContact CG-CD2 3.98Å; F448-F453 HydrophobicContact CG-CE1 4.15Å; F448-F453 HydrophobicContact CG-CE2 4.3Å; F448-F453 AromaticContact CG-CG 3.7Å; F448-F453 HydrophobicContact CG-CG 3.7Å; F448-F453 HydrophobicContact CG-CZ 4.37Å; F448-F453 HydrophobicContact CZ-CD2 4.29Å; N450-F453 WeakPolarHBondContact O-CD1 3.47Å; N450-F453 WeakPolarHBondContact O-CE1 3.41Å; W451-F453 VanDerWaalsContact C-N 3.27Å; W451-F453 PolarHBondContact O-N 3.32Å; F453-N455 VanDerWaalsContact C-N 3.34Å; F453-Q456 WeakPolarHBondContact O-CB 3.43Å; F453-Q456 PolarHBondContact O-N 3.24Å; F453-L457 WeakPolarHBondContact O-CG 3.43Å; F453-L457 PolarHBondContact O-N 3.26Å; F453-V468 HydrophobicContact CE2-CG1 3.86Å; F453-V468 HydrophobicContact CZ-CG1 4.41Å; F453-V473 HydrophobicContact CE1-CG1 3.87Å; F453-V473 HydrophobicContact CZ-CG1 4.24Å; F453-F474 HydrophobicContact CZ-CZ 4.19Å
454	V	95.4	Very high	94.7	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	22%	0.223	C	C	.	.	H	α-helix	trans	-66.7	-38.3	175	-173.7	0	0	0	0	110.5	W451 D452 Q456 L457 R490 L491	W451-V454 HydrophobicContact CE3-CB 4.43Å; W451-V454 HydrophobicContact CE3-CG2 3.77Å; W451-V454 HydrophobicContact CZ3-CG2 4.14Å; W451-V454 PolarHBondContact O-N 3.3Å; W451-V454 VanDerWaalsContact O-N 3.12Å; D452-V454 PolarHBondContact O-N 3.29Å; V454-Q456 VanDerWaalsContact C-N 3.31Å; V454-Q456 PolarHBondContact O-N 3.44Å; V454-L457 WeakPolarHBondContact O-CB 3.43Å; V454-L457 PolarHBondContact O-N 3.16Å; V454-L457 VanDerWaalsContact O-N 3.15Å; V454-R490 HydrophobicContact CG1-CB 3.71Å; V454-L491 HydrophobicContact CG1-CD1 4.03Å; V454-L491 HydrophobicContact CG1-CD2 4.12Å; V454-L491 HydrophobicContact CG1-CG 3.83Å
455	N	93.8	Very high	94.7	Very high	13 Å²	13	41.4 Å²	41.4	7%	0.07	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-38	175.4	-64.2	-18.3	0	0	0	111.3	W451 D452 F453 L457 L458 R490 L547 P549	W451-N455 PolarHBondContact O-N 2.99Å; D452-N455 CarbonylContact O-C 3.52Å; D452-N455 WeakPolarHBondContact O-CA 3.37Å; D452-N455 VanDerWaalsContact O-CB 3.3Å; D452-N455 WeakPolarHBondContact O-CB 3.21Å; D452-N455 PolarHBondContact O-N 3.17Å; F453-N455 VanDerWaalsContact C-N 3.34Å; N455-L457 VanDerWaalsContact C-N 3.26Å; N455-L457 PolarHBondContact O-N 3.34Å; N455-L458 VanDerWaalsContact O-CB 3.29Å; N455-L458 WeakPolarHBondContact O-CB 3.35Å; N455-L458 PolarHBondContact O-N 3.19Å; N455-R490 PolarHBondContact OD1-NH1 3.32Å; N455-L547 PolarHBondContact ND2-O 3.4Å; N455-L547 VanDerWaalsContact ND2-O 3.12Å; N455-P549 HydrophobicContact CB-CG 4.17Å
456	Q	93.8	Very high	94.8	Very high	29 Å²	29	38.5 Å²	38.5	14%	0.136	21%	0.205	C	C	.	.	H	α-helix	trans	-61.5	-35.8	174.2	-62.8	-54.7	-37	0	0	112	I427 L430 D452 F453 V454 L458 N459	I427-Q456 HydrophobicContact CB-CB 4.35Å; I427-Q456 HydrophobicContact CB-CG 4.42Å; I427-Q456 HydrophobicContact CG2-CB 3.79Å; I427-Q456 HydrophobicContact CG2-CG 4.21Å; L430-Q456 HydrophobicContact CD1-CB 4.24Å; L430-Q456 HydrophobicContact CG-CB 4.4Å; D452-Q456 PolarHBondContact O-N 3.02Å; D452-Q456 PolarHBondContact OD2-NE2 3.17Å; D452-Q456 VanDerWaalsContact OD2-NE2 3.08Å; F453-Q456 WeakPolarHBondContact O-CB 3.43Å; F453-Q456 PolarHBondContact O-N 3.24Å; V454-Q456 VanDerWaalsContact C-N 3.31Å; V454-Q456 PolarHBondContact O-N 3.44Å; Q456-L458 PolarHBondContact O-N 2.77Å; Q456-N459 WeakPolarHBondContact O-CB 3.49Å; Q456-N459 PolarHBondContact O-N 2.8Å; Q456-N459 VanDerWaalsContact O-N 3.14Å; Q456-N459 PolarHBondContact O-ND2 3.39Å; Q456-N459 VanDerWaalsContact O-ND2 3.1Å
457	L	95.6	Very high	94.8	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-64.9	-19.7	179.4	-55.4	-171.8	0	0	0	113.4	L430 L441 L443 F453 V454 N455 N459 L460 L463 V466 L491	L430-L457 HydrophobicContact CD1-CD2 4.3Å; L441-L457 HydrophobicContact CD2-CD1 4.26Å; L441-L457 HydrophobicContact CD2-CD2 3.48Å; L441-L457 VanDerWaalsContact CD2-CD2 3.48Å; L443-L457 HydrophobicContact CD1-CD1 4.31Å; L443-L457 HydrophobicContact CD1-CD2 4.48Å; F453-L457 WeakPolarHBondContact O-CG 3.43Å; F453-L457 PolarHBondContact O-N 3.26Å; V454-L457 WeakPolarHBondContact O-CB 3.43Å; V454-L457 PolarHBondContact O-N 3.16Å; V454-L457 VanDerWaalsContact O-N 3.15Å; N455-L457 VanDerWaalsContact C-N 3.26Å; N455-L457 PolarHBondContact O-N 3.34Å; L457-N459 PolarHBondContact O-N 2.97Å; L457-N459 VanDerWaalsContact O-N 3.16Å; L457-L460 HydrophobicContact CD2-CD1 4.02Å; L457-L460 WeakPolarHBondContact O-CB 3.17Å; L457-L460 PolarHBondContact O-N 2.7Å; L457-L463 HydrophobicContact CB-CD2 3.91Å; L457-L463 HydrophobicContact CD1-CD2 4.33Å; L457-V466 HydrophobicContact CD1-CG1 4.29Å; L457-V466 HydrophobicContact CD1-CG2 4.3Å; L457-L491 HydrophobicContact CB-CD2 3.98Å; L457-L491 HydrophobicContact CD1-CD1 4.41Å
458	L	93.2	Very high	94.8	Very high	55 Å²	55	34.8 Å²	34.8	29%	0.288	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.1	172.7	-80	162	0	0	0	113	N455 Q456 L460 R490 L491 P492 P549 V550	N455-L458 VanDerWaalsContact O-CB 3.29Å; N455-L458 WeakPolarHBondContact O-CB 3.35Å; N455-L458 PolarHBondContact O-N 3.19Å; Q456-L458 PolarHBondContact O-N 2.77Å; L458-L460 PolarHBondContact O-N 2.88Å; L458-R490 WeakPolarHBondContact CD2-O 3.44Å; L458-L491 HydrophobicContact CD2-CD2 4.27Å; L458-L491 HydrophobicContact CG-CD2 4.1Å; L458-P492 HydrophobicContact CD2-CG 4.32Å; L458-P549 HydrophobicContact CD1-CB 4.11Å; L458-P549 HydrophobicContact CD1-CG 3.44Å; L458-P549 VanDerWaalsContact CD1-CG 3.44Å; L458-V550 HydrophobicContact CD1-CG1 3.9Å; L458-V550 HydrophobicContact CD2-CG1 3.86Å
459	N	93	Very high	94.6	Very high	70 Å²	70	36.8 Å²	36.8	37%	0.374	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-7.7	179.8	-61.3	-57.5	0	0	0	113.1	L430 N431 Q456 L457 S461	L430-N459 HydrophobicContact CB-CB 3.93Å; N431-N459 PolarHBondContact OD1-ND2 3.16Å; N431-N459 PolarHBondContact OD1-OD1 3.02Å; N431-N459 VanDerWaalsContact OD1-OD1 3.06Å; Q456-N459 WeakPolarHBondContact O-CB 3.49Å; Q456-N459 PolarHBondContact O-N 2.8Å; Q456-N459 VanDerWaalsContact O-N 3.14Å; Q456-N459 PolarHBondContact O-ND2 3.39Å; Q456-N459 VanDerWaalsContact O-ND2 3.1Å; L457-N459 PolarHBondContact O-N 2.97Å; L457-N459 VanDerWaalsContact O-N 3.16Å; N459-S461 PolarHBondContact O-N 3.02Å
460	L	94.2	Very high	94.6	Very high	11 Å²	11	34.7 Å²	34.7	6%	0.058	20%	0.196	C	C	.	.			trans	-92.4	90.5	178.1	-58.6	177.4	0	0	0	110.3	L430 F435 L438 L441 L457 L458 K462 L463	L430-L460 HydrophobicContact CD1-CD1 4.01Å; L430-L460 HydrophobicContact CD1-CD2 4.05Å; L430-L460 HydrophobicContact CD1-CG 3.94Å; F435-L460 HydrophobicContact CB-CD2 3.75Å; F435-L460 HydrophobicContact CD2-CD2 4.33Å; L438-L460 HydrophobicContact CD2-CD1 4.12Å; L441-L460 HydrophobicContact CD2-CD1 4.27Å; L457-L460 HydrophobicContact CD2-CD1 4.02Å; L457-L460 WeakPolarHBondContact O-CB 3.17Å; L457-L460 PolarHBondContact O-N 2.7Å; L458-L460 PolarHBondContact O-N 2.88Å; L460-K462 PolarHBondContact O-N 3.01Å; L460-K462 VanDerWaalsContact O-N 3.11Å; L460-L463 HydrophobicContact CB-CB 3.78Å; L460-L463 HydrophobicContact CB-CD2 4.24Å; L460-L463 HydrophobicContact CD1-CD1 4.33Å; L460-L463 HydrophobicContact CD1-CD2 4.04Å; L460-L463 WeakPolarHBondContact O-CB 3.2Å; L460-L463 PolarHBondContact O-N 3.41Å; L460-L463 VanDerWaalsContact O-N 3.16Å
461	S	90.6	Very high	94.7	Very high	93 Å²	93	31.5 Å²	31.5	65%	0.65	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.1	-169.1	60.7	0	0	0	0	115.9	N459	N459-S461 PolarHBondContact O-N 3.02Å
462	K	94.9	Very high	94.7	Very high	106 Å²	106	30.8 Å²	30.8	46%	0.461	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	5.1	179.8	-63.8	-157.1	-175.5	179.1	0	114.3	N437 L438 N439 L460 D464	N437-K462 WeakPolarHBondContact OD1-CE 3.45Å; N437-K462 PolarHBondContact OD1-NZ 2.68Å; L438-K462 CarbonylContact O-C 3.58Å; L438-K462 VanDerWaalsContact O-C 3.3Å; N439-K462 WeakPolarHBondContact CA-O 3.31Å; N439-K462 PolarHBondContact ND2-O 3.08Å; L460-K462 PolarHBondContact O-N 3.01Å; L460-K462 VanDerWaalsContact O-N 3.11Å; K462-D464 PolarHBondContact O-N 3.34Å; K462-D464 VanDerWaalsContact O-N 3.16Å
463	L	96.5	Very high	94.7	Very high	9 Å²	9	28 Å²	28	5%	0.047	17%	0.166	C	C	.	.			trans	-69.8	109.4	-176.8	-171.5	72.8	0	0	0	110.3	L438 L441 L457 L460 V466	L438-L463 PolarHBondContact O-N 2.91Å; L441-L463 HydrophobicContact CB-CD1 3.73Å; L457-L463 HydrophobicContact CB-CD2 3.91Å; L457-L463 HydrophobicContact CD1-CD2 4.33Å; L460-L463 HydrophobicContact CB-CB 3.78Å; L460-L463 HydrophobicContact CB-CD2 4.24Å; L460-L463 HydrophobicContact CD1-CD1 4.33Å; L460-L463 HydrophobicContact CD1-CD2 4.04Å; L460-L463 WeakPolarHBondContact O-CB 3.2Å; L460-L463 PolarHBondContact O-N 3.41Å; L460-L463 VanDerWaalsContact O-N 3.16Å; L463-V466 HydrophobicContact CD1-CG2 3.96Å; L463-V466 HydrophobicContact CD2-CG2 3.43Å; L463-V466 VanDerWaalsContact CD2-CG2 3.43Å; L463-V466 HydrophobicContact CG-CG2 3.7Å
464	D	96.7	Very high	94.4	Very high	36 Å²	36	29.3 Å²	29.3	19%	0.193	17%	0.171	C	C	.	.			trans	-110.2	-25.3	-179.7	-74.2	-15.6	0	0	0	112	N439 K462 L494 K495 M496	N439-D464 WeakPolarHBondContact ND2-CB 3.49Å; N439-D464 PolarHBondContact ND2-OD2 3.36Å; N439-D464 PolarHBondContact O-N 2.92Å; K462-D464 PolarHBondContact O-N 3.34Å; K462-D464 VanDerWaalsContact O-N 3.16Å; D464-L494 WeakPolarHBondContact O-CD1 3.36Å; D464-K495 HydrophobicContact CB-CB 4.32Å; D464-K495 HydrophobicContact CB-CD 4.1Å; D464-K495 HydrophobicContact CB-CG 4.25Å; D464-K495 PolarHBondContact O-N 3.27Å; D464-K495 IonicContact OD1-NZ 2.6Å; D464-K495 WeakPolarHBondContact OD2-CE 3.44Å; D464-K495 IonicContact OD2-NZ 3.11Å; D464-K495 PolarHBondContact OD2-NZ 2.72Å; D464-M496 PolarHBondContact O-N 3.3Å
465	H	98.4	Very high	93.8	Very high	28 Å²	28	36.8 Å²	36.8	13%	0.13	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	121.4	-177.5	-176	-168.6	0	0	0	111.7	N439 T440 L441 M496 R499	N439-H465 PolarHBondContact O-N 3.08Å; T440-H465 CarbonylContact C-O 3.5Å; T440-H465 VanDerWaalsContact CA-O 3.3Å; T440-H465 WeakPolarHBondContact CA-O 3.04Å; T440-H465 HydrophobicContact CG2-CB 4.11Å; L441-H465 PolarHBondContact N-O 3.44Å; H465-M496 WeakPolarHBondContact CA-O 3.49Å; H465-M496 HydrophobicContact CB-CB 4.18Å; H465-M496 PolarHBondContact CD2-O 2.84Å; H465-R499 PolarHBondContact NE2-N 3.3Å
466	V	98.3	Very high	92.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	141	175.8	171.9	0	0	0	0	110	L441 L457 L463 V468 L491 L494 M496 L497 D498	L441-V466 WeakPolarHBondContact O-CA 3.43Å; L457-V466 HydrophobicContact CD1-CG1 4.29Å; L457-V466 HydrophobicContact CD1-CG2 4.3Å; L463-V466 HydrophobicContact CD1-CG2 3.96Å; L463-V466 HydrophobicContact CD2-CG2 3.43Å; L463-V466 VanDerWaalsContact CD2-CG2 3.43Å; L463-V466 HydrophobicContact CG-CG2 3.7Å; V466-V468 HydrophobicContact CG1-CB 4.38Å; V466-V468 HydrophobicContact CG1-CG1 3.43Å; V466-V468 VanDerWaalsContact CG1-CG1 3.43Å; V466-V468 HydrophobicContact CG1-CG2 4.21Å; V466-L491 HydrophobicContact CG2-CD1 4.31Å; V466-L494 HydrophobicContact CB-CD1 3.87Å; V466-L494 HydrophobicContact CB-CD2 4.34Å; V466-L494 HydrophobicContact CG2-CD1 3.58Å; V466-M496 PolarHBondContact N-O 2.9Å; V466-L497 CarbonylContact O-C 3.54Å; V466-L497 WeakPolarHBondContact O-CA 3.4Å; V466-D498 PolarHBondContact O-N 2.72Å
467	M	98	Very high	91.8	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.03	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	116.1	171.9	-63.8	175.7	-82	0	0	109.4	L418 T440 L441 L443 K444 D498 R499	L418-M467 HydrophobicContact CD2-CE 3.46Å; L418-M467 VanDerWaalsContact CD2-CE 3.46Å; T440-M467 HydrophobicContact CG2-CE 4Å; L441-M467 PolarHBondContact O-N 2.84Å; L443-M467 CarbonylContact C-O 3.57Å; L443-M467 WeakPolarHBondContact CA-O 3.4Å; L443-M467 PolarHBondContact N-O 2.9Å; K444-M467 HydrophobicContact CD-CB 4.14Å; K444-M467 HydrophobicContact CG-CB 3.73Å; K444-M467 PolarHBondContact N-O 2.95Å; M467-D498 WeakPolarHBondContact CA-OD1 3.41Å; M467-R499 HydrophobicContact SD-CG 4.21Å
468	V	96.3	Very high	90.7	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.018	28%	0.276	C	S	.	.			trans	-135.8	-1.1	-171.4	-75.2	0	0	0	0	113.2	L443 F453 V466 G470 C471 F474 V487 L497 D498	L443-V468 HydrophobicContact CB-CG1 4.02Å; L443-V468 HydrophobicContact CD1-CG1 4.47Å; F453-V468 HydrophobicContact CE2-CG1 3.86Å; F453-V468 HydrophobicContact CZ-CG1 4.41Å; V466-V468 HydrophobicContact CG1-CB 4.38Å; V466-V468 HydrophobicContact CG1-CG1 3.43Å; V466-V468 VanDerWaalsContact CG1-CG1 3.43Å; V466-V468 HydrophobicContact CG1-CG2 4.21Å; V468-G470 PolarHBondContact O-N 2.87Å; V468-C471 PolarHBondContact O-SG 3.33Å; V468-F474 HydrophobicContact CB-CE2 3.82Å; V468-F474 HydrophobicContact CB-CZ 3.78Å; V468-F474 HydrophobicContact CG2-CE2 4.04Å; V468-F474 HydrophobicContact CG2-CZ 3.6Å; V468-F474 WeakPolarHBondContact O-CE2 3.43Å; V468-V487 HydrophobicContact CG2-CG2 4.33Å; V468-L497 HydrophobicContact CG2-CD1 3.7Å; V468-D498 PolarHBondContact N-OD1 2.88Å
469	S	93	Very high	90.1	Very high	44 Å²	44	49 Å²	49	31%	0.308	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	139	178.8	65.8	0	0	0	0	113.3	K444 N445 D498	K444-S469 CarbonylContact C-O 3.56Å; K444-S469 VanDerWaalsContact CA-O 3.26Å; K444-S469 WeakPolarHBondContact CA-O 3.45Å; K444-S469 WeakPolarHBondContact CB-O 3.17Å; K444-S469 VanDerWaalsContact CD-OG 3.25Å; K444-S469 WeakPolarHBondContact CD-OG 3.38Å; K444-S469 VanDerWaalsContact CE-OG 3.23Å; K444-S469 WeakPolarHBondContact CE-OG 3.11Å; K444-S469 WeakPolarHBondContact CG-OG 3.34Å; K444-S469 PolarHBondContact NZ-OG 2.91Å; N445-S469 PolarHBondContact N-O 3.3Å; S469-D498 PolarHBondContact N-OD1 3.28Å; S469-D498 VanDerWaalsContact N-OD1 3.08Å; S469-D498 PolarHBondContact N-OD2 2.79Å
470	G	92.4	Very high	89.7	Confident	44 Å²	44	52.4 Å²	52.4	45%	0.454	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	12	174.9	0	0	0	0	0	115.6	V468	V468-G470 PolarHBondContact O-N 2.87Å
471	C	94.1	Very high	89.3	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.007	32%	0.319	C	S	.	.			trans	-83.7	141.1	169.9	-54.2	0	0	0	0	111.5	L443 F448 V468 V473 F474	L443-C471 PolarHBondContact O-SG 3.45Å; L443-C471 VanDerWaalsContact O-SG 3.4Å; F448-C471 HydrophobicContact CB-CB 4.27Å; F448-C471 HydrophobicContact CD2-CB 4.41Å; V468-C471 PolarHBondContact O-SG 3.33Å; C471-V473 HydrophobicContact CB-CG1 4.01Å; C471-V473 PolarHBondContact O-N 3.25Å; C471-V473 VanDerWaalsContact O-N 3.08Å; C471-F474 HydrophobicContact CB-CD2 3.72Å; C471-F474 HydrophobicContact CB-CE2 3.63Å; C471-F474 WeakPolarHBondContact O-CB 3.31Å; C471-F474 VanDerWaalsContact O-CD2 3.26Å; C471-F474 WeakPolarHBondContact O-CD2 3.38Å; C471-F474 PolarHBondContact O-N 2.99Å
472	P	93.6	Very high	89.3	Confident	34 Å²	34	54.3 Å²	54.3	22%	0.221	30%	0.296	C	S	.	.	H	α-helix	trans	-53.1	-31.7	-178.2	-30.2	34.7	0	0	0	115.5	N446 F448 T449 F474 E475	N446-P472 WeakPolarHBondContact O-CD 3.48Å; F448-P472 WeakPolarHBondContact O-CD 3.2Å; T449-P472 HydrophobicContact CG2-CB 4.13Å; P472-F474 PolarHBondContact O-N 3.35Å; P472-F474 VanDerWaalsContact O-N 3.08Å; P472-E475 WeakPolarHBondContact O-CB 3.31Å; P472-E475 PolarHBondContact O-N 3.33Å
473	V	91.6	Very high	89.1	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-53.3	-29.5	175.4	68.2	0	0	0	0	113.1	F448 W451 F453 C471	F448-V473 WeakPolarHBondContact O-CB 3.45Å; F448-V473 PolarHBondContact O-N 3.42Å; W451-V473 HydrophobicContact CD2-CG2 3.72Å; W451-V473 HydrophobicContact CE3-CG2 4.38Å; W451-V473 HydrophobicContact CG-CG2 3.88Å; W451-V473 HydrophobicContact CZ2-CG2 4.02Å; F453-V473 HydrophobicContact CE1-CG1 3.87Å; F453-V473 HydrophobicContact CZ-CG1 4.24Å; C471-V473 HydrophobicContact CB-CG1 4.01Å; C471-V473 PolarHBondContact O-N 3.25Å; C471-V473 VanDerWaalsContact O-N 3.08Å
474	F	88.8	Confident	89	Confident	27 Å²	27	51.2 Å²	51.2	12%	0.118	28%	0.282	C	S	.	.	H	α-helix	trans	-81.5	-25	179.8	-56.3	-59.2	0	0	0	112.5	W451 F453 V468 C471 P472 N476 S477 A483 V487	W451-F474 AromaticContact CH2-CD1 3.66Å; W451-F474 HydrophobicContact CH2-CD1 3.66Å; W451-F474 AromaticContact CH2-CE1 3.45Å; W451-F474 HydrophobicContact CH2-CE1 3.45Å; W451-F474 VanDerWaalsContact CH2-CE1 3.45Å; W451-F474 HydrophobicContact CZ2-CD1 4.28Å; W451-F474 HydrophobicContact CZ2-CE1 4.41Å; W451-F474 HydrophobicContact CZ3-CD1 4.35Å; W451-F474 AromaticContact CZ3-CE1 3.7Å; W451-F474 HydrophobicContact CZ3-CE1 3.7Å; F453-F474 HydrophobicContact CZ-CZ 4.19Å; V468-F474 HydrophobicContact CB-CE2 3.82Å; V468-F474 HydrophobicContact CB-CZ 3.78Å; V468-F474 HydrophobicContact CG2-CE2 4.04Å; V468-F474 HydrophobicContact CG2-CZ 3.6Å; V468-F474 WeakPolarHBondContact O-CE2 3.43Å; C471-F474 HydrophobicContact CB-CD2 3.72Å; C471-F474 HydrophobicContact CB-CE2 3.63Å; C471-F474 WeakPolarHBondContact O-CB 3.31Å; C471-F474 VanDerWaalsContact O-CD2 3.26Å; C471-F474 WeakPolarHBondContact O-CD2 3.38Å; C471-F474 PolarHBondContact O-N 2.99Å; P472-F474 PolarHBondContact O-N 3.35Å; P472-F474 VanDerWaalsContact O-N 3.08Å; F474-N476 PolarHBondContact O-N 3.1Å; F474-S477 WeakPolarHBondContact O-CB 3.47Å; F474-S477 PolarHBondContact O-N 3.01Å; F474-S477 VanDerWaalsContact O-N 3.14Å; F474-S477 PolarHBondContact O-OG 2.93Å; F474-A483 HydrophobicContact CB-CB 3.96Å; F474-A483 HydrophobicContact CD1-CB 3.4Å; F474-A483 HydrophobicContact CE1-CB 4.28Å; F474-A483 HydrophobicContact CG-CB 4.06Å; F474-V487 HydrophobicContact CE1-CG2 3.64Å; F474-V487 HydrophobicContact CZ-CG2 4.02Å
