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Squalene monooxygenase

Catalyzes the stereospecific oxidation of squalene to (S)-2,3-epoxysqualene, and is considered to be a rate-limiting enzyme in steroid biosynthesis.

AlphaFold DB (A0A0D9RCQ9), UniProt , Accession A0A096N5E7, Species PAPAN (Papio anubis, Olive baboon), Gene SQLE, Length 574 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	47.3	Very low	56.4	Low	208 Å²	208	122.2 Å²	122.2	100%	1.025	64%	0.636	S	S	*	*				0	-39.1	0	-93.4	173.3	67.1	0	0	113.8
2	W	45.8	Very low	57.1	Low	225 Å²	225	124.3 Å²	124.3	85%	0.852	63%	0.631	S	S	*	*	H	α-helix	trans	-74.9	-26.7	-176.3	-68.4	90.9	0	0	0	116	G6	W2-G6 PolarHBondContact O-N 3.05Å
3	T	52.5	Low	57.3	Low	106 Å²	106	125.4 Å²	125.4	65%	0.65	63%	0.629	S	S	*	*	H	α-helix	trans	-71	-33.3	177.1	42.2	0	0	0	0	113.2	I7	T3-I7 WeakPolarHBondContact O-CG1 3.5Å; T3-I7 PolarHBondContact O-N 3.08Å
4	F	52.3	Low	57.5	Low	174 Å²	174	128.9 Å²	128.9	76%	0.763	63%	0.633	S	S	*	*	H	α-helix	trans	-72	-35.6	177.2	-107.7	-91.3	0	0	0	112.6	A8	F4-A8 WeakPolarHBondContact O-CB 3.35Å; F4-A8 PolarHBondContact O-N 3.15Å; F4-A8 VanDerWaalsContact O-N 3.08Å
5	L	55.8	Low	57.3	Low	109 Å²	109	130.1 Å²	130.1	57%	0.571	63%	0.633	S	S	*	*	H	α-helix	trans	-69.7	-36.8	177.9	-164.2	66.9	0	0	0	111.7	T9	L5-T9 WeakPolarHBondContact O-CB 3.26Å; L5-T9 PolarHBondContact O-N 3.2Å; L5-T9 VanDerWaalsContact O-N 3.07Å; L5-T9 PolarHBondContact O-OG1 3.46Å
6	G	54.7	Low	57.1	Low	44 Å²	44	129.9 Å²	129.9	45%	0.454	63%	0.628	S	S	.	*	H	α-helix	trans	-64.5	-44.1	175.2	0	0	0	0	0	113.1	W2 T9 F10	W2-G6 PolarHBondContact O-N 3.05Å; G6-T9 PolarHBondContact O-N 3.47Å; G6-F10 WeakPolarHBondContact O-CB 3.29Å; G6-F10 PolarHBondContact O-N 3.3Å
7	I	63.8	Low	56.7	Low	113 Å²	113	126.2 Å²	126.2	58%	0.579	62%	0.618	S	S	*	*	H	α-helix	trans	-68.3	-42.6	179.4	-64.1	168	0	0	0	110.6	T3 T9 F10 T11	T3-I7 WeakPolarHBondContact O-CG1 3.5Å; T3-I7 PolarHBondContact O-N 3.08Å; I7-T9 VanDerWaalsContact C-N 3.34Å; I7-T9 PolarHBondContact O-N 3.11Å; I7-F10 PolarHBondContact O-N 2.8Å; I7-T11 WeakPolarHBondContact O-CB 3.33Å; I7-T11 PolarHBondContact O-N 3.1Å; I7-T11 PolarHBondContact O-OG1 3.39Å
8	A	62.2	Low	56.4	Low	58 Å²	58	121 Å²	121	48%	0.479	60%	0.602	S	S	.	*	H	α-helix	trans	-62.6	-40.3	177.5	0	0	0	0	0	112.5	F4 Y12	F4-A8 WeakPolarHBondContact O-CB 3.35Å; F4-A8 PolarHBondContact O-N 3.15Å; F4-A8 VanDerWaalsContact O-N 3.08Å; A8-Y12 WeakPolarHBondContact O-CB 3.45Å; A8-Y12 PolarHBondContact O-N 2.91Å
9	T	64.1	Low	56.2	Low	76 Å²	76	119.8 Å²	119.8	47%	0.466	60%	0.598	S	S	.	*	H	α-helix	trans	-70.6	-40.8	179.3	-47.6	0	0	0	0	111.7	L5 G6 I7 Y12 F13	L5-T9 WeakPolarHBondContact O-CB 3.26Å; L5-T9 PolarHBondContact O-N 3.2Å; L5-T9 VanDerWaalsContact O-N 3.07Å; L5-T9 PolarHBondContact O-OG1 3.46Å; G6-T9 PolarHBondContact O-N 3.47Å; I7-T9 VanDerWaalsContact C-N 3.34Å; I7-T9 PolarHBondContact O-N 3.11Å; T9-Y12 PolarHBondContact O-N 2.79Å; T9-F13 PolarHBondContact O-N 2.74Å
10	F	60.7	Low	55.8	Low	152 Å²	152	122.2 Å²	122.2	67%	0.667	61%	0.605	S	S	*	*	H	α-helix	trans	-65.9	-40.2	175.8	-167.4	-94.8	0	0	0	111.9	G6 I7 F13 Y14	G6-F10 WeakPolarHBondContact O-CB 3.29Å; G6-F10 PolarHBondContact O-N 3.3Å; I7-F10 PolarHBondContact O-N 2.8Å; F10-F13 PolarHBondContact O-N 3.27Å; F10-Y14 VanDerWaalsContact O-CB 3.27Å; F10-Y14 WeakPolarHBondContact O-CB 3.19Å; F10-Y14 PolarHBondContact O-N 2.65Å
11	T	61.4	Low	55.5	Low	79 Å²	79	120.5 Å²	120.5	49%	0.485	60%	0.602	S	S	.	*	H	α-helix	trans	-68.1	-37.1	177.7	-42.5	0	0	0	0	111.5	I7 K15	I7-T11 WeakPolarHBondContact O-CB 3.33Å; I7-T11 PolarHBondContact O-N 3.1Å; I7-T11 PolarHBondContact O-OG1 3.39Å; T11-K15 VanDerWaalsContact O-CB 3.25Å; T11-K15 WeakPolarHBondContact O-CB 3.45Å; T11-K15 PolarHBondContact O-N 3.31Å
12	Y	65.1	Low	55.7	Low	148 Å²	148	114.3 Å²	114.3	58%	0.58	58%	0.576	S	S	*	*	H	α-helix	trans	-65.4	-44.6	174.4	-177.5	-96.6	0	0	0	112	A8 T9 K15 K16	A8-Y12 WeakPolarHBondContact O-CB 3.45Å; A8-Y12 PolarHBondContact O-N 2.91Å; T9-Y12 PolarHBondContact O-N 2.79Å; Y12-K15 PolarHBondContact O-N 3.38Å; Y12-K16 HydrophobicContact CE1-CD 4.34Å; Y12-K16 PolarHBondContact O-N 3.27Å
13	F	59.8	Low	55.9	Low	138 Å²	138	109 Å²	109	61%	0.605	56%	0.563	S	S	*	*	H	α-helix	trans	-65.8	-43.5	176.5	-117.7	-87	0	0	0	112.2	T9 F10 K15 K16 C17	T9-F13 PolarHBondContact O-N 2.74Å; F10-F13 PolarHBondContact O-N 3.27Å; F13-K15 VanDerWaalsContact C-N 3.34Å; F13-K15 PolarHBondContact O-N 2.78Å; F13-K16 PolarHBondContact O-N 3.48Å; F13-C17 WeakPolarHBondContact O-CB 3.3Å; F13-C17 PolarHBondContact O-N 2.78Å; F13-C17 PolarHBondContact O-SG 3.29Å
14	Y	59.3	Low	55.9	Low	175 Å²	175	106.3 Å²	106.3	69%	0.686	55%	0.552	S	S	*	*	H	α-helix	trans	-62.2	-41.5	177.1	-171.4	-95	0	0	0	111.8	F10 C17 G18	F10-Y14 VanDerWaalsContact O-CB 3.27Å; F10-Y14 WeakPolarHBondContact O-CB 3.19Å; F10-Y14 PolarHBondContact O-N 2.65Å; Y14-C17 PolarHBondContact O-N 2.69Å; Y14-G18 PolarHBondContact O-N 3.41Å
15	K	55.1	Low	56.1	Low	147 Å²	147	102.9 Å²	102.9	64%	0.639	54%	0.541	S	S	*	.	H	α-helix	trans	-66.4	-44.1	176.9	-162.6	172	-175.6	178.1	0	111.7	T11 Y12 F13 C17 G18 D19	T11-K15 VanDerWaalsContact O-CB 3.25Å; T11-K15 WeakPolarHBondContact O-CB 3.45Å; T11-K15 PolarHBondContact O-N 3.31Å; Y12-K15 PolarHBondContact O-N 3.38Å; F13-K15 VanDerWaalsContact C-N 3.34Å; F13-K15 PolarHBondContact O-N 2.78Å; K15-C17 PolarHBondContact O-N 3.4Å; K15-G18 PolarHBondContact O-N 3.16Å; K15-D19 VanDerWaalsContact O-CG 3.26Å; K15-D19 PolarHBondContact O-N 3.14Å
16	K	53.3	Low	56.1	Low	126 Å²	126	106.6 Å²	106.6	55%	0.548	55%	0.548	S	S	.	.	H	α-helix	trans	-66.1	-35.9	175.9	-113.2	-157.9	176.7	-168.8	0	113.5	Y12 F13 F20	Y12-K16 HydrophobicContact CE1-CD 4.34Å; Y12-K16 PolarHBondContact O-N 3.27Å; F13-K16 PolarHBondContact O-N 3.48Å; K16-F20 PolarHBondContact O-N 3.08Å; K16-F20 VanDerWaalsContact O-N 3.14Å
17	C	50.4	Low	56.6	Low	67 Å²	67	110.7 Å²	110.7	45%	0.453	56%	0.555	S	S	.	*	H	α-helix	trans	-71.2	-36.8	174.3	-75.5	0	0	0	0	111.9	F13 Y14 K15 D19 F20 V21	F13-C17 WeakPolarHBondContact O-CB 3.3Å; F13-C17 PolarHBondContact O-N 2.78Å; F13-C17 PolarHBondContact O-SG 3.29Å; Y14-C17 PolarHBondContact O-N 2.69Å; K15-C17 PolarHBondContact O-N 3.4Å; C17-D19 VanDerWaalsContact C-N 3.35Å; C17-F20 PolarHBondContact O-N 3.06Å; C17-V21 WeakPolarHBondContact O-CB 3.18Å; C17-V21 WeakPolarHBondContact O-CG2 3.47Å; C17-V21 PolarHBondContact O-N 3.04Å
18	G	52.3	Low	56.4	Low	33 Å²	33	109.4 Å²	109.4	34%	0.34	55%	0.553	S	S	.	*	H	α-helix	trans	-62.4	-39.9	172.5	0	0	0	0	0	112.8	Y14 K15 V21 T22	Y14-G18 PolarHBondContact O-N 3.41Å; K15-G18 PolarHBondContact O-N 3.16Å; G18-V21 PolarHBondContact O-N 3.2Å; G18-T22 WeakPolarHBondContact O-CB 3.47Å; G18-T22 WeakPolarHBondContact O-CG2 3.4Å; G18-T22 PolarHBondContact O-N 3.47Å; G18-T22 PolarHBondContact O-OG1 3.1Å
19	D	51.7	Low	56.4	Low	98 Å²	98	111.9 Å²	111.9	52%	0.524	56%	0.557	S	S	.	*	H	α-helix	trans	-68.1	-35.1	175.7	-66.5	-21.5	0	0	0	111.9	K15 C17 T22 L23	K15-D19 VanDerWaalsContact O-CG 3.26Å; K15-D19 PolarHBondContact O-N 3.14Å; C17-D19 VanDerWaalsContact C-N 3.35Å; D19-T22 VanDerWaalsContact CA-OG1 3.31Å; D19-T22 WeakPolarHBondContact CA-OG1 3.35Å; D19-T22 PolarHBondContact O-OG1 3.11Å; D19-T22 VanDerWaalsContact O-OG1 3.06Å; D19-L23 WeakPolarHBondContact O-CB 3.42Å; D19-L23 PolarHBondContact O-N 3.47Å
20	F	48.2	Very low	56.7	Low	167 Å²	167	113.4 Å²	113.4	73%	0.732	56%	0.562	S	S	*	*	H	α-helix	trans	-71.3	-39.8	175.2	-125	-88.7	0	0	0	112.8	K16 C17 A24	K16-F20 PolarHBondContact O-N 3.08Å; K16-F20 VanDerWaalsContact O-N 3.14Å; C17-F20 PolarHBondContact O-N 3.06Å; F20-A24 WeakPolarHBondContact O-CB 3.39Å; F20-A24 PolarHBondContact O-N 3.48Å
21	V	48.9	Very low	56.9	Low	88 Å²	88	109.5 Å²	109.5	53%	0.533	55%	0.552	S	S	.	*	H	α-helix	trans	-69.9	-34.9	177.5	170.9	0	0	0	0	111.2	C17 G18 N25	C17-V21 WeakPolarHBondContact O-CB 3.18Å; C17-V21 WeakPolarHBondContact O-CG2 3.47Å; C17-V21 PolarHBondContact O-N 3.04Å; G18-V21 PolarHBondContact O-N 3.2Å; V21-N25 VanDerWaalsContact O-CB 3.3Å; V21-N25 WeakPolarHBondContact O-CB 3.38Å; V21-N25 VanDerWaalsContact O-CG 3.3Å; V21-N25 PolarHBondContact O-N 2.64Å; V21-N25 PolarHBondContact O-ND2 2.87Å
22	T	53	Low	57.4	Low	78 Å²	78	109.3 Å²	109.3	48%	0.479	55%	0.551	S	S	.	*	H	α-helix	trans	-74.6	-33.9	175.4	46.6	0	0	0	0	113	G18 D19 R26	G18-T22 WeakPolarHBondContact O-CB 3.47Å; G18-T22 WeakPolarHBondContact O-CG2 3.4Å; G18-T22 PolarHBondContact O-N 3.47Å; G18-T22 PolarHBondContact O-OG1 3.1Å; D19-T22 VanDerWaalsContact CA-OG1 3.31Å; D19-T22 WeakPolarHBondContact CA-OG1 3.35Å; D19-T22 PolarHBondContact O-OG1 3.11Å; D19-T22 VanDerWaalsContact O-OG1 3.06Å; T22-R26 PolarHBondContact O-N 3.31Å; T22-R26 VanDerWaalsContact O-N 3.11Å
23	L	50.1	Low	57.6	Low	113 Å²	113	106.9 Å²	106.9	59%	0.592	55%	0.548	S	S	*	.	H	α-helix	trans	-68.4	-46.3	173.2	-143.1	86.7	0	0	0	111.6	D19 N25 R26 E27	D19-L23 WeakPolarHBondContact O-CB 3.42Å; D19-L23 PolarHBondContact O-N 3.47Å; L23-N25 VanDerWaalsContact C-N 3.33Å; L23-N25 PolarHBondContact O-N 3Å; L23-R26 PolarHBondContact O-N 3.49Å; L23-R26 VanDerWaalsContact O-N 3.11Å; L23-E27 PolarHBondContact O-N 3.29Å; L23-E27 VanDerWaalsContact O-N 3.08Å
24	A	52.4	Low	58.9	Low	50 Å²	50	104.2 Å²	104.2	41%	0.413	54%	0.542	S	S	.	.	H	α-helix	trans	-62.1	-39.7	176.9	0	0	0	0	0	112	F20 R26 E27 V28	F20-A24 WeakPolarHBondContact O-CB 3.39Å; F20-A24 PolarHBondContact O-N 3.48Å; A24-R26 VanDerWaalsContact C-N 3.33Å; A24-R26 PolarHBondContact O-N 2.65Å; A24-E27 PolarHBondContact O-N 3.37Å; A24-V28 WeakPolarHBondContact O-CB 3.19Å; A24-V28 WeakPolarHBondContact O-CG2 3.45Å; A24-V28 PolarHBondContact O-N 2.89Å
25	N	56.6	Low	59.3	Low	102 Å²	102	102.5 Å²	102.5	55%	0.545	54%	0.539	S	S	.	.	H	α-helix	trans	-65.6	-33.4	173.9	-82.9	-22.2	0	0	0	112.8	V21 L23 L29	V21-N25 VanDerWaalsContact O-CB 3.3Å; V21-N25 WeakPolarHBondContact O-CB 3.38Å; V21-N25 VanDerWaalsContact O-CG 3.3Å; V21-N25 PolarHBondContact O-N 2.64Å; V21-N25 PolarHBondContact O-ND2 2.87Å; L23-N25 VanDerWaalsContact C-N 3.33Å; L23-N25 PolarHBondContact O-N 3Å; N25-L29 WeakPolarHBondContact O-CB 3.49Å; N25-L29 PolarHBondContact O-N 3.01Å
26	R	56.1	Low	59.9	Low	187 Å²	187	100.5 Å²	100.5	71%	0.706	54%	0.535	S	S	*	.	H	α-helix	trans	-69.8	-42.2	176.3	-86.6	-175.7	169.6	-174.9	-1.8	112.5	T22 L23 A24 L29 L30	T22-R26 PolarHBondContact O-N 3.31Å; T22-R26 VanDerWaalsContact O-N 3.11Å; L23-R26 PolarHBondContact O-N 3.49Å; L23-R26 VanDerWaalsContact O-N 3.11Å; A24-R26 VanDerWaalsContact C-N 3.33Å; A24-R26 PolarHBondContact O-N 2.65Å; R26-L29 PolarHBondContact O-N 3.15Å; R26-L30 WeakPolarHBondContact O-CB 3.37Å; R26-L30 PolarHBondContact O-N 2.94Å
27	E	63.4	Low	61	Low	129 Å²	129	97.4 Å²	97.4	60%	0.603	53%	0.528	S	S	*	.	H	α-helix	trans	-68.8	-38.4	177.1	-68.2	-163.6	173.1	0	0	112.3	L23 A24 L30 C31	L23-E27 PolarHBondContact O-N 3.29Å; L23-E27 VanDerWaalsContact O-N 3.08Å; A24-E27 PolarHBondContact O-N 3.37Å; E27-L30 PolarHBondContact O-N 3.29Å; E27-C31 PolarHBondContact O-N 2.98Å; E27-C31 PolarHBondContact O-SG 3.24Å
28	V	60.3	Low	62.2	Low	87 Å²	87	98.8 Å²	98.8	53%	0.527	53%	0.531	S	S	.	.	H	α-helix	trans	-67	-42.6	174.2	173.1	0	0	0	0	111	A24 L30 C31 V32	A24-V28 WeakPolarHBondContact O-CB 3.19Å; A24-V28 WeakPolarHBondContact O-CG2 3.45Å; A24-V28 PolarHBondContact O-N 2.89Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 3.24Å; V28-C31 PolarHBondContact O-N 3.46Å; V28-V32 WeakPolarHBondContact O-CG2 3.49Å; V28-V32 PolarHBondContact O-N 3.45Å
29	L	62.3	Low	62.9	Low	110 Å²	110	99 Å²	99	58%	0.576	53%	0.533	S	S	*	.	H	α-helix	trans	-62.6	-40.8	174.6	-167.7	82.2	0	0	0	111.4	N25 R26 V32 L33	N25-L29 WeakPolarHBondContact O-CB 3.49Å; N25-L29 PolarHBondContact O-N 3.01Å; R26-L29 PolarHBondContact O-N 3.15Å; L29-V32 PolarHBondContact O-N 2.93Å; L29-L33 HydrophobicContact CD2-CD1 4.48Å; L29-L33 HydrophobicContact CG-CD1 4.23Å; L29-L33 WeakPolarHBondContact O-CB 3.48Å; L29-L33 VanDerWaalsContact O-CG 3.27Å; L29-L33 WeakPolarHBondContact O-CG 3.26Å; L29-L33 PolarHBondContact O-N 3Å
30	L	71.2	Confident	63.7	Low	107 Å²	107	100.2 Å²	100.2	56%	0.56	54%	0.539	S	S	*	.	H	α-helix	trans	-61.9	-44.3	173.5	-93.2	156.7	0	0	0	111.5	R26 E27 V28 L33 V34	R26-L30 WeakPolarHBondContact O-CB 3.37Å; R26-L30 PolarHBondContact O-N 2.94Å; E27-L30 PolarHBondContact O-N 3.29Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 3.24Å; L30-L33 PolarHBondContact O-N 3.45Å; L30-V34 WeakPolarHBondContact O-CB 3.22Å; L30-V34 VanDerWaalsContact O-CG2 3.23Å; L30-V34 WeakPolarHBondContact O-CG2 3.21Å; L30-V34 PolarHBondContact O-N 2.87Å
31	C	65.1	Low	65	Low	70 Å²	70	96.1 Å²	96.1	47%	0.473	53%	0.527	S	S	.	.	H	α-helix	trans	-61.8	-46	175.2	-71.5	0	0	0	0	111.3	E27 V28 L33 V34 F35	E27-C31 PolarHBondContact O-N 2.98Å; E27-C31 PolarHBondContact O-SG 3.24Å; V28-C31 PolarHBondContact O-N 3.46Å; C31-L33 VanDerWaalsContact C-N 3.33Å; C31-L33 PolarHBondContact O-N 3.3Å; C31-V34 PolarHBondContact O-N 3.45Å; C31-F35 WeakPolarHBondContact O-CD2 3.39Å; C31-F35 PolarHBondContact O-N 2.89Å
32	V	70	Confident	65.8	Low	75 Å²	75	96.6 Å²	96.6	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-60.8	-41.9	177	170.4	0	0	0	0	111.4	V28 L29 F35 L36	V28-V32 WeakPolarHBondContact O-CG2 3.49Å; V28-V32 PolarHBondContact O-N 3.45Å; L29-V32 PolarHBondContact O-N 2.93Å; V32-F35 PolarHBondContact O-N 3.21Å; V32-L36 HydrophobicContact CG1-CD1 3.87Å; V32-L36 HydrophobicContact CG1-CG 4.49Å; V32-L36 WeakPolarHBondContact O-CB 3.32Å; V32-L36 WeakPolarHBondContact O-CG 3.4Å; V32-L36 PolarHBondContact O-N 2.86Å
33	L	71.2	Confident	66.2	Low	98 Å²	98	95.4 Å²	95.4	51%	0.513	52%	0.521	S	S	.	.	H	α-helix	trans	-66.7	-39.2	175.9	-74.6	168.2	0	0	0	112.4	L29 L30 C31 S37	L29-L33 HydrophobicContact CD2-CD1 4.48Å; L29-L33 HydrophobicContact CG-CD1 4.23Å; L29-L33 WeakPolarHBondContact O-CB 3.48Å; L29-L33 VanDerWaalsContact O-CG 3.27Å; L29-L33 WeakPolarHBondContact O-CG 3.26Å; L29-L33 PolarHBondContact O-N 3Å; L30-L33 PolarHBondContact O-N 3.45Å; C31-L33 VanDerWaalsContact C-N 3.33Å; C31-L33 PolarHBondContact O-N 3.3Å; L33-S37 WeakPolarHBondContact O-CB 3.49Å; L33-S37 PolarHBondContact O-N 2.87Å; L33-S37 PolarHBondContact O-OG 3.2Å
34	V	85.2	Confident	67	Low	81 Å²	81	97.6 Å²	97.6	49%	0.491	52%	0.523	S	S	.	.	H	α-helix	trans	-64.4	-42.5	173.8	170	0	0	0	0	110.5	L30 C31 S37 L38	L30-V34 WeakPolarHBondContact O-CB 3.22Å; L30-V34 VanDerWaalsContact O-CG2 3.23Å; L30-V34 WeakPolarHBondContact O-CG2 3.21Å; L30-V34 PolarHBondContact O-N 2.87Å; C31-V34 PolarHBondContact O-N 3.45Å; V34-S37 WeakPolarHBondContact CA-OG 3.41Å; V34-S37 PolarHBondContact O-N 2.89Å; V34-S37 PolarHBondContact O-OG 2.87Å; V34-L38 VanDerWaalsContact O-CB 3.29Å; V34-L38 WeakPolarHBondContact O-CB 3.45Å; V34-L38 PolarHBondContact O-N 3.47Å
35	F	68.3	Low	67.4	Low	140 Å²	140	103.8 Å²	103.8	61%	0.614	54%	0.536	S	S	*	.	H	α-helix	trans	-70.5	-37.7	177.7	-83.9	-71.5	0	0	0	113	C31 V32 L38 G39	C31-F35 WeakPolarHBondContact O-CD2 3.39Å; C31-F35 PolarHBondContact O-N 2.89Å; V32-F35 PolarHBondContact O-N 3.21Å; F35-L38 PolarHBondContact O-N 3.04Å; F35-G39 PolarHBondContact O-N 2.97Å
36	L	68.8	Low	67.3	Low	105 Å²	105	102.9 Å²	102.9	55%	0.55	54%	0.536	S	S	.	.	H	α-helix	trans	-65.3	-42.8	173.9	-80.8	166.7	0	0	0	111.6	V32 G39 L40	V32-L36 HydrophobicContact CG1-CD1 3.87Å; V32-L36 HydrophobicContact CG1-CG 4.49Å; V32-L36 WeakPolarHBondContact O-CB 3.32Å; V32-L36 WeakPolarHBondContact O-CG 3.4Å; V32-L36 PolarHBondContact O-N 2.86Å; L36-G39 PolarHBondContact O-N 2.84Å; L36-L40 WeakPolarHBondContact O-CB 3.33Å; L36-L40 VanDerWaalsContact O-CG 3.32Å; L36-L40 WeakPolarHBondContact O-CG 3.46Å; L36-L40 PolarHBondContact O-N 3.37Å
37	S	75.1	Confident	67.2	Low	60 Å²	60	103.2 Å²	103.2	42%	0.42	54%	0.537	S	S	.	.	H	α-helix	trans	-67.8	-40.5	176.3	53	0	0	0	0	112	L33 V34 L40 V41	L33-S37 WeakPolarHBondContact O-CB 3.49Å; L33-S37 PolarHBondContact O-N 2.87Å; L33-S37 PolarHBondContact O-OG 3.2Å; V34-S37 WeakPolarHBondContact CA-OG 3.41Å; V34-S37 PolarHBondContact O-N 2.89Å; V34-S37 PolarHBondContact O-OG 2.87Å; S37-L40 PolarHBondContact O-N 2.93Å; S37-V41 WeakPolarHBondContact O-CB 3.42Å; S37-V41 VanDerWaalsContact O-CG2 3.26Å; S37-V41 WeakPolarHBondContact O-CG2 3.32Å; S37-V41 PolarHBondContact O-N 2.8Å
38	L	76.3	Confident	66.5	Low	96 Å²	96	103.6 Å²	103.6	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-63.6	-41.5	173.4	-147.4	87.2	0	0	0	111.6	V34 F35 V41 L42	V34-L38 VanDerWaalsContact O-CB 3.29Å; V34-L38 WeakPolarHBondContact O-CB 3.45Å; V34-L38 PolarHBondContact O-N 3.47Å; F35-L38 PolarHBondContact O-N 3.04Å; L38-V41 PolarHBondContact O-N 2.84Å; L38-L42 HydrophobicContact CD2-CD1 4.29Å; L38-L42 HydrophobicContact CG-CD1 4.36Å; L38-L42 WeakPolarHBondContact O-CB 3.48Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.41Å; L38-L42 PolarHBondContact O-N 3.43Å
39	G	67.8	Low	65.9	Low	37 Å²	37	109.9 Å²	109.9	38%	0.381	55%	0.553	S	S	.	*	H	α-helix	trans	-63.3	-40.5	175.7	0	0	0	0	0	112.8	F35 L36 S43	F35-G39 PolarHBondContact O-N 2.97Å; L36-G39 PolarHBondContact O-N 2.84Å; G39-S43 WeakPolarHBondContact O-CB 3.31Å; G39-S43 PolarHBondContact O-N 2.72Å
40	L	66.7	Low	64.9	Low	125 Å²	125	111.5 Å²	111.5	65%	0.654	56%	0.563	S	S	*	*	H	α-helix	trans	-66.8	-41.8	174.3	-76.9	165.9	0	0	0	112	L36 S37 S43 Y44	L36-L40 WeakPolarHBondContact O-CB 3.33Å; L36-L40 VanDerWaalsContact O-CG 3.32Å; L36-L40 WeakPolarHBondContact O-CG 3.46Å; L36-L40 PolarHBondContact O-N 3.37Å; S37-L40 PolarHBondContact O-N 2.93Å; L40-S43 PolarHBondContact O-N 3.26Å; L40-Y44 VanDerWaalsContact O-CB 3.3Å; L40-Y44 WeakPolarHBondContact O-CB 3.43Å; L40-Y44 PolarHBondContact O-N 2.89Å
41	V	75.9	Confident	63.5	Low	80 Å²	80	109.2 Å²	109.2	49%	0.485	57%	0.565	S	S	.	*	H	α-helix	trans	-65.7	-41.3	176.4	170	0	0	0	0	111.5	S37 L38 Y44 R45	S37-V41 WeakPolarHBondContact O-CB 3.42Å; S37-V41 VanDerWaalsContact O-CG2 3.26Å; S37-V41 WeakPolarHBondContact O-CG2 3.32Å; S37-V41 PolarHBondContact O-N 2.8Å; L38-V41 PolarHBondContact O-N 2.84Å; V41-Y44 PolarHBondContact O-N 2.95Å; V41-R45 WeakPolarHBondContact O-CB 3.34Å; V41-R45 PolarHBondContact O-N 3.14Å
42	L	65.2	Low	62.1	Low	98 Å²	98	109.2 Å²	109.2	51%	0.513	58%	0.577	S	S	.	*	H	α-helix	trans	-68.3	-40	176	-73.2	167.1	0	0	0	111.5	L38 R45 C46	L38-L42 HydrophobicContact CD2-CD1 4.29Å; L38-L42 HydrophobicContact CG-CD1 4.36Å; L38-L42 WeakPolarHBondContact O-CB 3.48Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.41Å; L38-L42 PolarHBondContact O-N 3.43Å; L42-R45 PolarHBondContact O-N 3.07Å; L42-C46 VanDerWaalsContact O-CB 3.31Å; L42-C46 WeakPolarHBondContact O-CB 3.36Å; L42-C46 PolarHBondContact O-N 2.93Å; L42-C46 PolarHBondContact O-SG 3.44Å; L42-C46 VanDerWaalsContact O-SG 3.32Å
43	S	62.4	Low	60.7	Low	53 Å²	53	113.1 Å²	113.1	37%	0.371	59%	0.594	S	S	.	*	H	α-helix	trans	-65.7	-39.4	174.9	-165.8	0	0	0	0	112	G39 L40 C46 R47	G39-S43 WeakPolarHBondContact O-CB 3.31Å; G39-S43 PolarHBondContact O-N 2.72Å; L40-S43 PolarHBondContact O-N 3.26Å; S43-C46 PolarHBondContact O-N 2.98Å; S43-R47 PolarHBondContact O-N 3.02Å
44	Y	66	Low	58.9	Low	160 Å²	160	116.6 Å²	116.6	63%	0.627	61%	0.612	S	S	*	*	H	α-helix	trans	-62.9	-46.7	172.4	-179.5	-98.2	0	0	0	111.8	L40 V41 R47 H48	L40-Y44 VanDerWaalsContact O-CB 3.3Å; L40-Y44 WeakPolarHBondContact O-CB 3.43Å; L40-Y44 PolarHBondContact O-N 2.89Å; V41-Y44 PolarHBondContact O-N 2.95Å; Y44-R47 PolarHBondContact O-N 2.66Å; Y44-H48 WeakPolarHBondContact O-CB 3.41Å; Y44-H48 PolarHBondContact O-N 3.43Å
45	R	62	Low	56.3	Low	180 Å²	180	116.4 Å²	116.4	68%	0.679	63%	0.627	S	S	*	*	H	α-helix	trans	-65.6	-38.5	176.4	-83.3	-172.4	168.9	178.1	-1.6	112.9	V41 L42 H48 R49	V41-R45 WeakPolarHBondContact O-CB 3.34Å; V41-R45 PolarHBondContact O-N 3.14Å; L42-R45 PolarHBondContact O-N 3.07Å; R45-H48 PolarHBondContact O-N 2.98Å; R45-R49 VanDerWaalsContact O-CB 3.32Å; R45-R49 WeakPolarHBondContact O-CB 3.3Å; R45-R49 PolarHBondContact O-N 3Å
46	C	53.5	Low	54.5	Low	83 Å²	83	121.9 Å²	121.9	56%	0.561	64%	0.643	S	S	*	*	H	α-helix	trans	-68.1	-39.3	176.1	-75.3	0	0	0	0	112.1	L42 S43 R49 N50	L42-C46 VanDerWaalsContact O-CB 3.31Å; L42-C46 WeakPolarHBondContact O-CB 3.36Å; L42-C46 PolarHBondContact O-N 2.93Å; L42-C46 PolarHBondContact O-SG 3.44Å; L42-C46 VanDerWaalsContact O-SG 3.32Å; S43-C46 PolarHBondContact O-N 2.98Å; C46-R49 PolarHBondContact O-N 2.88Å; C46-N50 PolarHBondContact O-N 3.07Å; C46-N50 VanDerWaalsContact O-N 3.15Å
47	R	54.6	Low	52.6	Low	193 Å²	193	126.2 Å²	126.2	73%	0.728	66%	0.661	S	S	*	*	H	α-helix	trans	-67.2	-39	173	-77.6	-173.4	-158.1	-179	4.8	112.7	S43 Y44 R49 N50 G51	S43-R47 PolarHBondContact O-N 3.02Å; Y44-R47 PolarHBondContact O-N 2.66Å; R47-R49 VanDerWaalsContact C-N 3.31Å; R47-R49 PolarHBondContact O-N 2.93Å; R47-N50 PolarHBondContact O-N 3.28Å; R47-G51 PolarHBondContact O-N 3Å; R47-G51 VanDerWaalsContact O-N 3.14Å