475	E	81.8	Confident	88.9	Confident	160 Å²	160	51.8 Å²	51.8	75%	0.748	28%	0.283	S	S	*	.	H	α-helix	trans	-67.4	-25.4	173.9	-60.1	-177.5	173.4	0	0	111.5	P472 S477	P472-E475 WeakPolarHBondContact O-CB 3.31Å; P472-E475 PolarHBondContact O-N 3.33Å; E475-S477 VanDerWaalsContact C-N 3.27Å; E475-S477 PolarHBondContact O-N 2.76Å
476	N	74.2	Confident	88.7	Confident	128 Å²	128	50.7 Å²	50.7	68%	0.684	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.8	175.6	-64.5	-28.9	0	0	0	113.5	F474	F474-N476 PolarHBondContact O-N 3.1Å
477	S	72.7	Confident	88.6	Confident	26 Å²	26	50.8 Å²	50.8	18%	0.182	28%	0.279	C	S	.	.	S	Bend	trans	-81.7	154.1	173.7	72.2	0	0	0	0	111.3	F474 E475 N479 A483	F474-S477 WeakPolarHBondContact O-CB 3.47Å; F474-S477 PolarHBondContact O-N 3.01Å; F474-S477 VanDerWaalsContact O-N 3.14Å; F474-S477 PolarHBondContact O-OG 2.93Å; E475-S477 VanDerWaalsContact C-N 3.27Å; E475-S477 PolarHBondContact O-N 2.76Å; S477-N479 PolarHBondContact O-N 3.14Å; S477-N479 PolarHBondContact OG-O 2.88Å; S477-A483 WeakPolarHBondContact OG-CB 3.4Å
478	V	72.5	Confident	88.6	Confident	134 Å²	134	50.5 Å²	50.5	81%	0.812	28%	0.277	S	S	*	.	S	Bend	trans	-54.6	-38.6	179.6	-177.6	0	0	0	0	112.2
479	N	80.5	Confident	88.6	Confident	69 Å²	69	50.4 Å²	50.4	37%	0.369	28%	0.277	S	S	.	.	S	Bend	trans	-160.8	168.4	174.8	59	25.7	0	0	0	110.8	S477 E481 T482 A483	S477-N479 PolarHBondContact O-N 3.14Å; S477-N479 PolarHBondContact OG-O 2.88Å; N479-E481 WeakPolarHBondContact CB-OE2 3.35Å; N479-E481 PolarHBondContact O-N 3.15Å; N479-E481 PolarHBondContact OD1-N 3.06Å; N479-E481 PolarHBondContact OD1-OE2 2.82Å; N479-T482 WeakPolarHBondContact O-CB 3.48Å; N479-T482 PolarHBondContact O-N 2.9Å; N479-T482 VanDerWaalsContact OD1-CB 3.28Å; N479-T482 WeakPolarHBondContact OD1-CB 3.44Å; N479-T482 PolarHBondContact OD1-N 3.47Å; N479-T482 PolarHBondContact OD1-OG1 2.77Å; N479-A483 PolarHBondContact O-N 2.94Å; N479-A483 VanDerWaalsContact O-N 3.1Å
480	I	83.4	Confident	88.7	Confident	140 Å²	140	48.5 Å²	48.5	72%	0.718	26%	0.263	S	S	*	.	H	α-helix	trans	-58.6	-35.4	-177.8	-63.8	170.3	0	0	0	111.3	A483 R484	I480-A483 WeakPolarHBondContact O-CB 3.47Å; I480-A483 PolarHBondContact O-N 3.13Å; I480-R484 WeakPolarHBondContact O-CB 3.32Å; I480-R484 PolarHBondContact O-N 3.15Å
481	E	86.9	Confident	88.9	Confident	118 Å²	118	46.8 Å²	46.8	55%	0.551	24%	0.243	S	C	*	.	H	α-helix	trans	-64.3	-41.4	177.7	-61.5	74.8	-163.5	0	0	111.3	N479 R484 Q485	N479-E481 WeakPolarHBondContact CB-OE2 3.35Å; N479-E481 PolarHBondContact O-N 3.15Å; N479-E481 PolarHBondContact OD1-N 3.06Å; N479-E481 PolarHBondContact OD1-OE2 2.82Å; E481-R484 WeakPolarHBondContact O-CB 3.4Å; E481-R484 PolarHBondContact O-N 3.29Å; E481-Q485 VanDerWaalsContact O-CG 3.26Å; E481-Q485 WeakPolarHBondContact O-CG 3.48Å; E481-Q485 PolarHBondContact O-N 2.79Å
482	T	89.8	Confident	89	Confident	27 Å²	27	47.8 Å²	47.8	17%	0.166	25%	0.25	C	C	.	.	H	α-helix	trans	-65.7	-42.2	176.7	-57.4	0	0	0	0	110.8	N479 Q485 E486	N479-T482 WeakPolarHBondContact O-CB 3.48Å; N479-T482 PolarHBondContact O-N 2.9Å; N479-T482 VanDerWaalsContact OD1-CB 3.28Å; N479-T482 WeakPolarHBondContact OD1-CB 3.44Å; N479-T482 PolarHBondContact OD1-N 3.47Å; N479-T482 PolarHBondContact OD1-OG1 2.77Å; T482-Q485 PolarHBondContact O-N 3.35Å; T482-E486 WeakPolarHBondContact O-CB 3.48Å; T482-E486 PolarHBondContact O-N 3.3Å
483	A	91.4	Very high	89	Confident	3 Å²	3	50.6 Å²	50.6	3%	0.025	26%	0.263	C	S	.	.	H	α-helix	trans	-57.8	-46.1	172.3	0	0	0	0	0	112.1	F474 S477 N479 I480 E486 V487	F474-A483 HydrophobicContact CB-CB 3.96Å; F474-A483 HydrophobicContact CD1-CB 3.4Å; F474-A483 HydrophobicContact CE1-CB 4.28Å; F474-A483 HydrophobicContact CG-CB 4.06Å; S477-A483 WeakPolarHBondContact OG-CB 3.4Å; N479-A483 PolarHBondContact O-N 2.94Å; N479-A483 VanDerWaalsContact O-N 3.1Å; I480-A483 WeakPolarHBondContact O-CB 3.47Å; I480-A483 PolarHBondContact O-N 3.13Å; A483-E486 WeakPolarHBondContact O-CB 3.31Å; A483-E486 PolarHBondContact O-N 3.13Å; A483-V487 WeakPolarHBondContact O-CG2 3.48Å; A483-V487 PolarHBondContact O-N 2.96Å; A483-V487 VanDerWaalsContact O-N 3.13Å
484	R	94.3	Very high	89.3	Confident	46 Å²	46	50.8 Å²	50.8	17%	0.174	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-49.1	176.8	-174.9	-179.5	169	80.7	3.3	111.3	I480 E481 E486 V487 I488 L497 V500 E501 E506	I480-R484 WeakPolarHBondContact O-CB 3.32Å; I480-R484 PolarHBondContact O-N 3.15Å; E481-R484 WeakPolarHBondContact O-CB 3.4Å; E481-R484 PolarHBondContact O-N 3.29Å; R484-E486 VanDerWaalsContact C-N 3.29Å; R484-E486 PolarHBondContact O-N 2.77Å; R484-V487 PolarHBondContact O-N 3.03Å; R484-I488 HydrophobicContact CG-CD1 3.89Å; R484-I488 VanDerWaalsContact O-CG1 3.29Å; R484-I488 WeakPolarHBondContact O-CG1 3.38Å; R484-I488 PolarHBondContact O-N 3.06Å; R484-L497 HydrophobicContact CB-CD2 4.49Å; R484-L497 HydrophobicContact CG-CD2 3.65Å; R484-L497 PolarHBondContact NH1-O 2.89Å; R484-V500 PolarHBondContact NH2-O 2.88Å; R484-E501 PolarHBondContact NH2-O 3.31Å; R484-E506 WeakPolarHBondContact CD-OE1 3.41Å; R484-E506 IonicContact CZ-OE1 2.68Å; R484-E506 IonicContact CZ-OE2 3.56Å; R484-E506 IonicContact NE-OE1 3.28Å; R484-E506 PolarHBondContact NE-OE1 3.25Å; R484-E506 IonicContact NE-OE2 2.7Å; R484-E506 IonicContact NH2-OE1 3.52Å; R484-E506 IonicContact NH2-OE2 3.82Å; R484-E506 PolarHBondContact NH2-OE2 2.87Å
485	Q	94.1	Very high	89.7	Confident	49 Å²	49	55.4 Å²	55.4	23%	0.229	28%	0.284	C	S	.	.	H	α-helix	trans	-58.4	-40.8	176.9	-70.4	174.2	-17.5	0	0	112.2	E481 T482 I488 A489 S510	E481-Q485 VanDerWaalsContact O-CG 3.26Å; E481-Q485 WeakPolarHBondContact O-CG 3.48Å; E481-Q485 PolarHBondContact O-N 2.79Å; T482-Q485 PolarHBondContact O-N 3.35Å; Q485-I488 PolarHBondContact O-N 3.3Å; Q485-A489 WeakPolarHBondContact O-CB 3.49Å; Q485-A489 PolarHBondContact O-N 2.94Å; Q485-S510 WeakPolarHBondContact CG-OG 3.46Å; Q485-S510 WeakPolarHBondContact O-CB 3.29Å
486	E	94.4	Very high	90.5	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.019	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-44.3	177.5	-173.3	74	-165.7	0	0	111.7	W451 T482 A483 R484 R490 Y514 R517 Y518	W451-E486 HydrophobicContact CD2-CG 3.97Å; W451-E486 HydrophobicContact CE3-CG 3.86Å; W451-E486 HydrophobicContact CH2-CB 3.61Å; W451-E486 HydrophobicContact CH2-CG 3.42Å; W451-E486 VanDerWaalsContact CH2-CG 3.42Å; W451-E486 HydrophobicContact CZ2-CB 4.04Å; W451-E486 HydrophobicContact CZ2-CG 3.55Å; W451-E486 HydrophobicContact CZ3-CB 4.02Å; W451-E486 HydrophobicContact CZ3-CG 3.58Å; T482-E486 WeakPolarHBondContact O-CB 3.48Å; T482-E486 PolarHBondContact O-N 3.3Å; A483-E486 WeakPolarHBondContact O-CB 3.31Å; A483-E486 PolarHBondContact O-N 3.13Å; R484-E486 VanDerWaalsContact C-N 3.29Å; R484-E486 PolarHBondContact O-N 2.77Å; E486-R490 WeakPolarHBondContact O-CB 3.45Å; E486-R490 VanDerWaalsContact O-CG 3.26Å; E486-R490 WeakPolarHBondContact O-CG 3.3Å; E486-R490 PolarHBondContact O-N 2.93Å; E486-R490 IonicContact OE1-CZ 3.22Å; E486-R490 VanDerWaalsContact OE1-CZ 3.22Å; E486-R490 IonicContact OE1-NE 2.82Å; E486-R490 PolarHBondContact OE1-NE 3.3Å; E486-R490 IonicContact OE1-NH2 2.77Å; E486-R490 PolarHBondContact OE1-NH2 2.77Å; E486-Y514 WeakPolarHBondContact OE1-CE2 3.39Å; E486-Y514 WeakPolarHBondContact OE2-CD2 3.48Å; E486-R517 IonicContact OE2-CZ 3.85Å; E486-R517 IonicContact OE2-NH1 2.72Å; E486-R517 PolarHBondContact OE2-NH1 3.34Å; E486-Y518 VanDerWaalsContact OE1-CE2 3.32Å; E486-Y518 WeakPolarHBondContact OE1-CE2 3.42Å; E486-Y518 PolarHBondContact OE1-OH 3.36Å; E486-Y518 WeakPolarHBondContact OE2-CE2 3.42Å; E486-Y518 PolarHBondContact OE2-OH 3.18Å
487	V	96.6	Very high	91.6	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-46.1	174.4	178.7	0	0	0	0	111.2	W451 V468 F474 A483 R484 A489 R490 L491 L494 L497	W451-V487 HydrophobicContact CH2-CG2 4.3Å; W451-V487 HydrophobicContact CZ3-CG2 3.76Å; V468-V487 HydrophobicContact CG2-CG2 4.33Å; F474-V487 HydrophobicContact CE1-CG2 3.64Å; F474-V487 HydrophobicContact CZ-CG2 4.02Å; A483-V487 WeakPolarHBondContact O-CG2 3.48Å; A483-V487 PolarHBondContact O-N 2.96Å; A483-V487 VanDerWaalsContact O-N 3.13Å; R484-V487 PolarHBondContact O-N 3.03Å; V487-A489 VanDerWaalsContact C-N 3.31Å; V487-A489 PolarHBondContact O-N 2.88Å; V487-R490 PolarHBondContact O-N 2.78Å; V487-L491 HydrophobicContact CG1-CD1 3.97Å; V487-L491 PolarHBondContact O-N 2.92Å; V487-L494 HydrophobicContact CG1-CD2 4.21Å; V487-L497 HydrophobicContact CB-CD2 3.82Å; V487-L497 HydrophobicContact CG1-CD1 3.9Å; V487-L497 HydrophobicContact CG1-CD2 3.8Å
488	I	97.3	Very high	92.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-42.9	-179.3	-69.4	170.2	0	0	0	111.2	R484 Q485 L491 L497 I502 E506 R507	R484-I488 HydrophobicContact CG-CD1 3.89Å; R484-I488 VanDerWaalsContact O-CG1 3.29Å; R484-I488 WeakPolarHBondContact O-CG1 3.38Å; R484-I488 PolarHBondContact O-N 3.06Å; Q485-I488 PolarHBondContact O-N 3.3Å; I488-L491 CarbonylContact O-C 3.58Å; I488-L497 HydrophobicContact CD1-CD2 4.48Å; I488-L497 HydrophobicContact CG1-CD2 3.95Å; I488-I502 HydrophobicContact CD1-CD1 4.47Å; I488-I502 HydrophobicContact CD1-CG1 4.11Å; I488-I502 HydrophobicContact CD1-CG2 4.08Å; I488-I502 HydrophobicContact CG1-CD1 3.9Å; I488-I502 HydrophobicContact CG1-CG1 4.1Å; I488-I502 HydrophobicContact CG1-CG2 4.28Å; I488-I502 HydrophobicContact CG2-CG2 3.93Å; I488-E506 VanDerWaalsContact CD1-CD 3.46Å; I488-E506 HydrophobicContact CD1-CG 3.82Å; I488-E506 WeakPolarHBondContact CD1-OE1 3.44Å; I488-R507 HydrophobicContact CG2-CB 4.28Å; I488-R507 HydrophobicContact CG2-CG 4.49Å; I488-R507 PolarHBondContact O-NH1 2.92Å
489	A	97	Very high	93.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.9	-39.9	178.2	0	0	0	0	0	112.3	Q485 V487 L491 E511 Y514	Q485-A489 WeakPolarHBondContact O-CB 3.49Å; Q485-A489 PolarHBondContact O-N 2.94Å; V487-A489 VanDerWaalsContact C-N 3.31Å; V487-A489 PolarHBondContact O-N 2.88Å; A489-L491 VanDerWaalsContact C-N 3.32Å; A489-L491 PolarHBondContact O-N 3.36Å; A489-E511 HydrophobicContact CB-CG 4.39Å; A489-Y514 HydrophobicContact CB-CD2 3.62Å; A489-Y514 HydrophobicContact CB-CE2 4.4Å; A489-Y514 HydrophobicContact CB-CG 3.68Å
490	R	96.3	Very high	94.5	Very high	5 Å²	5	48.5 Å²	48.5	2%	0.019	23%	0.233	C	C	.	.	H	α-helix	trans	-69.4	-25.3	176.8	-73.3	177.3	-178.2	-84.7	-4.8	113.5	V454 N455 L458 E486 V487 P492 Y514 L547 H548 V550	V454-R490 HydrophobicContact CG1-CB 3.71Å; N455-R490 PolarHBondContact OD1-NH1 3.32Å; L458-R490 WeakPolarHBondContact CD2-O 3.44Å; E486-R490 WeakPolarHBondContact O-CB 3.45Å; E486-R490 VanDerWaalsContact O-CG 3.26Å; E486-R490 WeakPolarHBondContact O-CG 3.3Å; E486-R490 PolarHBondContact O-N 2.93Å; E486-R490 IonicContact OE1-CZ 3.22Å; E486-R490 VanDerWaalsContact OE1-CZ 3.22Å; E486-R490 IonicContact OE1-NE 2.82Å; E486-R490 PolarHBondContact OE1-NE 3.3Å; E486-R490 IonicContact OE1-NH2 2.77Å; E486-R490 PolarHBondContact OE1-NH2 2.77Å; V487-R490 PolarHBondContact O-N 2.78Å; R490-P492 WeakPolarHBondContact O-CD 3.44Å; R490-Y514 HydrophobicContact CG-CE2 3.79Å; R490-L547 PolarHBondContact NH1-O 2.89Å; R490-H548 PolarHBondContact NH2-CE1 3.41Å; R490-H548 VanDerWaalsContact NH2-CE1 3.34Å; R490-H548 PolarHBondContact NH2-ND1 2.86Å; R490-V550 WeakPolarHBondContact O-CG1 3.31Å
491	L	96.7	Very high	95.2	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.042	23%	0.231	C	C	.	.			trans	-118.3	85.6	-179.2	-60.9	178.5	0	0	0	111.1	V454 L457 L458 V466 V487 I488 A489 N493 L494 R507	V454-L491 HydrophobicContact CG1-CD1 4.03Å; V454-L491 HydrophobicContact CG1-CD2 4.12Å; V454-L491 HydrophobicContact CG1-CG 3.83Å; L457-L491 HydrophobicContact CB-CD2 3.98Å; L457-L491 HydrophobicContact CD1-CD1 4.41Å; L458-L491 HydrophobicContact CD2-CD2 4.27Å; L458-L491 HydrophobicContact CG-CD2 4.1Å; V466-L491 HydrophobicContact CG2-CD1 4.31Å; V487-L491 HydrophobicContact CG1-CD1 3.97Å; V487-L491 PolarHBondContact O-N 2.92Å; I488-L491 CarbonylContact O-C 3.58Å; A489-L491 VanDerWaalsContact C-N 3.32Å; A489-L491 PolarHBondContact O-N 3.36Å; L491-N493 VanDerWaalsContact C-N 3.25Å; L491-N493 PolarHBondContact O-N 3.29Å; L491-N493 VanDerWaalsContact O-N 3.16Å; L491-L494 HydrophobicContact CB-CB 3.9Å; L491-L494 HydrophobicContact CB-CD2 4.35Å; L491-L494 HydrophobicContact CD1-CD2 4.13Å; L491-L494 WeakPolarHBondContact O-CB 3.3Å; L491-L494 PolarHBondContact O-N 3.02Å; L491-R507 PolarHBondContact O-NH1 2.9Å; L491-R507 PolarHBondContact O-NH2 3.11Å
492	P	94.2	Very high	95.7	Very high	22 Å²	22	43.8 Å²	43.8	14%	0.143	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-20.6	-168.4	25.4	-34.5	0	0	0	114.6	L458 R490 R507	L458-P492 HydrophobicContact CD2-CG 4.32Å; R490-P492 WeakPolarHBondContact O-CD 3.44Å; P492-R507 PolarHBondContact O-NH1 3.32Å
493	N	94	Very high	96.1	Very high	92 Å²	92	45.6 Å²	45.6	49%	0.492	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-4	-178.6	-61.4	-23.2	0	0	0	113.3	L491 K495	L491-N493 VanDerWaalsContact C-N 3.25Å; L491-N493 PolarHBondContact O-N 3.29Å; L491-N493 VanDerWaalsContact O-N 3.16Å; N493-K495 PolarHBondContact O-N 3.07Å
494	L	97.8	Very high	96.4	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	25%	0.248	C	C	.	.			trans	-63.5	132.9	-175.8	-167.5	70.5	0	0	0	111	D464 V466 V487 L491 L497 I502 R507	D464-L494 WeakPolarHBondContact O-CD1 3.36Å; V466-L494 HydrophobicContact CB-CD1 3.87Å; V466-L494 HydrophobicContact CB-CD2 4.34Å; V466-L494 HydrophobicContact CG2-CD1 3.58Å; V487-L494 HydrophobicContact CG1-CD2 4.21Å; L491-L494 HydrophobicContact CB-CB 3.9Å; L491-L494 HydrophobicContact CB-CD2 4.35Å; L491-L494 HydrophobicContact CD1-CD2 4.13Å; L491-L494 WeakPolarHBondContact O-CB 3.3Å; L491-L494 PolarHBondContact O-N 3.02Å; L494-L497 HydrophobicContact CD2-CB 3.97Å; L494-L497 HydrophobicContact CD2-CD1 4.32Å; L494-I502 HydrophobicContact CB-CD1 3.98Å; L494-I502 HydrophobicContact CD2-CD1 3.77Å; L494-I502 HydrophobicContact CG-CD1 3.77Å; L494-I502 WeakPolarHBondContact O-CD1 3.39Å; L494-R507 PolarHBondContact O-NH2 3.4Å
495	K	97.9	Very high	96.5	Very high	124 Å²	124	54.5 Å²	54.5	54%	0.539	27%	0.271	S	S	.	.			trans	-103	-32.4	179.1	-62.6	179.4	-172.3	155.2	0	112.5	D464 N493 I502	D464-K495 HydrophobicContact CB-CB 4.32Å; D464-K495 HydrophobicContact CB-CD 4.1Å; D464-K495 HydrophobicContact CB-CG 4.25Å; D464-K495 PolarHBondContact O-N 3.27Å; D464-K495 IonicContact OD1-NZ 2.6Å; D464-K495 WeakPolarHBondContact OD2-CE 3.44Å; D464-K495 IonicContact OD2-NZ 3.11Å; D464-K495 PolarHBondContact OD2-NZ 2.72Å; N493-K495 PolarHBondContact O-N 3.07Å; K495-I502 PolarHBondContact O-N 2.8Å
496	M	98.4	Very high	96.6	Very high	66 Å²	66	54.8 Å²	54.8	33%	0.325	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.2	-176.7	-171.8	174.7	-73.5	0	0	110.6	D464 H465 V466	D464-M496 PolarHBondContact O-N 3.3Å; H465-M496 WeakPolarHBondContact CA-O 3.49Å; H465-M496 HydrophobicContact CB-CB 4.18Å; H465-M496 PolarHBondContact CD2-O 2.84Å; V466-M496 PolarHBondContact N-O 2.9Å
497	L	97.9	Very high	96.8	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.3	176.8	175.6	56.9	0	0	0	109.4	V466 V468 R484 V487 I488 L494 R499 V500 I502	V466-L497 CarbonylContact O-C 3.54Å; V466-L497 WeakPolarHBondContact O-CA 3.4Å; V468-L497 HydrophobicContact CG2-CD1 3.7Å; R484-L497 HydrophobicContact CB-CD2 4.49Å; R484-L497 HydrophobicContact CG-CD2 3.65Å; R484-L497 PolarHBondContact NH1-O 2.89Å; V487-L497 HydrophobicContact CB-CD2 3.82Å; V487-L497 HydrophobicContact CG1-CD1 3.9Å; V487-L497 HydrophobicContact CG1-CD2 3.8Å; I488-L497 HydrophobicContact CD1-CD2 4.48Å; I488-L497 HydrophobicContact CG1-CD2 3.95Å; L494-L497 HydrophobicContact CD2-CB 3.97Å; L494-L497 HydrophobicContact CD2-CD1 4.32Å; L497-R499 PolarHBondContact O-N 3.02Å; L497-V500 PolarHBondContact N-O 2.88Å; L497-V500 PolarHBondContact O-N 2.66Å; L497-I502 HydrophobicContact CB-CD1 4.01Å; L497-I502 HydrophobicContact CB-CG1 4.27Å
498	D	95.9	Very high	96.8	Very high	40 Å²	40	63.6 Å²	63.6	21%	0.214	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	36.3	-178	-70.8	-55.3	0	0	0	114	K444 V466 M467 V468 S469 V500	K444-D498 WeakPolarHBondContact CE-OD1 3.47Å; K444-D498 IonicContact NZ-OD1 2.64Å; V466-D498 PolarHBondContact O-N 2.72Å; M467-D498 WeakPolarHBondContact CA-OD1 3.41Å; V468-D498 PolarHBondContact N-OD1 2.88Å; S469-D498 PolarHBondContact N-OD1 3.28Å; S469-D498 VanDerWaalsContact N-OD1 3.08Å; S469-D498 PolarHBondContact N-OD2 2.79Å; D498-V500 VanDerWaalsContact C-N 3.26Å; D498-V500 PolarHBondContact O-N 3.49Å
499	R	94.6	Very high	96.7	Very high	184 Å²	184	64.9 Å²	64.9	69%	0.694	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	14.5	-177.3	-51.3	-179.8	179.1	-175.1	-3.1	114.7	H465 M467 L497	H465-R499 PolarHBondContact NE2-N 3.3Å; M467-R499 HydrophobicContact SD-CG 4.21Å; L497-R499 PolarHBondContact O-N 3.02Å
500	V	96.1	Very high	96.7	Very high	82 Å²	82	65 Å²	65	50%	0.497	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.3	173.1	-176.4	0	0	0	0	108.6	R484 L497 D498	R484-V500 PolarHBondContact NH2-O 2.88Å; L497-V500 PolarHBondContact N-O 2.88Å; L497-V500 PolarHBondContact O-N 2.66Å; D498-V500 VanDerWaalsContact C-N 3.26Å; D498-V500 PolarHBondContact O-N 3.49Å
501	E	97.8	Very high	96.7	Very high	145 Å²	145	64.9 Å²	64.9	68%	0.678	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.7	144.1	175.6	-172.5	175	-174.9	0	0	111.1	R484	R484-E501 PolarHBondContact NH2-O 3.31Å
502	I	98	Very high	96.6	Very high	14 Å²	14	67 Å²	67	7%	0.072	33%	0.33	C	S	.	.			trans	-98.1	113.9	177.9	-61.3	160.7	0	0	0	108.4	I488 L494 K495 L497 R507	I488-I502 HydrophobicContact CD1-CD1 4.47Å; I488-I502 HydrophobicContact CD1-CG1 4.11Å; I488-I502 HydrophobicContact CD1-CG2 4.08Å; I488-I502 HydrophobicContact CG1-CD1 3.9Å; I488-I502 HydrophobicContact CG1-CG1 4.1Å; I488-I502 HydrophobicContact CG1-CG2 4.28Å; I488-I502 HydrophobicContact CG2-CG2 3.93Å; L494-I502 HydrophobicContact CB-CD1 3.98Å; L494-I502 HydrophobicContact CD2-CD1 3.77Å; L494-I502 HydrophobicContact CG-CD1 3.77Å; L494-I502 WeakPolarHBondContact O-CD1 3.39Å; K495-I502 PolarHBondContact O-N 2.8Å; L497-I502 HydrophobicContact CB-CD1 4.01Å; L497-I502 HydrophobicContact CB-CG1 4.27Å; I502-R507 HydrophobicContact CG2-CB 4.07Å
503	T	97.7	Very high	96.5	Very high	65 Å²	65	68.3 Å²	68.3	40%	0.399	34%	0.336	S	S	.	.			trans	-75.6	155.4	178.4	71.7	0	0	0	0	111.6	E505 E506 R507	T503-E505 PolarHBondContact O-N 3.05Å; T503-E506 PolarHBondContact O-N 2.97Å; T503-E506 WeakPolarHBondContact OG1-CB 3.28Å; T503-E506 PolarHBondContact OG1-N 3.19Å; T503-E506 VanDerWaalsContact OG1-N 3.12Å; T503-R507 WeakPolarHBondContact O-CB 3.37Å; T503-R507 PolarHBondContact O-N 3.26Å
504	P	97.3	Very high	96.6	Very high	97 Å²	97	63.9 Å²	63.9	63%	0.63	31%	0.312	S	S	*	.	H	α-helix	trans	-56.1	-36.1	174.1	-26.2	35.9	0	0	0	113.5	R508	P504-R508 WeakPolarHBondContact O-CB 3.44Å; P504-R508 PolarHBondContact O-N 3.25Å
505	E	96.5	Very high	96.4	Very high	139 Å²	139	64 Å²	64	65%	0.65	31%	0.313	S	S	*	.	H	α-helix	trans	-68.9	-45.5	177.9	-63.4	69.2	-148.7	0	0	111.4	T503 R507 R508 G509	T503-E505 PolarHBondContact O-N 3.05Å; E505-R507 VanDerWaalsContact C-N 3.32Å; E505-R507 PolarHBondContact O-N 3.43Å; E505-R508 PolarHBondContact O-N 3.1Å; E505-G509 PolarHBondContact O-N 2.92Å
506	E	96.8	Very high	96.1	Very high	55 Å²	55	62.5 Å²	62.5	26%	0.257	31%	0.306	S	S	.	.	H	α-helix	trans	-60.5	-44.6	175.5	-177.7	-177.8	-157.2	0	0	110.5	R484 I488 T503 G509 S510	R484-E506 WeakPolarHBondContact CD-OE1 3.41Å; R484-E506 IonicContact CZ-OE1 2.68Å; R484-E506 IonicContact CZ-OE2 3.56Å; R484-E506 IonicContact NE-OE1 3.28Å; R484-E506 PolarHBondContact NE-OE1 3.25Å; R484-E506 IonicContact NE-OE2 2.7Å; R484-E506 IonicContact NH2-OE1 3.52Å; R484-E506 IonicContact NH2-OE2 3.82Å; R484-E506 PolarHBondContact NH2-OE2 2.87Å; I488-E506 VanDerWaalsContact CD1-CD 3.46Å; I488-E506 HydrophobicContact CD1-CG 3.82Å; I488-E506 WeakPolarHBondContact CD1-OE1 3.44Å; T503-E506 PolarHBondContact O-N 2.97Å; T503-E506 WeakPolarHBondContact OG1-CB 3.28Å; T503-E506 PolarHBondContact OG1-N 3.19Å; T503-E506 VanDerWaalsContact OG1-N 3.12Å; E506-G509 PolarHBondContact O-N 2.91Å; E506-S510 VanDerWaalsContact O-CB 3.3Å; E506-S510 WeakPolarHBondContact O-CB 3.34Å; E506-S510 PolarHBondContact O-N 3.38Å; E506-S510 PolarHBondContact O-OG 3.46Å
507	R	97.9	Very high	95.8	Very high	33 Å²	33	63.6 Å²	63.6	13%	0.125	31%	0.307	C	S	.	.	H	α-helix	trans	-58.6	-52.1	176.1	173.9	162.4	-64.3	-65	-1.3	111.9	I488 L491 P492 L494 I502 T503 E505 G509 S510 E511	I488-R507 HydrophobicContact CG2-CB 4.28Å; I488-R507 HydrophobicContact CG2-CG 4.49Å; I488-R507 PolarHBondContact O-NH1 2.92Å; L491-R507 PolarHBondContact O-NH1 2.9Å; L491-R507 PolarHBondContact O-NH2 3.11Å; P492-R507 PolarHBondContact O-NH1 3.32Å; L494-R507 PolarHBondContact O-NH2 3.4Å; I502-R507 HydrophobicContact CG2-CB 4.07Å; T503-R507 WeakPolarHBondContact O-CB 3.37Å; T503-R507 PolarHBondContact O-N 3.26Å; E505-R507 VanDerWaalsContact C-N 3.32Å; E505-R507 PolarHBondContact O-N 3.43Å; R507-G509 VanDerWaalsContact C-N 3.32Å; R507-G509 PolarHBondContact O-N 2.74Å; R507-S510 PolarHBondContact O-N 3.13Å; R507-E511 HydrophobicContact CG-CG 4.45Å; R507-E511 WeakPolarHBondContact CG-OE1 3.26Å; R507-E511 IonicContact NH1-OE1 3.6Å; R507-E511 PolarHBondContact NH1-OE1 3.31Å; R507-E511 WeakPolarHBondContact O-CB 3.49Å; R507-E511 VanDerWaalsContact O-CG 3.31Å; R507-E511 WeakPolarHBondContact O-CG 3.24Å; R507-E511 PolarHBondContact O-N 3.11Å
508	R	97.1	Very high	95.6	Very high	158 Å²	158	65.8 Å²	65.8	60%	0.596	32%	0.315	S	S	*	.	H	α-helix	trans	-58.8	-44.8	178.3	178.2	179.8	174.7	166.2	0.1	111.4	P504 E505 L512 Y558	P504-R508 WeakPolarHBondContact O-CB 3.44Å; P504-R508 PolarHBondContact O-N 3.25Å; E505-R508 PolarHBondContact O-N 3.1Å; R508-L512 HydrophobicContact CG-CD1 4.08Å; R508-L512 WeakPolarHBondContact O-CG 3.49Å; R508-L512 PolarHBondContact O-N 3.15Å; R508-L512 VanDerWaalsContact O-N 3.12Å; R508-Y558 HydrophobicContact CG-CE1 4.24Å
509	G	95.4	Very high	95.5	Very high	28 Å²	28	63.9 Å²	63.9	29%	0.289	31%	0.305	S	S	.	.	H	α-helix	trans	-60.8	-48	177.3	0	0	0	0	0	112.1	E505 E506 R507 E511 L512 D513	E505-G509 PolarHBondContact O-N 2.92Å; E506-G509 PolarHBondContact O-N 2.91Å; R507-G509 VanDerWaalsContact C-N 3.32Å; R507-G509 PolarHBondContact O-N 2.74Å; G509-E511 PolarHBondContact O-N 2.94Å; G509-L512 PolarHBondContact O-N 3.12Å; G509-D513 WeakPolarHBondContact O-CB 3.14Å; G509-D513 PolarHBondContact O-N 2.96Å
510	S	96.5	Very high	95.3	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.007	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-45.2	179.2	-58.7	0	0	0	0	112.5	Q485 E506 R507 D513 Y514	Q485-S510 WeakPolarHBondContact CG-OG 3.46Å; Q485-S510 WeakPolarHBondContact O-CB 3.29Å; E506-S510 VanDerWaalsContact O-CB 3.3Å; E506-S510 WeakPolarHBondContact O-CB 3.34Å; E506-S510 PolarHBondContact O-N 3.38Å; E506-S510 PolarHBondContact O-OG 3.46Å; R507-S510 PolarHBondContact O-N 3.13Å; S510-D513 PolarHBondContact O-N 3.07Å; S510-Y514 WeakPolarHBondContact O-CB 3.25Å; S510-Y514 PolarHBondContact O-N 2.87Å
511	E	97.2	Very high	95.1	Very high	3 Å²	3	55.8 Å²	55.8	1%	0.014	28%	0.283	C	S	.	.	H	α-helix	trans	-66.7	-40.2	180	-71.8	172	-173.5	0	0	112.2	A489 R507 G509 Y514 L515 L554 K557 Y558	A489-E511 HydrophobicContact CB-CG 4.39Å; R507-E511 HydrophobicContact CG-CG 4.45Å; R507-E511 WeakPolarHBondContact CG-OE1 3.26Å; R507-E511 IonicContact NH1-OE1 3.6Å; R507-E511 PolarHBondContact NH1-OE1 3.31Å; R507-E511 WeakPolarHBondContact O-CB 3.49Å; R507-E511 VanDerWaalsContact O-CG 3.31Å; R507-E511 WeakPolarHBondContact O-CG 3.24Å; R507-E511 PolarHBondContact O-N 3.11Å; G509-E511 PolarHBondContact O-N 2.94Å; E511-Y514 WeakPolarHBondContact O-CB 3.07Å; E511-Y514 PolarHBondContact O-N 2.8Å; E511-L515 PolarHBondContact O-N 2.65Å; E511-L515 VanDerWaalsContact O-N 3.11Å; E511-L554 HydrophobicContact CB-CD2 3.93Å; E511-L554 HydrophobicContact CG-CD2 3.79Å; E511-K557 IonicContact OE1-NZ 3.9Å; E511-K557 IonicContact OE2-NZ 2.87Å; E511-K557 PolarHBondContact OE2-NZ 3.39Å; E511-Y558 HydrophobicContact CB-CE2 3.7Å; E511-Y558 WeakPolarHBondContact OE2-CE2 3.42Å; E511-Y558 PolarHBondContact OE2-OH 2.64Å
512	L	94.2	Very high	94.9	Very high	53 Å²	53	50.6 Å²	50.6	28%	0.277	26%	0.257	S	S	.	.	H	α-helix	trans	-68.3	-41.8	175.1	-71.5	172.6	0	0	0	112.2	R508 G509 Y514 L515 K516 Y558	R508-L512 HydrophobicContact CG-CD1 4.08Å; R508-L512 WeakPolarHBondContact O-CG 3.49Å; R508-L512 PolarHBondContact O-N 3.15Å; R508-L512 VanDerWaalsContact O-N 3.12Å; G509-L512 PolarHBondContact O-N 3.12Å; L512-Y514 VanDerWaalsContact C-N 3.28Å; L512-Y514 PolarHBondContact O-N 3.05Å; L512-L515 PolarHBondContact O-N 2.82Å; L512-K516 WeakPolarHBondContact O-CG 3.37Å; L512-K516 PolarHBondContact O-N 3.11Å; L512-Y558 HydrophobicContact CD2-CD1 3.84Å; L512-Y558 HydrophobicContact CD2-CD2 4.33Å; L512-Y558 HydrophobicContact CD2-CE1 4.43Å; L512-Y558 HydrophobicContact CD2-CG 3.79Å; L512-Y558 HydrophobicContact CG-CD1 4.46Å
513	D	92.5	Very high	94.5	Very high	49 Å²	49	51.5 Å²	51.5	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-65.5	-34.7	177.2	-76.3	-13.8	0	0	0	111.4	G509 S510 K516 R517	G509-D513 WeakPolarHBondContact O-CB 3.14Å; G509-D513 PolarHBondContact O-N 2.96Å; S510-D513 PolarHBondContact O-N 3.07Å; D513-K516 PolarHBondContact O-N 2.99Å; D513-R517 VanDerWaalsContact O-CB 3.24Å; D513-R517 WeakPolarHBondContact O-CB 3.49Å; D513-R517 PolarHBondContact O-N 3.36Å
514	Y	95	Very high	94.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-47.3	172.2	-171.8	-87.7	0	0	0	112.4	E486 A489 R490 S510 E511 L512 K516 R517 Y518 H548 V550 F551 L554	E486-Y514 WeakPolarHBondContact OE1-CE2 3.39Å; E486-Y514 WeakPolarHBondContact OE2-CD2 3.48Å; A489-Y514 HydrophobicContact CB-CD2 3.62Å; A489-Y514 HydrophobicContact CB-CE2 4.4Å; A489-Y514 HydrophobicContact CB-CG 3.68Å; R490-Y514 HydrophobicContact CG-CE2 3.79Å; S510-Y514 WeakPolarHBondContact O-CB 3.25Å; S510-Y514 PolarHBondContact O-N 2.87Å; E511-Y514 WeakPolarHBondContact O-CB 3.07Å; E511-Y514 PolarHBondContact O-N 2.8Å; L512-Y514 VanDerWaalsContact C-N 3.28Å; L512-Y514 PolarHBondContact O-N 3.05Å; Y514-K516 VanDerWaalsContact C-N 3.34Å; Y514-K516 PolarHBondContact O-N 3.1Å; Y514-R517 PolarHBondContact O-N 3.43Å; Y514-Y518 HydrophobicContact CD1-CD2 4Å; Y514-Y518 AromaticContact CD2-CD2 3.9Å; Y514-Y518 HydrophobicContact CD2-CD2 3.9Å; Y514-Y518 AromaticContact CD2-CE2 3.67Å; Y514-Y518 HydrophobicContact CD2-CE2 3.67Å; Y514-Y518 AromaticContact CE1-CD2 3.9Å; Y514-Y518 HydrophobicContact CE1-CD2 3.9Å; Y514-Y518 HydrophobicContact CE1-CE2 4.44Å; Y514-Y518 AromaticContact CE2-CD2 3.82Å; Y514-Y518 HydrophobicContact CE2-CD2 3.82Å; Y514-Y518 AromaticContact CE2-CE2 3.52Å; Y514-Y518 HydrophobicContact CE2-CE2 3.52Å; Y514-Y518 HydrophobicContact CG-CD2 4.01Å; Y514-Y518 HydrophobicContact CG-CE2 4.24Å; Y514-Y518 AromaticContact CZ-CD2 3.82Å; Y514-Y518 AromaticContact CZ-CE2 3.93Å; Y514-Y518 WeakPolarHBondContact O-CD2 3.22Å; Y514-Y518 PolarHBondContact O-N 3.4Å; Y514-H548 AromaticContact CZ-ND1 3.52Å; Y514-H548 PolarHBondContact OH-ND1 3.36Å; Y514-V550 HydrophobicContact CE1-CG2 3.92Å; Y514-F551 HydrophobicContact CD1-CD2 4.26Å; Y514-F551 AromaticContact CE1-CD2 3.95Å; Y514-F551 HydrophobicContact CE1-CD2 3.95Å; Y514-L554 HydrophobicContact CD1-CD1 3.77Å; Y514-L554 HydrophobicContact CE1-CD1 4.3Å; Y514-L554 HydrophobicContact CG-CD1 4.45Å
515	L	94.6	Very high	93.6	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-44.2	175.5	-77	175	0	0	0	111.8	E511 L512 G519 F551 L554 Y558	E511-L515 PolarHBondContact O-N 2.65Å; E511-L515 VanDerWaalsContact O-N 3.11Å; L512-L515 PolarHBondContact O-N 2.82Å; L515-G519 WeakPolarHBondContact O-CA 3.37Å; L515-G519 PolarHBondContact O-N 3Å; L515-F551 HydrophobicContact CD2-CD1 4.49Å; L515-F551 HydrophobicContact CD2-CD2 4.19Å; L515-F551 HydrophobicContact CD2-CE1 4.16Å; L515-F551 HydrophobicContact CD2-CE2 3.83Å; L515-F551 HydrophobicContact CD2-CZ 3.81Å; L515-L554 HydrophobicContact CD1-CB 4.1Å; L515-L554 HydrophobicContact CD2-CB 3.72Å; L515-L554 HydrophobicContact CG-CB 3.97Å; L515-Y558 HydrophobicContact CD1-CD2 4.04Å; L515-Y558 HydrophobicContact CD1-CG 4.34Å
516	K	91.7	Very high	93.1	Very high	92 Å²	92	43.6 Å²	43.6	40%	0.4	22%	0.219	S	C	.	.	H	α-helix	trans	-63.6	-42.6	176.7	-69.8	172.6	-174.1	169.4	0	112.2	L512 D513 Y514 E565	L512-K516 WeakPolarHBondContact O-CG 3.37Å; L512-K516 PolarHBondContact O-N 3.11Å; D513-K516 PolarHBondContact O-N 2.99Å; Y514-K516 VanDerWaalsContact C-N 3.34Å; Y514-K516 PolarHBondContact O-N 3.1Å; K516-E565 HydrophobicContact CG-CB 4.47Å
517	R	90.5	Very high	92.4	Very high	88 Å²	88	46.5 Å²	46.5	33%	0.332	23%	0.228	S	C	.	.	H	α-helix	trans	-64.1	-43.3	-177.2	-172.4	178.1	-59.4	127	9.4	112.5	E486 D513 Y514	E486-R517 IonicContact OE2-CZ 3.85Å; E486-R517 IonicContact OE2-NH1 2.72Å; E486-R517 PolarHBondContact OE2-NH1 3.34Å; D513-R517 VanDerWaalsContact O-CB 3.24Å; D513-R517 WeakPolarHBondContact O-CB 3.49Å; D513-R517 PolarHBondContact O-N 3.36Å; Y514-R517 PolarHBondContact O-N 3.43Å
518	Y	93.8	Very high	91.1	Very high	47 Å²	47	47.2 Å²	47.2	18%	0.184	24%	0.238	C	C	.	.	H	α-helix	trans	-102	-6.6	-176.7	-60.2	-66.7	0	0	0	114.1	E486 Y514 A520 S521 W522 H548	E486-Y518 VanDerWaalsContact OE1-CE2 3.32Å; E486-Y518 WeakPolarHBondContact OE1-CE2 3.42Å; E486-Y518 PolarHBondContact OE1-OH 3.36Å; E486-Y518 WeakPolarHBondContact OE2-CE2 3.42Å; E486-Y518 PolarHBondContact OE2-OH 3.18Å; Y514-Y518 HydrophobicContact CD1-CD2 4Å; Y514-Y518 AromaticContact CD2-CD2 3.9Å; Y514-Y518 HydrophobicContact CD2-CD2 3.9Å; Y514-Y518 AromaticContact CD2-CE2 3.67Å; Y514-Y518 HydrophobicContact CD2-CE2 3.67Å; Y514-Y518 AromaticContact CE1-CD2 3.9Å; Y514-Y518 HydrophobicContact CE1-CD2 3.9Å; Y514-Y518 HydrophobicContact CE1-CE2 4.44Å; Y514-Y518 AromaticContact CE2-CD2 3.82Å; Y514-Y518 HydrophobicContact CE2-CD2 3.82Å; Y514-Y518 AromaticContact CE2-CE2 3.52Å; Y514-Y518 HydrophobicContact CE2-CE2 3.52Å; Y514-Y518 HydrophobicContact CG-CD2 4.01Å; Y514-Y518 HydrophobicContact CG-CE2 4.24Å; Y514-Y518 AromaticContact CZ-CD2 3.82Å; Y514-Y518 AromaticContact CZ-CE2 3.93Å; Y514-Y518 WeakPolarHBondContact O-CD2 3.22Å; Y514-Y518 PolarHBondContact O-N 3.4Å; Y518-A520 VanDerWaalsContact C-N 3.35Å; Y518-A520 PolarHBondContact O-N 3.45Å; Y518-S521 WeakPolarHBondContact O-CB 3.47Å; Y518-S521 PolarHBondContact O-N 3.32Å; Y518-S521 VanDerWaalsContact O-N 3.1Å; Y518-W522 PolarHBondContact O-N 3.04Å; Y518-H548 AromaticContact CD1-CE1 3.29Å; Y518-H548 WeakPolarHBondContact CD1-CE1 3.22Å; Y518-H548 AromaticContact CD1-NE2 3.6Å; Y518-H548 AromaticContact CD2-CE1 3.7Å; Y518-H548 AromaticContact CD2-ND1 3.78Å; Y518-H548 AromaticContact CE1-CE1 3.28Å; Y518-H548 WeakPolarHBondContact CE1-CE1 2.98Å; Y518-H548 AromaticContact CE1-NE2 3.82Å; Y518-H548 AromaticContact CE2-CE1 3.68Å; Y518-H548 AromaticContact CE2-ND1 3.97Å; Y518-H548 AromaticContact CG-CE1 3.51Å; Y518-H548 AromaticContact CG-ND1 3.84Å; Y518-H548 AromaticContact CZ-CE1 3.48Å; Y518-H548 VanDerWaalsContact CZ-CE1 3.48Å
519	G	93.2	Very high	89.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-38.3	-177.5	0	0	0	0	0	114.3	L515 S521 W522 L523	L515-G519 WeakPolarHBondContact O-CA 3.37Å; L515-G519 PolarHBondContact O-N 3Å; G519-S521 PolarHBondContact O-N 2.86Å; G519-W522 PolarHBondContact O-N 3.36Å; G519-L523 WeakPolarHBondContact O-CB 3.35Å; G519-L523 VanDerWaalsContact O-CG 3.28Å; G519-L523 WeakPolarHBondContact O-CG 3.45Å; G519-L523 PolarHBondContact O-N 3.42Å
520	A	90.7	Very high	87.9	Confident	38 Å²	38	49.8 Å²	49.8	31%	0.314	25%	0.251	S	S	.	.	H	α-helix	trans	-62.5	-42.9	175.5	0	0	0	0	0	111.8	Y518 N524 T566	Y518-A520 VanDerWaalsContact C-N 3.35Å; Y518-A520 PolarHBondContact O-N 3.45Å; A520-N524 WeakPolarHBondContact O-CB 3.4Å; A520-N524 PolarHBondContact O-N 2.76Å; A520-N524 VanDerWaalsContact O-N 3.1Å; A520-N524 PolarHBondContact O-ND2 3.34Å; A520-T566 HydrophobicContact CB-CG2 4.42Å
521	S	91.8	Very high	86.1	Confident	59 Å²	59	56.7 Å²	56.7	41%	0.413	29%	0.288	S	S	.	.	H	α-helix	trans	-65.3	-43.6	177.4	-171.2	0	0	0	0	111.1	Y518 G519 N524 C525	Y518-S521 WeakPolarHBondContact O-CB 3.47Å; Y518-S521 PolarHBondContact O-N 3.32Å; Y518-S521 VanDerWaalsContact O-N 3.1Å; G519-S521 PolarHBondContact O-N 2.86Å; S521-N524 PolarHBondContact O-N 3.35Å; S521-C525 PolarHBondContact O-N 3.05Å; S521-C525 VanDerWaalsContact O-N 3.09Å; S521-C525 PolarHBondContact O-SG 3.24Å; S521-C525 VanDerWaalsContact O-SG 3.36Å
522	W	94	Very high	83.9	Confident	36 Å²	36	58.3 Å²	58.3	14%	0.136	30%	0.3	C	S	.	.	H	α-helix	trans	-62.1	-48.5	177.2	-179.8	76	0	0	0	112.3	Y518 G519 N524 C525 C526 F544 Y545 F551 A560 P561	Y518-W522 PolarHBondContact O-N 3.04Å; G519-W522 PolarHBondContact O-N 3.36Å; W522-N524 VanDerWaalsContact C-N 3.25Å; W522-N524 PolarHBondContact O-N 2.86Å; W522-C525 WeakPolarHBondContact O-CB 3.43Å; W522-C525 PolarHBondContact O-N 2.95Å; W522-C525 VanDerWaalsContact O-N 3.09Å; W522-C526 VanDerWaalsContact CE2-SG 3.55Å; W522-C526 PolarHBondContact O-N 2.69Å; W522-C526 PolarHBondContact O-SG 3.02Å; W522-C526 VanDerWaalsContact O-SG 3.34Å; W522-F544 HydrophobicContact CB-CE1 3.91Å; W522-F544 HydrophobicContact CB-CE2 3.95Å; W522-F544 HydrophobicContact CB-CZ 3.58Å; W522-F544 AromaticContact CD1-CD1 3.7Å; W522-F544 AromaticContact CD1-CE1 3.43Å; W522-F544 VanDerWaalsContact CD1-CE1 3.43Å; W522-F544 HydrophobicContact CG-CE1 4Å; W522-F544 HydrophobicContact CG-CZ 4.18Å; W522-Y545 AromaticContact NE1-CZ 3.76Å; W522-Y545 PolarHBondContact NE1-OH 3.01Å; W522-F551 HydrophobicContact CB-CD1 4.36Å; W522-F551 HydrophobicContact CB-CE1 3.63Å; W522-F551 HydrophobicContact CB-CZ 3.73Å; W522-F551 AromaticContact CD1-CD1 3.68Å; W522-F551 AromaticContact CD1-CE1 3.6Å; W522-F551 HydrophobicContact CD2-CD1 4.25Å; W522-F551 AromaticContact CD2-CE1 3.48Å; W522-F551 HydrophobicContact CD2-CE1 3.48Å; W522-F551 VanDerWaalsContact CD2-CE1 3.48Å; W522-F551 HydrophobicContact CD2-CZ 4.27Å; W522-F551 AromaticContact CE2-CE1 3.92Å; W522-F551 HydrophobicContact CE3-CE1 4.05Å; W522-F551 AromaticContact CG-CD1 3.84Å; W522-F551 HydrophobicContact CG-CD1 3.84Å; W522-F551 AromaticContact CG-CE1 3.26Å; W522-F551 HydrophobicContact CG-CE1 3.26Å; W522-F551 AromaticContact CG-CZ 3.91Å; W522-F551 HydrophobicContact CG-CZ 3.91Å; W522-F551 AromaticContact NE1-CD1 3.93Å; W522-F551 AromaticContact NE1-CE1 3.93Å; W522-A560 HydrophobicContact CH2-CB 3.75Å; W522-A560 HydrophobicContact CZ3-CB 3.86Å; W522-P561 HydrophobicContact CE3-CG 4.18Å; W522-P561 HydrophobicContact CZ3-CG 4.49Å