48	H	49.7	Very low	50.6	Low	137 Å²	137	135.2 Å²	135.2	63%	0.634	69%	0.685	S	S	*	*	H	α-helix	trans	-72.8	-25.4	179.6	-152.8	-61.1	0	0	0	112.7	Y44 R45	Y44-H48 WeakPolarHBondContact O-CB 3.41Å; Y44-H48 PolarHBondContact O-N 3.43Å; R45-H48 PolarHBondContact O-N 2.98Å
49	R	46.2	Very low	48.3	Very low	219 Å²	219	136.5 Å²	136.5	83%	0.826	70%	0.702	S	S	*	*	H	α-helix	trans	-81.5	-26.4	175.3	-161.3	173.4	135.4	176.4	-3.6	113.1	R45 C46 R47	R45-R49 VanDerWaalsContact O-CB 3.32Å; R45-R49 WeakPolarHBondContact O-CB 3.3Å; R45-R49 PolarHBondContact O-N 3Å; C46-R49 PolarHBondContact O-N 2.88Å; R47-R49 VanDerWaalsContact C-N 3.31Å; R47-R49 PolarHBondContact O-N 2.93Å
50	N	41.5	Very low	46.6	Very low	145 Å²	145	137.9 Å²	137.9	78%	0.775	72%	0.717	S	S	*	*	H	α-helix	trans	-89.3	-5.2	173.1	-83.2	1.1	0	0	0	114.4	C46 R47 G52	C46-N50 PolarHBondContact O-N 3.07Å; C46-N50 VanDerWaalsContact O-N 3.15Å; R47-N50 PolarHBondContact O-N 3.28Å; N50-G52 VanDerWaalsContact C-N 3.34Å
51	G	41.2	Very low	45.2	Very low	59 Å²	59	137.5 Å²	137.5	61%	0.608	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	6.4	176.3	0	0	0	0	0	115.6	R47 L53	R47-G51 PolarHBondContact O-N 3Å; R47-G51 VanDerWaalsContact O-N 3.14Å; G51-L53 VanDerWaalsContact C-N 3.33Å; G51-L53 PolarHBondContact O-N 3.16Å
52	G	36.1	Very low	43.4	Very low	70 Å²	70	141.9 Å²	141.9	72%	0.722	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-0.5	-178.3	0	0	0	0	0	115.8	N50	N50-G52 VanDerWaalsContact C-N 3.34Å
53	L	41	Very low	42.1	Very low	156 Å²	156	146.4 Å²	146.4	82%	0.817	76%	0.756	S	S	*	*	S	Bend	trans	-143.9	79	-178.6	-99.4	143.4	0	0	0	109.4	G51	G51-L53 VanDerWaalsContact C-N 3.33Å; G51-L53 PolarHBondContact O-N 3.16Å
54	L	34	Very low	40.8	Very low	172 Å²	172	147.9 Å²	147.9	90%	0.901	77%	0.771	S	S	*	*	S	Bend	trans	156.3	120	146.2	-86.6	149.9	0	0	0	111.3
55	G	30.9	Very low	39.4	Very low	77 Å²	77	147 Å²	147	79%	0.794	78%	0.776	S	S	*	*			trans	67.8	100.8	138	0	0	0	0	0	119.5
56	R	29.6	Very low	38.3	Very low	255 Å²	255	145.8 Å²	145.8	96%	0.962	78%	0.776	S	S	*	*			trans	-70	119.9	165.2	-168.9	-176.7	-165.1	-176.5	5	110.9
57	Q	29.2	Very low	37.6	Very low	196 Å²	196	145.5 Å²	145.5	92%	0.916	78%	0.775	S	S	*	*			trans	-154.3	146.4	149.6	-118.8	178.8	-0.3	0	0	113.4
58	R	32.5	Very low	36.7	Very low	248 Å²	248	141.8 Å²	141.8	94%	0.936	77%	0.77	S	S	*	*			trans	-67.6	142	-167.6	-69.9	168.9	164.2	165.3	-6.6	113.7
59	S	29.1	Very low	36.4	Very low	123 Å²	123	141.1 Å²	141.1	86%	0.86	77%	0.77	S	S	*	*			trans	-158.4	115.9	131.6	-171.1	0	0	0	0	109.8
60	G	31.7	Very low	36.1	Very low	66 Å²	66	137.5 Å²	137.5	68%	0.68	77%	0.766	S	S	*	*			trans	-84.5	177.1	171.2	0	0	0	0	0	111.9
61	S	37.9	Very low	36	Very low	118 Å²	118	135.4 Å²	135.4	83%	0.825	76%	0.763	S	S	*	*	S	Bend	trans	85.8	45	166.6	-167.1	0	0	0	0	118.8
62	Q	36.8	Very low	36	Very low	172 Å²	172	136.4 Å²	136.4	80%	0.804	77%	0.766	S	S	*	*	S	Bend	trans	-141.7	-0.9	149.4	-75.5	-163.6	-20	0	0	114.6
63	F	38.9	Very low	36	Very low	193 Å²	193	139.9 Å²	139.9	85%	0.846	77%	0.767	S	S	*	*	S	Bend	trans	-95.8	-1.7	-171.4	-84.7	-81.2	0	0	0	115.9
64	A	34.7	Very low	35.7	Very low	83 Å²	83	137.2 Å²	137.2	69%	0.686	76%	0.759	S	S	*	*	S	Bend	trans	-79.6	-18.7	179.9	0	0	0	0	0	113.4
65	L	37.1	Very low	36	Very low	141 Å²	141	138.5 Å²	138.5	74%	0.738	76%	0.758	S	S	*	*	S	Bend	trans	-90.2	-15.1	-173.9	-131.4	116.7	0	0	0	114.3
66	F	38.2	Very low	36.3	Very low	155 Å²	155	143.2 Å²	143.2	68%	0.68	76%	0.763	S	S	*	*	S	Bend	trans	-97.1	-7.6	-179.5	-83.3	-82	0	0	0	113.9
67	S	38.2	Very low	36.6	Very low	78 Å²	78	134.4 Å²	134.4	55%	0.545	75%	0.752	S	S	.	*	S	Bend	trans	-67.9	-38.2	173.1	162.6	0	0	0	0	112	I69	S67-I69 PolarHBondContact O-N 2.85Å
68	D	35.9	Very low	36.9	Very low	115 Å²	115	134.2 Å²	134.2	62%	0.615	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-2.5	-163.7	-64.3	-13.1	0	0	0	114.1	S71	D68-S71 PolarHBondContact O-OG 3.22Å
69	I	44	Very low	36.8	Very low	122 Å²	122	131.8 Å²	131.8	63%	0.626	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-17.8	176.9	-63	175.2	0	0	0	111.6	S67	S67-I69 PolarHBondContact O-N 2.85Å
70	L	39.4	Very low	36.9	Very low	143 Å²	143	137.6 Å²	137.6	75%	0.749	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-4.1	-178.5	-84	158.9	0	0	0	114.3
71	S	39.2	Very low	36.6	Very low	101 Å²	101	139.3 Å²	139.3	71%	0.706	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-2.2	177.3	56.3	0	0	0	0	114.2	D68	D68-S71 PolarHBondContact O-OG 3.22Å
72	A	40.9	Very low	36.1	Very low	81 Å²	81	142.6 Å²	142.6	67%	0.669	76%	0.755	S	S	*	*	S	Bend	trans	-103.1	9.8	-173.3	0	0	0	0	0	115.6
73	L	36.2	Very low	35.7	Very low	142 Å²	142	139.9 Å²	139.9	74%	0.743	76%	0.755	S	S	*	*			trans	-103.4	118.4	176.4	-74.4	167.2	0	0	0	111
74	P	35.8	Very low	35.3	Very low	101 Å²	101	136.3 Å²	136.3	66%	0.656	75%	0.751	S	S	*	*			trans	-75.2	146.6	174.3	32.5	-30.7	0	0	0	109.2
75	F	40.1	Very low	35.1	Very low	199 Å²	199	138.4 Å²	138.4	87%	0.873	76%	0.758	S	S	*	*			trans	90.2	53.8	179.8	-57.8	-80.4	0	0	0	118.1
76	I	36.4	Very low	34.6	Very low	175 Å²	175	141.2 Å²	141.2	90%	0.897	77%	0.767	S	S	*	*			trans	-137.7	86.7	143.2	-56.4	-179.8	0	0	0	107.9
77	G	36.8	Very low	34.1	Very low	71 Å²	71	139.4 Å²	139.4	73%	0.732	77%	0.774	S	S	*	*			trans	-153	58	180	0	0	0	0	0	110.9
78	F	34.8	Very low	33.6	Very low	192 Å²	192	144.4 Å²	144.4	84%	0.842	79%	0.788	S	S	*	*	S	Bend	trans	-151.3	2.3	169.2	-147.1	-98.4	0	0	0	116.4
79	F	30.3	Very low	33.1	Very low	196 Å²	196	146.9 Å²	146.9	86%	0.86	80%	0.801	S	S	*	*	S	Bend	trans	-124.4	12.1	-175.6	-87.9	-74.2	0	0	0	116.6
80	W	30.7	Very low	32.3	Very low	246 Å²	246	150.1 Å²	150.1	93%	0.932	81%	0.811	S	S	*	*			trans	-126.1	82.6	176.4	-93.4	39.2	0	0	0	111
81	A	27.4	Very low	31.6	Very low	102 Å²	102	151.4 Å²	151.4	84%	0.843	81%	0.813	S	S	*	*			trans	-116.7	107.5	156.4	0	0	0	0	0	107.6
82	K	26.3	Very low	31	Very low	187 Å²	187	154.6 Å²	154.6	81%	0.813	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-72.9	134.2	169.7	-80.5	175.6	172.5	176.9	0	108.9
83	S	27.9	Very low	30.2	Very low	114 Å²	114	157.2 Å²	157.2	80%	0.797	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-63.7	137.9	164.6	-33.5	0	0	0	0	110.3
84	P	32	Very low	29.8	Very low	119 Å²	119	158.2 Å²	158.2	77%	0.773	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-83.4	162.1	169.5	32.8	-29.5	0	0	0	111.6
85	P	30.6	Very low	29.3	Very low	126 Å²	126	157.6 Å²	157.6	82%	0.818	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-90.8	156.2	-161.6	36.1	-32.1	0	0	0	113.6
86	E	26.3	Very low	28.6	Very low	201 Å²	201	158 Å²	158	94%	0.939	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-65.9	144.3	170.7	-71.6	176.1	146.4	0	0	112.2
87	S	26.3	Very low	28.1	Very low	117 Å²	117	159.4 Å²	159.4	82%	0.818	81%	0.813	S	S	*	*			trans	-140.1	134	160.2	61.1	0	0	0	0	109.8
88	E	28.8	Very low	27.6	Very low	182 Å²	182	167.7 Å²	167.7	85%	0.85	82%	0.822	S	S	*	*			trans	-63.8	144	-177.7	-59.3	171.1	133.4	0	0	113.1
89	N	25.4	Very low	27.2	Very low	167 Å²	167	170.2 Å²	170.2	89%	0.893	83%	0.826	S	S	*	*				-172.2	152.3	127.2	-98.8	-35.7	0	0	0	113.4
90	K	26.2	Very low	27.1	Very low	190 Å²	190	170.9 Å²	170.9	83%	0.826	83%	0.829	S	S	*	*			trans	-77.2	178.9	-165.8	-74.6	172.5	159.9	172.6	0	115.8
91	E	26.2	Very low	26.8	Very low	170 Å²	170	162.4 Å²	162.4	79%	0.794	82%	0.818	S	S	*	*			trans	90.6	107.1	157.6	-71.9	173.8	-176.5	0	0	116
92	Q	25.4	Very low	26.8	Very low	169 Å²	169	164 Å²	164	79%	0.79	82%	0.817	S	S	*	*				81.2	136.7	76	-93	-165.3	-6.4	0	0	114.3
93	L	24.8	Very low	26.8	Very low	135 Å²	135	161.7 Å²	161.7	71%	0.707	81%	0.814	S	S	*	*			trans	103.3	117.2	155.7	-71.5	138.3	0	0	0	120
94	E	26.5	Very low	26.9	Very low	163 Å²	163	162.7 Å²	162.7	76%	0.762	81%	0.809	S	S	*	*			trans	78.2	109	137.9	-65.1	-179.7	176.9	0	0	118.6
95	A	26.2	Very low	26.6	Very low	88 Å²	88	162.7 Å²	162.7	73%	0.727	81%	0.811	S	S	*	*				55.1	100.4	69.5	0	0	0	0	0	114
96	R	26.4	Very low	26.5	Very low	208 Å²	208	165.4 Å²	165.4	79%	0.785	81%	0.813	S	S	*	*				175.6	125.4	127.7	-99.9	166.4	175.5	-178.4	2.2	113.4
97	R	25.8	Very low	26.6	Very low	204 Å²	204	161.6 Å²	161.6	77%	0.77	80%	0.804	S	S	*	*			trans	58.4	121.3	130.9	-69.5	175.1	173	-179.7	-3.3	117.4
98	R	26.3	Very low	26.6	Very low	245 Å²	245	161.6 Å²	161.6	93%	0.925	80%	0.799	S	S	*	*				-176.8	138.6	79	-120.1	167.4	-177.1	-179.8	0	112.4
99	R	25.8	Very low	26.7	Very low	246 Å²	246	160.3 Å²	160.3	93%	0.928	80%	0.797	S	S	*	*			trans	-56.8	147.8	164.6	-73.3	168.6	163.2	167.9	-6.6	112.3
100	K	27.4	Very low	26.9	Very low	209 Å²	209	160.2 Å²	160.2	91%	0.909	80%	0.795	S	S	*	*				-151.1	118.2	129.9	-138	177.8	-177	-176.3	0	108.7
101	G	25.6	Very low	27.3	Very low	68 Å²	68	154.9 Å²	154.9	70%	0.701	79%	0.793	S	S	*	*			trans	-114.6	157.6	168.1	0	0	0	0	0	109.7
102	T	26.3	Very low	27.4	Very low	135 Å²	135	151.3 Å²	151.3	83%	0.828	79%	0.793	S	S	*	*			trans	-158	101.8	155.1	-30	0	0	0	0	109.7
103	N	26.5	Very low	27.7	Very low	139 Å²	139	148 Å²	148	74%	0.743	80%	0.795	S	S	*	*				15.1	148.6	119	-77.3	7.1	0	0	0	118.8
104	I	30.3	Very low	28.1	Very low	136 Å²	136	145.5 Å²	145.5	70%	0.697	79%	0.794	S	S	*	*			cis	-167	151.6	8.2	-88.1	151.1	0	0	0	105.1
105	S	26.6	Very low	28.4	Very low	118 Å²	118	143.2 Å²	143.2	83%	0.825	80%	0.796	S	S	*	*				170.7	146.1	112.1	-89.3	0	0	0	0	112.7
106	E	28.3	Very low	28.8	Very low	183 Å²	183	144.7 Å²	144.7	86%	0.855	80%	0.796	S	S	*	*			trans	-78.9	166.7	-170.2	-64.9	166.4	120.4	0	0	116.6
107	T	26.9	Very low	29.5	Very low	121 Å²	121	140.4 Å²	140.4	74%	0.742	80%	0.798	S	S	*	*			trans	110	113	137.5	-31.9	0	0	0	0	116
108	T	27	Very low	30.1	Very low	117 Å²	117	136.8 Å²	136.8	72%	0.718	80%	0.799	S	S	*	*				157.8	115	114.6	-56.7	0	0	0	0	111.3
109	L	31.1	Very low	30.8	Very low	155 Å²	155	129 Å²	129	81%	0.812	78%	0.782	S	S	*	*			trans	18.4	128.7	144.9	-58.6	160.6	0	0	0	119.1
110	I	30.3	Very low	32	Very low	166 Å²	166	120 Å²	120	85%	0.851	76%	0.756	S	S	*	*				-170.1	126.4	109.7	-86.6	148.7	0	0	0	107.8	A112	I110-A112 PolarHBondContact O-N 3.41Å
111	G	33.5	Very low	33.2	Very low	77 Å²	77	119.3 Å²	119.3	79%	0.794	76%	0.756	S	S	*	*			trans	-65.8	110.7	174.2	0	0	0	0	0	110.7
112	A	29.5	Very low	35.7	Very low	96 Å²	96	122.6 Å²	122.6	79%	0.793	76%	0.758	S	S	*	*			trans	-87.3	100.1	154.2	0	0	0	0	0	106.2	I110 A114	I110-A112 PolarHBondContact O-N 3.41Å; A112-A114 PolarHBondContact O-N 2.8Å
113	A	31.3	Very low	38.8	Very low	99 Å²	99	118.4 Å²	118.4	82%	0.818	73%	0.73	S	S	*	*			trans	-59.4	98.9	161.5	0	0	0	0	0	106.4	S115	A113-S115 VanDerWaalsContact C-N 3.32Å; A113-S115 PolarHBondContact O-N 2.88Å
114	A	31.5	Very low	42.2	Very low	83 Å²	83	112.1 Å²	112.1	69%	0.686	70%	0.697	S	S	*	*			trans	-59.4	103.2	164.7	0	0	0	0	0	105.9	A112 T116	A112-A114 PolarHBondContact O-N 2.8Å; A114-T116 PolarHBondContact O-N 2.89Å; A114-T116 PolarHBondContact O-OG1 3.46Å
115	S	34.4	Very low	45.5	Very low	115 Å²	115	108.3 Å²	108.3	80%	0.804	68%	0.676	S	S	*	*			trans	-64.4	82	164.2	47.1	0	0	0	0	107	A113 S117	A113-S115 VanDerWaalsContact C-N 3.32Å; A113-S115 PolarHBondContact O-N 2.88Å; S115-S117 VanDerWaalsContact C-N 3.32Å; S115-S117 PolarHBondContact O-N 2.95Å
116	T	33	Very low	48.9	Very low	118 Å²	118	102.7 Å²	102.7	72%	0.724	64%	0.637	S	S	*	*			trans	-62.9	103.5	161.9	-12.4	0	0	0	0	104.4	A114 T118	A114-T116 PolarHBondContact O-N 2.89Å; A114-T116 PolarHBondContact O-OG1 3.46Å; T116-T118 PolarHBondContact O-N 3.4Å
117	S	41.1	Very low	52.3	Low	118 Å²	118	94 Å²	94	83%	0.825	60%	0.596	S	S	*	*			trans	-60.1	91.5	169	42.8	0	0	0	0	106.8	S115 S119	S115-S117 VanDerWaalsContact C-N 3.32Å; S115-S117 PolarHBondContact O-N 2.95Å; S117-S119 PolarHBondContact O-N 3.05Å
118	T	39.2	Very low	55.7	Low	129 Å²	129	88.2 Å²	88.2	79%	0.791	56%	0.561	S	S	*	*			trans	-62.3	104.8	168.6	31.8	0	0	0	0	105.5	T116 S120	T116-T118 PolarHBondContact O-N 3.4Å; T118-S120 PolarHBondContact O-N 3.4Å
119	S	41.5	Very low	59.1	Low	82 Å²	82	83 Å²	83	57%	0.573	53%	0.529	S	S	*	.			trans	-46.5	116.8	170.2	58.4	0	0	0	0	106.5	S117 Q121	S117-S119 PolarHBondContact O-N 3.05Å; S119-Q121 PolarHBondContact O-N 2.97Å
120	S	49.9	Very low	62.4	Low	56 Å²	56	76 Å²	76	39%	0.392	49%	0.494	S	S	.	.			trans	-60.4	135.8	176.6	76.8	0	0	0	0	106	T118 N122 D123	T118-S120 PolarHBondContact O-N 3.4Å; S120-N122 PolarHBondContact O-N 2.76Å; S120-D123 PolarHBondContact N-OD2 2.75Å; S120-D123 PolarHBondContact O-N 3.37Å; S120-D123 PolarHBondContact OG-N 2.88Å; S120-D123 PolarHBondContact OG-OD1 2.63Å; S120-D123 PolarHBondContact OG-OD2 2.78Å
121	Q	54.5	Low	65.6	Low	195 Å²	195	68 Å²	68	91%	0.911	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-6.1	177.2	-77.2	-175.3	-22	0	0	113	S119 K148	S119-Q121 PolarHBondContact O-N 2.97Å; Q121-K148 PolarHBondContact O-NZ 2.83Å
122	N	77.5	Confident	68.7	Low	136 Å²	136	65.6 Å²	65.6	73%	0.727	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-9.1	-178.5	-71.5	-24.3	0	0	0	115.3	S120 K148	S120-N122 PolarHBondContact O-N 2.76Å; N122-K148 PolarHBondContact O-NZ 3.02Å
123	D	91.6	Very high	72	Confident	48 Å²	48	62 Å²	62	26%	0.257	40%	0.396	S	S	.	.			trans	-70.7	147.1	179	-67.9	-46.4	0	0	0	112.1	S120 K148	S120-D123 PolarHBondContact N-OD2 2.75Å; S120-D123 PolarHBondContact O-N 3.37Å; S120-D123 PolarHBondContact OG-N 2.88Å; S120-D123 PolarHBondContact OG-OD1 2.63Å; S120-D123 PolarHBondContact OG-OD2 2.78Å; D123-K148 WeakPolarHBondContact O-CD 3.18Å; D123-K148 WeakPolarHBondContact O-CE 3.32Å; D123-K148 PolarHBondContact O-NZ 3.01Å
124	P	97.9	Very high	75.2	Confident	6 Å²	6	57.8 Å²	57.8	4%	0.039	36%	0.36	C	S	.	.			trans	-76.1	154.9	171	30.5	-33.1	0	0	0	111.7	I127 L276 H277 A278	P124-I127 HydrophobicContact CG-CD1 4.43Å; P124-I127 HydrophobicContact CG-CG1 3.86Å; P124-L276 HydrophobicContact CG-CD1 4.11Å; P124-L276 HydrophobicContact CG-CD2 4.13Å; P124-L276 HydrophobicContact CG-CG 4.1Å; P124-H277 WeakPolarHBondContact CD-O 3.34Å; P124-A278 HydrophobicContact CG-CB 4.33Å; P124-A278 VanDerWaalsContact O-CB 3.29Å; P124-A278 WeakPolarHBondContact O-CB 3.44Å
125	E	98.4	Very high	78.4	Confident	57 Å²	57	53.8 Å²	53.8	27%	0.266	33%	0.327	S	S	.	.	S	Bend	trans	-78	-33	170.3	-71.1	174.2	83.1	0	0	111.5	R147 K148 P279 L280 L441	E125-R147 WeakPolarHBondContact OE1-CD 3.26Å; E125-R147 IonicContact OE1-CZ 3.37Å; E125-R147 IonicContact OE1-NE 2.75Å; E125-R147 IonicContact OE1-NH1 3.74Å; E125-R147 PolarHBondContact OE1-NH1 3.18Å; E125-R147 WeakPolarHBondContact OE2-CA 3.48Å; E125-K148 HydrophobicContact CG-CB 4.48Å; E125-K148 PolarHBondContact N-O 2.74Å; E125-K148 PolarHBondContact OE2-N 3.2Å; E125-P279 WeakPolarHBondContact O-CD 3.21Å; E125-P279 VanDerWaalsContact O-CG 3.31Å; E125-P279 WeakPolarHBondContact O-CG 3.43Å; E125-L280 PolarHBondContact O-N 3.37Å; E125-L441 HydrophobicContact CB-CD1 4.24Å
126	V	98.9	Very high	81.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127.3	-179.2	-173.5	0	0	0	0	110.7	I128 L142 K148 V149 T150 L280 V282 L441	V126-I128 HydrophobicContact CG1-CG1 4Å; V126-L142 HydrophobicContact CG1-CD1 4.39Å; V126-L142 HydrophobicContact CG2-CD1 4.43Å; V126-K148 PolarHBondContact N-O 2.91Å; V126-V149 HydrophobicContact CB-CG2 4.4Å; V126-V149 WeakPolarHBondContact O-CA 3.38Å; V126-T150 PolarHBondContact O-N 2.77Å; V126-L280 VanDerWaalsContact CA-O 3.32Å; V126-L280 WeakPolarHBondContact CA-O 3.21Å; V126-L280 HydrophobicContact CG2-CB 4.49Å; V126-V282 HydrophobicContact CG1-CG2 3.89Å; V126-L441 HydrophobicContact CG2-CD1 3.58Å
127	I	98.9	Very high	84.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.2	167.2	-65.3	165.7	0	0	0	108.6	P124 T150 I152 V263 L276 A278 L280 T281 V282	P124-I127 HydrophobicContact CG-CD1 4.43Å; P124-I127 HydrophobicContact CG-CG1 3.86Å; I127-T150 CarbonylContact C-O 3.54Å; I127-T150 WeakPolarHBondContact CA-O 3.31Å; I127-I152 HydrophobicContact CG2-CD1 4.49Å; I127-V263 HydrophobicContact CD1-CG2 4.27Å; I127-V263 HydrophobicContact CG2-CG1 4.09Å; I127-V263 HydrophobicContact CG2-CG2 3.84Å; I127-L276 HydrophobicContact CD1-CB 4.01Å; I127-L276 HydrophobicContact CD1-CD2 3.85Å; I127-L276 HydrophobicContact CD1-CG 3.62Å; I127-L276 VanDerWaalsContact CD1-O 3.24Å; I127-L276 WeakPolarHBondContact CD1-O 3.42Å; I127-L276 HydrophobicContact CG1-CD2 3.84Å; I127-L276 HydrophobicContact CG1-CG 4.11Å; I127-A278 HydrophobicContact CB-CB 4.4Å; I127-A278 HydrophobicContact CD1-CB 3.58Å; I127-A278 HydrophobicContact CG1-CB 3.6Å; I127-L280 PolarHBondContact N-O 2.63Å; I127-T281 CarbonylContact O-C 3.56Å; I127-T281 WeakPolarHBondContact O-CA 3.25Å; I127-V282 PolarHBondContact O-N 3.05Å
128	I	98.9	Very high	87.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120.5	175.6	-57.6	-179.5	0	0	0	109.3	V126 L138 A139 V149 T150 V151 I152 V282 A284	V126-I128 HydrophobicContact CG1-CG1 4Å; I128-L138 HydrophobicContact CD1-CB 4.23Å; I128-L138 HydrophobicContact CD1-CD2 4.12Å; I128-L138 HydrophobicContact CD1-CG 4.1Å; I128-A139 HydrophobicContact CD1-CB 3.92Å; I128-V149 HydrophobicContact CD1-CG1 3.62Å; I128-V149 HydrophobicContact CG1-CG1 3.98Å; I128-T150 PolarHBondContact N-O 2.94Å; I128-V151 HydrophobicContact CB-CB 4.5Å; I128-V151 HydrophobicContact CB-CG1 4.22Å; I128-V151 HydrophobicContact CB-CG2 4.21Å; I128-V151 HydrophobicContact CD1-CG2 4.45Å; I128-V151 HydrophobicContact CG2-CG1 4.28Å; I128-V151 WeakPolarHBondContact O-CA 3.29Å; I128-I152 PolarHBondContact O-N 2.84Å; I128-V282 WeakPolarHBondContact CA-O 3.24Å; I128-V282 HydrophobicContact CG1-CB 4.28Å; I128-A284 HydrophobicContact CG2-CB 4.44Å
129	V	98.9	Very high	90.2	Very high	7 Å²	7	31 Å²	31	4%	0.042	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	106.6	177.5	-175.4	0	0	0	0	109.5	V250 V263 T281 V282 A284 D285 F291	V129-V250 HydrophobicContact CB-CG2 4.37Å; V129-V250 HydrophobicContact CG1-CB 3.81Å; V129-V250 HydrophobicContact CG1-CG1 4.27Å; V129-V250 HydrophobicContact CG1-CG2 3.67Å; V129-V250 HydrophobicContact CG2-CG1 4.39Å; V129-V250 HydrophobicContact CG2-CG2 4.07Å; V129-V263 HydrophobicContact CG2-CG1 3.99Å; V129-T281 HydrophobicContact CG2-CG2 4.12Å; V129-V282 PolarHBondContact N-O 3.17Å; V129-A284 CarbonylContact O-C 3.59Å; V129-A284 VanDerWaalsContact O-CA 3.26Å; V129-A284 WeakPolarHBondContact O-CA 3.43Å; V129-A284 WeakPolarHBondContact O-CB 3.33Å; V129-A284 PolarHBondContact O-N 3.34Å; V129-D285 HydrophobicContact CG1-CB 4.39Å; V129-D285 PolarHBondContact O-N 3.14Å; V129-F291 HydrophobicContact CG1-CE2 4Å
130	G	98.7	Very high	92.9	Very high	7 Å²	7	27.1 Å²	27.1	7%	0.072	15%	0.15	C	C	.	.			trans	97.8	122.6	-179.9	0	0	0	0	0	113.3	G132 G135 I152 E153	G130-G132 PolarHBondContact O-N 2.95Å; G130-G135 WeakPolarHBondContact O-CA 2.86Å; G130-I152 WeakPolarHBondContact CA-O 3.46Å; G130-I152 PolarHBondContact N-O 3.45Å; G130-E153 WeakPolarHBondContact CA-OE2 3.44Å
131	A	98.6	Very high	95.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.132	C	C	.	.			trans	-98.9	54	175.2	0	0	0	0	0	111.2	S136 V151 E153 L156 R234 F245	A131-S136 VanDerWaalsContact C-OG 3.31Å; A131-S136 PolarHBondContact O-OG 2.99Å; A131-S136 VanDerWaalsContact O-OG 3.13Å; A131-V151 HydrophobicContact CB-CG1 3.79Å; A131-E153 HydrophobicContact CB-CB 3.6Å; A131-E153 HydrophobicContact CB-CG 3.88Å; A131-E153 PolarHBondContact N-OE2 3.45Å; A131-L156 HydrophobicContact CB-CD2 4.47Å; A131-R234 HydrophobicContact CB-CG 4.33Å; A131-R234 PolarHBondContact O-NE 3.49Å; A131-R234 PolarHBondContact O-NH2 3.11Å; A131-F245 HydrophobicContact CB-CD1 4.43Å; A131-F245 HydrophobicContact CB-CE1 3.93Å
132	G	98.3	Very high	97.4	Very high	26 Å²	26	15.3 Å²	15.3	27%	0.268	9%	0.089	S	C	.	.	S	Bend	trans	-83.1	-155.3	169.4	0	0	0	0	0	112.2	G130 L134 S136	G130-G132 PolarHBondContact O-N 2.95Å; G132-L134 VanDerWaalsContact C-N 3.35Å; G132-L134 PolarHBondContact O-N 2.83Å; G132-S136 VanDerWaalsContact O-CB 3.26Å; G132-S136 WeakPolarHBondContact O-CB 3.04Å; G132-S136 PolarHBondContact O-N 3.45Å; G132-S136 VanDerWaalsContact O-N 3.13Å; G132-S136 PolarHBondContact O-OG 2.76Å
133	V	98.7	Very high	98.4	Very high	21 Å²	21	8.9 Å²	8.9	13%	0.127	6%	0.055	C	C	.	.	H	α-helix	trans	-55.1	-51.8	175.6	178.8	0	0	0	0	110.8	A137 I230 L233 M421 F425	V133-A137 WeakPolarHBondContact O-CB 3.37Å; V133-A137 PolarHBondContact O-N 3.45Å; V133-I230 HydrophobicContact CB-CD1 4.37Å; V133-I230 HydrophobicContact CG2-CD1 3.6Å; V133-L233 HydrophobicContact CG1-CD1 4.49Å; V133-M421 HydrophobicContact CG1-CB 4.2Å; V133-M421 HydrophobicContact CG1-CG 4.09Å; V133-M421 HydrophobicContact CG1-SD 4.37Å; V133-M421 HydrophobicContact CG2-CG 4.08Å; V133-M421 HydrophobicContact CG2-SD 3.92Å; V133-F425 HydrophobicContact CG1-CE1 3.62Å; V133-F425 HydrophobicContact CG1-CE2 4.13Å; V133-F425 HydrophobicContact CG1-CZ 3.36Å