523	L	90.5	Very high	81.9	Confident	32 Å²	32	66.7 Å²	66.7	17%	0.168	33%	0.334	C	S	.	.	H	α-helix	trans	-58.2	-37.4	176.8	-74.3	172.1	0	0	0	112	G519 C526 R527 I563 T566	G519-L523 WeakPolarHBondContact O-CB 3.35Å; G519-L523 VanDerWaalsContact O-CG 3.28Å; G519-L523 WeakPolarHBondContact O-CG 3.45Å; G519-L523 PolarHBondContact O-N 3.42Å; L523-C526 PolarHBondContact O-N 3.1Å; L523-R527 VanDerWaalsContact O-CG 3.29Å; L523-R527 WeakPolarHBondContact O-CG 3.23Å; L523-R527 PolarHBondContact O-N 3.31Å; L523-I563 HydrophobicContact CD1-CG1 4.1Å; L523-T566 HydrophobicContact CD1-CG2 4.18Å
524	N	88.1	Confident	80	Confident	91 Å²	91	70.7 Å²	70.7	49%	0.487	35%	0.351	S	S	.	.	H	α-helix	trans	-66.6	-40.7	175.9	-72.2	-20.1	0	0	0	112.2	A520 S521 W522 S528	A520-N524 WeakPolarHBondContact O-CB 3.4Å; A520-N524 PolarHBondContact O-N 2.76Å; A520-N524 VanDerWaalsContact O-N 3.1Å; A520-N524 PolarHBondContact O-ND2 3.34Å; S521-N524 PolarHBondContact O-N 3.35Å; W522-N524 VanDerWaalsContact C-N 3.25Å; W522-N524 PolarHBondContact O-N 2.86Å; N524-S528 PolarHBondContact O-N 3.07Å; N524-S528 VanDerWaalsContact O-N 3.15Å; N524-S528 PolarHBondContact O-OG 2.6Å
525	C	88.6	Confident	78.3	Confident	15 Å²	15	77.8 Å²	77.8	10%	0.101	39%	0.388	C	S	.	.	H	α-helix	trans	-62	-46.4	172.9	-64.9	0	0	0	0	111	S521 W522 R527 S528 D529 L541	S521-C525 PolarHBondContact O-N 3.05Å; S521-C525 VanDerWaalsContact O-N 3.09Å; S521-C525 PolarHBondContact O-SG 3.24Å; S521-C525 VanDerWaalsContact O-SG 3.36Å; W522-C525 WeakPolarHBondContact O-CB 3.43Å; W522-C525 PolarHBondContact O-N 2.95Å; W522-C525 VanDerWaalsContact O-N 3.09Å; C525-R527 PolarHBondContact O-N 3.33Å; C525-S528 PolarHBondContact O-N 2.8Å; C525-D529 PolarHBondContact O-N 3.03Å; C525-L541 HydrophobicContact CB-CB 4.46Å; C525-L541 HydrophobicContact CB-CD1 4.06Å
526	C	85.4	Confident	77	Confident	29 Å²	29	82 Å²	82	20%	0.196	41%	0.411	C	S	.	.	H	α-helix	trans	-62.3	-40.3	178.7	-64.2	0	0	0	0	113.4	W522 L523 S528 D529 Q530	W522-C526 VanDerWaalsContact CE2-SG 3.55Å; W522-C526 PolarHBondContact O-N 2.69Å; W522-C526 PolarHBondContact O-SG 3.02Å; W522-C526 VanDerWaalsContact O-SG 3.34Å; L523-C526 PolarHBondContact O-N 3.1Å; C526-S528 VanDerWaalsContact C-N 3.34Å; C526-D529 PolarHBondContact O-N 3.35Å; C526-Q530 PolarHBondContact O-N 3.11Å
527	R	81.5	Confident	75.9	Confident	116 Å²	116	77.7 Å²	77.7	44%	0.438	39%	0.392	S	S	.	.	H	α-helix	trans	-66.2	-36	176.7	-74.2	172.7	-178.7	-177.6	0.9	112.7	L523 C525 D529 Q530 N531	L523-R527 VanDerWaalsContact O-CG 3.29Å; L523-R527 WeakPolarHBondContact O-CG 3.23Å; L523-R527 PolarHBondContact O-N 3.31Å; C525-R527 PolarHBondContact O-N 3.33Å; R527-D529 VanDerWaalsContact C-N 3.27Å; R527-D529 PolarHBondContact O-N 3.38Å; R527-Q530 PolarHBondContact O-N 3.28Å; R527-N531 PolarHBondContact O-N 3.41Å; R527-N531 VanDerWaalsContact O-N 3.12Å
528	S	71.6	Confident	75.3	Confident	48 Å²	48	77 Å²	77	34%	0.336	40%	0.4	S	S	.	.	H	α-helix	trans	-67.5	-32.6	178.7	-57.6	0	0	0	0	111.6	N524 C525 C526 S532	N524-S528 PolarHBondContact O-N 3.07Å; N524-S528 VanDerWaalsContact O-N 3.15Å; N524-S528 PolarHBondContact O-OG 2.6Å; C525-S528 PolarHBondContact O-N 2.8Å; C526-S528 VanDerWaalsContact C-N 3.34Å; S528-S532 PolarHBondContact O-N 2.86Å; S528-S532 PolarHBondContact O-OG 2.71Å
529	D	62	Low	75	Confident	73 Å²	73	80.1 Å²	80.1	39%	0.39	42%	0.415	S	S	.	.	H	α-helix	trans	-69.6	-34.9	174.2	-156.6	37.6	0	0	0	112.7	C525 C526 R527 S538	C525-D529 PolarHBondContact O-N 3.03Å; C526-D529 PolarHBondContact O-N 3.35Å; R527-D529 VanDerWaalsContact C-N 3.27Å; R527-D529 PolarHBondContact O-N 3.38Å; D529-S538 PolarHBondContact OD1-N 3.35Å
530	Q	62.4	Low	74.8	Confident	167 Å²	167	83.6 Å²	83.6	78%	0.78	43%	0.433	S	S	*	.	H	α-helix	trans	-76.4	-34.5	177.8	-69.1	-178.5	-2.1	0	0	113.9	C526 R527	C526-Q530 PolarHBondContact O-N 3.11Å; R527-Q530 PolarHBondContact O-N 3.28Å
531	N	58.8	Low	74.7	Confident	147 Å²	147	83.2 Å²	83.2	79%	0.786	43%	0.426	S	S	*	.	H	α-helix	trans	-89.5	-12.7	-173.6	-77	-23.6	0	0	0	114.5	R527	R527-N531 PolarHBondContact O-N 3.41Å; R527-N531 VanDerWaalsContact O-N 3.12Å
532	S	50.8	Low	74.7	Confident	37 Å²	37	85.2 Å²	85.2	26%	0.259	43%	0.428	S	S	.	.			trans	-118.7	116.5	-177.7	68	0	0	0	0	111	S528 Q534	S528-S532 PolarHBondContact O-N 2.86Å; S528-S532 PolarHBondContact O-OG 2.71Å; S532-Q534 PolarHBondContact O-N 3.31Å; S532-Q534 PolarHBondContact OG-O 3.39Å
533	K	52.8	Low	74.6	Confident	228 Å²	228	87.7 Å²	87.7	99%	0.991	44%	0.441	S	S	*	.	S	Bend	trans	-66.5	28.6	159.1	-74.3	-175.3	174.6	179.7	0	111.6
534	Q	51.4	Low	74.8	Confident	133 Å²	133	86.4 Å²	86.4	62%	0.621	44%	0.435	S	S	*	.	S	Bend	trans	-123.6	139.8	-174.9	-73.7	-175.5	-12.6	0	0	110	S532 N536 G537	S532-Q534 PolarHBondContact O-N 3.31Å; S532-Q534 PolarHBondContact OG-O 3.39Å; Q534-N536 PolarHBondContact O-N 3.24Å; Q534-G537 PolarHBondContact O-N 3.08Å
535	I	61	Low	75.1	Confident	149 Å²	149	85.6 Å²	85.6	76%	0.764	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.2	-17.9	177.9	-66.6	158.3	0	0	0	114.6	K539	I535-K539 PolarHBondContact O-N 3.49Å
536	N	67.1	Low	75.3	Confident	98 Å²	98	90.9 Å²	90.9	52%	0.524	45%	0.447	S	S	.	.	H	α-helix	trans	-69.5	-35.2	-176.5	-68.5	-11.2	0	0	0	114.1	Q534 K539 L540	Q534-N536 PolarHBondContact O-N 3.24Å; N536-K539 PolarHBondContact O-N 3.34Å; N536-L540 WeakPolarHBondContact O-CG 3.43Å; N536-L540 PolarHBondContact O-N 3.12Å
537	G	68.4	Low	75.7	Confident	1 Å²	1	94.7 Å²	94.7	1%	0.01	46%	0.464	C	S	.	.	H	α-helix	trans	-65.6	-51.9	-178.4	0	0	0	0	0	112.9	Q534 K539 L540 L541	Q534-G537 PolarHBondContact O-N 3.08Å; G537-K539 VanDerWaalsContact C-N 3.27Å; G537-K539 PolarHBondContact O-N 3.14Å; G537-L540 PolarHBondContact O-N 2.83Å; G537-L541 PolarHBondContact O-N 3.11Å; G537-L541 VanDerWaalsContact O-N 3.09Å
538	S	78.1	Confident	76.3	Confident	72 Å²	72	89.9 Å²	89.9	50%	0.503	45%	0.447	S	S	.	.	H	α-helix	trans	-57.2	-40.1	175.3	176.6	0	0	0	0	112	D529 L541 E542	D529-S538 PolarHBondContact OD1-N 3.35Å; S538-L541 PolarHBondContact O-N 2.86Å; S538-E542 WeakPolarHBondContact O-CB 3.22Å; S538-E542 PolarHBondContact O-N 3.04Å
539	K	85.9	Confident	77.4	Confident	114 Å²	114	90.3 Å²	90.3	50%	0.496	45%	0.448	S	S	.	.	H	α-helix	trans	-64.1	-43	176.8	-171	179.6	177.1	-172.9	0	112.8	I535 N536 G537 L541 E542 E543	I535-K539 PolarHBondContact O-N 3.49Å; N536-K539 PolarHBondContact O-N 3.34Å; G537-K539 VanDerWaalsContact C-N 3.27Å; G537-K539 PolarHBondContact O-N 3.14Å; K539-L541 VanDerWaalsContact C-N 3.33Å; K539-L541 PolarHBondContact O-N 3.38Å; K539-E542 PolarHBondContact O-N 3.44Å; K539-E543 VanDerWaalsContact CE-OE1 3.23Å; K539-E543 WeakPolarHBondContact CE-OE1 3.19Å; K539-E543 WeakPolarHBondContact O-CB 3.39Å; K539-E543 WeakPolarHBondContact O-CG 3.1Å; K539-E543 PolarHBondContact O-N 2.93Å
540	L	88.9	Confident	79	Confident	73 Å²	73	87.2 Å²	87.2	38%	0.382	43%	0.432	S	S	.	.	H	α-helix	trans	-64.8	-38.1	177.5	-72.4	171.4	0	0	0	112.3	N536 G537 F544	N536-L540 WeakPolarHBondContact O-CG 3.43Å; N536-L540 PolarHBondContact O-N 3.12Å; G537-L540 PolarHBondContact O-N 2.83Å; L540-F544 WeakPolarHBondContact O-CB 3.32Å; L540-F544 PolarHBondContact O-N 3.21Å
541	L	89.8	Confident	80.6	Confident	30 Å²	30	79.3 Å²	79.3	16%	0.157	40%	0.395	C	S	.	.	H	α-helix	trans	-69.8	-38.5	176.4	-172.1	61.9	0	0	0	111.4	C525 G537 S538 K539 F544 Y545	C525-L541 HydrophobicContact CB-CB 4.46Å; C525-L541 HydrophobicContact CB-CD1 4.06Å; G537-L541 PolarHBondContact O-N 3.11Å; G537-L541 VanDerWaalsContact O-N 3.09Å; S538-L541 PolarHBondContact O-N 2.86Å; K539-L541 VanDerWaalsContact C-N 3.33Å; K539-L541 PolarHBondContact O-N 3.38Å; L541-F544 WeakPolarHBondContact O-CB 3.22Å; L541-F544 PolarHBondContact O-N 3.3Å; L541-Y545 HydrophobicContact CD1-CD2 4.23Å; L541-Y545 HydrophobicContact CD1-CE2 3.61Å; L541-Y545 HydrophobicContact CD2-CE2 4.04Å; L541-Y545 HydrophobicContact CG-CD2 3.98Å; L541-Y545 HydrophobicContact CG-CE2 3.53Å; L541-Y545 WeakPolarHBondContact O-CD2 3.22Å; L541-Y545 PolarHBondContact O-N 2.89Å
542	E	91.1	Very high	82.3	Confident	101 Å²	101	74.8 Å²	74.8	47%	0.472	38%	0.375	S	S	.	.	H	α-helix	trans	-62.9	-44.2	173	-165.5	-165.9	149.2	0	0	111.8	S538 K539 F544 Y545 K546	S538-E542 WeakPolarHBondContact O-CB 3.22Å; S538-E542 PolarHBondContact O-N 3.04Å; K539-E542 PolarHBondContact O-N 3.44Å; E542-F544 VanDerWaalsContact C-N 3.33Å; E542-F544 PolarHBondContact O-N 2.83Å; E542-Y545 PolarHBondContact O-N 3.41Å; E542-K546 WeakPolarHBondContact O-CG 3.46Å; E542-K546 PolarHBondContact O-N 3.17Å; E542-K546 VanDerWaalsContact OE1-CE 3.23Å; E542-K546 WeakPolarHBondContact OE1-CE 3.4Å; E542-K546 IonicContact OE1-NZ 3.57Å; E542-K546 PolarHBondContact OE1-NZ 3.42Å
543	E	92.3	Very high	84.5	Confident	87 Å²	87	79.8 Å²	79.8	41%	0.407	39%	0.388	S	S	.	.	H	α-helix	trans	-61.4	-40.9	174.5	-75.2	173	-175.2	0	0	111.8	K539 K546 L547	K539-E543 VanDerWaalsContact CE-OE1 3.23Å; K539-E543 WeakPolarHBondContact CE-OE1 3.19Å; K539-E543 WeakPolarHBondContact O-CB 3.39Å; K539-E543 WeakPolarHBondContact O-CG 3.1Å; K539-E543 PolarHBondContact O-N 2.93Å; E543-K546 PolarHBondContact O-N 2.82Å; E543-L547 PolarHBondContact O-N 3.44Å
544	F	94.9	Very high	86.6	Confident	6 Å²	6	69.2 Å²	69.2	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-60.1	-46.9	174.2	180	-87.7	0	0	0	111.6	W522 L540 L541 E542 K546 L547 H548 F551	W522-F544 HydrophobicContact CB-CE1 3.91Å; W522-F544 HydrophobicContact CB-CE2 3.95Å; W522-F544 HydrophobicContact CB-CZ 3.58Å; W522-F544 AromaticContact CD1-CD1 3.7Å; W522-F544 AromaticContact CD1-CE1 3.43Å; W522-F544 VanDerWaalsContact CD1-CE1 3.43Å; W522-F544 HydrophobicContact CG-CE1 4Å; W522-F544 HydrophobicContact CG-CZ 4.18Å; L540-F544 WeakPolarHBondContact O-CB 3.32Å; L540-F544 PolarHBondContact O-N 3.21Å; L541-F544 WeakPolarHBondContact O-CB 3.22Å; L541-F544 PolarHBondContact O-N 3.3Å; E542-F544 VanDerWaalsContact C-N 3.33Å; E542-F544 PolarHBondContact O-N 2.83Å; F544-K546 VanDerWaalsContact C-N 3.3Å; F544-K546 PolarHBondContact O-N 2.82Å; F544-L547 PolarHBondContact O-N 3.36Å; F544-L547 VanDerWaalsContact O-N 3.16Å; F544-H548 HydrophobicContact CD1-CB 4.48Å; F544-H548 AromaticContact CD2-CD2 3.96Å; F544-H548 HydrophobicContact CE1-CB 3.95Å; F544-H548 AromaticContact CE2-CD2 3.64Å; F544-H548 HydrophobicContact CZ-CB 4.03Å; F544-H548 AromaticContact CZ-CD2 3.88Å; F544-H548 PolarHBondContact O-N 2.71Å; F544-F551 HydrophobicContact CE1-CB 3.81Å; F544-F551 AromaticContact CE1-CD1 3.76Å; F544-F551 HydrophobicContact CE1-CD1 3.76Å; F544-F551 AromaticContact CE1-CD2 3.98Å; F544-F551 HydrophobicContact CE1-CD2 3.98Å; F544-F551 HydrophobicContact CE1-CE1 4.33Å; F544-F551 AromaticContact CE1-CG 3.57Å; F544-F551 HydrophobicContact CE1-CG 3.57Å; F544-F551 HydrophobicContact CZ-CB 4.38Å; F544-F551 HydrophobicContact CZ-CD1 4.15Å; F544-F551 AromaticContact CZ-CD2 3.72Å; F544-F551 HydrophobicContact CZ-CD2 3.72Å; F544-F551 HydrophobicContact CZ-CE1 4.39Å; F544-F551 AromaticContact CZ-CE2 4Å; F544-F551 HydrophobicContact CZ-CE2 4Å; F544-F551 AromaticContact CZ-CG 3.82Å; F544-F551 HydrophobicContact CZ-CG 3.82Å; F544-F551 HydrophobicContact CZ-CZ 4.32Å
545	Y	94.5	Very high	88.7	Confident	73 Å²	73	63.7 Å²	63.7	29%	0.286	32%	0.318	S	S	.	.	H	α-helix	trans	-70.3	-23.8	179.4	-71	-50.3	0	0	0	113.7	W522 L541 E542 H548 P549	W522-Y545 AromaticContact NE1-CZ 3.76Å; W522-Y545 PolarHBondContact NE1-OH 3.01Å; L541-Y545 HydrophobicContact CD1-CD2 4.23Å; L541-Y545 HydrophobicContact CD1-CE2 3.61Å; L541-Y545 HydrophobicContact CD2-CE2 4.04Å; L541-Y545 HydrophobicContact CG-CD2 3.98Å; L541-Y545 HydrophobicContact CG-CE2 3.53Å; L541-Y545 WeakPolarHBondContact O-CD2 3.22Å; L541-Y545 PolarHBondContact O-N 2.89Å; E542-Y545 PolarHBondContact O-N 3.41Å; Y545-H548 CarbonylContact O-C 3.55Å; Y545-P549 WeakPolarHBondContact O-CA 3.36Å; Y545-P549 VanDerWaalsContact O-N 3.15Å
546	K	92.2	Very high	90.3	Very high	127 Å²	127	62.9 Å²	62.9	55%	0.552	32%	0.316	S	S	*	.	H	α-helix	trans	-66.2	-40.3	168.6	-74.8	173.1	-176.3	164.3	0	111.8	E542 E543 F544	E542-K546 WeakPolarHBondContact O-CG 3.46Å; E542-K546 PolarHBondContact O-N 3.17Å; E542-K546 VanDerWaalsContact OE1-CE 3.23Å; E542-K546 WeakPolarHBondContact OE1-CE 3.4Å; E542-K546 IonicContact OE1-NZ 3.57Å; E542-K546 PolarHBondContact OE1-NZ 3.42Å; E543-K546 PolarHBondContact O-N 2.82Å; F544-K546 VanDerWaalsContact C-N 3.3Å; F544-K546 PolarHBondContact O-N 2.82Å
547	L	93.2	Very high	91.7	Very high	108 Å²	108	63.8 Å²	63.8	57%	0.565	32%	0.315	S	S	*	.	H	α-helix	trans	-77.1	-32.5	178.4	-67.3	172.7	0	0	0	113	N455 R490 E543 F544 P549	N455-L547 PolarHBondContact ND2-O 3.4Å; N455-L547 VanDerWaalsContact ND2-O 3.12Å; R490-L547 PolarHBondContact NH1-O 2.89Å; E543-L547 PolarHBondContact O-N 3.44Å; F544-L547 PolarHBondContact O-N 3.36Å; F544-L547 VanDerWaalsContact O-N 3.16Å; L547-P549 VanDerWaalsContact C-CD 3.47Å
548	H	95.3	Very high	92.9	Very high	16 Å²	16	67.2 Å²	67.2	7%	0.074	33%	0.328	C	S	.	.			trans	-129.6	64.3	-174.7	-57.8	-79.3	0	0	0	111.9	R490 Y514 Y518 F544 Y545 V550 F551	R490-H548 PolarHBondContact NH2-CE1 3.41Å; R490-H548 VanDerWaalsContact NH2-CE1 3.34Å; R490-H548 PolarHBondContact NH2-ND1 2.86Å; Y514-H548 AromaticContact CZ-ND1 3.52Å; Y514-H548 PolarHBondContact OH-ND1 3.36Å; Y518-H548 AromaticContact CD1-CE1 3.29Å; Y518-H548 WeakPolarHBondContact CD1-CE1 3.22Å; Y518-H548 AromaticContact CD1-NE2 3.6Å; Y518-H548 AromaticContact CD2-CE1 3.7Å; Y518-H548 AromaticContact CD2-ND1 3.78Å; Y518-H548 AromaticContact CE1-CE1 3.28Å; Y518-H548 WeakPolarHBondContact CE1-CE1 2.98Å; Y518-H548 AromaticContact CE1-NE2 3.82Å; Y518-H548 AromaticContact CE2-CE1 3.68Å; Y518-H548 AromaticContact CE2-ND1 3.97Å; Y518-H548 AromaticContact CG-CE1 3.51Å; Y518-H548 AromaticContact CG-ND1 3.84Å; Y518-H548 AromaticContact CZ-CE1 3.48Å; Y518-H548 VanDerWaalsContact CZ-CE1 3.48Å; F544-H548 HydrophobicContact CD1-CB 4.48Å; F544-H548 AromaticContact CD2-CD2 3.96Å; F544-H548 HydrophobicContact CE1-CB 3.95Å; F544-H548 AromaticContact CE2-CD2 3.64Å; F544-H548 HydrophobicContact CZ-CB 4.03Å; F544-H548 AromaticContact CZ-CD2 3.88Å; F544-H548 PolarHBondContact O-N 2.71Å; Y545-H548 CarbonylContact O-C 3.55Å; H548-V550 PolarHBondContact O-N 3.36Å; H548-V550 VanDerWaalsContact O-N 3.13Å; H548-F551 HydrophobicContact CB-CB 4Å; H548-F551 VanDerWaalsContact O-CB 3.28Å; H548-F551 WeakPolarHBondContact O-CB 3.43Å; H548-F551 PolarHBondContact O-N 3.08Å
549	P	94.7	Very high	93.6	Very high	57 Å²	57	65.7 Å²	65.7	37%	0.37	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.3	-173.3	23.9	-35.5	0	0	0	114.1	N455 L458 Y545 L547	N455-P549 HydrophobicContact CB-CG 4.17Å; L458-P549 HydrophobicContact CD1-CB 4.11Å; L458-P549 HydrophobicContact CD1-CG 3.44Å; L458-P549 VanDerWaalsContact CD1-CG 3.44Å; Y545-P549 WeakPolarHBondContact O-CA 3.36Å; Y545-P549 VanDerWaalsContact O-N 3.15Å; L547-P549 VanDerWaalsContact C-CD 3.47Å
550	V	95.9	Very high	93.8	Very high	8 Å²	8	62.9 Å²	62.9	5%	0.048	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-13.7	178	-64.3	0	0	0	0	113.9	L458 R490 Y514 H548 S552 R553 L554	L458-V550 HydrophobicContact CD1-CG1 3.9Å; L458-V550 HydrophobicContact CD2-CG1 3.86Å; R490-V550 WeakPolarHBondContact O-CG1 3.31Å; Y514-V550 HydrophobicContact CE1-CG2 3.92Å; H548-V550 PolarHBondContact O-N 3.36Å; H548-V550 VanDerWaalsContact O-N 3.13Å; V550-S552 PolarHBondContact O-N 2.79Å; V550-R553 PolarHBondContact O-N 3.29Å; V550-R553 VanDerWaalsContact O-N 3.17Å; V550-L554 HydrophobicContact CG2-CD1 4.14Å; V550-L554 WeakPolarHBondContact O-CG 3.4Å; V550-L554 PolarHBondContact O-N 3.09Å
551	F	96.4	Very high	93.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.8	-44.9	-166.5	-163.4	-84.9	0	0	0	112.7	Y514 L515 W522 F544 H548 R553 L554 C555 P561	Y514-F551 HydrophobicContact CD1-CD2 4.26Å; Y514-F551 AromaticContact CE1-CD2 3.95Å; Y514-F551 HydrophobicContact CE1-CD2 3.95Å; L515-F551 HydrophobicContact CD2-CD1 4.49Å; L515-F551 HydrophobicContact CD2-CD2 4.19Å; L515-F551 HydrophobicContact CD2-CE1 4.16Å; L515-F551 HydrophobicContact CD2-CE2 3.83Å; L515-F551 HydrophobicContact CD2-CZ 3.81Å; W522-F551 HydrophobicContact CB-CD1 4.36Å; W522-F551 HydrophobicContact CB-CE1 3.63Å; W522-F551 HydrophobicContact CB-CZ 3.73Å; W522-F551 AromaticContact CD1-CD1 3.68Å; W522-F551 AromaticContact CD1-CE1 3.6Å; W522-F551 HydrophobicContact CD2-CD1 4.25Å; W522-F551 AromaticContact CD2-CE1 3.48Å; W522-F551 HydrophobicContact CD2-CE1 3.48Å; W522-F551 VanDerWaalsContact CD2-CE1 3.48Å; W522-F551 HydrophobicContact CD2-CZ 4.27Å; W522-F551 AromaticContact CE2-CE1 3.92Å; W522-F551 HydrophobicContact CE3-CE1 4.05Å; W522-F551 AromaticContact CG-CD1 3.84Å; W522-F551 HydrophobicContact CG-CD1 3.84Å; W522-F551 AromaticContact CG-CE1 3.26Å; W522-F551 HydrophobicContact CG-CE1 3.26Å; W522-F551 AromaticContact CG-CZ 3.91Å; W522-F551 HydrophobicContact CG-CZ 3.91Å; W522-F551 AromaticContact NE1-CD1 3.93Å; W522-F551 AromaticContact NE1-CE1 3.93Å; F544-F551 HydrophobicContact CE1-CB 3.81Å; F544-F551 AromaticContact CE1-CD1 3.76Å; F544-F551 HydrophobicContact CE1-CD1 3.76Å; F544-F551 AromaticContact CE1-CD2 3.98Å; F544-F551 HydrophobicContact CE1-CD2 3.98Å; F544-F551 HydrophobicContact CE1-CE1 4.33Å; F544-F551 AromaticContact CE1-CG 3.57Å; F544-F551 HydrophobicContact CE1-CG 3.57Å; F544-F551 HydrophobicContact CZ-CB 4.38Å; F544-F551 HydrophobicContact CZ-CD1 4.15Å; F544-F551 AromaticContact CZ-CD2 3.72Å; F544-F551 HydrophobicContact CZ-CD2 3.72Å; F544-F551 HydrophobicContact CZ-CE1 4.39Å; F544-F551 AromaticContact CZ-CE2 4Å; F544-F551 HydrophobicContact CZ-CE2 4Å; F544-F551 AromaticContact CZ-CG 3.82Å; F544-F551 HydrophobicContact CZ-CG 3.82Å; F544-F551 HydrophobicContact CZ-CZ 4.32Å; H548-F551 HydrophobicContact CB-CB 4Å; H548-F551 VanDerWaalsContact O-CB 3.28Å; H548-F551 WeakPolarHBondContact O-CB 3.43Å; H548-F551 PolarHBondContact O-N 3.08Å; F551-R553 VanDerWaalsContact C-N 3.33Å; F551-R553 PolarHBondContact O-N 3.03Å; F551-L554 PolarHBondContact O-N 2.84Å; F551-L554 VanDerWaalsContact O-N 3.14Å; F551-C555 WeakPolarHBondContact CE1-SG 3.36Å; F551-C555 PolarHBondContact O-N 2.88Å; F551-C555 PolarHBondContact O-SG 3.09Å; F551-P561 HydrophobicContact CE1-CG 4.49Å; F551-P561 HydrophobicContact CZ-CG 3.99Å
552	S	94.5	Very high	93.4	Very high	53 Å²	53	64.9 Å²	64.9	37%	0.371	33%	0.329	S	S	.	.	H	α-helix	trans	-57.7	-45.9	177.2	-170.4	0	0	0	0	111.6	V550 L554 C555 D556	V550-S552 PolarHBondContact O-N 2.79Å; S552-L554 VanDerWaalsContact C-N 3.29Å; S552-L554 PolarHBondContact O-N 3.07Å; S552-C555 WeakPolarHBondContact O-CB 3.23Å; S552-C555 PolarHBondContact O-N 3.1Å; S552-D556 VanDerWaalsContact O-CG 3.3Å; S552-D556 PolarHBondContact O-N 3.39Å
553	R	95.3	Very high	92.8	Very high	142 Å²	142	64.6 Å²	64.6	54%	0.536	33%	0.329	S	S	.	.	H	α-helix	trans	-64.1	-35	178.8	-178.6	179.9	176.1	-171.9	-3.5	112.1	V550 F551 D556 K557	V550-R553 PolarHBondContact O-N 3.29Å; V550-R553 VanDerWaalsContact O-N 3.17Å; F551-R553 VanDerWaalsContact C-N 3.33Å; F551-R553 PolarHBondContact O-N 3.03Å; R553-D556 PolarHBondContact O-N 3.1Å; R553-K557 WeakPolarHBondContact O-CB 3.41Å; R553-K557 PolarHBondContact O-N 3.09Å; R553-K557 VanDerWaalsContact O-N 3.13Å
554	L	96.7	Very high	91.9	Very high	6 Å²	6	63 Å²	63	3%	0.031	34%	0.336	C	S	.	.	H	α-helix	trans	-70.4	-38.5	175.7	-67.4	-179.3	0	0	0	111.6	E511 Y514 L515 V550 F551 S552 D556 K557 Y558	E511-L554 HydrophobicContact CB-CD2 3.93Å; E511-L554 HydrophobicContact CG-CD2 3.79Å; Y514-L554 HydrophobicContact CD1-CD1 3.77Å; Y514-L554 HydrophobicContact CE1-CD1 4.3Å; Y514-L554 HydrophobicContact CG-CD1 4.45Å; L515-L554 HydrophobicContact CD1-CB 4.1Å; L515-L554 HydrophobicContact CD2-CB 3.72Å; L515-L554 HydrophobicContact CG-CB 3.97Å; V550-L554 HydrophobicContact CG2-CD1 4.14Å; V550-L554 WeakPolarHBondContact O-CG 3.4Å; V550-L554 PolarHBondContact O-N 3.09Å; F551-L554 PolarHBondContact O-N 2.84Å; F551-L554 VanDerWaalsContact O-N 3.14Å; S552-L554 VanDerWaalsContact C-N 3.29Å; S552-L554 PolarHBondContact O-N 3.07Å; L554-D556 VanDerWaalsContact C-N 3.34Å; L554-K557 PolarHBondContact O-N 3.17Å; L554-K557 VanDerWaalsContact O-N 3.17Å; L554-Y558 HydrophobicContact CD2-CE2 4.27Å; L554-Y558 PolarHBondContact O-N 3.23Å
555	C	95.5	Very high	90.9	Very high	16 Å²	16	67.5 Å²	67.5	11%	0.108	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-42.6	171.1	-69.6	0	0	0	0	111.6	F551 S552 K557 G559	F551-C555 WeakPolarHBondContact CE1-SG 3.36Å; F551-C555 PolarHBondContact O-N 2.88Å; F551-C555 PolarHBondContact O-SG 3.09Å; S552-C555 WeakPolarHBondContact O-CB 3.23Å; S552-C555 PolarHBondContact O-N 3.1Å; C555-K557 PolarHBondContact O-N 3.32Å; C555-G559 CarbonylContact O-C 3.32Å; C555-G559 WeakPolarHBondContact O-CA 3.31Å; C555-G559 PolarHBondContact O-N 3.36Å
556	D	95.3	Very high	90	Very high	133 Å²	133	65.2 Å²	65.2	71%	0.711	35%	0.351	S	S	*	.	H	α-helix	trans	-62.6	-31.9	176.3	-62.8	-28.7	0	0	0	112	S552 R553 L554	S552-D556 VanDerWaalsContact O-CG 3.3Å; S552-D556 PolarHBondContact O-N 3.39Å; R553-D556 PolarHBondContact O-N 3.1Å; L554-D556 VanDerWaalsContact C-N 3.34Å
557	K	96.1	Very high	88.9	Confident	117 Å²	117	65.8 Å²	65.8	51%	0.509	35%	0.353	S	S	.	.	H	α-helix	trans	-82.8	-39.9	-177.3	-173.2	178.6	177.4	-165.3	0	113.8	E511 R553 L554 C555	E511-K557 IonicContact OE1-NZ 3.9Å; E511-K557 IonicContact OE2-NZ 2.87Å; E511-K557 PolarHBondContact OE2-NZ 3.39Å; R553-K557 WeakPolarHBondContact O-CB 3.41Å; R553-K557 PolarHBondContact O-N 3.09Å; R553-K557 VanDerWaalsContact O-N 3.13Å; L554-K557 PolarHBondContact O-N 3.17Å; L554-K557 VanDerWaalsContact O-N 3.17Å; C555-K557 PolarHBondContact O-N 3.32Å
558	Y	95	Very high	87.4	Confident	73 Å²	73	66.8 Å²	66.8	29%	0.286	37%	0.366	S	S	.	.	H	α-helix	trans	-117.8	-10	-171.2	-65.9	-66.6	0	0	0	114.7	R508 E511 L512 L515 L554	R508-Y558 HydrophobicContact CG-CE1 4.24Å; E511-Y558 HydrophobicContact CB-CE2 3.7Å; E511-Y558 WeakPolarHBondContact OE2-CE2 3.42Å; E511-Y558 PolarHBondContact OE2-OH 2.64Å; L512-Y558 HydrophobicContact CD2-CD1 3.84Å; L512-Y558 HydrophobicContact CD2-CD2 4.33Å; L512-Y558 HydrophobicContact CD2-CE1 4.43Å; L512-Y558 HydrophobicContact CD2-CG 3.79Å; L512-Y558 HydrophobicContact CG-CD1 4.46Å; L515-Y558 HydrophobicContact CD1-CD2 4.04Å; L515-Y558 HydrophobicContact CD1-CG 4.34Å; L554-Y558 HydrophobicContact CD2-CE2 4.27Å; L554-Y558 PolarHBondContact O-N 3.23Å
559	G	92.8	Very high	85.6	Confident	40 Å²	40	71.8 Å²	71.8	41%	0.412	40%	0.398	S	S	.	.			trans	95.5	152.8	-166.8	0	0	0	0	0	111.9	C555	C555-G559 CarbonylContact O-C 3.32Å; C555-G559 WeakPolarHBondContact O-CA 3.31Å; C555-G559 PolarHBondContact O-N 3.36Å
560	A	89.7	Confident	83.4	Confident	54 Å²	54	74.6 Å²	74.6	45%	0.446	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-69.8	139.6	174.6	0	0	0	0	0	110.5	W522 E562	W522-A560 HydrophobicContact CH2-CB 3.75Å; W522-A560 HydrophobicContact CZ3-CB 3.86Å; A560-E562 PolarHBondContact O-N 3.44Å
561	P	87.8	Confident	81.4	Confident	5 Å²	5	85 Å²	85	3%	0.032	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-66.5	133.2	-177.1	25.6	-32.8	0	0	0	111.4	W522 F551 E565 T566	W522-P561 HydrophobicContact CE3-CG 4.18Å; W522-P561 HydrophobicContact CZ3-CG 4.49Å; F551-P561 HydrophobicContact CE1-CG 4.49Å; F551-P561 HydrophobicContact CZ-CG 3.99Å; P561-E565 WeakPolarHBondContact CA-OE2 3.43Å; P561-T566 HydrophobicContact CB-CG2 4.2Å
562	E	82.9	Confident	79.3	Confident	140 Å²	140	87.7 Å²	87.7	65%	0.654	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-84.4	155.6	175.1	-66	-171.9	179.8	0	0	111.6	A560 G564 E565 T566	A560-E562 PolarHBondContact O-N 3.44Å; E562-G564 PolarHBondContact O-N 2.96Å; E562-E565 HydrophobicContact CB-CG 4.3Å; E562-E565 PolarHBondContact N-OE2 2.73Å; E562-E565 WeakPolarHBondContact O-CB 3.5Å; E562-E565 PolarHBondContact O-N 3.29Å; E562-T566 PolarHBondContact O-N 3.43Å
563	I	77.6	Confident	77.3	Confident	96 Å²	96	91.8 Å²	91.8	49%	0.492	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-36.8	-180	-59.3	162.6	0	0	0	111.5	L523 E565 T566	L523-I563 HydrophobicContact CD1-CG1 4.1Å; I563-E565 VanDerWaalsContact C-N 3.35Å; I563-E565 PolarHBondContact O-N 3.02Å; I563-T566 PolarHBondContact O-OG1 3.17Å
564	G	72.6	Confident	75.4	Confident	53 Å²	53	93.9 Å²	93.9	55%	0.546	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-35.7	178.5	0	0	0	0	0	113.9	E562	E562-G564 PolarHBondContact O-N 2.96Å
565	E	75.5	Confident	73.3	Confident	100 Å²	100	96.4 Å²	96.4	47%	0.467	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-23.3	-176.3	-57.7	-177.9	146	0	0	112.8	K516 P561 E562 I563 K567	K516-E565 HydrophobicContact CG-CB 4.47Å; P561-E565 WeakPolarHBondContact CA-OE2 3.43Å; E562-E565 HydrophobicContact CB-CG 4.3Å; E562-E565 PolarHBondContact N-OE2 2.73Å; E562-E565 WeakPolarHBondContact O-CB 3.5Å; E562-E565 PolarHBondContact O-N 3.29Å; I563-E565 VanDerWaalsContact C-N 3.35Å; I563-E565 PolarHBondContact O-N 3.02Å; E565-K567 VanDerWaalsContact C-N 3.29Å; E565-K567 PolarHBondContact O-N 2.63Å
566	T	75.8	Confident	72	Confident	25 Å²	25	96.3 Å²	96.3	15%	0.153	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-5.8	179.7	67.7	0	0	0	0	113.7	A520 L523 P561 E562 I563	A520-T566 HydrophobicContact CB-CG2 4.42Å; L523-T566 HydrophobicContact CD1-CG2 4.18Å; P561-T566 HydrophobicContact CB-CG2 4.2Å; E562-T566 PolarHBondContact O-N 3.43Å; I563-T566 PolarHBondContact O-OG1 3.17Å
567	K	68	Low	71.4	Confident	139 Å²	139	92.6 Å²	92.6	60%	0.604	50%	0.5	S	S	*	.	S	Bend	trans	-72.4	130.7	179.8	-68.6	-178.1	-179.5	177.5	0	110	E565 V569	E565-K567 VanDerWaalsContact C-N 3.29Å; E565-K567 PolarHBondContact O-N 2.63Å; K567-V569 PolarHBondContact O-N 3.37Å; K567-V569 VanDerWaalsContact O-N 3.15Å
568	P	61.6	Low	71	Confident	129 Å²	129	88.2 Å²	88.2	84%	0.838	48%	0.482	S	S	*	.			trans	-61.7	120.4	176.5	24.2	-32	0	0	0	109.9	N570	P568-N570 PolarHBondContact O-N 2.78Å
569	V	56.9	Low	70.8	Confident	122 Å²	122	85.5 Å²	85.5	74%	0.739	47%	0.474	S	S	*	.			trans	-74.6	107.4	173.4	-178.5	0	0	0	0	107.9	K567 R571	K567-V569 PolarHBondContact O-N 3.37Å; K567-V569 VanDerWaalsContact O-N 3.15Å; V569-R571 PolarHBondContact O-N 3.02Å
570	N	49.6	Very low	70.8	Confident	115 Å²	115	83.6 Å²	83.6	62%	0.615	45%	0.454	S	S	*	.			trans	-69.7	102.2	176.8	-168.6	-18	0	0	0	109.8	P568 S572 A575	P568-N570 PolarHBondContact O-N 2.78Å; N570-S572 PolarHBondContact O-N 3.33Å; N570-S572 WeakPolarHBondContact OD1-CB 3.33Å; N570-S572 PolarHBondContact OD1-N 3.19Å; N570-S572 VanDerWaalsContact OD1-N 3.1Å; N570-A575 HydrophobicContact CB-CB 4.15Å
571	R	53	Low	71	Confident	226 Å²	226	81.3 Å²	81.3	85%	0.853	43%	0.434	S	S	*	.			trans	-81	6.7	178.6	-65.6	-174	-178.8	178.5	1.6	113.9	V569 I573	V569-R571 PolarHBondContact O-N 3.02Å; R571-I573 PolarHBondContact O-N 2.74Å
572	S	52.9	Low	71.4	Confident	57 Å²	57	81.1 Å²	81.1	40%	0.399	43%	0.433	S	S	.	.			trans	-61.2	126.8	173.3	175.7	0	0	0	0	110	N570 K574 A575 G576	N570-S572 PolarHBondContact O-N 3.33Å; N570-S572 WeakPolarHBondContact OD1-CB 3.33Å; N570-S572 PolarHBondContact OD1-N 3.19Å; N570-S572 VanDerWaalsContact OD1-N 3.1Å; S572-K574 PolarHBondContact O-N 3.46Å; S572-K574 PolarHBondContact OG-N 2.97Å; S572-A575 WeakPolarHBondContact O-CB 3.37Å; S572-A575 PolarHBondContact O-N 3.39Å; S572-G576 PolarHBondContact O-N 3.15Å
573	I	52.3	Low	71.8	Confident	140 Å²	140	75.1 Å²	75.1	72%	0.718	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-51.4	-34.6	175.8	-62.7	171.6	0	0	0	110.8	R571 A575 G576	R571-I573 PolarHBondContact O-N 2.74Å; I573-A575 VanDerWaalsContact C-N 3.3Å; I573-A575 PolarHBondContact O-N 3.19Å; I573-G576 PolarHBondContact O-N 2.54Å
574	K	55	Low	72.6	Confident	185 Å²	185	71.3 Å²	71.3	80%	0.804	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-65.7	-29	177.3	-73.9	-175	176.4	179.9	0	113.7	S572	S572-K574 PolarHBondContact O-N 3.46Å; S572-K574 PolarHBondContact OG-N 2.97Å
575	A	54.1	Low	73.4	Confident	59 Å²	59	72 Å²	72	49%	0.488	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-83.4	-16.3	179.1	0	0	0	0	0	112.8	N570 S572 I573	N570-A575 HydrophobicContact CB-CB 4.15Å; S572-A575 WeakPolarHBondContact O-CB 3.37Å; S572-A575 PolarHBondContact O-N 3.39Å; I573-A575 VanDerWaalsContact C-N 3.3Å; I573-A575 PolarHBondContact O-N 3.19Å
576	G	66.9	Low	73.8	Confident	15 Å²	15	72.7 Å²	72.7	16%	0.155	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-94.1	6	179.6	0	0	0	0	0	115.4	S572 I573 S616	S572-G576 PolarHBondContact O-N 3.15Å; I573-G576 PolarHBondContact O-N 2.54Å; G576-S616 PolarHBondContact O-N 3.37Å; G576-S616 PolarHBondContact O-OG 3.48Å
577	L	83.5	Confident	73.3	Confident	55 Å²	55	77.7 Å²	77.7	29%	0.288	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	131.5	179.8	-63.2	175.9	0	0	0	111.3	Q613 I614 P615	L577-Q613 HydrophobicContact CB-CB 4.46Å; L577-I614 CarbonylContact C-O 3.42Å; L577-I614 WeakPolarHBondContact CA-O 3.45Å; L577-P615 HydrophobicContact CD2-CB 4.36Å; L577-P615 HydrophobicContact CD2-CG 3.88Å
578	I	87.3	Confident	72.8	Confident	24 Å²	24	80.2 Å²	80.2	12%	0.123	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.8	172	-54.6	167.1	0	0	0	108.1	L580 Q613 I614 S616 L670 E671	I578-L580 HydrophobicContact CG2-CD2 3.62Å; I578-L580 HydrophobicContact CG2-CG 4.03Å; I578-Q613 WeakPolarHBondContact O-CA 3.43Å; I578-I614 PolarHBondContact N-O 3.26Å; I578-I614 PolarHBondContact O-N 3.01Å; I578-S616 VanDerWaalsContact CD1-CB 3.44Å; I578-L670 WeakPolarHBondContact CD1-O 3.42Å; I578-E671 VanDerWaalsContact CG2-C 3.5Å; I578-E671 WeakPolarHBondContact CG2-O 3.33Å
579	S	91.3	Very high	72	Confident	17 Å²	17	80.9 Å²	80.9	12%	0.119	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	108	175.5	-168.7	0	0	0	0	109.8	Q611 N672 D673	S579-Q611 PolarHBondContact OG-NE2 3.32Å; S579-N672 PolarHBondContact N-OD1 2.89Å; S579-N672 CarbonylContact O-C 3.57Å; S579-N672 WeakPolarHBondContact O-CA 3.29Å; S579-D673 PolarHBondContact O-N 3.14Å
580	L	92.9	Very high	71.3	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	150.7	-178.7	-61.1	-177.5	0	0	0	111.8	I578 F582 Q611 K612 I614 I665 L670 E671 D674 I676	I578-L580 HydrophobicContact CG2-CD2 3.62Å; I578-L580 HydrophobicContact CG2-CG 4.03Å; L580-F582 HydrophobicContact CB-CE2 3.97Å; L580-F582 HydrophobicContact CB-CZ 4.39Å; L580-Q611 WeakPolarHBondContact O-CA 2.85Å; L580-K612 PolarHBondContact N-O 3.3Å; L580-K612 PolarHBondContact O-N 3.42Å; L580-I614 HydrophobicContact CD1-CD1 3.57Å; L580-I614 HydrophobicContact CD1-CG1 4.25Å; L580-I614 HydrophobicContact CG-CD1 4.28Å; L580-I665 HydrophobicContact CD1-CG2 4.12Å; L580-L670 HydrophobicContact CD1-CD1 4.09Å; L580-L670 HydrophobicContact CD2-CB 4.09Å; L580-E671 VanDerWaalsContact CD2-O 3.27Å; L580-E671 WeakPolarHBondContact CD2-O 3.48Å; L580-D674 HydrophobicContact CD2-CB 3.92Å; L580-I676 HydrophobicContact CB-CD1 4.46Å; L580-I676 HydrophobicContact CD1-CD1 3.43Å; L580-I676 VanDerWaalsContact CD1-CD1 3.43Å; L580-I676 HydrophobicContact CD1-CG1 4.21Å
581	I	93.7	Very high	70.9	Confident	6 Å²	6	80.4 Å²	80.4	3%	0.031	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	108.5	178.8	-56.9	168.2	0	0	0	109.1	I583 R609 Q611 D673 D674 Y675 I676	I581-I583 HydrophobicContact CG2-CG1 4.32Å; I581-R609 HydrophobicContact CG2-CG 3.9Å; I581-Q611 HydrophobicContact CG1-CG 4.1Å; I581-D673 HydrophobicContact CD1-CB 4.18Å; I581-D674 PolarHBondContact N-O 3.21Å; I581-Y675 HydrophobicContact CB-CD1 3.81Å; I581-Y675 HydrophobicContact CB-CE1 3.82Å; I581-Y675 HydrophobicContact CB-CG 4.37Å; I581-Y675 HydrophobicContact CD1-CE1 3.87Å; I581-Y675 HydrophobicContact CD1-CE2 4Å; I581-Y675 HydrophobicContact CG1-CE1 4.46Å; I581-Y675 HydrophobicContact CG2-CD1 3.73Å; I581-Y675 HydrophobicContact CG2-CE1 3.52Å; I581-Y675 CarbonylContact O-C 3.52Å; I581-Y675 VanDerWaalsContact O-CA 3.26Å; I581-Y675 WeakPolarHBondContact O-CA 3.49Å; I581-I676 PolarHBondContact O-N 3.32Å
582	F	95	Very high	70.2	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.9	176.6	-63.1	-96.9	0	0	0	110.3	L580 R609 I610 K612 I614 L623 M626 V627 L630 F631 I676	L580-F582 HydrophobicContact CB-CE2 3.97Å; L580-F582 HydrophobicContact CB-CZ 4.39Å; F582-R609 WeakPolarHBondContact O-CA 3.31Å; F582-I610 WeakPolarHBondContact CB-O 3.4Å; F582-I610 PolarHBondContact N-O 3.3Å; F582-I610 PolarHBondContact O-N 3.23Å; F582-K612 HydrophobicContact CD2-CB 4.26Å; F582-K612 HydrophobicContact CE2-CB 3.95Å; F582-I614 HydrophobicContact CZ-CD1 4.04Å; F582-L623 HydrophobicContact CE1-CD1 3.59Å; F582-L623 HydrophobicContact CZ-CD1 3.68Å; F582-M626 HydrophobicContact CE1-CE 4.03Å; F582-M626 HydrophobicContact CE2-CE 4.08Å; F582-M626 HydrophobicContact CZ-CE 3.49Å; F582-M626 VanDerWaalsContact CZ-CE 3.49Å; F582-V627 HydrophobicContact CD1-CG2 3.92Å; F582-V627 HydrophobicContact CE1-CG2 3.86Å; F582-L630 HydrophobicContact CD2-CD1 4.32Å; F582-L630 HydrophobicContact CE2-CD1 4.46Å; F582-L630 HydrophobicContact CG-CD1 4.43Å; F582-F631 HydrophobicContact CB-CE2 3.71Å; F582-F631 HydrophobicContact CB-CZ 3.62Å; F582-I676 CarbonylContact C-O 3.53Å; F582-I676 VanDerWaalsContact CA-O 3.26Å; F582-I676 WeakPolarHBondContact CA-O 3.22Å; F582-I676 HydrophobicContact CD1-CB 3.85Å; F582-I676 HydrophobicContact CD1-CD1 4.44Å; F582-I676 HydrophobicContact CD1-CG2 3.9Å; F582-I676 HydrophobicContact CE1-CB 3.97Å; F582-I676 HydrophobicContact CE1-CD1 3.69Å; F582-I676 HydrophobicContact CE1-CG1 4.4Å; F582-I676 HydrophobicContact CE1-CG2 3.98Å; F582-I676 HydrophobicContact CZ-CD1 3.9Å
583	I	93.3	Very high	69.7	Low	15 Å²	15	79.9 Å²	79.9	8%	0.077	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.5	177.7	-63.3	-177.1	0	0	0	110	I581 Q585 M604 D608 R609 Y675 I676 F677 V678	I581-I583 HydrophobicContact CG2-CG1 4.32Å; I583-Q585 HydrophobicContact CG2-CG 4.13Å; I583-M604 HydrophobicContact CG2-CE 3.82Å; I583-D608 CarbonylContact C-O 3.49Å; I583-D608 VanDerWaalsContact CA-O 3.28Å; I583-D608 WeakPolarHBondContact CA-O 3.44Å; I583-R609 HydrophobicContact CG1-CG 4.37Å; I583-Y675 HydrophobicContact CD1-CD1 3.39Å; I583-Y675 HydrophobicContact CD1-CE1 3.71Å; I583-Y675 HydrophobicContact CG1-CD1 4.03Å; I583-I676 PolarHBondContact N-O 3.19Å; I583-F677 HydrophobicContact CB-CD1 3.74Å; I583-F677 HydrophobicContact CB-CE1 3.98Å; I583-F677 HydrophobicContact CD1-CD1 4.4Å; I583-F677 HydrophobicContact CD1-CE1 3.75Å; I583-F677 HydrophobicContact CD1-CZ 4.35Å; I583-F677 HydrophobicContact CG1-CE1 4.38Å; I583-F677 HydrophobicContact CG2-CD1 3.89Å; I583-F677 HydrophobicContact CG2-CE1 4.04Å; I583-F677 CarbonylContact O-C 3.3Å; I583-F677 WeakPolarHBondContact O-CA 3.32Å; I583-V678 PolarHBondContact O-N 3.3Å