134	L	98.8	Very high	98.7	Very high	9 Å²	9	11.3 Å²	11.3	5%	0.047	6%	0.06	C	C	.	.	H	α-helix	trans	-66.1	-60.1	-177.7	-165.2	-161.1	0	0	0	111.2	G132 S136 A137 L138 A284 L406 G407 A424 I428	G132-L134 VanDerWaalsContact C-N 3.35Å; G132-L134 PolarHBondContact O-N 2.83Å; L134-S136 VanDerWaalsContact C-N 3.32Å; L134-S136 PolarHBondContact O-N 2.9Å; L134-A137 PolarHBondContact O-N 3.34Å; L134-L138 HydrophobicContact CD2-CB 3.78Å; L134-L138 HydrophobicContact CD2-CD2 3.91Å; L134-L138 HydrophobicContact CD2-CG 4.43Å; L134-L138 VanDerWaalsContact O-CB 3.29Å; L134-L138 WeakPolarHBondContact O-CB 3.18Å; L134-L138 PolarHBondContact O-N 3.27Å; L134-A284 HydrophobicContact CB-CB 4.3Å; L134-A284 HydrophobicContact CD1-CB 3.56Å; L134-A284 HydrophobicContact CG-CB 4.38Å; L134-L406 HydrophobicContact CD1-CB 3.31Å; L134-L406 WeakPolarHBondContact CD1-O 3.39Å; L134-L406 HydrophobicContact CD2-CB 4.49Å; L134-L406 HydrophobicContact CG-CB 4.35Å; L134-G407 VanDerWaalsContact CD1-N 3.3Å; L134-A424 HydrophobicContact CB-CB 4.46Å; L134-I428 HydrophobicContact CD2-CD1 4Å; L134-I428 HydrophobicContact CD2-CG1 3.83Å; L134-I428 HydrophobicContact CG-CD1 4.46Å
135	G	98.8	Very high	98.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.4	-38.6	-170.1	0	0	0	0	0	113.2	G130 A139	G130-G135 WeakPolarHBondContact O-CA 2.86Å; G135-A139 WeakPolarHBondContact O-CB 3.48Å; G135-A139 PolarHBondContact O-N 2.89Å
136	S	98.9	Very high	98.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.5	-46.9	177.8	-50.1	0	0	0	0	111.7	A131 G132 L134 A139 A140 R234 A237	A131-S136 VanDerWaalsContact C-OG 3.31Å; A131-S136 PolarHBondContact O-OG 2.99Å; A131-S136 VanDerWaalsContact O-OG 3.13Å; G132-S136 VanDerWaalsContact O-CB 3.26Å; G132-S136 WeakPolarHBondContact O-CB 3.04Å; G132-S136 PolarHBondContact O-N 3.45Å; G132-S136 VanDerWaalsContact O-N 3.13Å; G132-S136 PolarHBondContact O-OG 2.76Å; L134-S136 VanDerWaalsContact C-N 3.32Å; L134-S136 PolarHBondContact O-N 2.9Å; S136-A139 PolarHBondContact O-N 3.31Å; S136-A140 PolarHBondContact O-N 2.78Å; S136-A140 VanDerWaalsContact O-N 3.11Å; S136-R234 WeakPolarHBondContact OG-CG 3.45Å; S136-A237 WeakPolarHBondContact O-CB 3.18Å
137	A	98.9	Very high	98.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.9	-40.2	178.8	0	0	0	0	0	112.2	V133 L134 A140 V141 L180 L233 F425 I428	V133-A137 WeakPolarHBondContact O-CB 3.37Å; V133-A137 PolarHBondContact O-N 3.45Å; L134-A137 PolarHBondContact O-N 3.34Å; A137-A140 PolarHBondContact O-N 3.28Å; A137-V141 WeakPolarHBondContact O-CG1 3.02Å; A137-V141 WeakPolarHBondContact O-CG2 3.33Å; A137-V141 PolarHBondContact O-N 3.07Å; A137-V141 VanDerWaalsContact O-N 3.14Å; A137-L180 HydrophobicContact CB-CD1 3.79Å; A137-L233 HydrophobicContact CB-CD2 4.31Å; A137-F425 HydrophobicContact CB-CD1 4.13Å; A137-F425 HydrophobicContact CB-CE1 3.73Å; A137-I428 HydrophobicContact CB-CD1 3.72Å
138	L	98.9	Very high	98.7	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-64.2	-43.6	176.1	-173.9	63.8	0	0	0	111.5	I128 L134 A140 V141 L142 V282 L406 I428	I128-L138 HydrophobicContact CD1-CB 4.23Å; I128-L138 HydrophobicContact CD1-CD2 4.12Å; I128-L138 HydrophobicContact CD1-CG 4.1Å; L134-L138 HydrophobicContact CD2-CB 3.78Å; L134-L138 HydrophobicContact CD2-CD2 3.91Å; L134-L138 HydrophobicContact CD2-CG 4.43Å; L134-L138 VanDerWaalsContact O-CB 3.29Å; L134-L138 WeakPolarHBondContact O-CB 3.18Å; L134-L138 PolarHBondContact O-N 3.27Å; L138-A140 VanDerWaalsContact C-N 3.35Å; L138-A140 PolarHBondContact O-N 2.96Å; L138-V141 HydrophobicContact CD1-CG2 4.26Å; L138-V141 WeakPolarHBondContact O-CG2 3.36Å; L138-V141 PolarHBondContact O-N 2.88Å; L138-L142 HydrophobicContact CD1-CD1 3.75Å; L138-L142 HydrophobicContact CD1-CD2 4.25Å; L138-L142 HydrophobicContact CD1-CG 3.76Å; L138-L142 HydrophobicContact CD2-CD1 4.28Å; L138-L142 HydrophobicContact CG-CD1 3.73Å; L138-L142 HydrophobicContact CG-CG 4.07Å; L138-L142 WeakPolarHBondContact O-CB 3.48Å; L138-L142 WeakPolarHBondContact O-CG 3.48Å; L138-L142 PolarHBondContact O-N 3.43Å; L138-V282 HydrophobicContact CD2-CB 4.35Å; L138-V282 HydrophobicContact CD2-CG1 3.81Å; L138-V282 HydrophobicContact CD2-CG2 4.17Å; L138-L406 HydrophobicContact CD2-CD1 4.49Å; L138-I428 HydrophobicContact CB-CD1 4.46Å; L138-I428 HydrophobicContact CB-CG1 4.2Å; L138-I428 HydrophobicContact CD1-CG1 4.27Å; L138-I428 HydrophobicContact CD1-CG2 4.09Å
139	A	98.9	Very high	98.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.8	-48	176.9	0	0	0	0	0	111.3	I128 G135 S136 V141 S143 V149 V151 A237 F245	I128-A139 HydrophobicContact CD1-CB 3.92Å; G135-A139 WeakPolarHBondContact O-CB 3.48Å; G135-A139 PolarHBondContact O-N 2.89Å; S136-A139 PolarHBondContact O-N 3.31Å; A139-V141 PolarHBondContact O-N 3.13Å; A139-S143 WeakPolarHBondContact O-CB 3.44Å; A139-S143 PolarHBondContact O-N 2.98Å; A139-S143 PolarHBondContact O-OG 3.45Å; A139-V149 HydrophobicContact CB-CG1 4.14Å; A139-V151 HydrophobicContact CB-CG2 3.52Å; A139-A237 HydrophobicContact CB-CB 4.15Å; A139-F245 HydrophobicContact CB-CZ 4.32Å
140	A	98.9	Very high	98.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.5	-50.3	178.2	0	0	0	0	0	111.7	S136 A137 L138 S143 R144 L180 A237	S136-A140 PolarHBondContact O-N 2.78Å; S136-A140 VanDerWaalsContact O-N 3.11Å; A137-A140 PolarHBondContact O-N 3.28Å; L138-A140 VanDerWaalsContact C-N 3.35Å; L138-A140 PolarHBondContact O-N 2.96Å; A140-S143 PolarHBondContact O-N 3.44Å; A140-R144 VanDerWaalsContact O-CG 3.3Å; A140-R144 WeakPolarHBondContact O-CG 3.33Å; A140-R144 PolarHBondContact O-N 2.87Å; A140-R144 VanDerWaalsContact O-N 3.08Å; A140-L180 HydrophobicContact CB-CD1 4.49Å; A140-L180 HydrophobicContact CB-CD2 3.98Å; A140-A237 HydrophobicContact CB-CB 3.91Å
141	V	98.8	Very high	98.7	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-71.6	-37.3	-174.3	-58.4	0	0	0	0	113.2	A137 L138 A139 D145 L178 L180 I428 R432	A137-V141 WeakPolarHBondContact O-CG1 3.02Å; A137-V141 WeakPolarHBondContact O-CG2 3.33Å; A137-V141 PolarHBondContact O-N 3.07Å; A137-V141 VanDerWaalsContact O-N 3.14Å; L138-V141 HydrophobicContact CD1-CG2 4.26Å; L138-V141 WeakPolarHBondContact O-CG2 3.36Å; L138-V141 PolarHBondContact O-N 2.88Å; A139-V141 PolarHBondContact O-N 3.13Å; V141-D145 PolarHBondContact O-N 3.27Å; V141-D145 VanDerWaalsContact O-N 3.14Å; V141-L178 HydrophobicContact CG1-CB 3.97Å; V141-L178 HydrophobicContact CG1-CD2 4.18Å; V141-L178 HydrophobicContact CG1-CG 4.49Å; V141-L180 HydrophobicContact CG1-CD1 4.1Å; V141-I428 HydrophobicContact CG2-CG2 3.69Å; V141-R432 HydrophobicContact CG2-CG 4.4Å
142	L	98.8	Very high	98.7	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-70.6	-37.6	177.3	-66.8	-174.9	0	0	0	111.3	V126 L138 D145 G146 R147 V149 L435	V126-L142 HydrophobicContact CG1-CD1 4.39Å; V126-L142 HydrophobicContact CG2-CD1 4.43Å; L138-L142 HydrophobicContact CD1-CD1 3.75Å; L138-L142 HydrophobicContact CD1-CD2 4.25Å; L138-L142 HydrophobicContact CD1-CG 3.76Å; L138-L142 HydrophobicContact CD2-CD1 4.28Å; L138-L142 HydrophobicContact CG-CD1 3.73Å; L138-L142 HydrophobicContact CG-CG 4.07Å; L138-L142 WeakPolarHBondContact O-CB 3.48Å; L138-L142 WeakPolarHBondContact O-CG 3.48Å; L138-L142 PolarHBondContact O-N 3.43Å; L142-D145 CarbonylContact O-C 3.58Å; L142-D145 PolarHBondContact O-N 3.34Å; L142-D145 VanDerWaalsContact O-N 3.16Å; L142-G146 PolarHBondContact O-N 3.2Å; L142-R147 HydrophobicContact CB-CB 4.2Å; L142-R147 HydrophobicContact CB-CG 4.28Å; L142-R147 WeakPolarHBondContact O-CB 3.47Å; L142-R147 PolarHBondContact O-N 3.34Å; L142-V149 HydrophobicContact CB-CG2 3.91Å; L142-L435 HydrophobicContact CD1-CD1 4.19Å; L142-L435 HydrophobicContact CD2-CD1 3.9Å
143	S	98.7	Very high	98.7	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.014	9%	0.088	C	C	.	.	H	α-helix	trans	-63.9	-41.9	176.9	-57.5	0	0	0	0	111.9	A139 A140 D145 G146 R147 N242 A243	A139-S143 WeakPolarHBondContact O-CB 3.44Å; A139-S143 PolarHBondContact O-N 2.98Å; A139-S143 PolarHBondContact O-OG 3.45Å; A140-S143 PolarHBondContact O-N 3.44Å; S143-D145 VanDerWaalsContact C-N 3.26Å; S143-D145 PolarHBondContact O-N 3.34Å; S143-G146 PolarHBondContact O-N 3.29Å; S143-R147 WeakPolarHBondContact CA-O 3.34Å; S143-N242 PolarHBondContact O-ND2 2.97Å; S143-N242 VanDerWaalsContact O-ND2 3.15Å; S143-A243 WeakPolarHBondContact OG-CB 3.4Å
144	R	98.5	Very high	98.7	Very high	98 Å²	98	22.8 Å²	22.8	37%	0.37	11%	0.109	S	C	.	.	H	α-helix	trans	-62.3	-32.4	172.5	-73.6	174.7	-173.4	177.5	1	113.5	A140 G146 G179 E240	A140-R144 VanDerWaalsContact O-CG 3.3Å; A140-R144 WeakPolarHBondContact O-CG 3.33Å; A140-R144 PolarHBondContact O-N 2.87Å; A140-R144 VanDerWaalsContact O-N 3.08Å; R144-G146 PolarHBondContact O-N 2.95Å; R144-G179 PolarHBondContact NH1-O 3.36Å; R144-E240 VanDerWaalsContact CG-CD 3.41Å; R144-E240 HydrophobicContact CG-CG 4.3Å; R144-E240 WeakPolarHBondContact CG-OE1 3.37Å; R144-E240 WeakPolarHBondContact CG-OE2 3.33Å; R144-E240 IonicContact CZ-OE1 2.78Å; R144-E240 VanDerWaalsContact CZ-OE1 3.31Å; R144-E240 IonicContact NE-OE1 3.94Å; R144-E240 PolarHBondContact NE-OE1 3.25Å; R144-E240 IonicContact NE-OE2 3.31Å; R144-E240 IonicContact NH2-OE1 3.18Å; R144-E240 PolarHBondContact NH2-OE1 3.46Å
145	D	98.4	Very high	98.7	Very high	47 Å²	47	25.2 Å²	25.2	25%	0.251	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	5.9	176.9	-67.9	-24.9	0	0	0	112.5	V141 L142 S143 R432 K436	V141-D145 PolarHBondContact O-N 3.27Å; V141-D145 VanDerWaalsContact O-N 3.14Å; L142-D145 CarbonylContact O-C 3.58Å; L142-D145 PolarHBondContact O-N 3.34Å; L142-D145 VanDerWaalsContact O-N 3.16Å; S143-D145 VanDerWaalsContact C-N 3.26Å; S143-D145 PolarHBondContact O-N 3.34Å; D145-R432 IonicContact OD1-CZ 3.68Å; D145-R432 IonicContact OD1-NE 2.76Å; D145-R432 PolarHBondContact OD1-NE 3.23Å; D145-R432 IonicContact OD1-NH2 3.7Å; D145-R432 PolarHBondContact OD1-NH2 3.18Å; D145-R432 WeakPolarHBondContact OD2-CD 3.38Å; D145-R432 WeakPolarHBondContact OD2-CG 3.27Å; D145-R432 IonicContact OD2-CZ 2.88Å; D145-R432 IonicContact OD2-NE 3.52Å; D145-R432 PolarHBondContact OD2-NE 3.07Å; D145-R432 IonicContact OD2-NH2 3.9Å; D145-K436 WeakPolarHBondContact OD1-CE 3.46Å; D145-K436 IonicContact OD1-NZ 3.57Å; D145-K436 PolarHBondContact OD1-NZ 3.21Å; D145-K436 WeakPolarHBondContact OD2-CE 3.28Å; D145-K436 IonicContact OD2-NZ 2.8Å
146	G	98.1	Very high	98.7	Very high	46 Å²	46	26.8 Å²	26.8	47%	0.474	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.2	0.8	171.6	0	0	0	0	0	115.3	L142 S143 R144	L142-G146 PolarHBondContact O-N 3.2Å; S143-G146 PolarHBondContact O-N 3.29Å; R144-G146 PolarHBondContact O-N 2.95Å
147	R	98.4	Very high	98.7	Very high	23 Å²	23	33.9 Å²	33.9	9%	0.087	16%	0.161	C	C	.	.			trans	-76.8	137.6	179.9	-59	-60.2	-176.5	173.9	-1.4	111.8	E125 L142 S143 V149 N242 L435 I438 P439	E125-R147 WeakPolarHBondContact OE1-CD 3.26Å; E125-R147 IonicContact OE1-CZ 3.37Å; E125-R147 IonicContact OE1-NE 2.75Å; E125-R147 IonicContact OE1-NH1 3.74Å; E125-R147 PolarHBondContact OE1-NH1 3.18Å; E125-R147 WeakPolarHBondContact OE2-CA 3.48Å; L142-R147 HydrophobicContact CB-CB 4.2Å; L142-R147 HydrophobicContact CB-CG 4.28Å; L142-R147 WeakPolarHBondContact O-CB 3.47Å; L142-R147 PolarHBondContact O-N 3.34Å; S143-R147 WeakPolarHBondContact CA-O 3.34Å; R147-V149 HydrophobicContact CB-CG2 4.01Å; R147-V149 PolarHBondContact O-N 3.28Å; R147-N242 VanDerWaalsContact O-CB 3.26Å; R147-N242 WeakPolarHBondContact O-CB 3.39Å; R147-L435 PolarHBondContact NH2-O 2.8Å; R147-I438 PolarHBondContact NH2-O 3.13Å; R147-P439 PolarHBondContact NH1-O 2.9Å
148	K	98.6	Very high	98.6	Very high	72 Å²	72	39 Å²	39	31%	0.313	19%	0.185	S	C	.	.			trans	-78.5	105.5	167.8	-170.6	177	173	-163.1	0	110.2	Q121 N122 D123 E125 V126	Q121-K148 PolarHBondContact O-NZ 2.83Å; N122-K148 PolarHBondContact O-NZ 3.02Å; D123-K148 WeakPolarHBondContact O-CD 3.18Å; D123-K148 WeakPolarHBondContact O-CE 3.32Å; D123-K148 PolarHBondContact O-NZ 3.01Å; E125-K148 HydrophobicContact CG-CB 4.48Å; E125-K148 PolarHBondContact N-O 2.74Å; E125-K148 PolarHBondContact OE2-N 3.2Å; V126-K148 PolarHBondContact N-O 2.91Å
149	V	98.8	Very high	98.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.8	-173	-176.3	0	0	0	0	110.7	V126 I128 A139 L142 R147 V151 N242 A243 K244	V126-V149 HydrophobicContact CB-CG2 4.4Å; V126-V149 WeakPolarHBondContact O-CA 3.38Å; I128-V149 HydrophobicContact CD1-CG1 3.62Å; I128-V149 HydrophobicContact CG1-CG1 3.98Å; A139-V149 HydrophobicContact CB-CG1 4.14Å; L142-V149 HydrophobicContact CB-CG2 3.91Å; R147-V149 HydrophobicContact CB-CG2 4.01Å; R147-V149 PolarHBondContact O-N 3.28Å; V149-V151 HydrophobicContact CG1-CG2 4.09Å; V149-N242 PolarHBondContact N-O 3.31Å; V149-A243 WeakPolarHBondContact O-CA 3.44Å; V149-K244 PolarHBondContact O-N 3.22Å
150	T	98.9	Very high	98.4	Very high	9 Å²	9	45.5 Å²	45.5	6%	0.055	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.8	166.4	-61.6	0	0	0	0	110.7	V126 I127 I128 K244 I246 L276	V126-T150 PolarHBondContact O-N 2.77Å; I127-T150 CarbonylContact C-O 3.54Å; I127-T150 WeakPolarHBondContact CA-O 3.31Å; I128-T150 PolarHBondContact N-O 2.94Å; T150-K244 CarbonylContact C-O 3.53Å; T150-K244 VanDerWaalsContact CA-O 3.31Å; T150-K244 WeakPolarHBondContact CA-O 3.47Å; T150-K244 HydrophobicContact CG2-CB 4.46Å; T150-I246 HydrophobicContact CG2-CD1 3.64Å; T150-I246 HydrophobicContact CG2-CG1 4.1Å; T150-L276 HydrophobicContact CG2-CD2 3.64Å
151	V	98.9	Very high	98.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.2	179.4	-168.6	0	0	0	0	109.5	I128 A131 A139 V149 K244 F245 I246	I128-V151 HydrophobicContact CB-CB 4.5Å; I128-V151 HydrophobicContact CB-CG1 4.22Å; I128-V151 HydrophobicContact CB-CG2 4.21Å; I128-V151 HydrophobicContact CD1-CG2 4.45Å; I128-V151 HydrophobicContact CG2-CG1 4.28Å; I128-V151 WeakPolarHBondContact O-CA 3.29Å; A131-V151 HydrophobicContact CB-CG1 3.79Å; A139-V151 HydrophobicContact CB-CG2 3.52Å; V149-V151 HydrophobicContact CG1-CG2 4.09Å; V151-K244 PolarHBondContact N-O 3.44Å; V151-F245 HydrophobicContact CB-CD1 3.88Å; V151-F245 HydrophobicContact CB-CE1 3.81Å; V151-F245 HydrophobicContact CB-CG 4.28Å; V151-F245 HydrophobicContact CB-CZ 4.12Å; V151-F245 HydrophobicContact CG1-CD1 4.19Å; V151-F245 HydrophobicContact CG1-CE1 3.89Å; V151-F245 HydrophobicContact CG1-CZ 4.48Å; V151-F245 HydrophobicContact CG2-CD1 4.41Å; V151-F245 HydrophobicContact CG2-CD2 4.49Å; V151-F245 HydrophobicContact CG2-CE1 3.98Å; V151-F245 HydrophobicContact CG2-CE2 4.06Å; V151-F245 HydrophobicContact CG2-CZ 3.77Å; V151-I246 PolarHBondContact O-N 2.88Å
152	I	98.9	Very high	97.8	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.4	176.1	-53.4	179.4	0	0	0	108.9	I127 I128 G130 I246 G248 V250 V263 Y265 L276	I127-I152 HydrophobicContact CG2-CD1 4.49Å; I128-I152 PolarHBondContact O-N 2.84Å; G130-I152 WeakPolarHBondContact CA-O 3.46Å; G130-I152 PolarHBondContact N-O 3.45Å; I152-I246 WeakPolarHBondContact CA-O 3.46Å; I152-I246 HydrophobicContact CG1-CB 4.37Å; I152-G248 WeakPolarHBondContact CG2-O 3.24Å; I152-V250 HydrophobicContact CB-CG2 3.88Å; I152-V250 HydrophobicContact CD1-CG2 4.05Å; I152-V250 HydrophobicContact CG2-CG2 3.7Å; I152-V263 HydrophobicContact CD1-CG2 3.68Å; I152-Y265 HydrophobicContact CD1-CD1 3.64Å; I152-Y265 HydrophobicContact CD1-CD2 4.3Å; I152-Y265 HydrophobicContact CD1-CE1 4.1Å; I152-Y265 HydrophobicContact CD1-CG 3.74Å; I152-Y265 HydrophobicContact CG2-CD2 4.35Å; I152-Y265 HydrophobicContact CG2-CG 4.42Å; I152-L276 HydrophobicContact CD1-CD2 4.39Å
153	E	98.8	Very high	97.2	Very high	17 Å²	17	51.6 Å²	51.6	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.4	-179.6	171	56.6	-138.2	0	0	111.5	G130 A131 D155 L156 R234 I246 E247 G248	G130-E153 WeakPolarHBondContact CA-OE2 3.44Å; A131-E153 HydrophobicContact CB-CB 3.6Å; A131-E153 HydrophobicContact CB-CG 3.88Å; A131-E153 PolarHBondContact N-OE2 3.45Å; E153-D155 VanDerWaalsContact C-N 3.32Å; E153-D155 WeakPolarHBondContact CG-O 3.32Å; E153-D155 PolarHBondContact O-N 3.09Å; E153-D155 PolarHBondContact OE1-N 3.01Å; E153-L156 HydrophobicContact CB-CD2 3.79Å; E153-L156 HydrophobicContact CB-CG 4.35Å; E153-L156 HydrophobicContact CG-CD2 3.9Å; E153-L156 HydrophobicContact CG-CG 4.38Å; E153-R234 IonicContact OE1-NH2 2.87Å; E153-R234 IonicContact OE2-NH2 3.09Å; E153-I246 PolarHBondContact N-O 2.93Å; E153-E247 CarbonylContact O-C 3.52Å; E153-E247 VanDerWaalsContact O-CA 3.31Å; E153-E247 WeakPolarHBondContact O-CA 3.38Å; E153-G248 CarbonylContact C-O 3.49Å; E153-G248 PolarHBondContact O-N 3.43Å; E153-G248 VanDerWaalsContact O-O 3.11Å
154	R	98.2	Very high	96.9	Very high	149 Å²	149	52.7 Å²	52.7	56%	0.562	26%	0.26	S	S	*	.	S	Bend	trans	-65.3	-33.4	-178	59.3	168.7	-164.5	131.5	15.8	113.6	G248 V249 K268	R154-G248 VanDerWaalsContact CA-O 3.27Å; R154-G248 WeakPolarHBondContact CA-O 3.39Å; R154-G248 PolarHBondContact N-O 3.21Å; R154-G248 VanDerWaalsContact N-O 3.16Å; R154-V249 HydrophobicContact CB-CG2 3.89Å; R154-K268 PolarHBondContact O-NZ 3.08Å
155	D	98.4	Very high	96.9	Very high	60 Å²	60	48.1 Å²	48.1	32%	0.321	24%	0.243	S	C	.	.			trans	-147.7	109.6	179.8	-165.3	-7	0	0	0	110.9	E153 K157 R234 E247 K268	E153-D155 VanDerWaalsContact C-N 3.32Å; E153-D155 WeakPolarHBondContact CG-O 3.32Å; E153-D155 PolarHBondContact O-N 3.09Å; E153-D155 PolarHBondContact OE1-N 3.01Å; D155-K157 VanDerWaalsContact C-N 3.27Å; D155-K157 VanDerWaalsContact OD1-CB 3.3Å; D155-K157 WeakPolarHBondContact OD1-CB 3.46Å; D155-K157 WeakPolarHBondContact OD1-CG 3.29Å; D155-K157 PolarHBondContact OD1-N 2.85Å; D155-R234 PolarHBondContact O-NH1 3.07Å; D155-R234 VanDerWaalsContact O-NH1 3.14Å; D155-R234 PolarHBondContact O-NH2 3.3Å; D155-E247 WeakPolarHBondContact CA-OE1 3.48Å; D155-K268 IonicContact OD1-NZ 2.66Å
156	L	98.4	Very high	96.9	Very high	32 Å²	32	46.5 Å²	46.5	17%	0.168	23%	0.234	C	C	.	.			trans	-81.6	-5.1	179.9	-74.1	175.8	0	0	0	113	A131 E153 M231 R234 M238 F245 E247	A131-L156 HydrophobicContact CB-CD2 4.47Å; E153-L156 HydrophobicContact CB-CD2 3.79Å; E153-L156 HydrophobicContact CB-CG 4.35Å; E153-L156 HydrophobicContact CG-CD2 3.9Å; E153-L156 HydrophobicContact CG-CG 4.38Å; L156-M231 WeakPolarHBondContact O-CE 3.47Å; L156-M231 VanDerWaalsContact O-SD 3.33Å; L156-R234 PolarHBondContact O-NH1 2.93Å; L156-M238 HydrophobicContact CD1-CE 3.94Å; L156-M238 HydrophobicContact CD2-CE 3.82Å; L156-M238 HydrophobicContact CG-CE 4.41Å; L156-F245 HydrophobicContact CD1-CB 4.44Å; L156-F245 HydrophobicContact CD2-CD1 3.99Å; L156-E247 HydrophobicContact CB-CG 4.29Å; L156-E247 HydrophobicContact CD1-CB 3.91Å; L156-E247 HydrophobicContact CD1-CG 4.16Å; L156-E247 HydrophobicContact CG-CB 4.28Å; L156-E247 HydrophobicContact CG-CG 3.99Å; L156-E247 PolarHBondContact N-OE1 3.38Å
157	K	98.5	Very high	97	Very high	149 Å²	149	44.3 Å²	44.3	65%	0.648	21%	0.211	S	C	*	.	S	Bend	trans	-72.7	166.7	173.3	-60.4	-179.2	-177.1	-178.9	0	112.2	D155 P159 R234	D155-K157 VanDerWaalsContact C-N 3.27Å; D155-K157 VanDerWaalsContact OD1-CB 3.3Å; D155-K157 WeakPolarHBondContact OD1-CB 3.46Å; D155-K157 WeakPolarHBondContact OD1-CG 3.29Å; D155-K157 PolarHBondContact OD1-N 2.85Å; K157-P159 WeakPolarHBondContact O-CD 3.24Å; K157-R234 PolarHBondContact O-NH1 2.87Å
158	E	98.5	Very high	97	Very high	109 Å²	109	43.2 Å²	43.2	51%	0.509	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-60.1	120	-179.4	-174.4	170.2	163.2	0	0	111.6	D160 G227 R228 M231	E158-D160 PolarHBondContact O-N 3.47Å; E158-G227 VanDerWaalsContact CG-C 3.49Å; E158-G227 VanDerWaalsContact CG-CA 3.49Å; E158-R228 WeakPolarHBondContact OE1-CG 3.48Å; E158-R228 PolarHBondContact OE1-N 3.43Å; E158-M231 HydrophobicContact CB-CG 3.75Å; E158-M231 HydrophobicContact CB-SD 4.31Å; E158-M231 HydrophobicContact CG-CG 3.95Å
159	P	97.4	Very high	97	Very high	22 Å²	22	39.9 Å²	39.9	14%	0.143	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-78.8	123.3	179.6	28.8	-32	0	0	0	111.7	K157 R161 G227 I230	K157-P159 WeakPolarHBondContact O-CD 3.24Å; P159-R161 HydrophobicContact CB-CG 4.39Å; P159-R161 PolarHBondContact O-N 2.94Å; P159-G227 WeakPolarHBondContact O-CA 3.18Å; P159-I230 HydrophobicContact CG-CB 3.82Å; P159-I230 HydrophobicContact CG-CG1 3.93Å; P159-I230 HydrophobicContact CG-CG2 3.85Å
160	D	96.2	Very high	96.9	Very high	116 Å²	116	40 Å²	40	62%	0.62	19%	0.194	S	C	*	.			trans	-85	104.2	168.8	176.5	14	0	0	0	110.2	E158 R386	E158-D160 PolarHBondContact O-N 3.47Å; D160-R386 VanDerWaalsContact C-NH1 3.29Å; D160-R386 PolarHBondContact O-NH1 3.48Å; D160-R386 PolarHBondContact O-NH2 3.34Å; D160-R386 IonicContact OD1-CZ 3.87Å; D160-R386 IonicContact OD1-NH1 3.89Å; D160-R386 PolarHBondContact OD1-NH1 2.73Å; D160-R386 IonicContact OD2-NH1 3.54Å; D160-R386 PolarHBondContact OD2-NH1 3.46Å