584	L	92.8	Very high	68.9	Low	15 Å²	15	80.7 Å²	80.7	8%	0.079	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	128.2	170.7	-161.8	63.1	0	0	0	110.3	D608 F631 L633 V678 I680	L584-D608 HydrophobicContact CB-CB 4.09Å; L584-D608 PolarHBondContact N-O 3.04Å; L584-F631 HydrophobicContact CB-CD1 3.87Å; L584-F631 HydrophobicContact CB-CE1 3.78Å; L584-F631 HydrophobicContact CB-CG 4.47Å; L584-F631 HydrophobicContact CB-CZ 4.31Å; L584-F631 HydrophobicContact CD1-CB 4.37Å; L584-F631 HydrophobicContact CD1-CD1 4.34Å; L584-F631 HydrophobicContact CD1-CD2 4.43Å; L584-F631 HydrophobicContact CD1-CG 4.13Å; L584-F631 HydrophobicContact CD2-CB 4.3Å; L584-F631 HydrophobicContact CD2-CD1 3.99Å; L584-F631 HydrophobicContact CD2-CG 4.32Å; L584-F631 HydrophobicContact CG-CD1 4.31Å; L584-L633 HydrophobicContact CD1-CD2 4.46Å; L584-V678 WeakPolarHBondContact CA-O 3.13Å; L584-V678 HydrophobicContact CD1-CB 3.8Å; L584-V678 HydrophobicContact CD1-CG1 3.64Å; L584-I680 HydrophobicContact CD1-CD1 3.5Å; L584-I680 HydrophobicContact CD1-CG1 4.05Å; L584-I680 HydrophobicContact CD2-CD1 4.3Å; L584-I680 HydrophobicContact CG-CD1 4.17Å
585	Q	89.3	Confident	68.2	Low	68 Å²	68	81.4 Å²	81.4	32%	0.318	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.5	175.6	-70.3	-175.7	-29.1	0	0	109.3	I583 F677 V678 R679 I680	I583-Q585 HydrophobicContact CG2-CG 4.13Å; Q585-F677 HydrophobicContact CG-CD1 4.13Å; Q585-V678 PolarHBondContact N-O 3.43Å; Q585-R679 HydrophobicContact CB-CG 4.12Å; Q585-R679 WeakPolarHBondContact O-CA 3.33Å; Q585-I680 PolarHBondContact O-N 3.26Å
586	H	83.8	Confident	67.3	Low	114 Å²	114	84.1 Å²	84.1	53%	0.528	46%	0.463	S	S	.	.			trans	-92.6	127.3	172.8	-67.8	-73.8	0	0	0	110.2	K588	H586-K588 PolarHBondContact O-N 2.84Å
587	N	66.1	Low	66	Low	131 Å²	131	88.5 Å²	88.5	70%	0.701	49%	0.491	S	S	*	.			trans	-64.5	108.9	174.1	-114.2	-19.4	0	0	0	110.7	N589 I680	N587-N589 VanDerWaalsContact C-N 3.29Å; N587-N589 PolarHBondContact O-N 3.2Å; N587-I680 PolarHBondContact N-O 3.3Å
588	K	56.6	Low	63.9	Low	192 Å²	192	90.8 Å²	90.8	84%	0.835	51%	0.512	S	S	*	.			trans	-74.6	81.8	171.6	-74.8	-174.2	-179.9	178	0	109.9	H586 N590	H586-K588 PolarHBondContact O-N 2.84Å; K588-N590 PolarHBondContact O-N 3.1Å
589	N	45.1	Very low	61.3	Low	142 Å²	142	101.8 Å²	101.8	76%	0.759	55%	0.552	S	S	*	*			trans	-76.5	97.2	160	-82.3	-13.9	0	0	0	108.6	N587	N587-N589 VanDerWaalsContact C-N 3.29Å; N587-N589 PolarHBondContact O-N 3.2Å
590	N	42.6	Very low	58.7	Low	164 Å²	164	106.2 Å²	106.2	88%	0.877	58%	0.583	S	S	*	*			trans	-147.4	124.1	155.8	-96.2	-20.5	0	0	0	109.9	K588	K588-N590 PolarHBondContact O-N 3.1Å
591	G	42.5	Very low	56	Low	63 Å²	63	111.8 Å²	111.8	65%	0.649	62%	0.622	S	S	*	*			trans	-67.3	165.8	-178.8	0	0	0	0	0	114.3
592	T	37.5	Very low	53.4	Low	130 Å²	130	115.8 Å²	115.8	80%	0.798	65%	0.651	S	S	*	*			trans	50	99.3	148	55.9	0	0	0	0	117.3
593	T	42.4	Very low	50.9	Low	143 Å²	143	121.6 Å²	121.6	88%	0.877	69%	0.689	S	S	*	*				162.7	141.7	100.6	43.2	0	0	0	0	110.7
594	N	35	Very low	48.7	Very low	156 Å²	156	125.7 Å²	125.7	83%	0.834	71%	0.709	S	S	*	*			trans	-55.1	131.2	176.6	-65.9	-37.9	0	0	0	112.4
595	K	40	Very low	47	Very low	200 Å²	200	129.7 Å²	129.7	87%	0.87	73%	0.73	S	S	*	*				-174.7	125	122.5	-100.9	166	-174.5	-179.8	0	110.7
596	S	35.4	Very low	45.5	Very low	116 Å²	116	135.6 Å²	135.6	81%	0.811	75%	0.754	S	S	*	*			trans	-56.6	126.5	167.4	34	0	0	0	0	111.6
597	S	40.4	Very low	44.7	Very low	107 Å²	107	135.7 Å²	135.7	75%	0.748	76%	0.759	S	S	*	*			trans	178.9	137	136.6	38.1	0	0	0	0	111.7
598	S	38.7	Very low	45.5	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	74%	0.735	S	S	*	*			trans	59.8	107.9	151.8	55.6	0	0	0	0	120.1	S600	S598-S600 PolarHBondContact O-N 3.2Å
599	R	32.5	Very low	47.1	Very low	255 Å²	255	128.3 Å²	128.3	96%	0.962	72%	0.719	S	S	*	*				25.2	96.7	126.5	-76.3	177.5	172.3	164.8	-2.7	115.9
600	S	36.3	Very low	49.4	Very low	109 Å²	109	123.6 Å²	123.6	76%	0.762	69%	0.693	S	S	*	*			trans	-151.2	111.8	132.6	54.7	0	0	0	0	108.9	S598 S602	S598-S600 PolarHBondContact O-N 3.2Å; S600-S602 PolarHBondContact O-N 3.49Å; S600-S602 VanDerWaalsContact O-N 3.08Å
601	S	37.9	Very low	51.8	Low	118 Å²	118	121.1 Å²	121.1	83%	0.825	68%	0.676	S	S	*	*			trans	-61	104.4	160.3	47.4	0	0	0	0	106.8
602	S	39	Very low	54.2	Low	90 Å²	90	122.8 Å²	122.8	63%	0.629	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-60	132.2	160.7	28.7	0	0	0	0	106.5	S600 M604	S600-S602 PolarHBondContact O-N 3.49Å; S600-S602 VanDerWaalsContact O-N 3.08Å; S602-M604 PolarHBondContact O-N 2.6Å; S602-M604 VanDerWaalsContact O-N 3.15Å
603	P	41	Very low	56.8	Low	122 Å²	122	122.5 Å²	122.5	79%	0.792	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-59	124	173.2	4	3.6	0	0	0	106.8	D605	P603-D605 PolarHBondContact O-N 3.26Å
604	M	47.7	Very low	59.1	Low	101 Å²	101	115.8 Å²	115.8	50%	0.498	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-48.2	127.2	163	-92.1	-174.8	73.5	0	0	106.8	I583 S602 K606 D608 R609	I583-M604 HydrophobicContact CG2-CE 3.82Å; S602-M604 PolarHBondContact O-N 2.6Å; S602-M604 VanDerWaalsContact O-N 3.15Å; M604-K606 PolarHBondContact O-N 3.21Å; M604-D608 HydrophobicContact CE-CB 3.99Å; M604-R609 HydrophobicContact CE-CB 3.99Å
605	D	56.5	Low	61.7	Low	99 Å²	99	110.5 Å²	110.5	53%	0.529	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-58.3	133.6	176.9	-156.1	-14.6	0	0	0	107.3	P603 N607 D608	P603-D605 PolarHBondContact O-N 3.26Å; D605-N607 PolarHBondContact O-N 2.95Å; D605-D608 PolarHBondContact O-N 3.4Å
606	K	58.4	Low	63.9	Low	191 Å²	191	102.1 Å²	102.1	83%	0.83	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-57.3	-19.7	-174.6	-102.5	-179	176.1	179	0	111.9	M604	M604-K606 PolarHBondContact O-N 3.21Å
607	N	66.4	Low	66.2	Low	117 Å²	117	101.7 Å²	101.7	63%	0.626	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-78.6	-16.1	178.9	-63.3	-24.5	0	0	0	114	D605	D605-N607 PolarHBondContact O-N 2.95Å
608	D	83.1	Confident	68.6	Low	37 Å²	37	98.7 Å²	98.7	20%	0.198	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-87.5	-6.6	-177.6	-68.4	-19.5	0	0	0	113.1	I583 L584 M604 D605	I583-D608 CarbonylContact C-O 3.49Å; I583-D608 VanDerWaalsContact CA-O 3.28Å; I583-D608 WeakPolarHBondContact CA-O 3.44Å; L584-D608 HydrophobicContact CB-CB 4.09Å; L584-D608 PolarHBondContact N-O 3.04Å; M604-D608 HydrophobicContact CE-CB 3.99Å; D605-D608 PolarHBondContact O-N 3.4Å
609	R	91.7	Very high	71.3	Confident	131 Å²	131	95.2 Å²	95.2	49%	0.494	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	116.2	-179.7	-176.1	176.3	172.7	174.1	-1.6	111.4	I581 F582 I583 M604	I581-R609 HydrophobicContact CG2-CG 3.9Å; F582-R609 WeakPolarHBondContact O-CA 3.31Å; I583-R609 HydrophobicContact CG1-CG 4.37Å; M604-R609 HydrophobicContact CE-CB 3.99Å
610	I	92.3	Very high	74.2	Confident	42 Å²	42	83 Å²	83	22%	0.215	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.9	-178.3	-59	174.6	0	0	0	109.6	F582 L630 F631	F582-I610 WeakPolarHBondContact CB-O 3.4Å; F582-I610 PolarHBondContact N-O 3.3Å; F582-I610 PolarHBondContact O-N 3.23Å; I610-L630 HydrophobicContact CD1-CB 3.99Å; I610-L630 WeakPolarHBondContact CD1-O 3.45Å; I610-L630 HydrophobicContact CG2-CD2 4.24Å; I610-F631 HydrophobicContact CB-CE1 4.49Å; I610-F631 HydrophobicContact CB-CZ 4.31Å; I610-F631 HydrophobicContact CD1-CD1 3.78Å; I610-F631 HydrophobicContact CD1-CE1 3.59Å; I610-F631 HydrophobicContact CD1-CE2 4.48Å; I610-F631 HydrophobicContact CD1-CG 4.31Å; I610-F631 HydrophobicContact CD1-CZ 3.99Å; I610-F631 HydrophobicContact CG1-CD1 4.48Å; I610-F631 HydrophobicContact CG1-CE1 3.84Å; I610-F631 HydrophobicContact CG1-CZ 4.15Å
611	Q	93.1	Very high	77	Confident	113 Å²	113	81.4 Å²	81.4	53%	0.528	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.6	170.6	-168.1	175.8	14.4	0	0	109.6	S579 L580 I581 D673	S579-Q611 PolarHBondContact OG-NE2 3.32Å; L580-Q611 WeakPolarHBondContact O-CA 2.85Å; I581-Q611 HydrophobicContact CG1-CG 4.1Å; Q611-D673 PolarHBondContact NE2-OD1 2.84Å
612	K	92.8	Very high	79.7	Confident	98 Å²	98	80.7 Å²	80.7	43%	0.426	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	135.3	-177	-166.2	69.9	175.1	-176.9	0	111.5	L580 F582 I614 M626 L630	L580-K612 PolarHBondContact N-O 3.3Å; L580-K612 PolarHBondContact O-N 3.42Å; F582-K612 HydrophobicContact CD2-CB 4.26Å; F582-K612 HydrophobicContact CE2-CB 3.95Å; K612-I614 HydrophobicContact CG-CG2 4.05Å; K612-M626 HydrophobicContact CG-SD 4.36Å; K612-L630 HydrophobicContact CD-CD2 4.44Å
613	Q	92.7	Very high	82.3	Confident	124 Å²	124	76.4 Å²	76.4	58%	0.579	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.3	167.6	-73.6	-173.1	-13.7	0	0	110.6	L577 I578	L577-Q613 HydrophobicContact CB-CB 4.46Å; I578-Q613 WeakPolarHBondContact O-CA 3.43Å
614	I	90.9	Very high	84.9	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	149.8	-179	64.4	-174.8	0	0	0	111.3	L577 I578 L580 F582 K612 L623 M626 I665	L577-I614 CarbonylContact C-O 3.42Å; L577-I614 WeakPolarHBondContact CA-O 3.45Å; I578-I614 PolarHBondContact N-O 3.26Å; I578-I614 PolarHBondContact O-N 3.01Å; L580-I614 HydrophobicContact CD1-CD1 3.57Å; L580-I614 HydrophobicContact CD1-CG1 4.25Å; L580-I614 HydrophobicContact CG-CD1 4.28Å; F582-I614 HydrophobicContact CZ-CD1 4.04Å; K612-I614 HydrophobicContact CG-CG2 4.05Å; I614-L623 HydrophobicContact CD1-CD1 4.04Å; I614-M626 HydrophobicContact CG2-CE 3.58Å; I614-M626 HydrophobicContact CG2-SD 3.61Å; I614-I665 HydrophobicContact CD1-CD1 3.31Å; I614-I665 HydrophobicContact CG1-CD1 4.14Å
615	P	88.8	Confident	87	Confident	45 Å²	45	72.7 Å²	72.7	29%	0.292	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	134.8	173.9	-19.2	31.7	0	0	0	111.4	L577 Q617 M618	L577-P615 HydrophobicContact CD2-CB 4.36Å; L577-P615 HydrophobicContact CD2-CG 3.88Å; P615-Q617 PolarHBondContact O-N 3.3Å; P615-M618 VanDerWaalsContact O-CB 3.23Å; P615-M618 WeakPolarHBondContact O-CB 3.46Å; P615-M618 PolarHBondContact O-N 2.53Å
616	S	86.5	Confident	88.8	Confident	24 Å²	24	69.4 Å²	69.4	17%	0.168	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.5	175.2	63	0	0	0	0	112.9	G576 I578 M618 I665 G666	G576-S616 PolarHBondContact O-N 3.37Å; G576-S616 PolarHBondContact O-OG 3.48Å; I578-S616 VanDerWaalsContact CD1-CB 3.44Å; S616-M618 VanDerWaalsContact C-N 3.28Å; S616-M618 PolarHBondContact O-N 3.16Å; S616-I665 PolarHBondContact O-N 3.33Å; S616-G666 PolarHBondContact O-N 2.84Å
617	Q	84.6	Confident	90.5	Very high	106 Å²	106	60.3 Å²	60.3	50%	0.495	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	0.4	176.1	-54.2	81.1	10.9	0	0	113.6	P615 T619	P615-Q617 PolarHBondContact O-N 3.3Å; Q617-T619 PolarHBondContact O-N 2.73Å
618	M	90.3	Very high	91.8	Very high	44 Å²	44	58.3 Å²	58.3	22%	0.217	28%	0.275	C	S	.	.			trans	-64.5	132.6	173.9	179.3	177.4	-79.2	0	0	109.4	P615 S616 H622 L623 E664 I665	P615-M618 VanDerWaalsContact O-CB 3.23Å; P615-M618 WeakPolarHBondContact O-CB 3.46Å; P615-M618 PolarHBondContact O-N 2.53Å; S616-M618 VanDerWaalsContact C-N 3.28Å; S616-M618 PolarHBondContact O-N 3.16Å; M618-H622 HydrophobicContact CG-CB 3.67Å; M618-H622 HydrophobicContact SD-CB 4.29Å; M618-L623 HydrophobicContact SD-CB 4.36Å; M618-E664 CarbonylContact O-C 3.57Å; M618-E664 WeakPolarHBondContact O-CA 3.39Å; M618-I665 HydrophobicContact CB-CD1 3.87Å; M618-I665 HydrophobicContact CG-CD1 4.14Å; M618-I665 VanDerWaalsContact O-CG1 3.32Å; M618-I665 WeakPolarHBondContact O-CG1 3.36Å; M618-I665 PolarHBondContact O-N 2.99Å; M618-I665 HydrophobicContact SD-CD1 4.27Å
619	T	94.1	Very high	92.2	Very high	31 Å²	31	65.7 Å²	65.7	19%	0.19	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-76.1	155.7	175.6	65.7	0	0	0	0	112.3	Q617 N621 H622 L623 R663 E664	Q617-T619 PolarHBondContact O-N 2.73Å; T619-N621 PolarHBondContact O-N 3.11Å; T619-H622 PolarHBondContact O-N 3Å; T619-H622 PolarHBondContact OG1-ND1 2.96Å; T619-L623 PolarHBondContact O-N 2.69Å; T619-R663 CarbonylContact C-O 3.46Å; T619-R663 WeakPolarHBondContact CA-O 3.39Å; T619-E664 HydrophobicContact CG2-CG 4.49Å
620	I	94.5	Very high	92.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-33.1	177	-61.4	-49.5	0	0	0	111.7	L623 R624 L658 V660 D661 R663 I665 Y668	I620-L623 HydrophobicContact CD1-CD2 3.89Å; I620-L623 WeakPolarHBondContact O-CB 3.21Å; I620-L623 PolarHBondContact O-N 2.65Å; I620-R624 WeakPolarHBondContact O-CG 3.3Å; I620-R624 PolarHBondContact O-N 3.42Å; I620-L658 HydrophobicContact CD1-CB 4.11Å; I620-L658 HydrophobicContact CD1-CD1 4.18Å; I620-L658 HydrophobicContact CD1-CD2 4.35Å; I620-L658 HydrophobicContact CD1-CG 4.46Å; I620-L658 HydrophobicContact CG1-CB 4.46Å; I620-L658 HydrophobicContact CG2-CB 4.22Å; I620-L658 WeakPolarHBondContact CG2-O 3.22Å; I620-V660 WeakPolarHBondContact CB-O 3.42Å; I620-D661 PolarHBondContact N-O 2.81Å; I620-R663 WeakPolarHBondContact CG1-O 3.01Å; I620-R663 PolarHBondContact N-O 2.91Å; I620-I665 HydrophobicContact CD1-CG1 4.04Å; I620-Y668 HydrophobicContact CD1-CD2 4.21Å; I620-Y668 HydrophobicContact CD1-CE2 3.73Å; I620-Y668 HydrophobicContact CG1-CE2 3.78Å
621	N	94.1	Very high	92.2	Very high	75 Å²	75	60.3 Å²	60.3	40%	0.401	28%	0.28	S	S	.	.	H	α-helix	trans	-60.3	-48.3	172.6	-172.5	30.7	0	0	0	112.7	T619 L623 R624 M625 D661	T619-N621 PolarHBondContact O-N 3.11Å; N621-L623 VanDerWaalsContact C-N 3.3Å; N621-L623 PolarHBondContact O-N 3.08Å; N621-R624 WeakPolarHBondContact O-CB 3.35Å; N621-R624 PolarHBondContact O-N 3.07Å; N621-M625 PolarHBondContact O-N 3.21Å; N621-M625 VanDerWaalsContact O-N 3.08Å; N621-D661 HydrophobicContact CB-CB 4.13Å; N621-D661 WeakPolarHBondContact CB-O 3.45Å; N621-D661 PolarHBondContact N-O 2.89Å
622	H	94.7	Very high	92.1	Very high	103 Å²	103	60.4 Å²	60.4	48%	0.477	29%	0.293	S	S	.	.	H	α-helix	trans	-65.3	-35.6	176.5	-69.4	119.2	0	0	0	111.8	M618 T619 M625 M626	M618-H622 HydrophobicContact CG-CB 3.67Å; M618-H622 HydrophobicContact SD-CB 4.29Å; T619-H622 PolarHBondContact O-N 3Å; T619-H622 PolarHBondContact OG1-ND1 2.96Å; H622-M625 PolarHBondContact O-N 3.01Å; H622-M626 WeakPolarHBondContact O-CB 3.23Å; H622-M626 PolarHBondContact O-N 3.18Å
623	L	95	Very high	91.9	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.7	-45.1	172.6	-179.5	65.3	0	0	0	111.4	F582 I614 M618 T619 I620 N621 M625 M626 V627 L641 L658 I665 I676	F582-L623 HydrophobicContact CE1-CD1 3.59Å; F582-L623 HydrophobicContact CZ-CD1 3.68Å; I614-L623 HydrophobicContact CD1-CD1 4.04Å; M618-L623 HydrophobicContact SD-CB 4.36Å; T619-L623 PolarHBondContact O-N 2.69Å; I620-L623 HydrophobicContact CD1-CD2 3.89Å; I620-L623 WeakPolarHBondContact O-CB 3.21Å; I620-L623 PolarHBondContact O-N 2.65Å; N621-L623 VanDerWaalsContact C-N 3.3Å; N621-L623 PolarHBondContact O-N 3.08Å; L623-M625 PolarHBondContact O-N 3.32Å; L623-M626 HydrophobicContact CD1-CE 3.58Å; L623-M626 CarbonylContact O-C 3.48Å; L623-M626 WeakPolarHBondContact O-CB 3.37Å; L623-M626 PolarHBondContact O-N 3.21Å; L623-M626 VanDerWaalsContact O-N 3.14Å; L623-V627 WeakPolarHBondContact O-CB 3.45Å; L623-V627 WeakPolarHBondContact O-CG2 3.13Å; L623-V627 PolarHBondContact O-N 3.39Å; L623-L641 HydrophobicContact CD2-CD1 3.99Å; L623-L641 HydrophobicContact CG-CD1 4.13Å; L623-L658 HydrophobicContact CD2-CD1 3.99Å; L623-I665 HydrophobicContact CB-CD1 4.21Å; L623-I665 HydrophobicContact CD1-CD1 3.91Å; L623-I665 HydrophobicContact CD2-CD1 4.01Å; L623-I665 HydrophobicContact CD2-CG1 4.14Å; L623-I665 HydrophobicContact CG-CD1 4.26Å; L623-I676 HydrophobicContact CD1-CD1 4.37Å; L623-I676 HydrophobicContact CD2-CD1 3.99Å
624	R	94.4	Very high	91.8	Very high	52 Å²	52	53.8 Å²	53.8	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-59.6	-44.1	174.9	-72.9	177.6	-177	-76.8	-4.2	111.7	I620 N621 M626 V627 R628 F639 L641 L658 D661	I620-R624 WeakPolarHBondContact O-CG 3.3Å; I620-R624 PolarHBondContact O-N 3.42Å; N621-R624 WeakPolarHBondContact O-CB 3.35Å; N621-R624 PolarHBondContact O-N 3.07Å; R624-M626 VanDerWaalsContact C-N 3.31Å; R624-M626 PolarHBondContact O-N 3.34Å; R624-V627 PolarHBondContact O-N 3Å; R624-R628 WeakPolarHBondContact O-CG 3.33Å; R624-R628 PolarHBondContact O-N 3.13Å; R624-F639 HydrophobicContact CB-CE2 4.37Å; R624-F639 HydrophobicContact CB-CZ 4.15Å; R624-F639 HydrophobicContact CG-CE2 4.18Å; R624-F639 HydrophobicContact CG-CZ 4.4Å; R624-F639 PolarHBondContact NH1-O 3.49Å; R624-F639 VanDerWaalsContact NH1-O 3.12Å; R624-L641 HydrophobicContact CG-CD1 3.67Å; R624-L658 PolarHBondContact NH2-O 3.12Å; R624-D661 WeakPolarHBondContact CD-OD1 3.41Å; R624-D661 IonicContact CZ-OD1 3.87Å; R624-D661 IonicContact NE-OD1 2.86Å; R624-D661 PolarHBondContact NE-OD1 3.02Å
625	M	92.5	Very high	91.5	Very high	92 Å²	92	59.3 Å²	59.3	45%	0.453	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-40	174.5	-66.7	-178.7	73.3	0	0	112	N621 H622 L623 R629	N621-M625 PolarHBondContact O-N 3.21Å; N621-M625 VanDerWaalsContact O-N 3.08Å; H622-M625 PolarHBondContact O-N 3.01Å; L623-M625 PolarHBondContact O-N 3.32Å; M625-R629 PolarHBondContact O-N 2.91Å
626	M	94.2	Very high	91.4	Very high	31 Å²	31	66.6 Å²	66.6	15%	0.153	33%	0.333	C	S	.	.	H	α-helix	trans	-65.5	-45.8	176	-171.5	-171.6	63.8	0	0	111.3	F582 K612 I614 H622 L623 R624 R628 R629 L630	F582-M626 HydrophobicContact CE1-CE 4.03Å; F582-M626 HydrophobicContact CE2-CE 4.08Å; F582-M626 HydrophobicContact CZ-CE 3.49Å; F582-M626 VanDerWaalsContact CZ-CE 3.49Å; K612-M626 HydrophobicContact CG-SD 4.36Å; I614-M626 HydrophobicContact CG2-CE 3.58Å; I614-M626 HydrophobicContact CG2-SD 3.61Å; H622-M626 WeakPolarHBondContact O-CB 3.23Å; H622-M626 PolarHBondContact O-N 3.18Å; L623-M626 HydrophobicContact CD1-CE 3.58Å; L623-M626 CarbonylContact O-C 3.48Å; L623-M626 WeakPolarHBondContact O-CB 3.37Å; L623-M626 PolarHBondContact O-N 3.21Å; L623-M626 VanDerWaalsContact O-N 3.14Å; R624-M626 VanDerWaalsContact C-N 3.31Å; R624-M626 PolarHBondContact O-N 3.34Å; M626-R628 VanDerWaalsContact C-N 3.31Å; M626-R628 PolarHBondContact O-N 3.47Å; M626-R629 CarbonylContact O-C 3.59Å; M626-R629 WeakPolarHBondContact O-CA 3.45Å; M626-R629 WeakPolarHBondContact O-CB 3.47Å; M626-R629 PolarHBondContact O-N 3.27Å; M626-L630 HydrophobicContact CE-CD1 3.69Å; M626-L630 HydrophobicContact CG-CD1 3.96Å; M626-L630 HydrophobicContact CG-CG 4.05Å; M626-L630 WeakPolarHBondContact O-CG 3.46Å; M626-L630 PolarHBondContact O-N 3.19Å; M626-L630 HydrophobicContact SD-CD1 4.14Å