161	R	93.2	Very high	96.9	Very high	82 Å²	82	39.6 Å²	39.6	31%	0.309	19%	0.192	S	C	.	.			trans	-142.1	156.6	-179.6	-60.1	-173.6	-176.6	-159.9	4.2	111.6	P159 V163	P159-R161 HydrophobicContact CB-CG 4.39Å; P159-R161 PolarHBondContact O-N 2.94Å; R161-V163 HydrophobicContact CB-CG2 4.3Å
162	I	91.3	Very high	96.9	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	20%	0.195	C	C	.	.	S	Bend	trans	-97	3.7	176.6	64.9	168.3	0	0	0	114	L345 R386 M388	I162-L345 HydrophobicContact CD1-CD2 4.43Å; I162-R386 HydrophobicContact CD1-CB 4.12Å; I162-R386 WeakPolarHBondContact CD1-O 3.4Å; I162-R386 HydrophobicContact CG2-CB 3.9Å; I162-R386 HydrophobicContact CG2-CG 4.43Å; I162-M388 HydrophobicContact CD1-CB 4.19Å; I162-M388 HydrophobicContact CD1-CG 3.84Å; I162-M388 HydrophobicContact CG1-CB 4.4Å; I162-M388 HydrophobicContact CG1-CG 3.69Å
163	V	86.1	Confident	96.9	Very high	44 Å²	44	44.8 Å²	44.8	27%	0.267	22%	0.215	S	C	.	.	S	Bend	trans	-115	152.7	-176.4	-65.7	0	0	0	0	110	R161 H226 M388	R161-V163 HydrophobicContact CB-CG2 4.3Å; V163-H226 WeakPolarHBondContact O-CB 3.26Å; V163-H226 PolarHBondContact O-ND1 3.16Å; V163-M388 HydrophobicContact CG1-CB 4.07Å; V163-M388 HydrophobicContact CG1-CE 4.39Å; V163-M388 HydrophobicContact CG1-CG 4.02Å; V163-M388 HydrophobicContact CG2-CE 4.41Å
164	G	92.8	Very high	96.9	Very high	25 Å²	25	44.3 Å²	44.3	26%	0.258	21%	0.213	S	C	.	.	S	Bend	trans	73	33.4	176.7	0	0	0	0	0	113.8	H226 M421	G164-H226 PolarHBondContact O-ND1 2.89Å; G164-M421 WeakPolarHBondContact O-CE 3.44Å
165	E	98.3	Very high	96.9	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.014	19%	0.186	C	C	.	.			trans	-99.2	-4.2	-179.9	-67.7	-178.7	144.2	0	0	113.2	A223 F224 H226 Y335 I337 R343	E165-A223 CarbonylContact O-C 3.59Å; E165-A223 WeakPolarHBondContact O-CA 3.42Å; E165-F224 VanDerWaalsContact CA-O 3.31Å; E165-F224 WeakPolarHBondContact CA-O 3.45Å; E165-F224 WeakPolarHBondContact CB-O 3.39Å; E165-F224 WeakPolarHBondContact CG-O 3.45Å; E165-F224 PolarHBondContact O-N 2.95Å; E165-H226 HydrophobicContact CG-CB 3.92Å; E165-Y335 HydrophobicContact CB-CE2 3.86Å; E165-I337 HydrophobicContact CB-CG2 4.13Å; E165-R343 IonicContact OE1-CZ 3.88Å; E165-R343 IonicContact OE1-NE 3.96Å; E165-R343 IonicContact OE1-NH2 3.68Å; E165-R343 PolarHBondContact OE1-NH2 2.76Å; E165-R343 WeakPolarHBondContact OE2-CG 3.19Å; E165-R343 IonicContact OE2-CZ 2.74Å; E165-R343 IonicContact OE2-NE 2.64Å; E165-R343 PolarHBondContact OE2-NE 3.37Å; E165-R343 IonicContact OE2-NH2 3.58Å; E165-R343 PolarHBondContact OE2-NH2 2.86Å
166	F	98.6	Very high	96.9	Very high	12 Å²	12	39.3 Å²	39.3	5%	0.053	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	121.2	178.7	-176.1	-104	0	0	0	111	Q168 V192 Y195 F210 A223 Y335 M421	F166-Q168 HydrophobicContact CD1-CG 4.5Å; F166-Q168 VanDerWaalsContact CE1-CD 3.48Å; F166-Q168 HydrophobicContact CE1-CG 4.11Å; F166-V192 HydrophobicContact CD2-CG2 4.34Å; F166-V192 HydrophobicContact CE2-CB 3.69Å; F166-V192 HydrophobicContact CE2-CG1 3.83Å; F166-V192 HydrophobicContact CE2-CG2 3.67Å; F166-V192 HydrophobicContact CZ-CB 4.28Å; F166-V192 HydrophobicContact CZ-CG1 4.14Å; F166-Y195 WeakPolarHBondContact CE1-OH 3.33Å; F166-Y195 WeakPolarHBondContact CZ-OH 3.43Å; F166-F210 HydrophobicContact CZ-CE2 4.44Å; F166-F210 HydrophobicContact CZ-CZ 4.28Å; F166-A223 HydrophobicContact CD2-CB 4.01Å; F166-Y335 HydrophobicContact CB-CE2 4.46Å; F166-M421 VanDerWaalsContact C-CE 3.49Å; F166-M421 WeakPolarHBondContact O-CE 3.49Å
167	L	98.8	Very high	96.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	111.8	176.7	-174.9	60.3	0	0	0	109.6	Y172 L175 V184 G221 R222 F224 M421 F425	L167-Y172 HydrophobicContact CD2-CD2 4.42Å; L167-L175 HydrophobicContact CD2-CD2 3.97Å; L167-V184 HydrophobicContact CD2-CG1 4.48Å; L167-G221 VanDerWaalsContact O-CA 3.26Å; L167-G221 WeakPolarHBondContact O-CA 3.21Å; L167-R222 PolarHBondContact N-O 2.78Å; L167-R222 PolarHBondContact O-N 2.84Å; L167-F224 HydrophobicContact CB-CE1 3.98Å; L167-F224 HydrophobicContact CB-CZ 3.99Å; L167-M421 HydrophobicContact CB-CE 4.02Å; L167-M421 HydrophobicContact CD1-CB 3.96Å; L167-M421 HydrophobicContact CD1-CE 4.26Å; L167-F425 HydrophobicContact CD1-CD2 3.96Å; L167-F425 HydrophobicContact CD1-CE2 3.7Å; L167-F425 HydrophobicContact CD2-CE2 4.29Å
168	Q	98.6	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.			trans	-57.2	151.7	175.9	-70.4	-69.8	3.6	0	0	111.5	F166 G170 G171 Y172 Y195 T417 L509	F166-Q168 HydrophobicContact CD1-CG 4.5Å; F166-Q168 VanDerWaalsContact CE1-CD 3.48Å; F166-Q168 HydrophobicContact CE1-CG 4.11Å; Q168-G170 VanDerWaalsContact C-N 3.29Å; Q168-G170 PolarHBondContact O-N 3.19Å; Q168-G171 WeakPolarHBondContact O-CA 3.31Å; Q168-G171 PolarHBondContact O-N 3.12Å; Q168-Y172 PolarHBondContact O-N 3.16Å; Q168-Y195 PolarHBondContact NE2-OH 3.2Å; Q168-T417 PolarHBondContact NE2-O 2.86Å; Q168-L509 VanDerWaalsContact CD-O 3.3Å; Q168-L509 PolarHBondContact NE2-O 2.88Å
169	P	98.7	Very high	96.9	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.019	17%	0.169	C	C	.	.	H	α-helix	trans	-49.9	-44	179.1	-28.9	33.5	0	0	0	114.5	G171 Y172 H173 F210 Q219 L512	P169-G171 VanDerWaalsContact C-N 3.27Å; P169-G171 PolarHBondContact O-N 3.31Å; P169-Y172 PolarHBondContact O-N 3.25Å; P169-H173 WeakPolarHBondContact O-CB 3.46Å; P169-H173 PolarHBondContact O-N 2.8Å; P169-F210 HydrophobicContact CG-CD1 3.88Å; P169-F210 HydrophobicContact CG-CD2 3.78Å; P169-F210 HydrophobicContact CG-CE1 3.84Å; P169-F210 HydrophobicContact CG-CE2 3.72Å; P169-F210 HydrophobicContact CG-CG 3.87Å; P169-F210 HydrophobicContact CG-CZ 3.76Å; P169-Q219 VanDerWaalsContact CB-O 3.23Å; P169-Q219 WeakPolarHBondContact CB-O 3.44Å; P169-Q219 WeakPolarHBondContact CG-O 3.5Å; P169-L512 HydrophobicContact CB-CD1 3.83Å; P169-L512 HydrophobicContact CB-CD2 4.14Å; P169-L512 HydrophobicContact CB-CG 4.01Å
170	G	98.5	Very high	97	Very high	2 Å²	2	30 Å²	30	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-29.3	177.7	0	0	0	0	0	113.5	Q168 V174 S510	Q168-G170 VanDerWaalsContact C-N 3.29Å; Q168-G170 PolarHBondContact O-N 3.19Å; G170-V174 VanDerWaalsContact O-CG2 3.22Å; G170-V174 WeakPolarHBondContact O-CG2 3.12Å; G170-V174 PolarHBondContact O-N 2.91Å; G170-S510 WeakPolarHBondContact CA-O 3.34Å; G170-S510 PolarHBondContact N-O 3.4Å
171	G	98.6	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-72.6	-43	172.3	0	0	0	0	0	111.8	Q168 P169 V174 L175 T422	Q168-G171 WeakPolarHBondContact O-CA 3.31Å; Q168-G171 PolarHBondContact O-N 3.12Å; P169-G171 VanDerWaalsContact C-N 3.27Å; P169-G171 PolarHBondContact O-N 3.31Å; G171-V174 PolarHBondContact O-N 2.89Å; G171-L175 WeakPolarHBondContact O-CB 3.43Å; G171-L175 PolarHBondContact O-N 2.65Å; G171-T422 WeakPolarHBondContact CA-OG1 3.46Å
172	Y	98.8	Very high	97.3	Very high	16 Å²	16	27.6 Å²	27.6	6%	0.063	16%	0.159	C	C	.	.	H	α-helix	trans	-64.9	-40.5	176.6	-178.6	-139.1	0	0	0	112.2	L167 Q168 P169 L175 K176 V184 R222	L167-Y172 HydrophobicContact CD2-CD2 4.42Å; Q168-Y172 PolarHBondContact O-N 3.16Å; P169-Y172 PolarHBondContact O-N 3.25Å; Y172-L175 WeakPolarHBondContact O-CB 3.42Å; Y172-L175 PolarHBondContact O-N 2.93Å; Y172-K176 VanDerWaalsContact CE2-CE 3.44Å; Y172-K176 HydrophobicContact CE2-CG 4.33Å; Y172-K176 WeakPolarHBondContact O-CG 3.42Å; Y172-K176 PolarHBondContact O-N 3.14Å; Y172-K176 WeakPolarHBondContact OH-CE 3.46Å; Y172-K176 PolarHBondContact OH-NZ 2.84Å; Y172-V184 HydrophobicContact CD2-CG2 4.18Å; Y172-V184 HydrophobicContact CE2-CG2 3.43Å; Y172-V184 VanDerWaalsContact CE2-CG2 3.43Å; Y172-R222 HydrophobicContact CD1-CG 4.22Å; Y172-R222 HydrophobicContact CD2-CG 4.35Å; Y172-R222 HydrophobicContact CE1-CG 4.23Å; Y172-R222 HydrophobicContact CE2-CG 4.37Å; Y172-R222 HydrophobicContact CG-CG 4.27Å
173	H	98.4	Very high	97.7	Very high	96 Å²	96	27.8 Å²	27.8	44%	0.444	16%	0.16	S	C	.	.	H	α-helix	trans	-59.9	-47.9	173.9	-179	69.8	0	0	0	111.7	P169 L175 K176 D177	P169-H173 WeakPolarHBondContact O-CB 3.46Å; P169-H173 PolarHBondContact O-N 2.8Å; H173-L175 VanDerWaalsContact C-N 3.31Å; H173-L175 PolarHBondContact O-N 2.81Å; H173-K176 WeakPolarHBondContact O-CB 3.32Å; H173-K176 PolarHBondContact O-N 3.33Å; H173-K176 VanDerWaalsContact O-N 3.14Å; H173-D177 IonicContact CD2-OD2 3.15Å; H173-D177 IonicContact CE1-OD1 3.87Å; H173-D177 IonicContact NE2-OD1 3.86Å; H173-D177 IonicContact NE2-OD2 3.14Å; H173-D177 PolarHBondContact O-N 2.86Å
174	V	98.7	Very high	98.3	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.042	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-35.5	177.5	173.4	0	0	0	0	111.8	G170 G171 K176 D177 L178 F425 K426 K429	G170-V174 VanDerWaalsContact O-CG2 3.22Å; G170-V174 WeakPolarHBondContact O-CG2 3.12Å; G170-V174 PolarHBondContact O-N 2.91Å; G171-V174 PolarHBondContact O-N 2.89Å; V174-K176 VanDerWaalsContact C-N 3.27Å; V174-K176 PolarHBondContact O-N 3.4Å; V174-D177 WeakPolarHBondContact O-CB 3.45Å; V174-D177 PolarHBondContact O-N 3.29Å; V174-D177 VanDerWaalsContact O-N 3.16Å; V174-L178 HydrophobicContact CG1-CD1 4.25Å; V174-L178 HydrophobicContact CG1-CG 4.41Å; V174-L178 VanDerWaalsContact O-CG 3.3Å; V174-L178 WeakPolarHBondContact O-CG 3.27Å; V174-L178 PolarHBondContact O-N 2.87Å; V174-F425 HydrophobicContact CB-CB 4.43Å; V174-F425 HydrophobicContact CG1-CB 3.87Å; V174-F425 WeakPolarHBondContact CG1-O 3.35Å; V174-K426 HydrophobicContact CG1-CG 4.41Å; V174-K426 HydrophobicContact CG2-CG 3.85Å; V174-K429 HydrophobicContact CG1-CB 4.09Å; V174-K429 HydrophobicContact CG1-CD 4.09Å
175	L	98.8	Very high	98.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.3	-38.8	174	-171.2	69.7	0	0	0	111.5	L167 G171 Y172 H173 L178 L180 G181 V184 F229 L233 F425	L167-L175 HydrophobicContact CD2-CD2 3.97Å; G171-L175 WeakPolarHBondContact O-CB 3.43Å; G171-L175 PolarHBondContact O-N 2.65Å; Y172-L175 WeakPolarHBondContact O-CB 3.42Å; Y172-L175 PolarHBondContact O-N 2.93Å; H173-L175 VanDerWaalsContact C-N 3.31Å; H173-L175 PolarHBondContact O-N 2.81Å; L175-L178 PolarHBondContact O-N 3.41Å; L175-L180 HydrophobicContact CD1-CB 3.58Å; L175-L180 HydrophobicContact CD1-CD1 4.24Å; L175-L180 HydrophobicContact CG-CB 3.97Å; L175-L180 CarbonylContact O-C 3.49Å; L175-L180 WeakPolarHBondContact O-CA 3.44Å; L175-L180 PolarHBondContact O-N 3.22Å; L175-G181 PolarHBondContact O-N 3.38Å; L175-V184 HydrophobicContact CD2-CG1 3.93Å; L175-F229 HydrophobicContact CD2-CE2 4.04Å; L175-F229 HydrophobicContact CD2-CZ 4Å; L175-L233 HydrophobicContact CD1-CD2 4.36Å; L175-F425 HydrophobicContact CD1-CD1 4.09Å; L175-F425 HydrophobicContact CD1-CD2 4.42Å; L175-F425 HydrophobicContact CD1-CE1 3.76Å; L175-F425 HydrophobicContact CD1-CE2 4.09Å; L175-F425 HydrophobicContact CD1-CG 4.44Å; L175-F425 HydrophobicContact CD1-CZ 3.76Å
176	K	98.6	Very high	98.5	Very high	105 Å²	105	33.5 Å²	33.5	46%	0.457	20%	0.2	S	C	.	.	H	α-helix	trans	-65.2	-44.3	171.5	-67.2	-177.1	-176.7	-170.7	0	112.2	Y172 H173 V174 L178 G179	Y172-K176 VanDerWaalsContact CE2-CE 3.44Å; Y172-K176 HydrophobicContact CE2-CG 4.33Å; Y172-K176 WeakPolarHBondContact O-CG 3.42Å; Y172-K176 PolarHBondContact O-N 3.14Å; Y172-K176 WeakPolarHBondContact OH-CE 3.46Å; Y172-K176 PolarHBondContact OH-NZ 2.84Å; H173-K176 WeakPolarHBondContact O-CB 3.32Å; H173-K176 PolarHBondContact O-N 3.33Å; H173-K176 VanDerWaalsContact O-N 3.14Å; V174-K176 VanDerWaalsContact C-N 3.27Å; V174-K176 PolarHBondContact O-N 3.4Å; K176-L178 PolarHBondContact O-N 3.46Å; K176-G179 WeakPolarHBondContact O-CA 3.43Å; K176-G179 PolarHBondContact O-N 3Å
177	D	98.4	Very high	98.5	Very high	66 Å²	66	33.6 Å²	33.6	35%	0.353	20%	0.201	S	C	.	.	H	α-helix	trans	-59.3	-31.2	176.6	-66.1	-15.5	0	0	0	112.7	H173 V174 G179 K429	H173-D177 IonicContact CD2-OD2 3.15Å; H173-D177 IonicContact CE1-OD1 3.87Å; H173-D177 IonicContact NE2-OD1 3.86Å; H173-D177 IonicContact NE2-OD2 3.14Å; H173-D177 PolarHBondContact O-N 2.86Å; V174-D177 WeakPolarHBondContact O-CB 3.45Å; V174-D177 PolarHBondContact O-N 3.29Å; V174-D177 VanDerWaalsContact O-N 3.16Å; D177-G179 PolarHBondContact O-N 3.23Å; D177-K429 IonicContact OD2-NZ 3.29Å; D177-K429 PolarHBondContact OD2-NZ 2.99Å
178	L	98.6	Very high	98.5	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-3.4	175.1	-66.7	176.2	0	0	0	113	V141 V174 L175 K176 L180 F425 I428 K429	V141-L178 HydrophobicContact CG1-CB 3.97Å; V141-L178 HydrophobicContact CG1-CD2 4.18Å; V141-L178 HydrophobicContact CG1-CG 4.49Å; V174-L178 HydrophobicContact CG1-CD1 4.25Å; V174-L178 HydrophobicContact CG1-CG 4.41Å; V174-L178 VanDerWaalsContact O-CG 3.3Å; V174-L178 WeakPolarHBondContact O-CG 3.27Å; V174-L178 PolarHBondContact O-N 2.87Å; L175-L178 PolarHBondContact O-N 3.41Å; K176-L178 PolarHBondContact O-N 3.46Å; L178-L180 VanDerWaalsContact C-N 3.32Å; L178-L180 HydrophobicContact CB-CD1 4.36Å; L178-L180 HydrophobicContact CB-CG 4.46Å; L178-F425 HydrophobicContact CD1-CB 4.39Å; L178-I428 HydrophobicContact CD1-CB 4.24Å; L178-I428 HydrophobicContact CD1-CG2 3.77Å; L178-I428 HydrophobicContact CD2-CG2 4.14Å; L178-K429 HydrophobicContact CD2-CB 4.09Å; L178-K429 HydrophobicContact CD2-CG 4.41Å
179	G	98.6	Very high	98.5	Very high	44 Å²	44	37.9 Å²	37.9	45%	0.454	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	26.2	-175.7	0	0	0	0	0	112.9	R144 K176 D177	R144-G179 PolarHBondContact NH1-O 3.36Å; K176-G179 WeakPolarHBondContact O-CA 3.43Å; K176-G179 PolarHBondContact O-N 3Å; D177-G179 PolarHBondContact O-N 3.23Å
180	L	98.8	Very high	98.5	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	23%	0.234	C	C	.	.			trans	-116.3	16.6	-178.8	-65.5	174	0	0	0	111.9	A137 A140 V141 L175 L178 D182 T183 L233 A236	A137-L180 HydrophobicContact CB-CD1 3.79Å; A140-L180 HydrophobicContact CB-CD1 4.49Å; A140-L180 HydrophobicContact CB-CD2 3.98Å; V141-L180 HydrophobicContact CG1-CD1 4.1Å; L175-L180 HydrophobicContact CD1-CB 3.58Å; L175-L180 HydrophobicContact CD1-CD1 4.24Å; L175-L180 HydrophobicContact CG-CB 3.97Å; L175-L180 CarbonylContact O-C 3.49Å; L175-L180 WeakPolarHBondContact O-CA 3.44Å; L175-L180 PolarHBondContact O-N 3.22Å; L178-L180 VanDerWaalsContact C-N 3.32Å; L178-L180 HydrophobicContact CB-CD1 4.36Å; L178-L180 HydrophobicContact CB-CG 4.46Å; L180-D182 VanDerWaalsContact C-N 3.26Å; L180-D182 PolarHBondContact O-N 3.27Å; L180-T183 HydrophobicContact CB-CG2 4.25Å; L180-T183 HydrophobicContact CD2-CG2 4.26Å; L180-T183 WeakPolarHBondContact O-CB 3.27Å; L180-T183 WeakPolarHBondContact O-CG2 3.45Å; L180-T183 PolarHBondContact O-N 3.49Å; L180-T183 VanDerWaalsContact O-N 3.11Å; L180-T183 PolarHBondContact O-OG1 3.27Å; L180-L233 HydrophobicContact CD1-CD2 4.46Å; L180-A236 HydrophobicContact CD2-CB 4.13Å
181	G	98.1	Very high	98.5	Very high	11 Å²	11	40.5 Å²	40.5	11%	0.113	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-55.5	-38.8	-179.1	0	0	0	0	0	113.6	L175 T183 V184	L175-G181 PolarHBondContact O-N 3.38Å; G181-T183 PolarHBondContact O-N 2.93Å; G181-T183 VanDerWaalsContact O-N 3.1Å; G181-V184 WeakPolarHBondContact O-CG2 3.47Å; G181-V184 PolarHBondContact O-N 3.36Å
182	D	98.4	Very high	98.5	Very high	137 Å²	137	40.7 Å²	40.7	73%	0.733	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-67.4	-13.4	-177.7	-56	-26.8	0	0	0	113.1	L180 V184 E185	L180-D182 VanDerWaalsContact C-N 3.26Å; L180-D182 PolarHBondContact O-N 3.27Å; D182-V184 PolarHBondContact O-N 2.8Å; D182-E185 WeakPolarHBondContact O-CB 3.38Å; D182-E185 PolarHBondContact O-N 2.84Å
183	T	98.7	Very high	98.5	Very high	7 Å²	7	42 Å²	42	4%	0.043	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-72.5	-8	-177.4	64.5	0	0	0	0	114.2	L180 G181 L187 F229 S232 L233 A236	L180-T183 HydrophobicContact CB-CG2 4.25Å; L180-T183 HydrophobicContact CD2-CG2 4.26Å; L180-T183 WeakPolarHBondContact O-CB 3.27Å; L180-T183 WeakPolarHBondContact O-CG2 3.45Å; L180-T183 PolarHBondContact O-N 3.49Å; L180-T183 VanDerWaalsContact O-N 3.11Å; L180-T183 PolarHBondContact O-OG1 3.27Å; G181-T183 PolarHBondContact O-N 2.93Å; G181-T183 VanDerWaalsContact O-N 3.1Å; T183-L187 WeakPolarHBondContact O-CD1 3.38Å; T183-F229 WeakPolarHBondContact O-CD2 3.3Å; T183-S232 WeakPolarHBondContact CA-OG 3.28Å; T183-S232 VanDerWaalsContact O-CB 3.26Å; T183-S232 WeakPolarHBondContact O-CB 3.28Å; T183-S232 PolarHBondContact O-OG 3.22Å; T183-L233 HydrophobicContact CG2-CD2 4.12Å; T183-A236 HydrophobicContact CG2-CB 3.8Å
184	V	98.3	Very high	98.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-99.7	-3.6	170.2	-59.5	0	0	0	0	113.1	L167 Y172 L175 G181 D182 A189 R222 F224 F229	L167-V184 HydrophobicContact CD2-CG1 4.48Å; Y172-V184 HydrophobicContact CD2-CG2 4.18Å; Y172-V184 HydrophobicContact CE2-CG2 3.43Å; Y172-V184 VanDerWaalsContact CE2-CG2 3.43Å; L175-V184 HydrophobicContact CD2-CG1 3.93Å; G181-V184 WeakPolarHBondContact O-CG2 3.47Å; G181-V184 PolarHBondContact O-N 3.36Å; D182-V184 PolarHBondContact O-N 2.8Å; V184-A189 WeakPolarHBondContact O-CB 3.3Å; V184-R222 HydrophobicContact CG2-CG 4.32Å; V184-F224 HydrophobicContact CG1-CD1 4.45Å; V184-F224 HydrophobicContact CG1-CE1 3.94Å; V184-F229 HydrophobicContact CG1-CD2 3.97Å; V184-F229 HydrophobicContact CG1-CE2 3.62Å; V184-F229 HydrophobicContact CG1-CZ 4.39Å
185	E	97.9	Very high	98.4	Very high	104 Å²	104	38.2 Å²	38.2	49%	0.486	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	150.1	-179.9	-55.6	-57.3	146.5	0	0	110.7	D182 L187	D182-E185 WeakPolarHBondContact O-CB 3.38Å; D182-E185 PolarHBondContact O-N 2.84Å; E185-L187 PolarHBondContact O-N 3.42Å
186	G	97.7	Very high	98.4	Very high	87 Å²	87	38.6 Å²	38.6	90%	0.897	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.5	9.3	-179	0	0	0	0	0	115.2
187	L	98.3	Very high	98.4	Very high	14 Å²	14	34.1 Å²	34.1	7%	0.073	22%	0.219	C	C	.	.	S	Bend	trans	-91.9	-2.7	179.9	-47.7	-173.4	0	0	0	114	T183 E185 A189 F224 R228 F229	T183-L187 WeakPolarHBondContact O-CD1 3.38Å; E185-L187 PolarHBondContact O-N 3.42Å; L187-A189 HydrophobicContact CB-CB 4.32Å; L187-F224 HydrophobicContact CD1-CB 4.43Å; L187-F224 HydrophobicContact CD1-CG 4.46Å; L187-R228 HydrophobicContact CB-CB 4.28Å; L187-R228 HydrophobicContact CD2-CB 4.04Å; L187-R228 WeakPolarHBondContact O-CD 3.37Å; L187-R228 PolarHBondContact O-NH1 3.15Å; L187-F229 HydrophobicContact CD1-CB 3.94Å; L187-F229 HydrophobicContact CD1-CD2 4.18Å
188	D	98.6	Very high	98.4	Very high	61 Å²	61	31.9 Å²	31.9	33%	0.326	21%	0.206	S	C	.	.			trans	59.3	34.8	-158.8	-169.9	22.8	0	0	0	111.9	Q190 S338 S339	D188-Q190 PolarHBondContact O-NE2 3.22Å; D188-Q190 PolarHBondContact OD1-NE2 3.24Å; D188-S338 WeakPolarHBondContact OD2-CB 3.24Å; D188-S339 PolarHBondContact OD1-N 3.4Å; D188-S339 PolarHBondContact OD1-OG 3.01Å; D188-S339 PolarHBondContact OD2-N 3.26Å; D188-S339 PolarHBondContact OD2-OG 3.46Å
189	A	98.4	Very high	98.4	Very high	29 Å²	29	32.3 Å²	32.3	24%	0.24	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-68.4	139.4	179.7	0	0	0	0	0	111.4	V184 L187 A223 F224	V184-A189 WeakPolarHBondContact O-CB 3.3Å; L187-A189 HydrophobicContact CB-CB 4.32Å; A189-A223 CarbonylContact C-O 3.52Å; A189-A223 VanDerWaalsContact CA-O 3.27Å; A189-A223 WeakPolarHBondContact CA-O 3.21Å; A189-F224 HydrophobicContact CB-CB 3.97Å; A189-F224 HydrophobicContact CB-CD1 4.21Å
190	Q	98.7	Very high	97.9	Very high	30 Å²	30	33.4 Å²	33.4	14%	0.14	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.8	-179.2	-55.7	-58.6	-57.1	0	0	110.6	D188 R222 A223 Q336	D188-Q190 PolarHBondContact O-NE2 3.22Å; D188-Q190 PolarHBondContact OD1-NE2 3.24Å; Q190-R222 WeakPolarHBondContact O-CA 3.27Å; Q190-A223 HydrophobicContact CB-CB 4.39Å; Q190-A223 PolarHBondContact N-O 3.31Å; Q190-A223 PolarHBondContact O-N 3.34Å; Q190-Q336 HydrophobicContact CG-CB 4.33Å; Q190-Q336 HydrophobicContact CG-CG 4.07Å
191	A	98.4	Very high	97.6	Very high	31 Å²	31	38 Å²	38	26%	0.256	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	134.9	170.6	0	0	0	0	0	110.2	N320	A191-N320 WeakPolarHBondContact O-CB 3.36Å; A191-N320 PolarHBondContact O-ND2 2.9Å
192	V	98.7	Very high	97.4	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118	177.2	-176.9	0	0	0	0	109.5	F166 G194 F210 S220 G221 A223 N320 A322	F166-V192 HydrophobicContact CD2-CG2 4.34Å; F166-V192 HydrophobicContact CE2-CB 3.69Å; F166-V192 HydrophobicContact CE2-CG1 3.83Å; F166-V192 HydrophobicContact CE2-CG2 3.67Å; F166-V192 HydrophobicContact CZ-CB 4.28Å; F166-V192 HydrophobicContact CZ-CG1 4.14Å; V192-G194 WeakPolarHBondContact CG1-O 3.18Å; V192-F210 HydrophobicContact CG1-CE2 4.13Å; V192-F210 VanDerWaalsContact O-CD2 3.27Å; V192-F210 WeakPolarHBondContact O-CD2 3.3Å; V192-F210 WeakPolarHBondContact O-CE2 3.44Å; V192-S220 CarbonylContact O-C 3.52Å; V192-S220 VanDerWaalsContact O-CA 3.28Å; V192-S220 WeakPolarHBondContact O-CA 3.36Å; V192-S220 VanDerWaalsContact O-CB 3.3Å; V192-S220 WeakPolarHBondContact O-CB 3.37Å; V192-G221 PolarHBondContact N-O 3.05Å; V192-G221 VanDerWaalsContact N-O 3.12Å; V192-G221 PolarHBondContact O-N 3.38Å; V192-A223 HydrophobicContact CG2-CB 4.08Å; V192-N320 CarbonylContact C-O 3.42Å; V192-N320 WeakPolarHBondContact CA-O 3.34Å; V192-A322 HydrophobicContact CG1-CB 4.13Å
193	N	98.6	Very high	97.2	Very high	44 Å²	44	42.7 Å²	42.7	24%	0.235	24%	0.241	C	C	.	.			trans	-101.2	-2.7	-173.9	-66.3	-22.8	0	0	0	113	F210 V218 S220 N320	N193-F210 WeakPolarHBondContact O-CB 3.14Å; N193-F210 PolarHBondContact O-N 2.93Å; N193-V218 HydrophobicContact CB-CG1 4.09Å; N193-S220 VanDerWaalsContact OD1-CB 3.28Å; N193-S220 WeakPolarHBondContact OD1-CB 3.42Å; N193-N320 HydrophobicContact CB-CB 4.23Å; N193-N320 PolarHBondContact N-O 2.88Å
194	G	98.3	Very high	97.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.7	-165.6	176.5	0	0	0	0	0	112.4	V192 I208 H321 A322	V192-G194 WeakPolarHBondContact CG1-O 3.18Å; G194-I208 CarbonylContact C-O 3.48Å; G194-I208 WeakPolarHBondContact CA-O 3.26Å; G194-H321 VanDerWaalsContact O-CA 3.32Å; G194-H321 WeakPolarHBondContact O-CA 3.01Å; G194-A322 PolarHBondContact O-N 3.12Å
195	Y	98.4	Very high	97	Very high	23 Å²	23	47.7 Å²	47.7	9%	0.09	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	152.2	174.8	-66.7	-94	0	0	0	112.1	F166 Q168 I208 F210 A322 L509	F166-Y195 WeakPolarHBondContact CE1-OH 3.33Å; F166-Y195 WeakPolarHBondContact CZ-OH 3.43Å; Q168-Y195 PolarHBondContact NE2-OH 3.2Å; Y195-I208 PolarHBondContact N-O 2.72Å; Y195-I208 PolarHBondContact O-N 3.43Å; Y195-F210 HydrophobicContact CD2-CE1 4.39Å; Y195-F210 HydrophobicContact CD2-CZ 4.15Å; Y195-F210 HydrophobicContact CE2-CE1 4.02Å; Y195-F210 AromaticContact CE2-CZ 3.58Å; Y195-F210 HydrophobicContact CE2-CZ 3.58Å; Y195-A322 CarbonylContact C-O 3.56Å; Y195-A322 WeakPolarHBondContact CA-O 3.44Å; Y195-A322 HydrophobicContact CD1-CB 3.47Å; Y195-A322 VanDerWaalsContact CD1-CB 3.47Å; Y195-A322 HydrophobicContact CE1-CB 3.47Å; Y195-A322 VanDerWaalsContact CE1-CB 3.47Å; Y195-A322 HydrophobicContact CG-CB 4.39Å; Y195-L509 HydrophobicContact CD2-CD2 4.04Å; Y195-L509 HydrophobicContact CE2-CD2 3.84Å
196	M	98.6	Very high	97.1	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.039	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.3	156.8	-63.6	-57.9	-55	0	0	108.2	H198 E205 Q207 F317 K318 H321 A322 E323 L324	M196-H198 WeakPolarHBondContact CB-NE2 3.41Å; M196-E205 HydrophobicContact CE-CB 4.11Å; M196-E205 HydrophobicContact CE-CG 3.75Å; M196-Q207 HydrophobicContact CE-CB 4.33Å; M196-Q207 HydrophobicContact SD-CB 3.82Å; M196-Q207 HydrophobicContact SD-CG 3.86Å; M196-F317 HydrophobicContact CE-CD1 3.69Å; M196-F317 HydrophobicContact CE-CE1 3.59Å; M196-F317 HydrophobicContact CG-CB 4.47Å; M196-F317 HydrophobicContact CG-CD1 3.96Å; M196-F317 HydrophobicContact SD-CD1 4.18Å; M196-K318 HydrophobicContact CG-CB 4.25Å; M196-K318 HydrophobicContact SD-CB 4.22Å; M196-K318 HydrophobicContact SD-CD 4.3Å; M196-H321 HydrophobicContact CG-CB 4.13Å; M196-A322 PolarHBondContact N-O 3.12Å; M196-E323 HydrophobicContact CB-CG 4.34Å; M196-E323 CarbonylContact O-C 3.54Å; M196-E323 WeakPolarHBondContact O-CA 3.38Å; M196-L324 PolarHBondContact O-N 2.95Å
197	I	98.6	Very high	97.1	Very high	11 Å²	11	42.7 Å²	42.7	6%	0.056	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.3	171.4	-55.6	-179.9	0	0	0	107.7	E205 V206 I208 L324 L326 F492 F495	I197-E205 CarbonylContact O-C 3.54Å; I197-E205 WeakPolarHBondContact O-CA 3.15Å; I197-E205 WeakPolarHBondContact O-CB 3.02Å; I197-V206 HydrophobicContact CB-CG1 3.84Å; I197-V206 HydrophobicContact CD1-CG1 4.46Å; I197-V206 HydrophobicContact CG1-CG1 4.45Å; I197-V206 PolarHBondContact N-O 2.91Å; I197-V206 PolarHBondContact O-N 2.81Å; I197-I208 HydrophobicContact CD1-CD1 4.18Å; I197-I208 HydrophobicContact CD1-CG1 3.68Å; I197-I208 HydrophobicContact CG1-CG1 3.96Å; I197-L324 CarbonylContact C-O 3.57Å; I197-L324 WeakPolarHBondContact CA-O 3.21Å; I197-L324 HydrophobicContact CD1-CD2 4.42Å; I197-L324 HydrophobicContact CG1-CB 4.41Å; I197-L324 HydrophobicContact CG1-CD2 4.32Å; I197-L324 HydrophobicContact CG2-CD2 4.43Å; I197-L326 HydrophobicContact CG2-CD1 3.92Å; I197-L326 HydrophobicContact CG2-CD2 4.46Å; I197-L326 HydrophobicContact CG2-CG 3.88Å; I197-F492 HydrophobicContact CG2-CD2 3.95Å; I197-F492 HydrophobicContact CG2-CE2 4.17Å; I197-F495 HydrophobicContact CD1-CD2 3.91Å; I197-F495 HydrophobicContact CD1-CE2 3.84Å
198	H	98.5	Very high	97.1	Very high	18 Å²	18	42.4 Å²	42.4	8%	0.083	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.4	177.1	-59.5	-90	0	0	0	109.3	M196 F317 E323 L324 I325 L326 P369	M196-H198 WeakPolarHBondContact CB-NE2 3.41Å; H198-F317 AromaticContact CE1-CD2 3.88Å; H198-F317 AromaticContact CE1-CG 3.96Å; H198-E323 IonicContact CD2-OE2 3.97Å; H198-E323 IonicContact NE2-OE2 3.64Å; H198-E323 PolarHBondContact NE2-OE2 2.99Å; H198-L324 PolarHBondContact N-O 3.18Å; H198-I325 HydrophobicContact CB-CG1 4.45Å; H198-L326 PolarHBondContact O-N 2.91Å; H198-P369 HydrophobicContact CB-CG 4.41Å
199	D	97.1	Very high	97	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.064	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.4	172	179.8	56.4	0	0	0	110.4	E201 S202 K203 S204 L326 F492	D199-E201 VanDerWaalsContact C-N 3.33Å; D199-E201 PolarHBondContact O-N 2.97Å; D199-S202 WeakPolarHBondContact OD2-CB 3.4Å; D199-S202 PolarHBondContact OD2-N 3.5Å; D199-S202 PolarHBondContact OD2-OG 3.46Å; D199-K203 WeakPolarHBondContact O-CA 3.48Å; D199-K203 PolarHBondContact O-N 2.75Å; D199-K203 VanDerWaalsContact O-N 3.08Å; D199-S204 PolarHBondContact N-O 3.04Å; D199-S204 PolarHBondContact O-N 3.25Å; D199-L326 HydrophobicContact CB-CD1 4.5Å; D199-F492 HydrophobicContact CB-CD1 3.86Å; D199-F492 HydrophobicContact CB-CD2 3.87Å; D199-F492 HydrophobicContact CB-CE1 3.61Å; D199-F492 HydrophobicContact CB-CE2 3.62Å; D199-F492 HydrophobicContact CB-CG 3.98Å; D199-F492 HydrophobicContact CB-CZ 3.49Å; D199-F492 VanDerWaalsContact CB-CZ 3.49Å
200	Q	89.4	Confident	97	Very high	68 Å²	68	41.3 Å²	41.3	32%	0.318	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-34.5	-175.5	-161.3	-156.2	13.6	0	0	112.1	K203 Q367	Q200-K203 PolarHBondContact O-N 2.85Å; Q200-Q367 HydrophobicContact CG-CB 4.4Å; Q200-Q367 VanDerWaalsContact NE2-CA 3.31Å; Q200-Q367 VanDerWaalsContact NE2-CB 3.3Å; Q200-Q367 VanDerWaalsContact NE2-CG 3.26Å
201	E	90.9	Very high	96.9	Very high	98 Å²	98	41.9 Å²	41.9	46%	0.458	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-45.7	-174.6	-170.7	175.9	170.9	0	0	111.7	D199 K203 H485 K489	D199-E201 VanDerWaalsContact C-N 3.33Å; D199-E201 PolarHBondContact O-N 2.97Å; E201-K203 VanDerWaalsContact C-N 3.33Å; E201-H485 IonicContact OE2-CD2 2.64Å; E201-H485 IonicContact OE2-CE1 3.85Å; E201-H485 PolarHBondContact OE2-CE1 3.41Å; E201-H485 IonicContact OE2-NE2 3.28Å; E201-H485 PolarHBondContact OE2-NE2 2.87Å; E201-K489 VanDerWaalsContact CD-NZ 3.32Å; E201-K489 WeakPolarHBondContact OE1-CE 3.32Å; E201-K489 IonicContact OE1-NZ 3.08Å; E201-K489 PolarHBondContact OE1-NZ 2.87Å; E201-K489 WeakPolarHBondContact OE2-CE 3.41Å; E201-K489 IonicContact OE2-NZ 3.91Å; E201-K489 PolarHBondContact OE2-NZ 3.48Å
202	S	94	Very high	96.8	Very high	59 Å²	59	45.1 Å²	45.1	41%	0.413	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-4.9	176.2	65.8	0	0	0	0	114.3	D199 S204	D199-S202 WeakPolarHBondContact OD2-CB 3.4Å; D199-S202 PolarHBondContact OD2-N 3.5Å; D199-S202 PolarHBondContact OD2-OG 3.46Å; S202-S204 VanDerWaalsContact C-N 3.27Å; S202-S204 PolarHBondContact O-N 2.77Å; S202-S204 PolarHBondContact OG-OG 2.88Å
203	K	94.3	Very high	96.5	Very high	188 Å²	188	46.5 Å²	46.5	82%	0.817	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	48.4	-173.8	-60	-175.3	179.2	-176.2	0	112.1	D199 Q200 E201	D199-K203 WeakPolarHBondContact O-CA 3.48Å; D199-K203 PolarHBondContact O-N 2.75Å; D199-K203 VanDerWaalsContact O-N 3.08Å; Q200-K203 PolarHBondContact O-N 2.85Å; E201-K203 VanDerWaalsContact C-N 3.33Å
204	S	96.9	Very high	96.1	Very high	25 Å²	25	54 Å²	54	18%	0.175	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	164.2	-177	71.6	0	0	0	0	111.9	D199 S202 F492 K496	D199-S204 PolarHBondContact N-O 3.04Å; D199-S204 PolarHBondContact O-N 3.25Å; S202-S204 VanDerWaalsContact C-N 3.27Å; S202-S204 PolarHBondContact O-N 2.77Å; S202-S204 PolarHBondContact OG-OG 2.88Å; S204-F492 WeakPolarHBondContact O-CZ 3.42Å; S204-F492 WeakPolarHBondContact OG-CE1 3.38Å; S204-F492 WeakPolarHBondContact OG-CZ 3.39Å; S204-K496 VanDerWaalsContact CB-NZ 3.29Å; S204-K496 PolarHBondContact OG-NZ 3.35Å
205	E	97.6	Very high	95.8	Very high	88 Å²	88	60.5 Å²	60.5	41%	0.411	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	162.4	-175.2	66.4	-75.8	176.4	0	0	112.4	M196 I197 F317	M196-E205 HydrophobicContact CE-CB 4.11Å; M196-E205 HydrophobicContact CE-CG 3.75Å; I197-E205 CarbonylContact O-C 3.54Å; I197-E205 WeakPolarHBondContact O-CA 3.15Å; I197-E205 WeakPolarHBondContact O-CB 3.02Å; E205-F317 HydrophobicContact CG-CE1 4.19Å; E205-F317 HydrophobicContact CG-CZ 4.02Å
206	V	98.1	Very high	95.5	Very high	17 Å²	17	65.5 Å²	65.5	10%	0.103	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	135.6	170.4	62.6	0	0	0	0	109.9	I197 I208 F492 F495 K496	I197-V206 HydrophobicContact CB-CG1 3.84Å; I197-V206 HydrophobicContact CD1-CG1 4.46Å; I197-V206 HydrophobicContact CG1-CG1 4.45Å; I197-V206 PolarHBondContact N-O 2.91Å; I197-V206 PolarHBondContact O-N 2.81Å; V206-I208 HydrophobicContact CG1-CD1 4.21Å; V206-I208 HydrophobicContact CG2-CD1 4.23Å; V206-F492 HydrophobicContact CB-CE2 4.35Å; V206-F492 HydrophobicContact CG1-CD2 4.04Å; V206-F492 HydrophobicContact CG1-CE2 3.72Å; V206-F495 HydrophobicContact CG1-CB 4.03Å; V206-F495 HydrophobicContact CG2-CB 4.02Å; V206-K496 HydrophobicContact CB-CG 4.21Å; V206-K496 HydrophobicContact CG2-CG 4.24Å
207	Q	98.3	Very high	95.3	Very high	68 Å²	68	71.6 Å²	71.6	32%	0.318	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	132	173	-171.9	-169.2	-7	0	0	110	M196 P209 K318 H321	M196-Q207 HydrophobicContact CE-CB 4.33Å; M196-Q207 HydrophobicContact SD-CB 3.82Å; M196-Q207 HydrophobicContact SD-CG 3.86Å; Q207-P209 WeakPolarHBondContact O-CD 3.19Å; Q207-K318 HydrophobicContact CG-CD 4.44Å; Q207-H321 PolarHBondContact NE2-NE2 3.31Å
208	I	98.1	Very high	95.2	Very high	8 Å²	8	73.9 Å²	73.9	4%	0.041	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	86.4	173.6	-50.8	-60.7	0	0	0	108.1	G194 Y195 I197 V206 F495 V502 V506	G194-I208 CarbonylContact C-O 3.48Å; G194-I208 WeakPolarHBondContact CA-O 3.26Å; Y195-I208 PolarHBondContact N-O 2.72Å; Y195-I208 PolarHBondContact O-N 3.43Å; I197-I208 HydrophobicContact CD1-CD1 4.18Å; I197-I208 HydrophobicContact CD1-CG1 3.68Å; I197-I208 HydrophobicContact CG1-CG1 3.96Å; V206-I208 HydrophobicContact CG1-CD1 4.21Å; V206-I208 HydrophobicContact CG2-CD1 4.23Å; I208-F495 HydrophobicContact CD1-CB 3.9Å; I208-F495 HydrophobicContact CD1-CD1 4.16Å; I208-F495 HydrophobicContact CD1-CD2 4.28Å; I208-F495 HydrophobicContact CD1-CG 3.87Å; I208-V502 HydrophobicContact CD1-CG1 4.08Å; I208-V502 HydrophobicContact CG2-CG1 4.28Å; I208-V506 HydrophobicContact CG2-CB 3.94Å; I208-V506 HydrophobicContact CG2-CG2 3.78Å
209	P	98	Very high	95.1	Very high	58 Å²	58	75.9 Å²	75.9	38%	0.377	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	141.6	179.2	30.7	-34.1	0	0	0	110.9	Q207	Q207-P209 WeakPolarHBondContact O-CD 3.19Å
210	F	98.3	Very high	95.1	Very high	9 Å²	9	76.2 Å²	76.2	4%	0.039	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-69.2	150.7	166.9	-72.3	-44.3	0	0	0	111.1	F166 P169 V192 N193 Y195 V218 Q219 V506	F166-F210 HydrophobicContact CZ-CE2 4.44Å; F166-F210 HydrophobicContact CZ-CZ 4.28Å; P169-F210 HydrophobicContact CG-CD1 3.88Å; P169-F210 HydrophobicContact CG-CD2 3.78Å; P169-F210 HydrophobicContact CG-CE1 3.84Å; P169-F210 HydrophobicContact CG-CE2 3.72Å; P169-F210 HydrophobicContact CG-CG 3.87Å; P169-F210 HydrophobicContact CG-CZ 3.76Å; V192-F210 HydrophobicContact CG1-CE2 4.13Å; V192-F210 VanDerWaalsContact O-CD2 3.27Å; V192-F210 WeakPolarHBondContact O-CD2 3.3Å; V192-F210 WeakPolarHBondContact O-CE2 3.44Å; N193-F210 WeakPolarHBondContact O-CB 3.14Å; N193-F210 PolarHBondContact O-N 2.93Å; Y195-F210 HydrophobicContact CD2-CE1 4.39Å; Y195-F210 HydrophobicContact CD2-CZ 4.15Å; Y195-F210 HydrophobicContact CE2-CE1 4.02Å; Y195-F210 AromaticContact CE2-CZ 3.58Å; Y195-F210 HydrophobicContact CE2-CZ 3.58Å; F210-V218 HydrophobicContact CB-CG1 4.24Å; F210-Q219 WeakPolarHBondContact CB-O 3.37Å; F210-V506 HydrophobicContact CD1-CG2 3.67Å; F210-V506 HydrophobicContact CE1-CG2 4.14Å
211	P	96.7	Very high	95.6	Very high	42 Å²	42	73 Å²	73	27%	0.273	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-67.3	154.9	-175.4	28.3	-35.9	0	0	0	112.5	Q219 L512	P211-Q219 WeakPolarHBondContact O-CB 3.4Å; P211-Q219 PolarHBondContact O-N 3.19Å; P211-L512 HydrophobicContact CG-CD1 3.47Å; P211-L512 VanDerWaalsContact CG-CD1 3.47Å
212	L	95.6	Very high	95.9	Very high	100 Å²	100	70.3 Å²	70.3	52%	0.524	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-81.1	140.8	167.3	-66.1	169.6	0	0	0	109.4	V218	L212-V218 HydrophobicContact CD2-CB 4.42Å; L212-V218 HydrophobicContact CD2-CG2 3.64Å
213	S	93.1	Very high	96.2	Very high	32 Å²	32	67.5 Å²	67.5	22%	0.224	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-73.9	167.6	167	59.4	0	0	0	0	111.3	N215 N216 Q217	S213-N215 PolarHBondContact O-N 3.43Å; S213-N215 VanDerWaalsContact O-N 3.12Å; S213-N216 PolarHBondContact O-N 3.17Å; S213-Q217 WeakPolarHBondContact CB-O 3.29Å; S213-Q217 PolarHBondContact N-O 2.89Å; S213-Q217 PolarHBondContact OG-N 2.83Å; S213-Q217 PolarHBondContact OG-O 2.83Å
214	E	89.1	Confident	96.4	Very high	202 Å²	202	58.5 Å²	58.5	94%	0.944	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.3	173.7	-63.5	179.2	176.9	0	0	112.8	N216	E214-N216 PolarHBondContact O-N 3.31Å
215	N	92.2	Very high	96.5	Very high	136 Å²	136	58.7 Å²	58.7	73%	0.727	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	16.2	176.8	-62.9	-23	0	0	0	113.3	S213 Q217	S213-N215 PolarHBondContact O-N 3.43Å; S213-N215 VanDerWaalsContact O-N 3.12Å; N215-Q217 PolarHBondContact O-N 3.27Å; N215-Q217 VanDerWaalsContact O-N 3.16Å
216	N	91.9	Very high	96.5	Very high	128 Å²	128	55.2 Å²	55.2	68%	0.684	29%	0.287	S	S	*	.	S	Bend	trans	58.1	26.5	-179.7	-154.3	40.4	0	0	0	114.5	S213 E214	S213-N216 PolarHBondContact O-N 3.17Å; E214-N216 PolarHBondContact O-N 3.31Å
217	Q	94.1	Very high	96.5	Very high	137 Å²	137	54.6 Å²	54.6	64%	0.64	28%	0.284	S	S	*	.			trans	-105.8	137.3	173.2	-67.4	-174.1	-8.3	0	0	110.6	S213 N215 Q219	S213-Q217 WeakPolarHBondContact CB-O 3.29Å; S213-Q217 PolarHBondContact N-O 2.89Å; S213-Q217 PolarHBondContact OG-N 2.83Å; S213-Q217 PolarHBondContact OG-O 2.83Å; N215-Q217 PolarHBondContact O-N 3.27Å; N215-Q217 VanDerWaalsContact O-N 3.16Å; Q217-Q219 PolarHBondContact O-N 2.81Å
218	V	96.5	Very high	96.6	Very high	58 Å²	58	55.3 Å²	55.3	35%	0.352	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-62.4	126.3	175.1	-179.7	0	0	0	0	109.8	N193 F210 L212 S220	N193-V218 HydrophobicContact CB-CG1 4.09Å; F210-V218 HydrophobicContact CB-CG1 4.24Å; L212-V218 HydrophobicContact CD2-CB 4.42Å; L212-V218 HydrophobicContact CD2-CG2 3.64Å; V218-S220 PolarHBondContact O-N 3.49Å
219	Q	97.4	Very high	96.6	Very high	60 Å²	60	55 Å²	55	28%	0.28	28%	0.282	S	S	.	.			trans	-76.1	79.9	172.4	-62.7	-177.3	-64.8	0	0	108.9	P169 F210 P211 Q217 L512	P169-Q219 VanDerWaalsContact CB-O 3.23Å; P169-Q219 WeakPolarHBondContact CB-O 3.44Å; P169-Q219 WeakPolarHBondContact CG-O 3.5Å; F210-Q219 WeakPolarHBondContact CB-O 3.37Å; P211-Q219 WeakPolarHBondContact O-CB 3.4Å; P211-Q219 PolarHBondContact O-N 3.19Å; Q217-Q219 PolarHBondContact O-N 2.81Å; Q219-L512 HydrophobicContact CB-CD1 3.72Å; Q219-L512 HydrophobicContact CG-CD1 4.43Å
220	S	97.4	Very high	96.6	Very high	20 Å²	20	52.3 Å²	52.3	14%	0.14	27%	0.265	C	S	.	.			trans	-81.9	150.4	-173	52.2	0	0	0	0	113.4	V192 N193 V218 R222	V192-S220 CarbonylContact O-C 3.52Å; V192-S220 VanDerWaalsContact O-CA 3.28Å; V192-S220 WeakPolarHBondContact O-CA 3.36Å; V192-S220 VanDerWaalsContact O-CB 3.3Å; V192-S220 WeakPolarHBondContact O-CB 3.37Å; N193-S220 VanDerWaalsContact OD1-CB 3.28Å; N193-S220 WeakPolarHBondContact OD1-CB 3.42Å; V218-S220 PolarHBondContact O-N 3.49Å; S220-R222 PolarHBondContact OG-NH1 3.01Å
221	G	98.4	Very high	96.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	179.5	167.2	0	0	0	0	0	111.8	L167 V192	L167-G221 VanDerWaalsContact O-CA 3.26Å; L167-G221 WeakPolarHBondContact O-CA 3.21Å; V192-G221 PolarHBondContact N-O 3.05Å; V192-G221 VanDerWaalsContact N-O 3.12Å; V192-G221 PolarHBondContact O-N 3.38Å
222	R	98.8	Very high	96.8	Very high	41 Å²	41	54.1 Å²	54.1	16%	0.155	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.7	176.3	-68.1	-68.9	178.9	-83.3	4.1	110.5	L167 Y172 V184 Q190 S220 F224	L167-R222 PolarHBondContact N-O 2.78Å; L167-R222 PolarHBondContact O-N 2.84Å; Y172-R222 HydrophobicContact CD1-CG 4.22Å; Y172-R222 HydrophobicContact CD2-CG 4.35Å; Y172-R222 HydrophobicContact CE1-CG 4.23Å; Y172-R222 HydrophobicContact CE2-CG 4.37Å; Y172-R222 HydrophobicContact CG-CG 4.27Å; V184-R222 HydrophobicContact CG2-CG 4.32Å; Q190-R222 WeakPolarHBondContact O-CA 3.27Å; S220-R222 PolarHBondContact OG-NH1 3.01Å; R222-F224 HydrophobicContact CB-CD1 3.99Å; R222-F224 HydrophobicContact CB-CE1 3.87Å
223	A	98.8	Very high	96.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.1	170.9	0	0	0	0	0	109.8	E165 F166 A189 Q190 V192 Y335 Q336	E165-A223 CarbonylContact O-C 3.59Å; E165-A223 WeakPolarHBondContact O-CA 3.42Å; F166-A223 HydrophobicContact CD2-CB 4.01Å; A189-A223 CarbonylContact C-O 3.52Å; A189-A223 VanDerWaalsContact CA-O 3.27Å; A189-A223 WeakPolarHBondContact CA-O 3.21Å; Q190-A223 HydrophobicContact CB-CB 4.39Å; Q190-A223 PolarHBondContact N-O 3.31Å; Q190-A223 PolarHBondContact O-N 3.34Å; V192-A223 HydrophobicContact CG2-CB 4.08Å; A223-Y335 HydrophobicContact CB-CD2 4.38Å; A223-Q336 WeakPolarHBondContact CB-O 3.37Å
224	F	98.8	Very high	97.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.239	C	C	.	.			trans	-163	164.6	-174	41.3	-107.6	0	0	0	111.7	E165 L167 V184 L187 A189 R222 H226 F229 I337 M421	E165-F224 VanDerWaalsContact CA-O 3.31Å; E165-F224 WeakPolarHBondContact CA-O 3.45Å; E165-F224 WeakPolarHBondContact CB-O 3.39Å; E165-F224 WeakPolarHBondContact CG-O 3.45Å; E165-F224 PolarHBondContact O-N 2.95Å; L167-F224 HydrophobicContact CB-CE1 3.98Å; L167-F224 HydrophobicContact CB-CZ 3.99Å; V184-F224 HydrophobicContact CG1-CD1 4.45Å; V184-F224 HydrophobicContact CG1-CE1 3.94Å; L187-F224 HydrophobicContact CD1-CB 4.43Å; L187-F224 HydrophobicContact CD1-CG 4.46Å; A189-F224 HydrophobicContact CB-CB 3.97Å; A189-F224 HydrophobicContact CB-CD1 4.21Å; R222-F224 HydrophobicContact CB-CD1 3.99Å; R222-F224 HydrophobicContact CB-CE1 3.87Å; F224-H226 PolarHBondContact O-N 3.23Å; F224-F229 HydrophobicContact CD2-CB 3.56Å; F224-F229 HydrophobicContact CD2-CD1 4.36Å; F224-F229 HydrophobicContact CD2-CG 4.06Å; F224-F229 HydrophobicContact CE1-CG 4.43Å; F224-F229 HydrophobicContact CE2-CB 3.44Å; F224-F229 VanDerWaalsContact CE2-CB 3.44Å; F224-F229 AromaticContact CE2-CD1 3.36Å; F224-F229 HydrophobicContact CE2-CD1 3.36Å; F224-F229 HydrophobicContact CE2-CD2 4.33Å; F224-F229 HydrophobicContact CE2-CE1 4.16Å; F224-F229 AromaticContact CE2-CG 3.46Å; F224-F229 HydrophobicContact CE2-CG 3.46Å; F224-F229 VanDerWaalsContact CE2-CG 3.46Å; F224-F229 HydrophobicContact CG-CB 4.33Å; F224-F229 HydrophobicContact CZ-CB 4.12Å; F224-F229 AromaticContact CZ-CD1 3.5Å; F224-F229 HydrophobicContact CZ-CD1 3.5Å; F224-F229 HydrophobicContact CZ-CD2 4.16Å; F224-F229 AromaticContact CZ-CE1 3.85Å; F224-F229 HydrophobicContact CZ-CE1 3.85Å; F224-F229 HydrophobicContact CZ-CE2 4.47Å; F224-F229 AromaticContact CZ-CG 3.66Å; F224-F229 HydrophobicContact CZ-CG 3.66Å; F224-F229 HydrophobicContact CZ-CZ 4.32Å; F224-I337 WeakPolarHBondContact CA-O 3.31Å; F224-M421 HydrophobicContact CE2-CE 4.23Å; F224-M421 HydrophobicContact CZ-CE 4Å
225	H	98.8	Very high	97.7	Very high	28 Å²	28	46 Å²	46	13%	0.13	23%	0.226	C	C	.	.			trans	-61.7	124.3	163.1	-70	-94.5	0	0	0	110.3	G227 R228 F229 E341	H225-G227 VanDerWaalsContact C-N 3.27Å; H225-G227 PolarHBondContact O-N 3.31Å; H225-R228 HydrophobicContact CB-CB 4.34Å; H225-R228 HydrophobicContact CB-CG 3.91Å; H225-R228 PolarHBondContact O-N 2.74Å; H225-F229 PolarHBondContact O-N 3.29Å; H225-E341 IonicContact CE1-OE1 3.97Å; H225-E341 IonicContact CE1-OE2 3.95Å; H225-E341 PolarHBondContact CE1-OE2 3.32Å; H225-E341 IonicContact NE2-OE2 3.97Å; H225-E341 PolarHBondContact NE2-OE2 2.92Å