627	V	94.2	Very high	91.6	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-57.7	-42.4	178	163.6	0	0	0	0	111.6	F582 L623 R624 R629 L630 F631 L633 F639 L641 V678	F582-V627 HydrophobicContact CD1-CG2 3.92Å; F582-V627 HydrophobicContact CE1-CG2 3.86Å; L623-V627 WeakPolarHBondContact O-CB 3.45Å; L623-V627 WeakPolarHBondContact O-CG2 3.13Å; L623-V627 PolarHBondContact O-N 3.39Å; R624-V627 PolarHBondContact O-N 3Å; V627-R629 VanDerWaalsContact C-N 3.25Å; V627-R629 PolarHBondContact O-N 2.81Å; V627-L630 PolarHBondContact O-N 2.82Å; V627-F631 HydrophobicContact CG1-CD2 4.07Å; V627-F631 PolarHBondContact O-N 3.03Å; V627-L633 HydrophobicContact CG1-CD1 4.32Å; V627-F639 HydrophobicContact CB-CE2 4.17Å; V627-F639 HydrophobicContact CB-CZ 4.25Å; V627-F639 HydrophobicContact CG1-CD2 4.17Å; V627-F639 HydrophobicContact CG1-CE2 3.63Å; V627-F639 HydrophobicContact CG1-CZ 3.85Å; V627-L641 HydrophobicContact CG1-CD2 4.3Å; V627-L641 HydrophobicContact CG2-CD2 4.12Å; V627-V678 HydrophobicContact CG1-CB 4.24Å; V627-V678 HydrophobicContact CG1-CG1 3.55Å; V627-V678 HydrophobicContact CG1-CG2 3.62Å; V627-V678 HydrophobicContact CG2-CG2 4.2Å
628	R	93.4	Very high	91.9	Very high	74 Å²	74	68.7 Å²	68.7	28%	0.279	35%	0.346	S	S	.	.	H	α-helix	trans	-56.6	-39.9	173.7	-73.3	-177	179.4	-74	-1.9	112.3	R624 M626 C632 L633 S634 P635 T637 F639	R624-R628 WeakPolarHBondContact O-CG 3.33Å; R624-R628 PolarHBondContact O-N 3.13Å; M626-R628 VanDerWaalsContact C-N 3.31Å; M626-R628 PolarHBondContact O-N 3.47Å; R628-C632 CarbonylContact O-C 3.56Å; R628-C632 WeakPolarHBondContact O-CA 3.47Å; R628-C632 PolarHBondContact O-N 3.24Å; R628-C632 VanDerWaalsContact O-N 3.13Å; R628-L633 HydrophobicContact CG-CB 4.49Å; R628-L633 PolarHBondContact O-N 3.19Å; R628-S634 PolarHBondContact NH1-O 3.4Å; R628-P635 PolarHBondContact NH1-O 3.09Å; R628-T637 PolarHBondContact NH1-O 2.67Å; R628-T637 PolarHBondContact NH2-O 3.28Å; R628-F639 HydrophobicContact CG-CE1 3.63Å; R628-F639 HydrophobicContact CG-CZ 3.95Å
629	R	91.2	Very high	92.1	Very high	192 Å²	192	67.4 Å²	67.4	73%	0.725	34%	0.34	S	S	*	.	H	α-helix	trans	-74.5	-42.2	177.3	-64.5	176.5	-174.4	174.4	1.9	112.1	M625 M626 V627 C632	M625-R629 PolarHBondContact O-N 2.91Å; M626-R629 CarbonylContact O-C 3.59Å; M626-R629 WeakPolarHBondContact O-CA 3.45Å; M626-R629 WeakPolarHBondContact O-CB 3.47Å; M626-R629 PolarHBondContact O-N 3.27Å; V627-R629 VanDerWaalsContact C-N 3.25Å; V627-R629 PolarHBondContact O-N 2.81Å; R629-C632 PolarHBondContact O-N 3.22Å
630	L	91.5	Very high	92.1	Very high	40 Å²	40	71 Å²	71	21%	0.209	35%	0.354	C	S	.	.	H	α-helix	trans	-61.8	-44.2	-178.4	-72.7	177.5	0	0	0	111.9	F582 I610 K612 M626 V627	F582-L630 HydrophobicContact CD2-CD1 4.32Å; F582-L630 HydrophobicContact CE2-CD1 4.46Å; F582-L630 HydrophobicContact CG-CD1 4.43Å; I610-L630 HydrophobicContact CD1-CB 3.99Å; I610-L630 WeakPolarHBondContact CD1-O 3.45Å; I610-L630 HydrophobicContact CG2-CD2 4.24Å; K612-L630 HydrophobicContact CD-CD2 4.44Å; M626-L630 HydrophobicContact CE-CD1 3.69Å; M626-L630 HydrophobicContact CG-CD1 3.96Å; M626-L630 HydrophobicContact CG-CG 4.05Å; M626-L630 WeakPolarHBondContact O-CG 3.46Å; M626-L630 PolarHBondContact O-N 3.19Å; M626-L630 HydrophobicContact SD-CD1 4.14Å; V627-L630 PolarHBondContact O-N 2.82Å
631	F	92.6	Very high	92.1	Very high	20 Å²	20	71.2 Å²	71.2	9%	0.088	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	12.1	-178.7	-64.2	-75.6	0	0	0	113.8	F582 L584 I610 V627 L633 V678	F582-F631 HydrophobicContact CB-CE2 3.71Å; F582-F631 HydrophobicContact CB-CZ 3.62Å; L584-F631 HydrophobicContact CB-CD1 3.87Å; L584-F631 HydrophobicContact CB-CE1 3.78Å; L584-F631 HydrophobicContact CB-CG 4.47Å; L584-F631 HydrophobicContact CB-CZ 4.31Å; L584-F631 HydrophobicContact CD1-CB 4.37Å; L584-F631 HydrophobicContact CD1-CD1 4.34Å; L584-F631 HydrophobicContact CD1-CD2 4.43Å; L584-F631 HydrophobicContact CD1-CG 4.13Å; L584-F631 HydrophobicContact CD2-CB 4.3Å; L584-F631 HydrophobicContact CD2-CD1 3.99Å; L584-F631 HydrophobicContact CD2-CG 4.32Å; L584-F631 HydrophobicContact CG-CD1 4.31Å; I610-F631 HydrophobicContact CB-CE1 4.49Å; I610-F631 HydrophobicContact CB-CZ 4.31Å; I610-F631 HydrophobicContact CD1-CD1 3.78Å; I610-F631 HydrophobicContact CD1-CE1 3.59Å; I610-F631 HydrophobicContact CD1-CE2 4.48Å; I610-F631 HydrophobicContact CD1-CG 4.31Å; I610-F631 HydrophobicContact CD1-CZ 3.99Å; I610-F631 HydrophobicContact CG1-CD1 4.48Å; I610-F631 HydrophobicContact CG1-CE1 3.84Å; I610-F631 HydrophobicContact CG1-CZ 4.15Å; V627-F631 HydrophobicContact CG1-CD2 4.07Å; V627-F631 PolarHBondContact O-N 3.03Å; F631-L633 HydrophobicContact CB-CD1 4.41Å; F631-L633 HydrophobicContact CB-CD2 3.85Å; F631-L633 HydrophobicContact CB-CG 3.87Å; F631-L633 PolarHBondContact O-N 3.42Å; F631-L633 VanDerWaalsContact O-N 3.16Å; F631-V678 HydrophobicContact CD2-CG2 4.21Å; F631-V678 HydrophobicContact CE2-CB 4.47Å; F631-V678 HydrophobicContact CE2-CG2 3.75Å
632	C	90.2	Very high	92.1	Very high	116 Å²	116	70 Å²	70	78%	0.784	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	39.2	-179.5	-61.2	0	0	0	0	113.9	R628 R629	R628-C632 CarbonylContact O-C 3.56Å; R628-C632 WeakPolarHBondContact O-CA 3.47Å; R628-C632 PolarHBondContact O-N 3.24Å; R628-C632 VanDerWaalsContact O-N 3.13Å; R629-C632 PolarHBondContact O-N 3.22Å
633	L	90.2	Very high	92	Very high	25 Å²	25	65.1 Å²	65.1	13%	0.131	32%	0.323	C	S	.	.			trans	-74.7	136.3	-176.5	-54.1	-177.7	0	0	0	111	L584 V627 R628 F631 T637 F639 V678 I680	L584-L633 HydrophobicContact CD1-CD2 4.46Å; V627-L633 HydrophobicContact CG1-CD1 4.32Å; R628-L633 HydrophobicContact CG-CB 4.49Å; R628-L633 PolarHBondContact O-N 3.19Å; F631-L633 HydrophobicContact CB-CD1 4.41Å; F631-L633 HydrophobicContact CB-CD2 3.85Å; F631-L633 HydrophobicContact CB-CG 3.87Å; F631-L633 PolarHBondContact O-N 3.42Å; F631-L633 VanDerWaalsContact O-N 3.16Å; L633-T637 HydrophobicContact CB-CG2 4.45Å; L633-F639 HydrophobicContact CD1-CD1 3.69Å; L633-F639 HydrophobicContact CD1-CE1 3.93Å; L633-F639 HydrophobicContact CD1-CG 4.24Å; L633-V678 HydrophobicContact CD1-CG1 4.26Å; L633-I680 HydrophobicContact CD1-CD1 4.09Å; L633-I680 HydrophobicContact CD2-CD1 3.5Å; L633-I680 VanDerWaalsContact CD2-CD1 3.5Å; L633-I680 HydrophobicContact CG-CD1 4.44Å
634	S	89	Confident	91.6	Very high	57 Å²	57	65.6 Å²	65.6	40%	0.399	33%	0.325	S	S	.	.			trans	-60.2	150	174.8	85.9	0	0	0	0	110.7	R628 K636 T637	R628-S634 PolarHBondContact NH1-O 3.4Å; S634-K636 PolarHBondContact O-N 3.38Å; S634-K636 PolarHBondContact OG-N 3.46Å; S634-T637 PolarHBondContact N-OG1 2.9Å; S634-T637 WeakPolarHBondContact O-CB 3.24Å; S634-T637 PolarHBondContact O-N 3.12Å; S634-T637 PolarHBondContact O-OG1 2.8Å; S634-T637 PolarHBondContact OG-N 3.4Å; S634-T637 PolarHBondContact OG-OG1 2.96Å
635	P	85.1	Confident	90.9	Very high	119 Å²	119	64 Å²	64	77%	0.773	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.1	175.2	-26.6	34.9	0	0	0	114	R628	R628-P635 PolarHBondContact NH1-O 3.09Å
636	K	87.9	Confident	89.7	Confident	197 Å²	197	61.4 Å²	61.4	86%	0.857	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-15.4	179.2	-62.9	-175.2	179.9	-178.4	0	113.6	S634 L638	S634-K636 PolarHBondContact O-N 3.38Å; S634-K636 PolarHBondContact OG-N 3.46Å; K636-L638 PolarHBondContact O-N 3.4Å
637	T	89.4	Confident	88.3	Confident	31 Å²	31	67.9 Å²	67.9	19%	0.19	34%	0.341	C	S	.	.			trans	-68.3	119.4	178	-54.9	0	0	0	0	108.9	R628 L633 S634 I680	R628-T637 PolarHBondContact NH1-O 2.67Å; R628-T637 PolarHBondContact NH2-O 3.28Å; L633-T637 HydrophobicContact CB-CG2 4.45Å; S634-T637 PolarHBondContact N-OG1 2.9Å; S634-T637 WeakPolarHBondContact O-CB 3.24Å; S634-T637 PolarHBondContact O-N 3.12Å; S634-T637 PolarHBondContact O-OG1 2.8Å; S634-T637 PolarHBondContact OG-N 3.4Å; S634-T637 PolarHBondContact OG-OG1 2.96Å; T637-I680 HydrophobicContact CG2-CB 4.43Å; T637-I680 HydrophobicContact CG2-CD1 3.96Å; T637-I680 HydrophobicContact CG2-CG1 4Å; T637-I680 HydrophobicContact CG2-CG2 3.57Å
638	L	91.3	Very high	86.5	Confident	144 Å²	144	72.4 Å²	72.4	75%	0.754	36%	0.362	S	S	*	.			trans	-84.4	142	168.1	-63.7	176.7	0	0	0	108.3	K636	K636-L638 PolarHBondContact O-N 3.4Å
639	F	93.7	Very high	84.8	Confident	17 Å²	17	73.9 Å²	73.9	8%	0.075	37%	0.368	C	S	.	.			trans	-153	150.6	174	60.9	-89.7	0	0	0	110.9	R624 V627 R628 L633 L641 V678 R679 I680	R624-F639 HydrophobicContact CB-CE2 4.37Å; R624-F639 HydrophobicContact CB-CZ 4.15Å; R624-F639 HydrophobicContact CG-CE2 4.18Å; R624-F639 HydrophobicContact CG-CZ 4.4Å; R624-F639 PolarHBondContact NH1-O 3.49Å; R624-F639 VanDerWaalsContact NH1-O 3.12Å; V627-F639 HydrophobicContact CB-CE2 4.17Å; V627-F639 HydrophobicContact CB-CZ 4.25Å; V627-F639 HydrophobicContact CG1-CD2 4.17Å; V627-F639 HydrophobicContact CG1-CE2 3.63Å; V627-F639 HydrophobicContact CG1-CZ 3.85Å; R628-F639 HydrophobicContact CG-CE1 3.63Å; R628-F639 HydrophobicContact CG-CZ 3.95Å; L633-F639 HydrophobicContact CD1-CD1 3.69Å; L633-F639 HydrophobicContact CD1-CE1 3.93Å; L633-F639 HydrophobicContact CD1-CG 4.24Å; F639-L641 HydrophobicContact CD2-CD2 3.85Å; F639-L641 HydrophobicContact CD2-CG 4.12Å; F639-L641 HydrophobicContact CE2-CD1 4.34Å; F639-L641 HydrophobicContact CE2-CD2 3.83Å; F639-L641 HydrophobicContact CE2-CG 3.98Å; F639-V678 HydrophobicContact CB-CG1 4.03Å; F639-V678 HydrophobicContact CD2-CG1 3.74Å; F639-V678 HydrophobicContact CE2-CG1 4.43Å; F639-V678 HydrophobicContact CG-CG1 3.95Å; F639-R679 CarbonylContact C-O 3.5Å; F639-R679 WeakPolarHBondContact CA-O 3.42Å; F639-R679 VanDerWaalsContact CB-O 3.27Å; F639-R679 WeakPolarHBondContact CB-O 3.25Å; F639-I680 HydrophobicContact CB-CG1 3.99Å
640	E	94.7	Very high	83.1	Confident	107 Å²	107	68.5 Å²	68.5	50%	0.5	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	148.7	173.4	-65.8	179.7	171.8	0	0	110.1	Y642 R679	E640-Y642 HydrophobicContact CB-CD2 4.21Å; E640-Y642 HydrophobicContact CB-CE2 3.51Å; E640-Y642 VanDerWaalsContact OE2-CE2 3.3Å; E640-Y642 WeakPolarHBondContact OE2-CE2 3.23Å; E640-Y642 PolarHBondContact OE2-OH 2.96Å; E640-R679 PolarHBondContact N-O 3.06Å; E640-R679 PolarHBondContact O-N 3.35Å
641	L	95.4	Very high	81.4	Confident	3 Å²	3	73.6 Å²	73.6	2%	0.016	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.3	179.3	-67.4	-176.9	0	0	0	108.8	L623 R624 V627 F639 L658 I676 F677 V678	L623-L641 HydrophobicContact CD2-CD1 3.99Å; L623-L641 HydrophobicContact CG-CD1 4.13Å; R624-L641 HydrophobicContact CG-CD1 3.67Å; V627-L641 HydrophobicContact CG1-CD2 4.3Å; V627-L641 HydrophobicContact CG2-CD2 4.12Å; F639-L641 HydrophobicContact CD2-CD2 3.85Å; F639-L641 HydrophobicContact CD2-CG 4.12Å; F639-L641 HydrophobicContact CE2-CD1 4.34Å; F639-L641 HydrophobicContact CE2-CD2 3.83Å; F639-L641 HydrophobicContact CE2-CG 3.98Å; L641-L658 HydrophobicContact CB-CB 3.85Å; L641-L658 HydrophobicContact CB-CD1 4.16Å; L641-L658 HydrophobicContact CB-CG 4.34Å; L641-L658 PolarHBondContact O-N 3.05Å; L641-I676 HydrophobicContact CD2-CG2 4.05Å; L641-F677 WeakPolarHBondContact CA-O 3.41Å; L641-V678 HydrophobicContact CD2-CB 4.29Å; L641-V678 HydrophobicContact CD2-CG1 4.32Å; L641-V678 HydrophobicContact CD2-CG2 3.75Å
642	Y	94.1	Very high	79.7	Confident	50 Å²	50	76.3 Å²	76.3	20%	0.196	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.7	176.7	-67.9	-92.7	0	0	0	109.7	E640 E655 I656 P657 I676 F677 R679	E640-Y642 HydrophobicContact CB-CD2 4.21Å; E640-Y642 HydrophobicContact CB-CE2 3.51Å; E640-Y642 VanDerWaalsContact OE2-CE2 3.3Å; E640-Y642 WeakPolarHBondContact OE2-CE2 3.23Å; E640-Y642 PolarHBondContact OE2-OH 2.96Å; Y642-E655 HydrophobicContact CD1-CB 4.1Å; Y642-I656 CarbonylContact C-O 3.58Å; Y642-I656 WeakPolarHBondContact CA-O 3.37Å; Y642-P657 HydrophobicContact CD1-CB 4.25Å; Y642-P657 HydrophobicContact CE1-CB 4.01Å; Y642-I676 CarbonylContact O-C 3.59Å; Y642-I676 WeakPolarHBondContact O-CA 2.97Å; Y642-F677 PolarHBondContact N-O 3.14Å; Y642-F677 PolarHBondContact O-N 3.2Å; Y642-R679 HydrophobicContact CD2-CG 4.3Å
643	A	91.8	Very high	78.4	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.008	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	142.6	173	0	0	0	0	0	111.1	E655 I656 L658 L670 Y675	A643-E655 WeakPolarHBondContact O-CA 3.33Å; A643-I656 HydrophobicContact CB-CB 4.48Å; A643-I656 PolarHBondContact N-O 3.04Å; A643-I656 PolarHBondContact O-N 2.95Å; A643-L658 HydrophobicContact CB-CD1 4.16Å; A643-L658 HydrophobicContact CB-CD2 3.8Å; A643-L658 HydrophobicContact CB-CG 4.08Å; A643-L670 HydrophobicContact CB-CD1 4.05Å; A643-L670 HydrophobicContact CB-CD2 3.66Å; A643-L670 HydrophobicContact CB-CG 4.38Å; A643-Y675 CarbonylContact C-O 3.55Å; A643-Y675 WeakPolarHBondContact CA-O 3.39Å
644	Q	87.7	Confident	77.5	Confident	10 Å²	10	79.2 Å²	79.2	5%	0.047	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	121	172	-175	-174.2	52.7	0	0	109.5	N653 Y675 F677	Q644-N653 PolarHBondContact NE2-OD1 3.3Å; Q644-Y675 PolarHBondContact N-O 2.81Å; Q644-Y675 PolarHBondContact O-N 2.88Å; Q644-F677 HydrophobicContact CB-CD2 4.36Å; Q644-F677 HydrophobicContact CB-CE2 3.78Å
645	S	78.1	Confident	77.4	Confident	19 Å²	19	79.4 Å²	79.4	13%	0.133	42%	0.421	C	S	.	.			trans	-75.1	136.6	176.7	-176.1	0	0	0	0	112	R647 H648 D674	S645-R647 PolarHBondContact O-N 2.89Å; S645-R647 PolarHBondContact OG-N 3.39Å; S645-H648 PolarHBondContact O-N 3.36Å; S645-H648 VanDerWaalsContact O-N 3.09Å; S645-D674 VanDerWaalsContact CA-CG 3.49Å; S645-D674 WeakPolarHBondContact CA-OD1 3.41Å; S645-D674 PolarHBondContact OG-OD1 3.49Å; S645-D674 PolarHBondContact OG-OD2 3.47Å
646	G	68.7	Low	77.5	Confident	36 Å²	36	77.2 Å²	77.2	37%	0.371	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-57.4	-28.9	172.1	0	0	0	0	0	112.5	H648 D674	G646-H648 PolarHBondContact O-N 2.67Å; G646-D674 PolarHBondContact N-OD1 2.95Å
647	R	63.1	Low	77.8	Confident	168 Å²	168	70.5 Å²	70.5	63%	0.634	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-65.2	-19.8	176.7	-65.3	-172.8	-178.9	-172	-0.2	113.7	S645 E671	S645-R647 PolarHBondContact O-N 2.89Å; S645-R647 PolarHBondContact OG-N 3.39Å; R647-E671 IonicContact CZ-OE1 2.9Å; R647-E671 IonicContact CZ-OE2 3.01Å; R647-E671 IonicContact NE-OE1 3.37Å; R647-E671 PolarHBondContact NE-OE1 3.33Å; R647-E671 IonicContact NE-OE2 2.75Å; R647-E671 PolarHBondContact NE-OE2 2.89Å; R647-E671 IonicContact NH1-OE1 3.41Å; R647-E671 PolarHBondContact NH1-OE1 2.85Å; R647-E671 IonicContact NH2-OE1 2.62Å; R647-E671 PolarHBondContact NH2-OE1 3.33Å; R647-E671 IonicContact NH2-OE2 2.72Å; R647-E671 PolarHBondContact NH2-OE2 2.97Å
648	H	57.5	Low	77.9	Confident	94 Å²	94	69.1 Å²	69.1	44%	0.435	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-108.1	-5.7	-174.8	-63.1	-52.2	0	0	0	114.8	S645 G646 G650 I651 V652	S645-H648 PolarHBondContact O-N 3.36Å; S645-H648 VanDerWaalsContact O-N 3.09Å; G646-H648 PolarHBondContact O-N 2.67Å; H648-G650 PolarHBondContact O-N 3.36Å; H648-I651 PolarHBondContact O-N 3.47Å; H648-V652 CarbonylContact O-C 3.41Å; H648-V652 PolarHBondContact O-N 3.01Å
649	R	58.3	Low	77.9	Confident	106 Å²	106	67.4 Å²	67.4	40%	0.4	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-25	-177.1	-79.3	-176.7	159.7	-152	-13.5	115.7	Y675	R649-Y675 PolarHBondContact NH1-OH 2.83Å
650	G	55	Low	77.9	Confident	78 Å²	78	68.9 Å²	68.9	80%	0.804	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-10.2	179.5	0	0	0	0	0	115.6	H648	H648-G650 PolarHBondContact O-N 3.36Å
651	I	56	Low	77.7	Confident	148 Å²	148	67 Å²	67	76%	0.759	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.4	-43	-165	-52.9	177.8	0	0	0	112.1	H648	H648-I651 PolarHBondContact O-N 3.47Å
652	V	55.8	Low	77.4	Confident	76 Å²	76	72.6 Å²	72.6	46%	0.461	40%	0.4	S	S	.	.			trans	-146.9	119.6	177.3	-162.4	0	0	0	0	108.6	H648 T654	H648-V652 CarbonylContact O-C 3.41Å; H648-V652 PolarHBondContact O-N 3.01Å; V652-T654 WeakPolarHBondContact CG1-OG1 3.36Å; V652-T654 PolarHBondContact O-N 2.83Å
653	N	62.8	Low	77.3	Confident	128 Å²	128	75.1 Å²	75.1	68%	0.684	41%	0.409	S	S	*	.			trans	-73.1	54.3	171.2	-92.8	-13.3	0	0	0	110.8	Q644 E655	Q644-N653 PolarHBondContact NE2-OD1 3.3Å; N653-E655 PolarHBondContact O-N 3.49Å
654	T	71.8	Confident	77.3	Confident	75 Å²	75	79.6 Å²	79.6	46%	0.46	43%	0.43	S	S	.	.			trans	-80	111.4	176.4	-51.5	0	0	0	0	108.7	V652	V652-T654 WeakPolarHBondContact CG1-OG1 3.36Å; V652-T654 PolarHBondContact O-N 2.83Å
655	E	86.7	Confident	77.3	Confident	61 Å²	61	79.2 Å²	79.2	29%	0.285	43%	0.428	S	S	.	.			trans	-93.5	132.3	168.1	-69.5	175.3	165	0	0	108.9	Y642 A643 N653 R679	Y642-E655 HydrophobicContact CD1-CB 4.1Å; A643-E655 WeakPolarHBondContact O-CA 3.33Å; N653-E655 PolarHBondContact O-N 3.49Å; E655-R679 IonicContact OE1-CZ 3.7Å; E655-R679 IonicContact OE1-NH2 2.68Å; E655-R679 PolarHBondContact OE1-NH2 3.19Å; E655-R679 IonicContact OE2-CZ 3.08Å; E655-R679 IonicContact OE2-NH1 2.68Å; E655-R679 PolarHBondContact OE2-NH1 3.16Å; E655-R679 IonicContact OE2-NH2 2.72Å; E655-R679 PolarHBondContact OE2-NH2 3.19Å