226	H	98.5	Very high	98	Very high	15 Å²	15	40.5 Å²	40.5	7%	0.069	20%	0.199	C	C	.	.	H	α-helix	trans	-57.4	-41.3	-179.4	-178.9	69	0	0	0	112.3	V163 G164 E165 F224 F229 I230	V163-H226 WeakPolarHBondContact O-CB 3.26Å; V163-H226 PolarHBondContact O-ND1 3.16Å; G164-H226 PolarHBondContact O-ND1 2.89Å; E165-H226 HydrophobicContact CG-CB 3.92Å; F224-H226 PolarHBondContact O-N 3.23Å; H226-F229 PolarHBondContact O-N 2.82Å; H226-I230 WeakPolarHBondContact NE2-CG1 3.16Å; H226-I230 WeakPolarHBondContact O-CG1 3.44Å; H226-I230 PolarHBondContact O-N 3.06Å
227	G	98.6	Very high	98.3	Very high	4 Å²	4	34.4 Å²	34.4	4%	0.041	17%	0.167	C	C	.	.	H	α-helix	trans	-54.7	-54.5	178.9	0	0	0	0	0	112.9	E158 P159 H225 F229 I230 M231	E158-G227 VanDerWaalsContact CG-C 3.49Å; E158-G227 VanDerWaalsContact CG-CA 3.49Å; P159-G227 WeakPolarHBondContact O-CA 3.18Å; H225-G227 VanDerWaalsContact C-N 3.27Å; H225-G227 PolarHBondContact O-N 3.31Å; G227-F229 VanDerWaalsContact C-N 3.3Å; G227-F229 PolarHBondContact O-N 3.26Å; G227-I230 PolarHBondContact O-N 2.71Å; G227-M231 WeakPolarHBondContact O-CG 3.07Å; G227-M231 PolarHBondContact O-N 3.23Å
228	R	98.8	Very high	98.5	Very high	84 Å²	84	32 Å²	32	32%	0.317	16%	0.157	S	C	.	.	H	α-helix	trans	-55.2	-43.7	177.2	-58.6	-175.6	-173.1	168	3.2	112.1	E158 L187 H225 M231 S232	E158-R228 WeakPolarHBondContact OE1-CG 3.48Å; E158-R228 PolarHBondContact OE1-N 3.43Å; L187-R228 HydrophobicContact CB-CB 4.28Å; L187-R228 HydrophobicContact CD2-CB 4.04Å; L187-R228 WeakPolarHBondContact O-CD 3.37Å; L187-R228 PolarHBondContact O-NH1 3.15Å; H225-R228 HydrophobicContact CB-CB 4.34Å; H225-R228 HydrophobicContact CB-CG 3.91Å; H225-R228 PolarHBondContact O-N 2.74Å; R228-M231 PolarHBondContact O-N 3.03Å; R228-S232 PolarHBondContact O-N 3.47Å
229	F	98.9	Very high	98.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.8	-44.6	177.8	-178.7	-130.3	0	0	0	112.7	L175 T183 V184 L187 F224 H225 H226 G227 M231 S232 L233 M421 F425	L175-F229 HydrophobicContact CD2-CE2 4.04Å; L175-F229 HydrophobicContact CD2-CZ 4Å; T183-F229 WeakPolarHBondContact O-CD2 3.3Å; V184-F229 HydrophobicContact CG1-CD2 3.97Å; V184-F229 HydrophobicContact CG1-CE2 3.62Å; V184-F229 HydrophobicContact CG1-CZ 4.39Å; L187-F229 HydrophobicContact CD1-CB 3.94Å; L187-F229 HydrophobicContact CD1-CD2 4.18Å; F224-F229 HydrophobicContact CD2-CB 3.56Å; F224-F229 HydrophobicContact CD2-CD1 4.36Å; F224-F229 HydrophobicContact CD2-CG 4.06Å; F224-F229 HydrophobicContact CE1-CG 4.43Å; F224-F229 HydrophobicContact CE2-CB 3.44Å; F224-F229 VanDerWaalsContact CE2-CB 3.44Å; F224-F229 AromaticContact CE2-CD1 3.36Å; F224-F229 HydrophobicContact CE2-CD1 3.36Å; F224-F229 HydrophobicContact CE2-CD2 4.33Å; F224-F229 HydrophobicContact CE2-CE1 4.16Å; F224-F229 AromaticContact CE2-CG 3.46Å; F224-F229 HydrophobicContact CE2-CG 3.46Å; F224-F229 VanDerWaalsContact CE2-CG 3.46Å; F224-F229 HydrophobicContact CG-CB 4.33Å; F224-F229 HydrophobicContact CZ-CB 4.12Å; F224-F229 AromaticContact CZ-CD1 3.5Å; F224-F229 HydrophobicContact CZ-CD1 3.5Å; F224-F229 HydrophobicContact CZ-CD2 4.16Å; F224-F229 AromaticContact CZ-CE1 3.85Å; F224-F229 HydrophobicContact CZ-CE1 3.85Å; F224-F229 HydrophobicContact CZ-CE2 4.47Å; F224-F229 AromaticContact CZ-CG 3.66Å; F224-F229 HydrophobicContact CZ-CG 3.66Å; F224-F229 HydrophobicContact CZ-CZ 4.32Å; H225-F229 PolarHBondContact O-N 3.29Å; H226-F229 PolarHBondContact O-N 2.82Å; G227-F229 VanDerWaalsContact C-N 3.3Å; G227-F229 PolarHBondContact O-N 3.26Å; F229-M231 VanDerWaalsContact C-N 3.33Å; F229-M231 PolarHBondContact O-N 3.07Å; F229-S232 PolarHBondContact O-N 2.96Å; F229-L233 HydrophobicContact CD1-CD1 4.16Å; F229-L233 HydrophobicContact CD2-CD1 4.46Å; F229-L233 HydrophobicContact CD2-CG 4.29Å; F229-L233 HydrophobicContact CE1-CD1 3.75Å; F229-L233 HydrophobicContact CE1-CG 4.5Å; F229-L233 HydrophobicContact CE2-CD1 4.06Å; F229-L233 HydrophobicContact CE2-CD2 4.15Å; F229-L233 HydrophobicContact CE2-CG 3.92Å; F229-L233 HydrophobicContact CZ-CD1 3.69Å; F229-L233 HydrophobicContact CZ-CD2 4.22Å; F229-L233 HydrophobicContact CZ-CG 4.05Å; F229-L233 WeakPolarHBondContact O-CG 3.49Å; F229-L233 PolarHBondContact O-N 3.21Å; F229-M421 HydrophobicContact CD1-SD 4.2Å; F229-M421 HydrophobicContact CE1-SD 3.94Å; F229-F425 HydrophobicContact CE1-CE2 4.39Å; F229-F425 AromaticContact CE1-CZ 3.96Å; F229-F425 HydrophobicContact CE1-CZ 3.96Å; F229-F425 HydrophobicContact CZ-CE2 4.19Å; F229-F425 AromaticContact CZ-CZ 3.73Å; F229-F425 HydrophobicContact CZ-CZ 3.73Å
230	I	98.8	Very high	98.7	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.015	17%	0.165	C	C	.	.	H	α-helix	trans	-59.8	-44.9	175.2	-67.5	-61.9	0	0	0	111.1	V133 P159 H226 G227 S232 L233 R234	V133-I230 HydrophobicContact CB-CD1 4.37Å; V133-I230 HydrophobicContact CG2-CD1 3.6Å; P159-I230 HydrophobicContact CG-CB 3.82Å; P159-I230 HydrophobicContact CG-CG1 3.93Å; P159-I230 HydrophobicContact CG-CG2 3.85Å; H226-I230 WeakPolarHBondContact NE2-CG1 3.16Å; H226-I230 WeakPolarHBondContact O-CG1 3.44Å; H226-I230 PolarHBondContact O-N 3.06Å; G227-I230 PolarHBondContact O-N 2.71Å; I230-S232 VanDerWaalsContact C-N 3.31Å; I230-S232 PolarHBondContact O-N 2.87Å; I230-L233 PolarHBondContact O-N 3.37Å; I230-R234 HydrophobicContact CG2-CG 4.32Å; I230-R234 WeakPolarHBondContact O-CB 3.47Å; I230-R234 VanDerWaalsContact O-CG 3.32Å; I230-R234 WeakPolarHBondContact O-CG 3.32Å; I230-R234 PolarHBondContact O-N 2.88Å
231	M	98.8	Very high	98.7	Very high	63 Å²	63	36.3 Å²	36.3	31%	0.31	19%	0.194	S	C	.	.	H	α-helix	trans	-64	-37.8	178.2	-67.6	-50.5	-62.3	0	0	112.1	L156 E158 G227 R228 F229 R234 K235	L156-M231 WeakPolarHBondContact O-CE 3.47Å; L156-M231 VanDerWaalsContact O-SD 3.33Å; E158-M231 HydrophobicContact CB-CG 3.75Å; E158-M231 HydrophobicContact CB-SD 4.31Å; E158-M231 HydrophobicContact CG-CG 3.95Å; G227-M231 WeakPolarHBondContact O-CG 3.07Å; G227-M231 PolarHBondContact O-N 3.23Å; R228-M231 PolarHBondContact O-N 3.03Å; F229-M231 VanDerWaalsContact C-N 3.33Å; F229-M231 PolarHBondContact O-N 3.07Å; M231-R234 PolarHBondContact O-N 3.18Å; M231-K235 VanDerWaalsContact O-CB 3.29Å; M231-K235 WeakPolarHBondContact O-CB 3.12Å; M231-K235 PolarHBondContact O-N 2.98Å
232	S	98.9	Very high	98.7	Very high	25 Å²	25	39.5 Å²	39.5	18%	0.175	21%	0.212	C	C	.	.	H	α-helix	trans	-66.4	-40.5	174.9	-165.3	0	0	0	0	112.7	T183 R228 F229 I230 K235 A236	T183-S232 WeakPolarHBondContact CA-OG 3.28Å; T183-S232 VanDerWaalsContact O-CB 3.26Å; T183-S232 WeakPolarHBondContact O-CB 3.28Å; T183-S232 PolarHBondContact O-OG 3.22Å; R228-S232 PolarHBondContact O-N 3.47Å; F229-S232 PolarHBondContact O-N 2.96Å; I230-S232 VanDerWaalsContact C-N 3.31Å; I230-S232 PolarHBondContact O-N 2.87Å; S232-K235 PolarHBondContact O-N 2.74Å; S232-A236 PolarHBondContact O-N 2.83Å
233	L	98.9	Very high	98.7	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-44.5	174.2	-73.2	173.2	0	0	0	111.8	V133 A137 L175 L180 T183 F229 I230 K235 A236 A237 F425	V133-L233 HydrophobicContact CG1-CD1 4.49Å; A137-L233 HydrophobicContact CB-CD2 4.31Å; L175-L233 HydrophobicContact CD1-CD2 4.36Å; L180-L233 HydrophobicContact CD1-CD2 4.46Å; T183-L233 HydrophobicContact CG2-CD2 4.12Å; F229-L233 HydrophobicContact CD1-CD1 4.16Å; F229-L233 HydrophobicContact CD2-CD1 4.46Å; F229-L233 HydrophobicContact CD2-CG 4.29Å; F229-L233 HydrophobicContact CE1-CD1 3.75Å; F229-L233 HydrophobicContact CE1-CG 4.5Å; F229-L233 HydrophobicContact CE2-CD1 4.06Å; F229-L233 HydrophobicContact CE2-CD2 4.15Å; F229-L233 HydrophobicContact CE2-CG 3.92Å; F229-L233 HydrophobicContact CZ-CD1 3.69Å; F229-L233 HydrophobicContact CZ-CD2 4.22Å; F229-L233 HydrophobicContact CZ-CG 4.05Å; F229-L233 WeakPolarHBondContact O-CG 3.49Å; F229-L233 PolarHBondContact O-N 3.21Å; I230-L233 PolarHBondContact O-N 3.37Å; L233-K235 VanDerWaalsContact C-N 3.35Å; L233-A236 PolarHBondContact O-N 2.89Å; L233-A237 PolarHBondContact O-N 2.92Å; L233-F425 HydrophobicContact CD1-CZ 4.5Å
234	R	98.9	Very high	98.7	Very high	7 Å²	7	44.5 Å²	44.5	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-60.4	-45.5	175.9	-73.5	172	178.5	177.5	-6.1	110.9	A131 S136 E153 D155 L156 K157 I230 M231 A236 A237 M238	A131-R234 HydrophobicContact CB-CG 4.33Å; A131-R234 PolarHBondContact O-NE 3.49Å; A131-R234 PolarHBondContact O-NH2 3.11Å; S136-R234 WeakPolarHBondContact OG-CG 3.45Å; E153-R234 IonicContact OE1-NH2 2.87Å; E153-R234 IonicContact OE2-NH2 3.09Å; D155-R234 PolarHBondContact O-NH1 3.07Å; D155-R234 VanDerWaalsContact O-NH1 3.14Å; D155-R234 PolarHBondContact O-NH2 3.3Å; L156-R234 PolarHBondContact O-NH1 2.93Å; K157-R234 PolarHBondContact O-NH1 2.87Å; I230-R234 HydrophobicContact CG2-CG 4.32Å; I230-R234 WeakPolarHBondContact O-CB 3.47Å; I230-R234 VanDerWaalsContact O-CG 3.32Å; I230-R234 WeakPolarHBondContact O-CG 3.32Å; I230-R234 PolarHBondContact O-N 2.88Å; M231-R234 PolarHBondContact O-N 3.18Å; R234-A236 VanDerWaalsContact C-N 3.35Å; R234-A236 PolarHBondContact O-N 3.19Å; R234-A237 PolarHBondContact O-N 3.22Å; R234-M238 WeakPolarHBondContact O-CB 3.34Å; R234-M238 WeakPolarHBondContact O-CG 3.45Å; R234-M238 PolarHBondContact O-N 3.34Å
235	K	98.9	Very high	98.7	Very high	157 Å²	157	46.1 Å²	46.1	68%	0.683	25%	0.245	S	C	*	.	H	α-helix	trans	-58.3	-45.5	175.8	-177.9	-178.7	177.4	-176.4	0	111.7	M231 S232 L233 A237 M238 A239	M231-K235 VanDerWaalsContact O-CB 3.29Å; M231-K235 WeakPolarHBondContact O-CB 3.12Å; M231-K235 PolarHBondContact O-N 2.98Å; S232-K235 PolarHBondContact O-N 2.74Å; L233-K235 VanDerWaalsContact C-N 3.35Å; K235-A237 VanDerWaalsContact C-N 3.33Å; K235-A237 PolarHBondContact O-N 2.99Å; K235-M238 PolarHBondContact O-N 3.35Å; K235-A239 WeakPolarHBondContact O-CB 3.22Å; K235-A239 PolarHBondContact O-N 3.45Å; K235-A239 VanDerWaalsContact O-N 3.11Å
236	A	98.8	Very high	98.7	Very high	20 Å²	20	45.7 Å²	45.7	17%	0.165	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-40	177.5	0	0	0	0	0	112.2	L180 T183 S232 L233 R234	L180-A236 HydrophobicContact CD2-CB 4.13Å; T183-A236 HydrophobicContact CG2-CB 3.8Å; S232-A236 PolarHBondContact O-N 2.83Å; L233-A236 PolarHBondContact O-N 2.89Å; R234-A236 VanDerWaalsContact C-N 3.35Å; R234-A236 PolarHBondContact O-N 3.19Å
237	A	98.8	Very high	98.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-72	-41.8	177.1	0	0	0	0	0	113.1	S136 A139 A140 L233 R234 K235 A239 E240 A243 F245	S136-A237 WeakPolarHBondContact O-CB 3.18Å; A139-A237 HydrophobicContact CB-CB 4.15Å; A140-A237 HydrophobicContact CB-CB 3.91Å; L233-A237 PolarHBondContact O-N 2.92Å; R234-A237 PolarHBondContact O-N 3.22Å; K235-A237 VanDerWaalsContact C-N 3.33Å; K235-A237 PolarHBondContact O-N 2.99Å; A237-A239 PolarHBondContact O-N 3.07Å; A237-E240 WeakPolarHBondContact O-CB 3.46Å; A237-E240 PolarHBondContact O-N 3.04Å; A237-E240 VanDerWaalsContact O-N 3.08Å; A237-A243 WeakPolarHBondContact O-CB 3.23Å; A237-F245 HydrophobicContact CB-CE2 3.8Å; A237-F245 HydrophobicContact CB-CZ 3.54Å
238	M	98.8	Very high	98.7	Very high	86 Å²	86	47 Å²	47	42%	0.424	25%	0.249	S	C	.	.	H	α-helix	trans	-65.8	-21.5	177.6	-73.5	170.4	171.2	0	0	113.1	L156 R234 K235 F245	L156-M238 HydrophobicContact CD1-CE 3.94Å; L156-M238 HydrophobicContact CD2-CE 3.82Å; L156-M238 HydrophobicContact CG-CE 4.41Å; R234-M238 WeakPolarHBondContact O-CB 3.34Å; R234-M238 WeakPolarHBondContact O-CG 3.45Å; R234-M238 PolarHBondContact O-N 3.34Å; K235-M238 PolarHBondContact O-N 3.35Å; M238-F245 HydrophobicContact CB-CD2 4.4Å; M238-F245 HydrophobicContact CB-CE2 4.47Å; M238-F245 HydrophobicContact CE-CB 3.76Å; M238-F245 HydrophobicContact CE-CD1 3.6Å; M238-F245 HydrophobicContact CE-CD2 4.31Å; M238-F245 HydrophobicContact CE-CE1 4.27Å; M238-F245 HydrophobicContact CE-CG 3.62Å; M238-F245 HydrophobicContact CG-CB 4.39Å; M238-F245 HydrophobicContact CG-CD1 4.27Å; M238-F245 HydrophobicContact CG-CD2 3.44Å; M238-F245 VanDerWaalsContact CG-CD2 3.44Å; M238-F245 HydrophobicContact CG-CE1 4.46Å; M238-F245 HydrophobicContact CG-CE2 3.69Å; M238-F245 HydrophobicContact CG-CG 3.77Å; M238-F245 HydrophobicContact CG-CZ 4.2Å
239	A	98.7	Very high	98.7	Very high	80 Å²	80	45.9 Å²	45.9	66%	0.661	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-14.3	173.9	0	0	0	0	0	112.9	K235 A237	K235-A239 WeakPolarHBondContact O-CB 3.22Å; K235-A239 PolarHBondContact O-N 3.45Å; K235-A239 VanDerWaalsContact O-N 3.11Å; A237-A239 PolarHBondContact O-N 3.07Å
240	E	98.7	Very high	98.7	Very high	31 Å²	31	46.4 Å²	46.4	15%	0.145	25%	0.254	C	S	.	.	S	Bend	trans	-78.7	130.6	179	-59	-59.5	152.4	0	0	110.9	R144 A237 N242 A243	R144-E240 VanDerWaalsContact CG-CD 3.41Å; R144-E240 HydrophobicContact CG-CG 4.3Å; R144-E240 WeakPolarHBondContact CG-OE1 3.37Å; R144-E240 WeakPolarHBondContact CG-OE2 3.33Å; R144-E240 IonicContact CZ-OE1 2.78Å; R144-E240 VanDerWaalsContact CZ-OE1 3.31Å; R144-E240 IonicContact NE-OE1 3.94Å; R144-E240 PolarHBondContact NE-OE1 3.25Å; R144-E240 IonicContact NE-OE2 3.31Å; R144-E240 IonicContact NH2-OE1 3.18Å; R144-E240 PolarHBondContact NH2-OE1 3.46Å; A237-E240 WeakPolarHBondContact O-CB 3.46Å; A237-E240 PolarHBondContact O-N 3.04Å; A237-E240 VanDerWaalsContact O-N 3.08Å; E240-N242 PolarHBondContact O-N 3.01Å; E240-A243 HydrophobicContact CB-CB 4.03Å; E240-A243 PolarHBondContact O-N 3.46Å; E240-A243 VanDerWaalsContact O-N 3.1Å
241	P	98.2	Very high	98.7	Very high	117 Å²	117	49.5 Å²	49.5	76%	0.76	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.6	-175.9	26.1	-35	0	0	0	113.4
242	N	98.3	Very high	98.7	Very high	68 Å²	68	52 Å²	52	36%	0.364	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	3	179.9	-61.9	-33	0	0	0	113.4	S143 R147 V149 E240	S143-N242 PolarHBondContact O-ND2 2.97Å; S143-N242 VanDerWaalsContact O-ND2 3.15Å; R147-N242 VanDerWaalsContact O-CB 3.26Å; R147-N242 WeakPolarHBondContact O-CB 3.39Å; V149-N242 PolarHBondContact N-O 3.31Å; E240-N242 PolarHBondContact O-N 3.01Å
243	A	98.6	Very high	98.6	Very high	17 Å²	17	51.7 Å²	51.7	14%	0.14	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.6	179.3	0	0	0	0	0	111.3	S143 V149 A237 E240 F245	S143-A243 WeakPolarHBondContact OG-CB 3.4Å; V149-A243 WeakPolarHBondContact O-CA 3.44Å; A237-A243 WeakPolarHBondContact O-CB 3.23Å; E240-A243 HydrophobicContact CB-CB 4.03Å; E240-A243 PolarHBondContact O-N 3.46Å; E240-A243 VanDerWaalsContact O-N 3.1Å; A243-F245 HydrophobicContact CB-CE2 4.17Å
244	K	98.7	Very high	98.6	Very high	129 Å²	129	52.9 Å²	52.9	56%	0.561	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.1	170	-175.4	177.2	179.1	-179.1	0	110.1	V149 T150 V151	V149-K244 PolarHBondContact O-N 3.22Å; T150-K244 CarbonylContact C-O 3.53Å; T150-K244 VanDerWaalsContact CA-O 3.31Å; T150-K244 WeakPolarHBondContact CA-O 3.47Å; T150-K244 HydrophobicContact CG2-CB 4.46Å; V151-K244 PolarHBondContact N-O 3.44Å
245	F	98.8	Very high	98.5	Very high	34 Å²	34	56.9 Å²	56.9	15%	0.149	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135	174.6	-79.3	-106.8	0	0	0	110.1	A131 A139 V151 L156 A237 M238 A243	A131-F245 HydrophobicContact CB-CD1 4.43Å; A131-F245 HydrophobicContact CB-CE1 3.93Å; A139-F245 HydrophobicContact CB-CZ 4.32Å; V151-F245 HydrophobicContact CB-CD1 3.88Å; V151-F245 HydrophobicContact CB-CE1 3.81Å; V151-F245 HydrophobicContact CB-CG 4.28Å; V151-F245 HydrophobicContact CB-CZ 4.12Å; V151-F245 HydrophobicContact CG1-CD1 4.19Å; V151-F245 HydrophobicContact CG1-CE1 3.89Å; V151-F245 HydrophobicContact CG1-CZ 4.48Å; V151-F245 HydrophobicContact CG2-CD1 4.41Å; V151-F245 HydrophobicContact CG2-CD2 4.49Å; V151-F245 HydrophobicContact CG2-CE1 3.98Å; V151-F245 HydrophobicContact CG2-CE2 4.06Å; V151-F245 HydrophobicContact CG2-CZ 3.77Å; L156-F245 HydrophobicContact CD1-CB 4.44Å; L156-F245 HydrophobicContact CD2-CD1 3.99Å; A237-F245 HydrophobicContact CB-CE2 3.8Å; A237-F245 HydrophobicContact CB-CZ 3.54Å; M238-F245 HydrophobicContact CB-CD2 4.4Å; M238-F245 HydrophobicContact CB-CE2 4.47Å; M238-F245 HydrophobicContact CE-CB 3.76Å; M238-F245 HydrophobicContact CE-CD1 3.6Å; M238-F245 HydrophobicContact CE-CD2 4.31Å; M238-F245 HydrophobicContact CE-CE1 4.27Å; M238-F245 HydrophobicContact CE-CG 3.62Å; M238-F245 HydrophobicContact CG-CB 4.39Å; M238-F245 HydrophobicContact CG-CD1 4.27Å; M238-F245 HydrophobicContact CG-CD2 3.44Å; M238-F245 VanDerWaalsContact CG-CD2 3.44Å; M238-F245 HydrophobicContact CG-CE1 4.46Å; M238-F245 HydrophobicContact CG-CE2 3.69Å; M238-F245 HydrophobicContact CG-CG 3.77Å; M238-F245 HydrophobicContact CG-CZ 4.2Å; A243-F245 HydrophobicContact CB-CE2 4.17Å
246	I	98.6	Very high	98.3	Very high	19 Å²	19	55.5 Å²	55.5	10%	0.097	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126	176.5	-59.6	177.4	0	0	0	107.4	T150 V151 I152 E153 G248 Y265	T150-I246 HydrophobicContact CG2-CD1 3.64Å; T150-I246 HydrophobicContact CG2-CG1 4.1Å; V151-I246 PolarHBondContact O-N 2.88Å; I152-I246 WeakPolarHBondContact CA-O 3.46Å; I152-I246 HydrophobicContact CG1-CB 4.37Å; E153-I246 PolarHBondContact N-O 2.93Å; I246-G248 PolarHBondContact O-N 3.19Å; I246-Y265 HydrophobicContact CG2-CD2 4.37Å; I246-Y265 HydrophobicContact CG2-CE2 3.7Å
247	E	98.7	Very high	97.9	Very high	44 Å²	44	61.2 Å²	61.2	21%	0.206	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	113.2	169.5	-151.4	174.4	-173.9	0	0	109.1	E153 D155 L156 K268	E153-E247 CarbonylContact O-C 3.52Å; E153-E247 VanDerWaalsContact O-CA 3.31Å; E153-E247 WeakPolarHBondContact O-CA 3.38Å; D155-E247 WeakPolarHBondContact CA-OE1 3.48Å; L156-E247 HydrophobicContact CB-CG 4.29Å; L156-E247 HydrophobicContact CD1-CB 3.91Å; L156-E247 HydrophobicContact CD1-CG 4.16Å; L156-E247 HydrophobicContact CG-CB 4.28Å; L156-E247 HydrophobicContact CG-CG 3.99Å; L156-E247 PolarHBondContact N-OE1 3.38Å; E247-K268 HydrophobicContact CB-CB 4.25Å; E247-K268 HydrophobicContact CB-CD 4.26Å; E247-K268 HydrophobicContact CG-CB 4.33Å; E247-K268 HydrophobicContact CG-CD 3.54Å; E247-K268 WeakPolarHBondContact O-CB 2.89Å; E247-K268 PolarHBondContact O-N 2.92Å; E247-K268 IonicContact OE1-NZ 2.69Å; E247-K268 PolarHBondContact OE1-NZ 3.38Å; E247-K268 IonicContact OE2-NZ 3.72Å
248	G	98.5	Very high	97.5	Very high	2 Å²	2	66.2 Å²	66.2	2%	0.021	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177	164.6	-172.2	0	0	0	0	0	112.9	I152 E153 R154 I246 K266	I152-G248 WeakPolarHBondContact CG2-O 3.24Å; E153-G248 CarbonylContact C-O 3.49Å; E153-G248 PolarHBondContact O-N 3.43Å; E153-G248 VanDerWaalsContact O-O 3.11Å; R154-G248 VanDerWaalsContact CA-O 3.27Å; R154-G248 WeakPolarHBondContact CA-O 3.39Å; R154-G248 PolarHBondContact N-O 3.21Å; R154-G248 VanDerWaalsContact N-O 3.16Å; I246-G248 PolarHBondContact O-N 3.19Å; G248-K266 CarbonylContact C-O 3.53Å; G248-K266 WeakPolarHBondContact CA-O 3.36Å
249	V	98.7	Very high	97.3	Very high	60 Å²	60	62.4 Å²	62.4	36%	0.364	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	113.8	-179.1	-175.8	0	0	0	0	109	R154 L251 Y265 K266	R154-V249 HydrophobicContact CB-CG2 3.89Å; V249-L251 HydrophobicContact CG1-CD2 4.28Å; V249-L251 PolarHBondContact O-N 3.42Å; V249-Y265 CarbonylContact O-C 3.06Å; V249-Y265 WeakPolarHBondContact O-CA 3.35Å; V249-K266 PolarHBondContact N-O 2.78Å; V249-K266 PolarHBondContact O-N 2.82Å
250	V	98.8	Very high	97.3	Very high	11 Å²	11	58.6 Å²	58.6	7%	0.067	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	128.4	171.1	-176.2	0	0	0	0	109.3	V129 I152 V263 F291	V129-V250 HydrophobicContact CB-CG2 4.37Å; V129-V250 HydrophobicContact CG1-CB 3.81Å; V129-V250 HydrophobicContact CG1-CG1 4.27Å; V129-V250 HydrophobicContact CG1-CG2 3.67Å; V129-V250 HydrophobicContact CG2-CG1 4.39Å; V129-V250 HydrophobicContact CG2-CG2 4.07Å; I152-V250 HydrophobicContact CB-CG2 3.88Å; I152-V250 HydrophobicContact CD1-CG2 4.05Å; I152-V250 HydrophobicContact CG2-CG2 3.7Å; V250-V263 HydrophobicContact CG1-CB 3.86Å; V250-V263 HydrophobicContact CG1-CG1 4.11Å; V250-F291 HydrophobicContact CB-CE2 4.35Å; V250-F291 HydrophobicContact CB-CZ 4.07Å; V250-F291 HydrophobicContact CG1-CE1 4.36Å; V250-F291 HydrophobicContact CG1-CE2 4.13Å; V250-F291 HydrophobicContact CG1-CZ 3.6Å
251	L	98.4	Very high	97.2	Very high	69 Å²	69	60.1 Å²	60.1	36%	0.361	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-43.5	-176.6	-57.6	-178.7	0	0	0	111	V249 Q264 K266 I273	V249-L251 HydrophobicContact CG1-CD2 4.28Å; V249-L251 PolarHBondContact O-N 3.42Å; L251-Q264 PolarHBondContact N-O 2.82Å; L251-K266 HydrophobicContact CD1-CB 4.21Å; L251-K266 HydrophobicContact CG-CB 4.46Å; L251-I273 HydrophobicContact CD1-CD1 4.26Å; L251-I273 HydrophobicContact CD1-CG1 4.33Å
252	Q	98.2	Very high	97.2	Very high	115 Å²	115	54.5 Å²	54.5	54%	0.537	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	153	-173.5	-60.7	-175.4	1.5	0	0	111.2	V263 Q264	Q252-V263 WeakPolarHBondContact O-CA 3.47Å; Q252-Q264 HydrophobicContact CB-CB 4.35Å; Q252-Q264 PolarHBondContact N-O 3.01Å; Q252-Q264 PolarHBondContact O-N 3.06Å
253	L	98.5	Very high	97.3	Very high	19 Å²	19	51.3 Å²	51.3	10%	0.099	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	131.5	163.4	-59.1	-178.2	0	0	0	107.4	V260 V263 T281 V283 F291 L295	L253-V260 HydrophobicContact CB-CG1 4.23Å; L253-V260 HydrophobicContact CB-CG2 4.45Å; L253-V260 HydrophobicContact CD1-CG2 4.27Å; L253-V263 HydrophobicContact CD2-CG1 3.94Å; L253-T281 HydrophobicContact CD2-CG2 4.17Å; L253-V283 HydrophobicContact CD1-CG2 4.34Å; L253-V283 HydrophobicContact CD2-CG2 4.15Å; L253-F291 HydrophobicContact CD1-CB 4.23Å; L253-F291 HydrophobicContact CD1-CD1 4.34Å; L253-F291 HydrophobicContact CD1-CG 4.45Å; L253-F291 HydrophobicContact CD2-CD1 4.27Å; L253-F291 HydrophobicContact CD2-CG 4.46Å; L253-F291 HydrophobicContact CG-CD1 3.82Å; L253-F291 HydrophobicContact CG-CE1 4.36Å; L253-F291 HydrophobicContact CG-CG 4.27Å; L253-L295 HydrophobicContact CD1-CD1 4.24Å; L253-L295 HydrophobicContact CD1-CD2 4.36Å
254	L	98.1	Very high	97.3	Very high	26 Å²	26	52.3 Å²	52.3	14%	0.136	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	123	175	-61.5	173.8	0	0	0	107.6	V260 M261 G262 Q264 E275	L254-V260 CarbonylContact O-C 3.54Å; L254-V260 WeakPolarHBondContact O-CA 3.49Å; L254-M261 PolarHBondContact O-N 3.2Å; L254-G262 PolarHBondContact N-O 3.42Å; L254-Q264 HydrophobicContact CD2-CB 4.06Å; L254-E275 HydrophobicContact CD1-CB 3.89Å; L254-E275 HydrophobicContact CD1-CG 3.95Å; L254-E275 HydrophobicContact CD2-CG 4.33Å
255	E	96.2	Very high	97.3	Very high	90 Å²	90	47 Å²	47	42%	0.421	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.9	-175.5	-61.9	-173	-176.7	0	0	110.7	A259 V260 K400	E255-A259 CarbonylContact C-O 3.53Å; E255-A259 VanDerWaalsContact CA-O 3.27Å; E255-A259 WeakPolarHBondContact CA-O 3.42Å; E255-V260 HydrophobicContact CG-CG2 4.1Å; E255-K400 IonicContact OE1-NZ 3.88Å; E255-K400 PolarHBondContact OE1-NZ 3.38Å; E255-K400 IonicContact OE2-NZ 3.63Å; E255-K400 PolarHBondContact OE2-NZ 3.21Å
256	E	94.7	Very high	97.2	Very high	129 Å²	129	50.4 Å²	50.4	60%	0.603	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	131.4	173.6	-170.8	172.6	-163.3	0	0	108.1	D258 A259 M261	E256-D258 VanDerWaalsContact C-N 3.25Å; E256-D258 PolarHBondContact O-N 3.27Å; E256-D258 VanDerWaalsContact O-N 3.12Å; E256-A259 PolarHBondContact N-O 3.06Å; E256-A259 WeakPolarHBondContact O-CB 3.47Å; E256-A259 PolarHBondContact O-N 3.38Å; E256-M261 HydrophobicContact CB-CG 3.9Å
257	D	91.3	Very high	97.2	Very high	139 Å²	139	50.3 Å²	50.3	74%	0.743	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	41.4	-177.7	-63.7	-31.1	0	0	0	115	A259 R401	D257-A259 PolarHBondContact O-N 2.89Å; D257-R401 PolarHBondContact O-NH2 3.23Å
258	D	89.3	Confident	97.1	Very high	105 Å²	105	53.1 Å²	53.1	56%	0.561	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	23.9	-176.7	-162.4	38.7	0	0	0	114.5	E256 K400	E256-D258 VanDerWaalsContact C-N 3.25Å; E256-D258 PolarHBondContact O-N 3.27Å; E256-D258 VanDerWaalsContact O-N 3.12Å; D258-K400 WeakPolarHBondContact OD1-CE 3.38Å; D258-K400 IonicContact OD1-NZ 2.82Å
259	A	96	Very high	97	Very high	7 Å²	7	61.3 Å²	61.3	6%	0.058	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.3	169.1	0	0	0	0	0	110.4	E255 E256 D257 M261 R401	E255-A259 CarbonylContact C-O 3.53Å; E255-A259 VanDerWaalsContact CA-O 3.27Å; E255-A259 WeakPolarHBondContact CA-O 3.42Å; E256-A259 PolarHBondContact N-O 3.06Å; E256-A259 WeakPolarHBondContact O-CB 3.47Å; E256-A259 PolarHBondContact O-N 3.38Å; D257-A259 PolarHBondContact O-N 2.89Å; A259-M261 HydrophobicContact CB-SD 4.16Å; A259-M261 PolarHBondContact O-N 2.87Å; A259-R401 HydrophobicContact CB-CB 3.88Å
260	V	98.2	Very high	96.9	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	120.2	173.5	176.2	0	0	0	0	108.8	L253 L254 E255 K400 R401 G402 V403	L253-V260 HydrophobicContact CB-CG1 4.23Å; L253-V260 HydrophobicContact CB-CG2 4.45Å; L253-V260 HydrophobicContact CD1-CG2 4.27Å; L254-V260 CarbonylContact O-C 3.54Å; L254-V260 WeakPolarHBondContact O-CA 3.49Å; E255-V260 HydrophobicContact CG-CG2 4.1Å; V260-K400 HydrophobicContact CG2-CD 3.74Å; V260-K400 HydrophobicContact CG2-CG 4.08Å; V260-R401 PolarHBondContact N-O 3.15Å; V260-G402 WeakPolarHBondContact O-CA 3.49Å; V260-V403 HydrophobicContact CB-CB 3.9Å; V260-V403 HydrophobicContact CB-CG1 4.33Å; V260-V403 HydrophobicContact CG1-CB 4.31Å; V260-V403 HydrophobicContact CG2-CB 3.75Å; V260-V403 HydrophobicContact CG2-CG1 3.76Å; V260-V403 HydrophobicContact CG2-CG2 4.4Å
261	M	97.4	Very high	96.8	Very high	62 Å²	62	63.1 Å²	63.1	31%	0.305	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-7.1	-177.2	-57.3	-53	-68.6	0	0	113.1	L254 E256 A259 H277 A278	L254-M261 PolarHBondContact O-N 3.2Å; E256-M261 HydrophobicContact CB-CG 3.9Å; A259-M261 HydrophobicContact CB-SD 4.16Å; A259-M261 PolarHBondContact O-N 2.87Å; M261-H277 VanDerWaalsContact O-CA 3.29Å; M261-H277 WeakPolarHBondContact O-CA 3.43Å; M261-A278 CarbonylContact C-O 3.48Å; M261-A278 PolarHBondContact O-N 3.37Å
262	G	98.1	Very high	96.7	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.9	-155.5	-177	0	0	0	0	0	113.8	L254 L276	L254-G262 PolarHBondContact N-O 3.42Å; G262-L276 CarbonylContact C-O 3.58Å; G262-L276 WeakPolarHBondContact CA-O 3.48Å
263	V	98.7	Very high	96.7	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.9	-178.7	-57.7	0	0	0	0	112.2	I127 V129 I152 V250 Q252 L253 Y265 E275 L276 T281	I127-V263 HydrophobicContact CD1-CG2 4.27Å; I127-V263 HydrophobicContact CG2-CG1 4.09Å; I127-V263 HydrophobicContact CG2-CG2 3.84Å; V129-V263 HydrophobicContact CG2-CG1 3.99Å; I152-V263 HydrophobicContact CD1-CG2 3.68Å; V250-V263 HydrophobicContact CG1-CB 3.86Å; V250-V263 HydrophobicContact CG1-CG1 4.11Å; Q252-V263 WeakPolarHBondContact O-CA 3.47Å; L253-V263 HydrophobicContact CD2-CG1 3.94Å; V263-Y265 HydrophobicContact CG2-CD1 4.44Å; V263-E275 WeakPolarHBondContact O-CA 3.41Å; V263-L276 HydrophobicContact CG2-CB 4.35Å; V263-L276 PolarHBondContact N-O 3.28Å; V263-L276 PolarHBondContact O-N 2.97Å; V263-T281 HydrophobicContact CG1-CG2 3.68Å
264	Q	98.6	Very high	96.7	Very high	39 Å²	39	66 Å²	66	18%	0.182	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.3	163.7	-170.6	-177.8	80.9	0	0	108.8	L251 Q252 L254 I273 K274 E275	L251-Q264 PolarHBondContact N-O 2.82Å; Q252-Q264 HydrophobicContact CB-CB 4.35Å; Q252-Q264 PolarHBondContact N-O 3.01Å; Q252-Q264 PolarHBondContact O-N 3.06Å; L254-Q264 HydrophobicContact CD2-CB 4.06Å; Q264-I273 VanDerWaalsContact CD-CG2 3.48Å; Q264-I273 HydrophobicContact CG-CG2 3.43Å; Q264-I273 VanDerWaalsContact CG-CG2 3.43Å; Q264-K274 WeakPolarHBondContact CA-O 3.24Å; Q264-E275 HydrophobicContact CB-CG 4.25Å; Q264-E275 HydrophobicContact CG-CG 4.06Å; Q264-E275 PolarHBondContact NE2-OE1 3.47Å
265	Y	98.7	Very high	96.7	Very high	16 Å²	16	69.9 Å²	69.9	6%	0.063	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	154.2	-178.1	71.7	-80.4	0	0	0	111.9	I152 I246 V249 V263 D267 I273 K274 L276	I152-Y265 HydrophobicContact CD1-CD1 3.64Å; I152-Y265 HydrophobicContact CD1-CD2 4.3Å; I152-Y265 HydrophobicContact CD1-CE1 4.1Å; I152-Y265 HydrophobicContact CD1-CG 3.74Å; I152-Y265 HydrophobicContact CG2-CD2 4.35Å; I152-Y265 HydrophobicContact CG2-CG 4.42Å; I246-Y265 HydrophobicContact CG2-CD2 4.37Å; I246-Y265 HydrophobicContact CG2-CE2 3.7Å; V249-Y265 CarbonylContact O-C 3.06Å; V249-Y265 WeakPolarHBondContact O-CA 3.35Å; V263-Y265 HydrophobicContact CG2-CD1 4.44Å; Y265-D267 HydrophobicContact CE2-CB 4.25Å; Y265-I273 WeakPolarHBondContact O-CA 3.32Å; Y265-K274 HydrophobicContact CD1-CB 4.39Å; Y265-K274 WeakPolarHBondContact CD1-O 3.36Å; Y265-K274 HydrophobicContact CE1-CB 3.76Å; Y265-K274 HydrophobicContact CE2-CB 4.31Å; Y265-K274 HydrophobicContact CE2-CD 4.44Å; Y265-K274 PolarHBondContact N-O 2.77Å; Y265-K274 PolarHBondContact O-N 3.02Å; Y265-L276 HydrophobicContact CE1-CB 4.08Å
266	K	98.6	Very high	96.8	Very high	106 Å²	106	66.8 Å²	66.8	46%	0.461	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.1	169.5	-174.1	173.6	-177.6	173.7	0	109.5	G248 V249 L251 G271 D272	G248-K266 CarbonylContact C-O 3.53Å; G248-K266 WeakPolarHBondContact CA-O 3.36Å; V249-K266 PolarHBondContact N-O 2.78Å; V249-K266 PolarHBondContact O-N 2.82Å; L251-K266 HydrophobicContact CD1-CB 4.21Å; L251-K266 HydrophobicContact CG-CB 4.46Å; K266-G271 VanDerWaalsContact CE-O 3.24Å; K266-G271 WeakPolarHBondContact CE-O 3.34Å; K266-D272 WeakPolarHBondContact CA-O 3.4Å
267	D	98.3	Very high	97	Very high	18 Å²	18	64.4 Å²	64.4	10%	0.096	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	135.5	174.6	-169.2	-66.8	0	0	0	110.2	Y265 E269 T270 G271 D272 K274	Y265-D267 HydrophobicContact CE2-CB 4.25Å; D267-E269 PolarHBondContact OD1-N 2.91Å; D267-T270 PolarHBondContact OD1-N 3.06Å; D267-G271 WeakPolarHBondContact O-CA 3.43Å; D267-G271 PolarHBondContact O-N 3.04Å; D267-D272 PolarHBondContact N-O 2.87Å; D267-K274 HydrophobicContact CB-CD 4.32Å; D267-K274 IonicContact OD2-NZ 3.05Å; D267-K274 PolarHBondContact OD2-NZ 2.88Å
268	K	97	Very high	97.3	Very high	103 Å²	103	58 Å²	58	45%	0.448	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-32.9	-177.5	-170	175.8	-178	171.1	0	112.8	R154 D155 E247	R154-K268 PolarHBondContact O-NZ 3.08Å; D155-K268 IonicContact OD1-NZ 2.66Å; E247-K268 HydrophobicContact CB-CB 4.25Å; E247-K268 HydrophobicContact CB-CD 4.26Å; E247-K268 HydrophobicContact CG-CB 4.33Å; E247-K268 HydrophobicContact CG-CD 3.54Å; E247-K268 WeakPolarHBondContact O-CB 2.89Å; E247-K268 PolarHBondContact O-N 2.92Å; E247-K268 IonicContact OE1-NZ 2.69Å; E247-K268 PolarHBondContact OE1-NZ 3.38Å; E247-K268 IonicContact OE2-NZ 3.72Å
269	E	94.9	Very high	97.7	Very high	174 Å²	174	53.6 Å²	53.6	81%	0.813	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-48.8	-177.3	-65.3	-174	171	0	0	110.9	D267	D267-E269 PolarHBondContact OD1-N 2.91Å
270	T	96.4	Very high	97.9	Very high	75 Å²	75	53.3 Å²	53.3	46%	0.46	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-24.9	-176.4	76.5	0	0	0	0	113.1	D267 D272 K274	D267-T270 PolarHBondContact OD1-N 3.06Å; T270-D272 WeakPolarHBondContact CB-OD2 3.43Å; T270-D272 PolarHBondContact O-N 3.19Å; T270-D272 WeakPolarHBondContact OG1-CB 3.43Å; T270-D272 VanDerWaalsContact OG1-CG 3.23Å; T270-D272 PolarHBondContact OG1-N 2.97Å; T270-D272 PolarHBondContact OG1-OD2 2.93Å; T270-K274 PolarHBondContact OG1-NZ 3.12Å
271	G	96.6	Very high	97.9	Very high	34 Å²	34	53.3 Å²	53.3	35%	0.351	27%	0.268	S	S	.	.			trans	78.2	-2.5	-174.2	0	0	0	0	0	114.3	K266 D267	K266-G271 VanDerWaalsContact CE-O 3.24Å; K266-G271 WeakPolarHBondContact CE-O 3.34Å; D267-G271 WeakPolarHBondContact O-CA 3.43Å; D267-G271 PolarHBondContact O-N 3.04Å
272	D	97.8	Very high	98	Very high	90 Å²	90	50.4 Å²	50.4	48%	0.481	25%	0.253	S	S	.	.			trans	-72.2	149.9	-179.1	-56.9	-45.3	0	0	0	111.6	K266 D267 T270 K274	K266-D272 WeakPolarHBondContact CA-O 3.4Å; D267-D272 PolarHBondContact N-O 2.87Å; T270-D272 WeakPolarHBondContact CB-OD2 3.43Å; T270-D272 PolarHBondContact O-N 3.19Å; T270-D272 WeakPolarHBondContact OG1-CB 3.43Å; T270-D272 VanDerWaalsContact OG1-CG 3.23Å; T270-D272 PolarHBondContact OG1-N 2.97Å; T270-D272 PolarHBondContact OG1-OD2 2.93Å; D272-K274 HydrophobicContact CB-CG 4.27Å
273	I	98.4	Very high	98	Very high	106 Å²	106	50.4 Å²	50.4	54%	0.544	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.3	167.8	-60.3	177.8	0	0	0	107.4	L251 Q264 Y265	L251-I273 HydrophobicContact CD1-CD1 4.26Å; L251-I273 HydrophobicContact CD1-CG1 4.33Å; Q264-I273 VanDerWaalsContact CD-CG2 3.48Å; Q264-I273 HydrophobicContact CG-CG2 3.43Å; Q264-I273 VanDerWaalsContact CG-CG2 3.43Å; Y265-I273 WeakPolarHBondContact O-CA 3.32Å
274	K	97.9	Very high	98	Very high	67 Å²	67	50.8 Å²	50.8	29%	0.291	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	154.8	-177.9	-61.6	176.1	-170.7	167.4	0	109.8	Q264 Y265 D267 T270 D272	Q264-K274 WeakPolarHBondContact CA-O 3.24Å; Y265-K274 HydrophobicContact CD1-CB 4.39Å; Y265-K274 WeakPolarHBondContact CD1-O 3.36Å; Y265-K274 HydrophobicContact CE1-CB 3.76Å; Y265-K274 HydrophobicContact CE2-CB 4.31Å; Y265-K274 HydrophobicContact CE2-CD 4.44Å; Y265-K274 PolarHBondContact N-O 2.77Å; Y265-K274 PolarHBondContact O-N 3.02Å; D267-K274 HydrophobicContact CB-CD 4.32Å; D267-K274 IonicContact OD2-NZ 3.05Å; D267-K274 PolarHBondContact OD2-NZ 2.88Å; T270-K274 PolarHBondContact OG1-NZ 3.12Å; D272-K274 HydrophobicContact CB-CG 4.27Å
275	E	98.1	Very high	98	Very high	107 Å²	107	51.2 Å²	51.2	50%	0.5	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	146.6	174.3	-69.2	178.7	-178	0	0	109.6	L254 V263 Q264	L254-E275 HydrophobicContact CD1-CB 3.89Å; L254-E275 HydrophobicContact CD1-CG 3.95Å; L254-E275 HydrophobicContact CD2-CG 4.33Å; V263-E275 WeakPolarHBondContact O-CA 3.41Å; Q264-E275 HydrophobicContact CB-CG 4.25Å; Q264-E275 HydrophobicContact CG-CG 4.06Å; Q264-E275 PolarHBondContact NE2-OE1 3.47Å
276	L	98.3	Very high	97.9	Very high	26 Å²	26	51.3 Å²	51.3	14%	0.136	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	127.4	177	-173.8	66.2	0	0	0	108.5	P124 I127 T150 I152 G262 V263 Y265	P124-L276 HydrophobicContact CG-CD1 4.11Å; P124-L276 HydrophobicContact CG-CD2 4.13Å; P124-L276 HydrophobicContact CG-CG 4.1Å; I127-L276 HydrophobicContact CD1-CB 4.01Å; I127-L276 HydrophobicContact CD1-CD2 3.85Å; I127-L276 HydrophobicContact CD1-CG 3.62Å; I127-L276 VanDerWaalsContact CD1-O 3.24Å; I127-L276 WeakPolarHBondContact CD1-O 3.42Å; I127-L276 HydrophobicContact CG1-CD2 3.84Å; I127-L276 HydrophobicContact CG1-CG 4.11Å; T150-L276 HydrophobicContact CG2-CD2 3.64Å; I152-L276 HydrophobicContact CD1-CD2 4.39Å; G262-L276 CarbonylContact C-O 3.58Å; G262-L276 WeakPolarHBondContact CA-O 3.48Å; V263-L276 HydrophobicContact CG2-CB 4.35Å; V263-L276 PolarHBondContact N-O 3.28Å; V263-L276 PolarHBondContact O-N 2.97Å; Y265-L276 HydrophobicContact CE1-CB 4.08Å
277	H	98.3	Very high	97.8	Very high	79 Å²	79	47.3 Å²	47.3	37%	0.366	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	145.8	-176.2	-63.2	87.3	0	0	0	110.6	P124 M261	P124-H277 WeakPolarHBondContact CD-O 3.34Å; M261-H277 VanDerWaalsContact O-CA 3.29Å; M261-H277 WeakPolarHBondContact O-CA 3.43Å
278	A	98.3	Very high	97.7	Very high	3 Å²	3	53 Å²	53	3%	0.025	27%	0.274	C	S	.	.			trans	-160.6	150.4	173	0	0	0	0	0	109.9	P124 I127 M261 L280	P124-A278 HydrophobicContact CG-CB 4.33Å; P124-A278 VanDerWaalsContact O-CB 3.29Å; P124-A278 WeakPolarHBondContact O-CB 3.44Å; I127-A278 HydrophobicContact CB-CB 4.4Å; I127-A278 HydrophobicContact CD1-CB 3.58Å; I127-A278 HydrophobicContact CG1-CB 3.6Å; M261-A278 CarbonylContact C-O 3.48Å; M261-A278 PolarHBondContact O-N 3.37Å; A278-L280 PolarHBondContact O-N 3.5Å
279	P	97.8	Very high	97.7	Very high	14 Å²	14	48.8 Å²	48.8	9%	0.091	26%	0.257	C	S	.	.	S	Bend	trans	-61.8	-27	174.1	22.7	-31.2	0	0	0	113	E125 G402 L441 Y442	E125-P279 WeakPolarHBondContact O-CD 3.21Å; E125-P279 VanDerWaalsContact O-CG 3.31Å; E125-P279 WeakPolarHBondContact O-CG 3.43Å; P279-G402 WeakPolarHBondContact O-CA 3.3Å; P279-L441 HydrophobicContact CB-CB 3.9Å; P279-L441 HydrophobicContact CG-CB 3.85Å; P279-Y442 HydrophobicContact CB-CD1 3.79Å; P279-Y442 HydrophobicContact CB-CD2 3.82Å; P279-Y442 HydrophobicContact CB-CE1 3.78Å; P279-Y442 HydrophobicContact CB-CE2 3.79Å; P279-Y442 HydrophobicContact CB-CG 3.81Å; P279-Y442 HydrophobicContact CG-CD2 4.19Å; P279-Y442 HydrophobicContact CG-CE2 3.88Å
280	L	98.8	Very high	97.8	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.3	179.8	-167	65	0	0	0	112.7	E125 V126 I127 A278 L404 L435 L441 I447	E125-L280 PolarHBondContact O-N 3.37Å; V126-L280 VanDerWaalsContact CA-O 3.32Å; V126-L280 WeakPolarHBondContact CA-O 3.21Å; V126-L280 HydrophobicContact CG2-CB 4.49Å; I127-L280 PolarHBondContact N-O 2.63Å; A278-L280 PolarHBondContact O-N 3.5Å; L280-L404 HydrophobicContact CD1-CD1 4.49Å; L280-L404 HydrophobicContact CD1-CG 4Å; L280-L404 HydrophobicContact CD2-CD1 4.1Å; L280-L404 HydrophobicContact CD2-CG 4.49Å; L280-L404 HydrophobicContact CG-CG 4.5Å; L280-L435 HydrophobicContact CD2-CD1 4.37Å; L280-L435 HydrophobicContact CD2-CD2 4.06Å; L280-L441 HydrophobicContact CB-CB 4.48Å; L280-L441 HydrophobicContact CB-CD1 4.1Å; L280-L441 HydrophobicContact CD2-CD1 4.25Å; L280-I447 HydrophobicContact CD1-CG2 4.48Å
281	T	98.9	Very high	97.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.5	170.8	-60.9	0	0	0	0	110.7	I127 V129 L253 V263 G402 V403 L404	I127-T281 CarbonylContact O-C 3.56Å; I127-T281 WeakPolarHBondContact O-CA 3.25Å; V129-T281 HydrophobicContact CG2-CG2 4.12Å; L253-T281 HydrophobicContact CD2-CG2 4.17Å; V263-T281 HydrophobicContact CG1-CG2 3.68Å; T281-G402 PolarHBondContact N-O 3.18Å; T281-V403 CarbonylContact O-C 3.47Å; T281-V403 VanDerWaalsContact O-CA 3.24Å; T281-V403 WeakPolarHBondContact O-CA 3.35Å; T281-V403 WeakPolarHBondContact O-CG2 3.38Å; T281-L404 PolarHBondContact O-N 2.97Å
282	V	98.9	Very high	97.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112.8	175.3	-175.1	0	0	0	0	109.8	V126 I127 I128 V129 L138 L404 L406	V126-V282 HydrophobicContact CG1-CG2 3.89Å; I127-V282 PolarHBondContact O-N 3.05Å; I128-V282 WeakPolarHBondContact CA-O 3.24Å; I128-V282 HydrophobicContact CG1-CB 4.28Å; V129-V282 PolarHBondContact N-O 3.17Å; L138-V282 HydrophobicContact CD2-CB 4.35Å; L138-V282 HydrophobicContact CD2-CG1 3.81Å; L138-V282 HydrophobicContact CD2-CG2 4.17Å; V282-L404 CarbonylContact C-O 3.58Å; V282-L404 WeakPolarHBondContact CA-O 3.45Å; V282-L404 HydrophobicContact CG1-CB 4.41Å; V282-L404 HydrophobicContact CG2-CB 4.3Å; V282-L404 HydrophobicContact CG2-CD1 4.27Å; V282-L406 HydrophobicContact CG1-CD1 3.93Å; V282-L406 HydrophobicContact CG1-CG 4.37Å
283	V	98.9	Very high	97.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	115.4	174.7	-179.1	0	0	0	0	110	L253 D285 F291 L295 V403 L404 L405 L406	L253-V283 HydrophobicContact CD1-CG2 4.34Å; L253-V283 HydrophobicContact CD2-CG2 4.15Å; V283-D285 VanDerWaalsContact CG1-OD1 3.3Å; V283-D285 WeakPolarHBondContact CG1-OD1 3.3Å; V283-F291 HydrophobicContact CG1-CB 4.08Å; V283-F291 HydrophobicContact CG1-CD2 3.94Å; V283-F291 HydrophobicContact CG1-CG 4.44Å; V283-F291 HydrophobicContact CG2-CB 4.47Å; V283-L295 HydrophobicContact CG2-CD1 4.11Å; V283-V403 HydrophobicContact CG2-CG2 4.04Å; V283-L404 PolarHBondContact N-O 2.92Å; V283-L405 HydrophobicContact CB-CD1 3.66Å; V283-L405 HydrophobicContact CG1-CD1 3.49Å; V283-L405 VanDerWaalsContact CG1-CD1 3.49Å; V283-L406 PolarHBondContact O-N 3.47Å
284	A	98.6	Very high	97.6	Very high	9 Å²	9	47.4 Å²	47.4	7%	0.074	23%	0.232	C	C	.	.			trans	-135.6	31.2	-175.4	0	0	0	0	0	112.6	I128 V129 L134 G286	I128-A284 HydrophobicContact CG2-CB 4.44Å; V129-A284 CarbonylContact O-C 3.59Å; V129-A284 VanDerWaalsContact O-CA 3.26Å; V129-A284 WeakPolarHBondContact O-CA 3.43Å; V129-A284 WeakPolarHBondContact O-CB 3.33Å; V129-A284 PolarHBondContact O-N 3.34Å; L134-A284 HydrophobicContact CB-CB 4.3Å; L134-A284 HydrophobicContact CD1-CB 3.56Å; L134-A284 HydrophobicContact CG-CB 4.38Å; A284-G286 PolarHBondContact O-N 2.6Å; A284-G286 VanDerWaalsContact O-N 3.17Å
285	D	98.1	Very high	97.5	Very high	47 Å²	47	44.8 Å²	44.8	25%	0.251	22%	0.221	S	C	.	.			trans	-79.9	10.1	-172.1	62.7	-21.2	0	0	0	114.9	V129 V283 S289 K290 F291 A409	V129-D285 HydrophobicContact CG1-CB 4.39Å; V129-D285 PolarHBondContact O-N 3.14Å; V283-D285 VanDerWaalsContact CG1-OD1 3.3Å; V283-D285 WeakPolarHBondContact CG1-OD1 3.3Å; D285-S289 VanDerWaalsContact CG-OG 3.26Å; D285-S289 WeakPolarHBondContact OD1-CA 3.38Å; D285-S289 WeakPolarHBondContact OD1-CB 3.27Å; D285-S289 PolarHBondContact OD1-OG 3.06Å; D285-S289 WeakPolarHBondContact OD2-CA 3.42Å; D285-S289 PolarHBondContact OD2-OG 3.19Å; D285-K290 PolarHBondContact OD2-N 3.19Å; D285-F291 WeakPolarHBondContact OD2-CD2 3.49Å; D285-A409 WeakPolarHBondContact OD1-CB 3.34Å
286	G	96.9	Very high	97.3	Very high	19 Å²	19	40.4 Å²	40.4	20%	0.196	20%	0.201	C	C	.	.			trans	80.4	-162.5	166.8	0	0	0	0	0	115.6	A284 F288 S289 R292 A409	A284-G286 PolarHBondContact O-N 2.6Å; A284-G286 VanDerWaalsContact O-N 3.17Å; G286-F288 PolarHBondContact O-N 3.46Å; G286-F288 VanDerWaalsContact O-N 3.14Å; G286-S289 WeakPolarHBondContact O-CB 3.08Å; G286-S289 PolarHBondContact O-N 3.39Å; G286-S289 VanDerWaalsContact O-N 3.08Å; G286-R292 PolarHBondContact O-NH2 3.08Å; G286-A409 WeakPolarHBondContact O-CA 3.29Å; G286-A409 PolarHBondContact O-N 3.48Å