656	I	88.6	Confident	77.5	Confident	73 Å²	73	79.9 Å²	79.9	37%	0.374	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.7	-179.2	-55.7	172.7	0	0	0	107.6	Y642 A643 L658 Y668	Y642-I656 CarbonylContact C-O 3.58Å; Y642-I656 WeakPolarHBondContact CA-O 3.37Å; A643-I656 HydrophobicContact CB-CB 4.48Å; A643-I656 PolarHBondContact N-O 3.04Å; A643-I656 PolarHBondContact O-N 2.95Å; I656-L658 PolarHBondContact O-N 3.07Å; I656-Y668 HydrophobicContact CG2-CD1 3.88Å; I656-Y668 HydrophobicContact CG2-CE1 4.22Å
657	P	92.7	Very high	78.4	Confident	56 Å²	56	84 Å²	84	36%	0.364	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	133.9	176.4	25.8	-32.1	0	0	0	110.7	Y642 D659	Y642-P657 HydrophobicContact CD1-CB 4.25Å; Y642-P657 HydrophobicContact CE1-CB 4.01Å; P657-D659 HydrophobicContact CB-CB 4.43Å; P657-D659 PolarHBondContact O-N 2.75Å
658	L	93.3	Very high	79.5	Confident	2 Å²	2	77.1 Å²	77.1	1%	0.01	42%	0.42	C	S	.	.			trans	-97.5	66.2	172.2	-54.5	-176.9	0	0	0	108.6	I620 L623 R624 L641 A643 I656 Y668 I676	I620-L658 HydrophobicContact CD1-CB 4.11Å; I620-L658 HydrophobicContact CD1-CD1 4.18Å; I620-L658 HydrophobicContact CD1-CD2 4.35Å; I620-L658 HydrophobicContact CD1-CG 4.46Å; I620-L658 HydrophobicContact CG1-CB 4.46Å; I620-L658 HydrophobicContact CG2-CB 4.22Å; I620-L658 WeakPolarHBondContact CG2-O 3.22Å; L623-L658 HydrophobicContact CD2-CD1 3.99Å; R624-L658 PolarHBondContact NH2-O 3.12Å; L641-L658 HydrophobicContact CB-CB 3.85Å; L641-L658 HydrophobicContact CB-CD1 4.16Å; L641-L658 HydrophobicContact CB-CG 4.34Å; L641-L658 PolarHBondContact O-N 3.05Å; A643-L658 HydrophobicContact CB-CD1 4.16Å; A643-L658 HydrophobicContact CB-CD2 3.8Å; A643-L658 HydrophobicContact CB-CG 4.08Å; I656-L658 PolarHBondContact O-N 3.07Å; L658-Y668 HydrophobicContact CD2-CD1 3.4Å; L658-Y668 HydrophobicContact CD2-CD2 3.63Å; L658-Y668 HydrophobicContact CD2-CE1 3.47Å; L658-Y668 VanDerWaalsContact CD2-CE1 3.47Å; L658-Y668 HydrophobicContact CD2-CE2 3.72Å; L658-Y668 HydrophobicContact CD2-CG 3.46Å; L658-Y668 VanDerWaalsContact CD2-CG 3.46Å; L658-I676 HydrophobicContact CD1-CD1 4.28Å; L658-I676 HydrophobicContact CD1-CG1 4.35Å; L658-I676 HydrophobicContact CD1-CG2 4.38Å
659	D	91.3	Very high	80.7	Confident	108 Å²	108	78.6 Å²	78.6	58%	0.578	43%	0.431	S	S	*	.			trans	-98	-8	-170.5	59.4	-11.4	0	0	0	114.3	P657	P657-D659 HydrophobicContact CB-CB 4.43Å; P657-D659 PolarHBondContact O-N 2.75Å
660	V	92.3	Very high	82	Confident	47 Å²	47	74.1 Å²	74.1	29%	0.285	42%	0.415	S	S	.	.			trans	-103	96.8	179.3	-168.8	0	0	0	0	111.3	I620 T662 R663	I620-V660 WeakPolarHBondContact CB-O 3.42Å; V660-T662 PolarHBondContact O-N 3.46Å; V660-T662 VanDerWaalsContact O-N 3.11Å; V660-R663 HydrophobicContact CB-CB 4.29Å; V660-R663 HydrophobicContact CB-CG 3.9Å; V660-R663 HydrophobicContact CG1-CB 4.36Å; V660-R663 HydrophobicContact CG1-CG 3.66Å; V660-R663 PolarHBondContact O-N 3.41Å
661	D	91.7	Very high	83.4	Confident	69 Å²	69	73.4 Å²	73.4	37%	0.369	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.9	-172.7	-78.2	-18.1	0	0	0	115.5	I620 N621 R624	I620-D661 PolarHBondContact N-O 2.81Å; N621-D661 HydrophobicContact CB-CB 4.13Å; N621-D661 WeakPolarHBondContact CB-O 3.45Å; N621-D661 PolarHBondContact N-O 2.89Å; R624-D661 WeakPolarHBondContact CD-OD1 3.41Å; R624-D661 IonicContact CZ-OD1 3.87Å; R624-D661 IonicContact NE-OD1 2.86Å; R624-D661 PolarHBondContact NE-OD1 3.02Å
662	T	89.3	Confident	84.9	Confident	120 Å²	120	71.1 Å²	71.1	74%	0.736	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-12.1	179.6	56	0	0	0	0	113.9	V660	V660-T662 PolarHBondContact O-N 3.46Å; V660-T662 VanDerWaalsContact O-N 3.11Å
663	R	91	Very high	86.5	Confident	103 Å²	103	71.5 Å²	71.5	39%	0.389	38%	0.379	S	S	.	.	S	Bend	trans	-76.6	147.7	178.6	-74.3	-174.7	-175.4	-164.4	-0.5	111	T619 I620 V660 F667 Y668	T619-R663 CarbonylContact C-O 3.46Å; T619-R663 WeakPolarHBondContact CA-O 3.39Å; I620-R663 WeakPolarHBondContact CG1-O 3.01Å; I620-R663 PolarHBondContact N-O 2.91Å; V660-R663 HydrophobicContact CB-CB 4.29Å; V660-R663 HydrophobicContact CB-CG 3.9Å; V660-R663 HydrophobicContact CG1-CB 4.36Å; V660-R663 HydrophobicContact CG1-CG 3.66Å; V660-R663 PolarHBondContact O-N 3.41Å; R663-F667 HydrophobicContact CB-CB 4.44Å; R663-F667 HydrophobicContact CG-CG 4.49Å; R663-Y668 HydrophobicContact CB-CE2 4.11Å
664	E	90.8	Very high	87.9	Confident	95 Å²	95	65.6 Å²	65.6	44%	0.444	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-80.4	151.4	172.8	-61.8	-177.1	177.6	0	0	110.7	M618 T619 G666 F667	M618-E664 CarbonylContact O-C 3.57Å; M618-E664 WeakPolarHBondContact O-CA 3.39Å; T619-E664 HydrophobicContact CG2-CG 4.49Å; E664-G666 PolarHBondContact O-N 3.14Å; E664-F667 WeakPolarHBondContact O-CB 3.46Å; E664-F667 PolarHBondContact O-N 3.35Å
665	I	88.6	Confident	88.8	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-56.9	-37.8	177.4	-68.4	172.1	0	0	0	111.4	L580 I614 S616 M618 I620 L623 F667 Y668 L670	L580-I665 HydrophobicContact CD1-CG2 4.12Å; I614-I665 HydrophobicContact CD1-CD1 3.31Å; I614-I665 HydrophobicContact CG1-CD1 4.14Å; S616-I665 PolarHBondContact O-N 3.33Å; M618-I665 HydrophobicContact CB-CD1 3.87Å; M618-I665 HydrophobicContact CG-CD1 4.14Å; M618-I665 VanDerWaalsContact O-CG1 3.32Å; M618-I665 WeakPolarHBondContact O-CG1 3.36Å; M618-I665 PolarHBondContact O-N 2.99Å; M618-I665 HydrophobicContact SD-CD1 4.27Å; I620-I665 HydrophobicContact CD1-CG1 4.04Å; L623-I665 HydrophobicContact CB-CD1 4.21Å; L623-I665 HydrophobicContact CD1-CD1 3.91Å; L623-I665 HydrophobicContact CD2-CD1 4.01Å; L623-I665 HydrophobicContact CD2-CG1 4.14Å; L623-I665 HydrophobicContact CG-CD1 4.26Å; I665-F667 PolarHBondContact O-N 2.88Å; I665-F667 VanDerWaalsContact O-N 3.15Å; I665-Y668 PolarHBondContact O-N 3.24Å; I665-L670 HydrophobicContact CG2-CD1 3.95Å
666	G	83.1	Confident	89.2	Confident	34 Å²	34	60.2 Å²	60.2	35%	0.351	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-59.8	-22.8	177	0	0	0	0	0	113.9	S616 E664 Y668 N669	S616-G666 PolarHBondContact O-N 2.84Å; E664-G666 PolarHBondContact O-N 3.14Å; G666-Y668 PolarHBondContact O-N 2.87Å; G666-N669 PolarHBondContact O-N 3.28Å
667	F	86.1	Confident	89.4	Confident	122 Å²	122	57.4 Å²	57.4	54%	0.535	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-59.4	-34.5	173.6	179	-87.1	0	0	0	112.2	R663 E664 I665 N669	R663-F667 HydrophobicContact CB-CB 4.44Å; R663-F667 HydrophobicContact CG-CG 4.49Å; E664-F667 WeakPolarHBondContact O-CB 3.46Å; E664-F667 PolarHBondContact O-N 3.35Å; I665-F667 PolarHBondContact O-N 2.88Å; I665-F667 VanDerWaalsContact O-N 3.15Å; F667-N669 PolarHBondContact O-N 3.24Å
668	Y	86.2	Confident	89.5	Confident	24 Å²	24	54.7 Å²	54.7	9%	0.094	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-85.3	5.1	-176.2	-61.4	-87.2	0	0	0	113.3	I620 I656 L658 R663 I665 G666 L670	I620-Y668 HydrophobicContact CD1-CD2 4.21Å; I620-Y668 HydrophobicContact CD1-CE2 3.73Å; I620-Y668 HydrophobicContact CG1-CE2 3.78Å; I656-Y668 HydrophobicContact CG2-CD1 3.88Å; I656-Y668 HydrophobicContact CG2-CE1 4.22Å; L658-Y668 HydrophobicContact CD2-CD1 3.4Å; L658-Y668 HydrophobicContact CD2-CD2 3.63Å; L658-Y668 HydrophobicContact CD2-CE1 3.47Å; L658-Y668 VanDerWaalsContact CD2-CE1 3.47Å; L658-Y668 HydrophobicContact CD2-CE2 3.72Å; L658-Y668 HydrophobicContact CD2-CG 3.46Å; L658-Y668 VanDerWaalsContact CD2-CG 3.46Å; R663-Y668 HydrophobicContact CB-CE2 4.11Å; I665-Y668 PolarHBondContact O-N 3.24Å; G666-Y668 PolarHBondContact O-N 2.87Å; Y668-L670 PolarHBondContact O-N 3.2Å
669	N	83.7	Confident	89.5	Confident	125 Å²	125	57.8 Å²	57.8	67%	0.668	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	38.7	177.8	-154.6	38.2	0	0	0	113.5	G666 F667	G666-N669 PolarHBondContact O-N 3.28Å; F667-N669 PolarHBondContact O-N 3.24Å
670	L	85.6	Confident	89.4	Confident	12 Å²	12	56 Å²	56	6%	0.063	29%	0.286	C	S	.	.			trans	-74.3	141.9	178.5	-65.8	169.3	0	0	0	110.9	I578 L580 A643 I665 Y668 D674 I676	I578-L670 WeakPolarHBondContact CD1-O 3.42Å; L580-L670 HydrophobicContact CD1-CD1 4.09Å; L580-L670 HydrophobicContact CD2-CB 4.09Å; A643-L670 HydrophobicContact CB-CD1 4.05Å; A643-L670 HydrophobicContact CB-CD2 3.66Å; A643-L670 HydrophobicContact CB-CG 4.38Å; I665-L670 HydrophobicContact CG2-CD1 3.95Å; Y668-L670 PolarHBondContact O-N 3.2Å; L670-D674 WeakPolarHBondContact CA-OD2 3.41Å; L670-D674 HydrophobicContact CB-CB 4.46Å; L670-D674 HydrophobicContact CD2-CB 3.98Å; L670-I676 HydrophobicContact CD1-CD1 4.42Å
671	E	85.3	Confident	89.2	Confident	62 Å²	62	56.5 Å²	56.5	29%	0.29	29%	0.286	S	S	.	.			trans	-114.1	171.5	-179.6	-60.4	-170.6	168.1	0	0	111.7	I578 L580 R647 D673 D674	I578-E671 VanDerWaalsContact CG2-C 3.5Å; I578-E671 WeakPolarHBondContact CG2-O 3.33Å; L580-E671 VanDerWaalsContact CD2-O 3.27Å; L580-E671 WeakPolarHBondContact CD2-O 3.48Å; R647-E671 IonicContact CZ-OE1 2.9Å; R647-E671 IonicContact CZ-OE2 3.01Å; R647-E671 IonicContact NE-OE1 3.37Å; R647-E671 PolarHBondContact NE-OE1 3.33Å; R647-E671 IonicContact NE-OE2 2.75Å; R647-E671 PolarHBondContact NE-OE2 2.89Å; R647-E671 IonicContact NH1-OE1 3.41Å; R647-E671 PolarHBondContact NH1-OE1 2.85Å; R647-E671 IonicContact NH2-OE1 2.62Å; R647-E671 PolarHBondContact NH2-OE1 3.33Å; R647-E671 IonicContact NH2-OE2 2.72Å; R647-E671 PolarHBondContact NH2-OE2 2.97Å; E671-D673 PolarHBondContact O-N 2.86Å; E671-D674 PolarHBondContact N-OD2 3.11Å; E671-D674 VanDerWaalsContact O-CB 3.31Å; E671-D674 WeakPolarHBondContact O-CB 3.46Å; E671-D674 PolarHBondContact O-N 3.26Å; E671-D674 VanDerWaalsContact O-N 3.15Å
672	N	87.6	Confident	89.1	Confident	100 Å²	100	55.8 Å²	55.8	54%	0.535	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	135.2	173.3	-69.1	-44.4	0	0	0	110	S579 D674	S579-N672 PolarHBondContact N-OD1 2.89Å; S579-N672 CarbonylContact O-C 3.57Å; S579-N672 WeakPolarHBondContact O-CA 3.29Å; N672-D674 VanDerWaalsContact C-N 3.26Å; N672-D674 PolarHBondContact O-N 3.47Å
673	D	88.9	Confident	89.1	Confident	84 Å²	84	52.2 Å²	52.2	45%	0.449	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	11	-178.8	-50.2	-52.1	0	0	0	115.7	S579 I581 Q611 E671 Y675	S579-D673 PolarHBondContact O-N 3.14Å; I581-D673 HydrophobicContact CD1-CB 4.18Å; Q611-D673 PolarHBondContact NE2-OD1 2.84Å; E671-D673 PolarHBondContact O-N 2.86Å; D673-Y675 WeakPolarHBondContact O-CD2 3.42Å; D673-Y675 WeakPolarHBondContact O-CE2 3.33Å
674	D	90.9	Very high	89	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	25%	0.248	C	C	.	.			trans	-68.5	158.1	165.3	-75.1	-6	0	0	0	111.6	L580 I581 S645 G646 L670 E671 N672	L580-D674 HydrophobicContact CD2-CB 3.92Å; I581-D674 PolarHBondContact N-O 3.21Å; S645-D674 VanDerWaalsContact CA-CG 3.49Å; S645-D674 WeakPolarHBondContact CA-OD1 3.41Å; S645-D674 PolarHBondContact OG-OD1 3.49Å; S645-D674 PolarHBondContact OG-OD2 3.47Å; G646-D674 PolarHBondContact N-OD1 2.95Å; L670-D674 WeakPolarHBondContact CA-OD2 3.41Å; L670-D674 HydrophobicContact CB-CB 4.46Å; L670-D674 HydrophobicContact CD2-CB 3.98Å; E671-D674 PolarHBondContact N-OD2 3.11Å; E671-D674 VanDerWaalsContact O-CB 3.31Å; E671-D674 WeakPolarHBondContact O-CB 3.46Å; E671-D674 PolarHBondContact O-N 3.26Å; E671-D674 VanDerWaalsContact O-N 3.15Å; N672-D674 VanDerWaalsContact C-N 3.26Å; N672-D674 PolarHBondContact O-N 3.47Å
675	Y	92	Very high	88.9	Confident	23 Å²	23	46.4 Å²	46.4	9%	0.09	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.7	-170.6	-68.3	-100.4	0	0	0	111.4	I581 I583 A643 Q644 R649 D673	I581-Y675 HydrophobicContact CB-CD1 3.81Å; I581-Y675 HydrophobicContact CB-CE1 3.82Å; I581-Y675 HydrophobicContact CB-CG 4.37Å; I581-Y675 HydrophobicContact CD1-CE1 3.87Å; I581-Y675 HydrophobicContact CD1-CE2 4Å; I581-Y675 HydrophobicContact CG1-CE1 4.46Å; I581-Y675 HydrophobicContact CG2-CD1 3.73Å; I581-Y675 HydrophobicContact CG2-CE1 3.52Å; I581-Y675 CarbonylContact O-C 3.52Å; I581-Y675 VanDerWaalsContact O-CA 3.26Å; I581-Y675 WeakPolarHBondContact O-CA 3.49Å; I583-Y675 HydrophobicContact CD1-CD1 3.39Å; I583-Y675 HydrophobicContact CD1-CE1 3.71Å; I583-Y675 HydrophobicContact CG1-CD1 4.03Å; A643-Y675 CarbonylContact C-O 3.55Å; A643-Y675 WeakPolarHBondContact CA-O 3.39Å; Q644-Y675 PolarHBondContact N-O 2.81Å; Q644-Y675 PolarHBondContact O-N 2.88Å; R649-Y675 PolarHBondContact NH1-OH 2.83Å; D673-Y675 WeakPolarHBondContact O-CD2 3.42Å; D673-Y675 WeakPolarHBondContact O-CE2 3.33Å
676	I	94	Very high	88.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	111.5	165.3	-65.8	176.1	0	0	0	107.7	L580 I581 F582 I583 L623 L641 Y642 L658 L670	L580-I676 HydrophobicContact CB-CD1 4.46Å; L580-I676 HydrophobicContact CD1-CD1 3.43Å; L580-I676 VanDerWaalsContact CD1-CD1 3.43Å; L580-I676 HydrophobicContact CD1-CG1 4.21Å; I581-I676 PolarHBondContact O-N 3.32Å; F582-I676 CarbonylContact C-O 3.53Å; F582-I676 VanDerWaalsContact CA-O 3.26Å; F582-I676 WeakPolarHBondContact CA-O 3.22Å; F582-I676 HydrophobicContact CD1-CB 3.85Å; F582-I676 HydrophobicContact CD1-CD1 4.44Å; F582-I676 HydrophobicContact CD1-CG2 3.9Å; F582-I676 HydrophobicContact CE1-CB 3.97Å; F582-I676 HydrophobicContact CE1-CD1 3.69Å; F582-I676 HydrophobicContact CE1-CG1 4.4Å; F582-I676 HydrophobicContact CE1-CG2 3.98Å; F582-I676 HydrophobicContact CZ-CD1 3.9Å; I583-I676 PolarHBondContact N-O 3.19Å; L623-I676 HydrophobicContact CD1-CD1 4.37Å; L623-I676 HydrophobicContact CD2-CD1 3.99Å; L641-I676 HydrophobicContact CD2-CG2 4.05Å; Y642-I676 CarbonylContact O-C 3.59Å; Y642-I676 WeakPolarHBondContact O-CA 2.97Å; L658-I676 HydrophobicContact CD1-CD1 4.28Å; L658-I676 HydrophobicContact CD1-CG1 4.35Å; L658-I676 HydrophobicContact CD1-CG2 4.38Å; L670-I676 HydrophobicContact CD1-CD1 4.42Å
677	F	93.3	Very high	89.3	Confident	14 Å²	14	50.5 Å²	50.5	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	128.9	172.2	-62.8	-81.7	0	0	0	110	I583 Q585 L641 Y642 Q644	I583-F677 HydrophobicContact CB-CD1 3.74Å; I583-F677 HydrophobicContact CB-CE1 3.98Å; I583-F677 HydrophobicContact CD1-CD1 4.4Å; I583-F677 HydrophobicContact CD1-CE1 3.75Å; I583-F677 HydrophobicContact CD1-CZ 4.35Å; I583-F677 HydrophobicContact CG1-CE1 4.38Å; I583-F677 HydrophobicContact CG2-CD1 3.89Å; I583-F677 HydrophobicContact CG2-CE1 4.04Å; I583-F677 CarbonylContact O-C 3.3Å; I583-F677 WeakPolarHBondContact O-CA 3.32Å; Q585-F677 HydrophobicContact CG-CD1 4.13Å; L641-F677 WeakPolarHBondContact CA-O 3.41Å; Y642-F677 PolarHBondContact N-O 3.14Å; Y642-F677 PolarHBondContact O-N 3.2Å; Q644-F677 HydrophobicContact CB-CD2 4.36Å; Q644-F677 HydrophobicContact CB-CE2 3.78Å
678	V	94.5	Very high	89.5	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	102.7	173.4	-175	0	0	0	0	106.7	I583 L584 Q585 V627 F631 L633 F639 L641	I583-V678 PolarHBondContact O-N 3.3Å; L584-V678 WeakPolarHBondContact CA-O 3.13Å; L584-V678 HydrophobicContact CD1-CB 3.8Å; L584-V678 HydrophobicContact CD1-CG1 3.64Å; Q585-V678 PolarHBondContact N-O 3.43Å; V627-V678 HydrophobicContact CG1-CB 4.24Å; V627-V678 HydrophobicContact CG1-CG1 3.55Å; V627-V678 HydrophobicContact CG1-CG2 3.62Å; V627-V678 HydrophobicContact CG2-CG2 4.2Å; F631-V678 HydrophobicContact CD2-CG2 4.21Å; F631-V678 HydrophobicContact CE2-CB 4.47Å; F631-V678 HydrophobicContact CE2-CG2 3.75Å; L633-V678 HydrophobicContact CD1-CG1 4.26Å; F639-V678 HydrophobicContact CB-CG1 4.03Å; F639-V678 HydrophobicContact CD2-CG1 3.74Å; F639-V678 HydrophobicContact CE2-CG1 4.43Å; F639-V678 HydrophobicContact CG-CG1 3.95Å; L641-V678 HydrophobicContact CD2-CB 4.29Å; L641-V678 HydrophobicContact CD2-CG1 4.32Å; L641-V678 HydrophobicContact CD2-CG2 3.75Å
679	R	93	Very high	89.8	Confident	66 Å²	66	46.8 Å²	46.8	25%	0.249	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	116.1	-177.1	-69.9	-177.8	173.9	155.3	-0.6	110.1	Q585 F639 E640 Y642 E655	Q585-R679 HydrophobicContact CB-CG 4.12Å; Q585-R679 WeakPolarHBondContact O-CA 3.33Å; F639-R679 CarbonylContact C-O 3.5Å; F639-R679 WeakPolarHBondContact CA-O 3.42Å; F639-R679 VanDerWaalsContact CB-O 3.27Å; F639-R679 WeakPolarHBondContact CB-O 3.25Å; E640-R679 PolarHBondContact N-O 3.06Å; E640-R679 PolarHBondContact O-N 3.35Å; Y642-R679 HydrophobicContact CD2-CG 4.3Å; E655-R679 IonicContact OE1-CZ 3.7Å; E655-R679 IonicContact OE1-NH2 2.68Å; E655-R679 PolarHBondContact OE1-NH2 3.19Å; E655-R679 IonicContact OE2-CZ 3.08Å; E655-R679 IonicContact OE2-NH1 2.68Å; E655-R679 PolarHBondContact OE2-NH1 3.16Å; E655-R679 IonicContact OE2-NH2 2.72Å; E655-R679 PolarHBondContact OE2-NH2 3.19Å
680	I	89.2	Confident	90.4	Very high	71 Å²	71	39.6 Å²	39.6	36%	0.364	19%	0.193	S	C	.	.			trans	-98.2	0	177.2	-61.3	171.2	0	0	0	110.3	L584 Q585 N587 L633 T637 F639	L584-I680 HydrophobicContact CD1-CD1 3.5Å; L584-I680 HydrophobicContact CD1-CG1 4.05Å; L584-I680 HydrophobicContact CD2-CD1 4.3Å; L584-I680 HydrophobicContact CG-CD1 4.17Å; Q585-I680 PolarHBondContact O-N 3.26Å; N587-I680 PolarHBondContact N-O 3.3Å; L633-I680 HydrophobicContact CD1-CD1 4.09Å; L633-I680 HydrophobicContact CD2-CD1 3.5Å; L633-I680 VanDerWaalsContact CD2-CD1 3.5Å; L633-I680 HydrophobicContact CG-CD1 4.44Å; T637-I680 HydrophobicContact CG2-CB 4.43Å; T637-I680 HydrophobicContact CG2-CD1 3.96Å; T637-I680 HydrophobicContact CG2-CG1 4Å; T637-I680 HydrophobicContact CG2-CG2 3.57Å; F639-I680 HydrophobicContact CB-CG1 3.99Å

Retrieved 680 of 680 residues in 201.6 ms (Link to these results)

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