287	L	96.1	Very high	96.8	Very high	22 Å²	22	44 Å²	44	12%	0.115	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.8	-169.5	76.7	159.7	0	0	0	114.7	S289 R292 M388 P389 D408 M412	L287-S289 VanDerWaalsContact C-N 3.34Å; L287-R292 PolarHBondContact O-NH1 3.14Å; L287-R292 PolarHBondContact O-NH2 3Å; L287-M388 HydrophobicContact CD1-CE 3.6Å; L287-M388 HydrophobicContact CD2-CE 4.16Å; L287-P389 HydrophobicContact CD1-CG 4.25Å; L287-D408 HydrophobicContact CB-CB 4.35Å; L287-M412 HydrophobicContact CB-SD 3.64Å
288	F	96.6	Very high	96.4	Very high	138 Å²	138	41.8 Å²	41.8	61%	0.605	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	32.2	-179.8	-60.4	-56.9	0	0	0	112.2	G286 K290 M388 P389	G286-F288 PolarHBondContact O-N 3.46Å; G286-F288 VanDerWaalsContact O-N 3.14Å; F288-K290 PolarHBondContact O-N 3.41Å; F288-M388 HydrophobicContact CE2-CE 4.14Å; F288-M388 HydrophobicContact CZ-CE 4.5Å; F288-P389 HydrophobicContact CE1-CG 4.08Å; F288-P389 HydrophobicContact CZ-CG 3.86Å
289	S	97.9	Very high	96.2	Very high	14 Å²	14	50.4 Å²	50.4	10%	0.098	26%	0.256	C	S	.	.			trans	-49	131.2	-179.3	179.4	0	0	0	0	112.9	D285 G286 L287 F291 R292	D285-S289 VanDerWaalsContact CG-OG 3.26Å; D285-S289 WeakPolarHBondContact OD1-CA 3.38Å; D285-S289 WeakPolarHBondContact OD1-CB 3.27Å; D285-S289 PolarHBondContact OD1-OG 3.06Å; D285-S289 WeakPolarHBondContact OD2-CA 3.42Å; D285-S289 PolarHBondContact OD2-OG 3.19Å; G286-S289 WeakPolarHBondContact O-CB 3.08Å; G286-S289 PolarHBondContact O-N 3.39Å; G286-S289 VanDerWaalsContact O-N 3.08Å; L287-S289 VanDerWaalsContact C-N 3.34Å; S289-F291 PolarHBondContact OG-N 2.94Å; S289-R292 PolarHBondContact OG-N 3Å
290	K	96.6	Very high	96.1	Very high	151 Å²	151	52.6 Å²	52.6	66%	0.657	27%	0.269	S	S	*	.	S	Bend	trans	-82.2	-31.4	176.5	-68.4	-174.8	179.8	179.8	0	111.9	D285 F288	D285-K290 PolarHBondContact OD2-N 3.19Å; F288-K290 PolarHBondContact O-N 3.41Å
291	F	97.5	Very high	96	Very high	16 Å²	16	55.2 Å²	55.2	7%	0.07	29%	0.287	C	S	.	.	S	Bend	trans	-90.6	-13.3	-173.8	-48.4	-72.8	0	0	0	113.2	V129 V250 L253 V283 D285 S289 K293 S294	V129-F291 HydrophobicContact CG1-CE2 4Å; V250-F291 HydrophobicContact CB-CE2 4.35Å; V250-F291 HydrophobicContact CB-CZ 4.07Å; V250-F291 HydrophobicContact CG1-CE1 4.36Å; V250-F291 HydrophobicContact CG1-CE2 4.13Å; V250-F291 HydrophobicContact CG1-CZ 3.6Å; L253-F291 HydrophobicContact CD1-CB 4.23Å; L253-F291 HydrophobicContact CD1-CD1 4.34Å; L253-F291 HydrophobicContact CD1-CG 4.45Å; L253-F291 HydrophobicContact CD2-CD1 4.27Å; L253-F291 HydrophobicContact CD2-CG 4.46Å; L253-F291 HydrophobicContact CG-CD1 3.82Å; L253-F291 HydrophobicContact CG-CE1 4.36Å; L253-F291 HydrophobicContact CG-CG 4.27Å; V283-F291 HydrophobicContact CG1-CB 4.08Å; V283-F291 HydrophobicContact CG1-CD2 3.94Å; V283-F291 HydrophobicContact CG1-CG 4.44Å; V283-F291 HydrophobicContact CG2-CB 4.47Å; D285-F291 WeakPolarHBondContact OD2-CD2 3.49Å; S289-F291 PolarHBondContact OG-N 2.94Å; F291-K293 VanDerWaalsContact C-N 3.26Å; F291-K293 PolarHBondContact O-N 2.85Å; F291-K293 VanDerWaalsContact O-N 3.15Å; F291-S294 PolarHBondContact O-N 3.12Å; F291-S294 VanDerWaalsContact O-N 3.12Å; F291-S294 PolarHBondContact O-OG 3.35Å
292	R	96.9	Very high	95.9	Very high	20 Å²	20	59 Å²	59	8%	0.075	31%	0.31	C	S	.	.	H	α-helix	trans	-48.8	-45.9	179.3	-179.9	-171.2	-65.1	147.4	-3.2	113.4	G286 L287 S289 S294 L295 I296 L393 L405 D408 A409	G286-R292 PolarHBondContact O-NH2 3.08Å; L287-R292 PolarHBondContact O-NH1 3.14Å; L287-R292 PolarHBondContact O-NH2 3Å; S289-R292 PolarHBondContact OG-N 3Å; R292-S294 VanDerWaalsContact C-N 3.26Å; R292-S294 PolarHBondContact O-N 3.47Å; R292-L295 PolarHBondContact O-N 2.76Å; R292-L295 VanDerWaalsContact O-N 3.08Å; R292-I296 HydrophobicContact CG-CD1 3.57Å; R292-I296 HydrophobicContact CG-CG1 3.58Å; R292-I296 WeakPolarHBondContact O-CG1 3.23Å; R292-I296 PolarHBondContact O-N 2.97Å; R292-L393 HydrophobicContact CG-CD2 4.49Å; R292-L393 VanDerWaalsContact NE-CD2 3.28Å; R292-L405 HydrophobicContact CG-CD2 4.36Å; R292-D408 PolarHBondContact NH2-O 2.95Å; R292-A409 PolarHBondContact NE-O 2.61Å
293	K	95.2	Very high	95.8	Very high	198 Å²	198	60.5 Å²	60.5	86%	0.861	32%	0.32	S	S	*	.	H	α-helix	trans	-65.6	-24.9	-174.5	-70.8	-176.5	179.9	177.4	0	113.7	F291	F291-K293 VanDerWaalsContact C-N 3.26Å; F291-K293 PolarHBondContact O-N 2.85Å; F291-K293 VanDerWaalsContact O-N 3.15Å
294	S	94.7	Very high	95.7	Very high	64 Å²	64	60.6 Å²	60.6	45%	0.448	32%	0.321	S	S	.	.	H	α-helix	trans	-85.6	-13.8	176.1	60.1	0	0	0	0	112.9	F291 R292	F291-S294 PolarHBondContact O-N 3.12Å; F291-S294 VanDerWaalsContact O-N 3.12Å; F291-S294 PolarHBondContact O-OG 3.35Å; R292-S294 VanDerWaalsContact C-N 3.26Å; R292-S294 PolarHBondContact O-N 3.47Å
295	L	95.8	Very high	95.7	Very high	13 Å²	13	62.5 Å²	62.5	7%	0.068	33%	0.329	C	S	.	.	H	α-helix	trans	-110.4	-27	-173	-63.7	179.3	0	0	0	114.1	L253 V283 R292 V398 K400 V403 L405	L253-L295 HydrophobicContact CD1-CD1 4.24Å; L253-L295 HydrophobicContact CD1-CD2 4.36Å; V283-L295 HydrophobicContact CG2-CD1 4.11Å; R292-L295 PolarHBondContact O-N 2.76Å; R292-L295 VanDerWaalsContact O-N 3.08Å; L295-V398 HydrophobicContact CB-CG1 4.37Å; L295-K400 HydrophobicContact CD2-CB 4.18Å; L295-K400 HydrophobicContact CD2-CD 4.02Å; L295-V403 HydrophobicContact CD1-CG2 3.92Å; L295-V403 HydrophobicContact CD2-CG1 3.74Å; L295-V403 HydrophobicContact CD2-CG2 4.32Å; L295-L405 HydrophobicContact CB-CD2 4.14Å; L295-L405 HydrophobicContact CD1-CB 4.11Å; L295-L405 HydrophobicContact CD1-CD1 4.19Å; L295-L405 HydrophobicContact CD1-CD2 4.46Å; L295-L405 HydrophobicContact CD1-CG 4.48Å
296	I	94.5	Very high	95.7	Very high	14 Å²	14	60.5 Å²	60.5	7%	0.072	32%	0.318	C	S	.	.			trans	-137.6	151	179.3	62.6	168.4	0	0	0	112.2	R292 L393 V398 L405	R292-I296 HydrophobicContact CG-CD1 3.57Å; R292-I296 HydrophobicContact CG-CG1 3.58Å; R292-I296 WeakPolarHBondContact O-CG1 3.23Å; R292-I296 PolarHBondContact O-N 2.97Å; I296-L393 HydrophobicContact CD1-CD1 4.07Å; I296-L393 HydrophobicContact CD1-CD2 4.02Å; I296-L393 HydrophobicContact CD1-CG 4.39Å; I296-V398 HydrophobicContact CG2-CG2 3.8Å; I296-L405 HydrophobicContact CD1-CD2 4.21Å; I296-L405 HydrophobicContact CG1-CD2 4.19Å; I296-L405 HydrophobicContact CG2-CD2 3.95Å
297	S	88.3	Confident	95.8	Very high	101 Å²	101	59.6 Å²	59.6	71%	0.706	31%	0.308	S	S	*	.			trans	-90.1	-25.4	-178.8	59.1	0	0	0	0	114	K299	S297-K299 PolarHBondContact O-N 3.37Å
298	N	90.3	Very high	95.9	Very high	33 Å²	33	58.5 Å²	58.5	18%	0.176	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-62.4	136	179.3	-74.9	-14.4	0	0	0	110.6	L393 P394 P395	N298-L393 HydrophobicContact CB-CD1 4.02Å; N298-P394 HydrophobicContact CB-CG 4.48Å; N298-P394 PolarHBondContact ND2-O 3.24Å; N298-P394 VanDerWaalsContact ND2-O 3.1Å; N298-P395 PolarHBondContact ND2-O 3Å; N298-P395 VanDerWaalsContact ND2-O 3.15Å
299	K	92.7	Very high	95.9	Very high	184 Å²	184	52 Å²	52	80%	0.8	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-95.1	148.6	179.6	-64.5	-177.3	-178.6	178.9	0	110.7	S297	S297-K299 PolarHBondContact O-N 3.37Å
300	V	96.3	Very high	96	Very high	60 Å²	60	53 Å²	53	36%	0.364	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-72.6	134.7	170.7	-175.1	0	0	0	0	109.1	L393 M412	V300-L393 HydrophobicContact CG2-CD1 4.28Å; V300-L393 HydrophobicContact CG2-CD2 4.5Å; V300-M412 HydrophobicContact CB-CE 4.28Å; V300-M412 HydrophobicContact CG1-CE 3.66Å; V300-M412 HydrophobicContact CG2-CE 3.61Å
301	S	96.6	Very high	96.1	Very high	56 Å²	56	45.9 Å²	45.9	39%	0.392	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.4	165.2	53.2	0	0	0	0	109.1	S391 F392	S301-S391 CarbonylContact O-C 3.57Å; S301-S391 WeakPolarHBondContact O-CA 3.46Å; S301-F392 PolarHBondContact N-O 3.2Å; S301-F392 PolarHBondContact O-N 2.93Å; S301-F392 PolarHBondContact OG-O 3.48Å
302	V	97.1	Very high	96.1	Very high	80 Å²	80	51.6 Å²	51.6	49%	0.485	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118.3	176.2	-179.8	0	0	0	0	107.5	S304 P389	V302-S304 VanDerWaalsContact CG1-O 3.28Å; V302-S304 WeakPolarHBondContact CG1-O 3.21Å; V302-P389 HydrophobicContact CG1-CB 4Å; V302-P389 HydrophobicContact CG2-CB 4.42Å
303	S	95.4	Very high	96.1	Very high	31 Å²	31	57 Å²	57	22%	0.217	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-35.7	-177.8	-56.5	0	0	0	0	112.1	A390 Y474	S303-A390 PolarHBondContact N-O 2.83Å; S303-Y474 PolarHBondContact O-OH 3.41Å
304	S	97.6	Very high	96.3	Very high	3 Å²	3	48 Å²	48	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172	-168.1	-177.6	51.2	0	0	0	0	110.1	V302 D347 V348 A390 H414 Y474	V302-S304 VanDerWaalsContact CG1-O 3.28Å; V302-S304 WeakPolarHBondContact CG1-O 3.21Å; S304-D347 WeakPolarHBondContact CB-OD1 3.16Å; S304-D347 PolarHBondContact OG-OD1 3.14Å; S304-V348 VanDerWaalsContact CB-O 3.3Å; S304-V348 WeakPolarHBondContact CB-O 3.35Å; S304-A390 WeakPolarHBondContact O-CB 3.36Å; S304-A390 PolarHBondContact O-N 3.09Å; S304-A390 WeakPolarHBondContact OG-CB 3.44Å; S304-H414 PolarHBondContact OG-NE2 3.05Å; S304-H414 VanDerWaalsContact OG-NE2 3.11Å; S304-Y474 WeakPolarHBondContact CB-OH 3.35Å; S304-Y474 PolarHBondContact OG-OH 2.66Å
305	H	98.2	Very high	96.4	Very high	48 Å²	48	48.3 Å²	48.3	22%	0.222	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.1	171.2	-59	78.9	0	0	0	110.4	V348 M352 M388	H305-V348 PolarHBondContact N-O 3.15Å; H305-V348 PolarHBondContact O-N 2.91Å; H305-M352 HydrophobicContact CB-CE 4.39Å; H305-M352 HydrophobicContact CB-SD 3.57Å; H305-M352 VanDerWaalsContact CB-SD 3.57Å; H305-M388 CarbonylContact C-O 3.42Å; H305-M388 WeakPolarHBondContact CA-O 3.27Å
306	F	98.1	Very high	96.6	Very high	5 Å²	5	50.3 Å²	50.3	2%	0.022	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.5	165.2	-90.7	-42.3	0	0	0	110.5	L333 L345 V346 D347 S387 M388 P415	F306-L333 HydrophobicContact CE2-CD1 4.27Å; F306-L333 HydrophobicContact CZ-CD1 3.75Å; F306-L333 HydrophobicContact CZ-CG 4.48Å; F306-L345 HydrophobicContact CB-CD2 4.44Å; F306-L345 HydrophobicContact CD1-CB 3.81Å; F306-L345 HydrophobicContact CD2-CD1 4.21Å; F306-L345 HydrophobicContact CE1-CB 4.04Å; F306-L345 HydrophobicContact CE2-CD1 4.34Å; F306-L345 HydrophobicContact CG-CB 4.12Å; F306-V346 WeakPolarHBondContact CA-O 3.39Å; F306-D347 HydrophobicContact CD1-CB 3.94Å; F306-D347 HydrophobicContact CE1-CB 3.65Å; F306-S387 CarbonylContact O-C 3.6Å; F306-S387 VanDerWaalsContact O-CA 3.27Å; F306-S387 WeakPolarHBondContact O-CA 3.44Å; F306-M388 PolarHBondContact N-O 3.05Å; F306-M388 PolarHBondContact O-N 3.08Å; F306-P415 HydrophobicContact CD2-CB 4.03Å; F306-P415 HydrophobicContact CD2-CG 3.47Å; F306-P415 VanDerWaalsContact CD2-CG 3.47Å; F306-P415 HydrophobicContact CE2-CB 3.79Å; F306-P415 HydrophobicContact CE2-CG 3.49Å; F306-P415 VanDerWaalsContact CE2-CG 3.49Å
307	V	98.5	Very high	96.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	113.2	169.5	-172.7	0	0	0	0	108.7	V346 V348 M352 L356 M360 L385 R386	V307-V346 PolarHBondContact N-O 2.92Å; V307-V346 PolarHBondContact O-N 3.29Å; V307-V348 HydrophobicContact CG2-CG2 3.98Å; V307-M352 HydrophobicContact CG2-CE 3.59Å; V307-L356 HydrophobicContact CG1-CD1 4.28Å; V307-L356 HydrophobicContact CG2-CD2 4.05Å; V307-M360 HydrophobicContact CB-CE 3.58Å; V307-M360 HydrophobicContact CG1-CE 3.38Å; V307-M360 HydrophobicContact CG2-CE 4.26Å; V307-L385 HydrophobicContact CG1-CB 4.1Å; V307-L385 HydrophobicContact CG1-CD2 4.11Å; V307-R386 CarbonylContact C-O 3.51Å; V307-R386 VanDerWaalsContact CA-O 3.3Å; V307-R386 WeakPolarHBondContact CA-O 3.3Å
308	G	98.2	Very high	97.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.5	-175.9	0	0	0	0	0	114.1	V344 R386	G308-V344 VanDerWaalsContact CA-O 3.23Å; G308-V344 WeakPolarHBondContact CA-O 3.05Å; G308-R386 PolarHBondContact N-O 3.1Å; G308-R386 PolarHBondContact O-N 3.11Å
309	F	98.4	Very high	97.6	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	174.7	171.5	59.5	-85.3	0	0	0	110.3	R343 V344 V346 M360 F376 A379 T380 L385	F309-R343 PolarHBondContact O-NH1 3.35Å; F309-V344 HydrophobicContact CD1-CB 4.47Å; F309-V344 HydrophobicContact CD2-CB 4.45Å; F309-V344 HydrophobicContact CE1-CB 4.15Å; F309-V344 HydrophobicContact CE1-CG1 3.95Å; F309-V344 HydrophobicContact CE2-CB 4.14Å; F309-V344 HydrophobicContact CE2-CG1 4.46Å; F309-V344 HydrophobicContact CE2-CG2 4.18Å; F309-V344 HydrophobicContact CZ-CB 3.99Å; F309-V344 HydrophobicContact CZ-CG1 3.85Å; F309-V344 HydrophobicContact CZ-CG2 4.37Å; F309-V344 PolarHBondContact N-O 3.46Å; F309-V344 PolarHBondContact O-N 3.44Å; F309-V346 HydrophobicContact CE1-CG2 4.4Å; F309-M360 HydrophobicContact CE1-CE 4.28Å; F309-M360 HydrophobicContact CE1-CG 4.29Å; F309-M360 HydrophobicContact CE1-SD 4.23Å; F309-F376 HydrophobicContact CE1-CE2 4.36Å; F309-F376 HydrophobicContact CE2-CD2 4.24Å; F309-F376 HydrophobicContact CE2-CE2 4.32Å; F309-F376 AromaticContact CZ-CD2 3.86Å; F309-F376 HydrophobicContact CZ-CD2 3.86Å; F309-F376 HydrophobicContact CZ-CE1 4.42Å; F309-F376 AromaticContact CZ-CE2 3.49Å; F309-F376 HydrophobicContact CZ-CE2 3.49Å; F309-F376 VanDerWaalsContact CZ-CE2 3.49Å; F309-F376 HydrophobicContact CZ-CG 4.49Å; F309-F376 AromaticContact CZ-CZ 3.78Å; F309-F376 HydrophobicContact CZ-CZ 3.78Å; F309-A379 HydrophobicContact CD2-CB 3.82Å; F309-A379 HydrophobicContact CE2-CB 3.89Å; F309-T380 HydrophobicContact CE2-CG2 4.34Å; F309-T380 HydrophobicContact CZ-CG2 4.18Å; F309-L385 HydrophobicContact CD1-CG 4.34Å
310	L	98.6	Very high	97.8	Very high	36 Å²	36	49.1 Å²	49.1	19%	0.188	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.4	-176.2	-65.6	176.9	0	0	0	110.5	I337 E341 T342 R343 A379 S383	L310-I337 HydrophobicContact CD2-CD1 3.6Å; L310-I337 HydrophobicContact CD2-CG1 4.32Å; L310-E341 HydrophobicContact CD1-CB 4.47Å; L310-E341 HydrophobicContact CD1-CG 4.48Å; L310-E341 HydrophobicContact CD2-CB 4.45Å; L310-T342 WeakPolarHBondContact CA-O 3.34Å; L310-R343 HydrophobicContact CD2-CB 4.28Å; L310-R343 VanDerWaalsContact CD2-NH1 3.34Å; L310-A379 VanDerWaalsContact O-CB 3.32Å; L310-A379 WeakPolarHBondContact O-CB 3.5Å; L310-S383 PolarHBondContact N-OG 3.17Å
311	M	98.6	Very high	98	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	145.1	162.7	-63.1	-176.5	-55.8	0	0	109.4	A314 I334 E341 T342 V344 L372 P375 F376 A379	M311-A314 HydrophobicContact CB-CB 4.02Å; M311-A314 HydrophobicContact CE-CB 3.88Å; M311-A314 HydrophobicContact SD-CB 4.49Å; M311-I334 HydrophobicContact CE-CG2 3.84Å; M311-E341 WeakPolarHBondContact O-CA 3.45Å; M311-T342 HydrophobicContact CE-CG2 3.64Å; M311-T342 PolarHBondContact N-O 3.03Å; M311-T342 PolarHBondContact O-N 2.98Å; M311-V344 HydrophobicContact CE-CG2 3.51Å; M311-V344 HydrophobicContact CG-CG2 3.77Å; M311-V344 HydrophobicContact SD-CG2 3.71Å; M311-L372 HydrophobicContact CE-CD2 3.96Å; M311-P375 HydrophobicContact CB-CB 4.25Å; M311-P375 HydrophobicContact SD-CB 4.29Å; M311-P375 HydrophobicContact SD-CG 4.33Å; M311-F376 VanDerWaalsContact SD-CA 3.58Å; M311-F376 HydrophobicContact SD-CB 3.82Å; M311-F376 HydrophobicContact SD-CD2 4.4Å; M311-F376 PolarHBondContact SD-N 2.88Å; M311-A379 HydrophobicContact CB-CB 4.48Å; M311-A379 HydrophobicContact CG-CB 3.95Å
312	K	98.3	Very high	98	Very high	137 Å²	137	44.3 Å²	44.3	60%	0.596	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	139	175	-68	-176.1	177.7	179.4	0	110	A314 S340	K312-A314 PolarHBondContact O-N 2.79Å; K312-S340 CarbonylContact C-O 3.47Å; K312-S340 WeakPolarHBondContact CA-O 3.47Å
313	N	97.3	Very high	98.1	Very high	134 Å²	134	40.8 Å²	40.8	72%	0.717	22%	0.216	S	C	*	.	S	Bend	trans	51.2	32.3	173.9	-53.4	-32.8	0	0	0	114	S340	N313-S340 PolarHBondContact N-O 3.19Å
314	A	98.2	Very high	98.3	Very high	9 Å²	9	40 Å²	40	7%	0.074	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-74.9	134	179.5	0	0	0	0	0	110.4	M311 K312 L372 P375	M311-A314 HydrophobicContact CB-CB 4.02Å; M311-A314 HydrophobicContact CE-CB 3.88Å; M311-A314 HydrophobicContact SD-CB 4.49Å; K312-A314 PolarHBondContact O-N 2.79Å; A314-L372 HydrophobicContact CB-CD2 4.03Å; A314-P375 HydrophobicContact CB-CB 4.01Å; A314-P375 HydrophobicContact CB-CG 3.89Å
315	P	98.1	Very high	98.3	Very high	70 Å²	70	39.9 Å²	39.9	46%	0.455	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-71.5	160.9	175.3	32	-35.4	0	0	0	111	H371 L372	P315-H371 HydrophobicContact CG-CB 4.38Å; P315-H371 WeakPolarHBondContact CG-O 3.41Å; P315-L372 VanDerWaalsContact O-CD2 3.3Å; P315-L372 WeakPolarHBondContact O-CD2 3.37Å
316	Q	98.5	Very high	98.3	Very high	54 Å²	54	37.6 Å²	37.6	25%	0.252	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-101.7	141	170.4	-64.5	178.2	-36.2	0	0	109.6	K318	Q316-K318 PolarHBondContact O-N 2.67Å
317	F	98.1	Very high	98.3	Very high	96 Å²	96	37.4 Å²	37.4	42%	0.421	20%	0.197	S	C	.	.	S	Bend	trans	-57.4	-41.8	172.6	-174	-89.2	0	0	0	111.6	M196 H198 E205 E323 H371	M196-F317 HydrophobicContact CE-CD1 3.69Å; M196-F317 HydrophobicContact CE-CE1 3.59Å; M196-F317 HydrophobicContact CG-CB 4.47Å; M196-F317 HydrophobicContact CG-CD1 3.96Å; M196-F317 HydrophobicContact SD-CD1 4.18Å; H198-F317 AromaticContact CE1-CD2 3.88Å; H198-F317 AromaticContact CE1-CG 3.96Å; E205-F317 HydrophobicContact CG-CE1 4.19Å; E205-F317 HydrophobicContact CG-CZ 4.02Å; F317-E323 PolarHBondContact N-OE1 2.86Å; F317-H371 AromaticContact CD2-CE1 3.96Å; F317-H371 PolarHBondContact N-NE2 2.86Å
318	K	98.1	Very high	98.1	Very high	86 Å²	86	40.1 Å²	40.1	37%	0.374	21%	0.212	S	C	.	.	S	Bend	trans	-136.2	131.8	173.1	-174.1	167.9	-173.6	155	0	108.9	M196 Q207 Q316 N320 H321	M196-K318 HydrophobicContact CG-CB 4.25Å; M196-K318 HydrophobicContact SD-CB 4.22Å; M196-K318 HydrophobicContact SD-CD 4.3Å; Q207-K318 HydrophobicContact CG-CD 4.44Å; Q316-K318 PolarHBondContact O-N 2.67Å; K318-N320 PolarHBondContact O-N 3.4Å; K318-H321 HydrophobicContact CB-CB 4.22Å; K318-H321 WeakPolarHBondContact O-CB 3.48Å; K318-H321 PolarHBondContact O-N 3.25Å; K318-H321 VanDerWaalsContact O-N 3.07Å
319	A	98.2	Very high	98	Very high	68 Å²	68	43.3 Å²	43.3	56%	0.562	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	135.3	-179.5	0	0	0	0	0	111.7	H321	A319-H321 PolarHBondContact O-N 3.39Å; A319-H321 PolarHBondContact O-ND1 3.41Å
320	N	98.4	Very high	97.9	Very high	57 Å²	57	43.5 Å²	43.5	31%	0.305	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	25.3	-179.9	-52.8	105.8	0	0	0	114.2	A191 V192 N193 K318	A191-N320 WeakPolarHBondContact O-CB 3.36Å; A191-N320 PolarHBondContact O-ND2 2.9Å; V192-N320 CarbonylContact C-O 3.42Å; V192-N320 WeakPolarHBondContact CA-O 3.34Å; N193-N320 HydrophobicContact CB-CB 4.23Å; N193-N320 PolarHBondContact N-O 2.88Å; K318-N320 PolarHBondContact O-N 3.4Å
321	H	98.6	Very high	97.9	Very high	13 Å²	13	41.8 Å²	41.8	6%	0.06	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.6	172.4	-70.2	58.5	0	0	0	110.1	G194 M196 Q207 K318 A319	G194-H321 VanDerWaalsContact O-CA 3.32Å; G194-H321 WeakPolarHBondContact O-CA 3.01Å; M196-H321 HydrophobicContact CG-CB 4.13Å; Q207-H321 PolarHBondContact NE2-NE2 3.31Å; K318-H321 HydrophobicContact CB-CB 4.22Å; K318-H321 WeakPolarHBondContact O-CB 3.48Å; K318-H321 PolarHBondContact O-N 3.25Å; K318-H321 VanDerWaalsContact O-N 3.07Å; A319-H321 PolarHBondContact O-N 3.39Å; A319-H321 PolarHBondContact O-ND1 3.41Å
322	A	98.6	Very high	97.9	Very high	2 Å²	2	41.8 Å²	41.8	2%	0.017	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	159.8	167.4	0	0	0	0	0	109.7	V192 G194 Y195 M196 I334	V192-A322 HydrophobicContact CG1-CB 4.13Å; G194-A322 PolarHBondContact O-N 3.12Å; Y195-A322 CarbonylContact C-O 3.56Å; Y195-A322 WeakPolarHBondContact CA-O 3.44Å; Y195-A322 HydrophobicContact CD1-CB 3.47Å; Y195-A322 VanDerWaalsContact CD1-CB 3.47Å; Y195-A322 HydrophobicContact CE1-CB 3.47Å; Y195-A322 VanDerWaalsContact CE1-CB 3.47Å; Y195-A322 HydrophobicContact CG-CB 4.39Å; M196-A322 PolarHBondContact N-O 3.12Å; A322-I334 CarbonylContact C-O 3.56Å
323	E	98.8	Very high	97.9	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.028	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.4	-177.2	-53.1	-174.9	-153.9	0	0	110.4	M196 H198 F317 I334 H371 L372	M196-E323 HydrophobicContact CB-CG 4.34Å; M196-E323 CarbonylContact O-C 3.54Å; M196-E323 WeakPolarHBondContact O-CA 3.38Å; H198-E323 IonicContact CD2-OE2 3.97Å; H198-E323 IonicContact NE2-OE2 3.64Å; H198-E323 PolarHBondContact NE2-OE2 2.99Å; F317-E323 PolarHBondContact N-OE1 2.86Å; E323-I334 HydrophobicContact CB-CB 4.24Å; E323-I334 PolarHBondContact N-O 2.83Å; E323-I334 PolarHBondContact O-N 3.36Å; E323-H371 VanDerWaalsContact CD-NE2 3.33Å; E323-H371 IonicContact OE1-CD2 3.83Å; E323-H371 IonicContact OE1-CE1 2.84Å; E323-H371 IonicContact OE1-NE2 2.73Å; E323-H371 PolarHBondContact OE1-NE2 3.32Å; E323-H371 IonicContact OE2-CE1 2.72Å; E323-H371 PolarHBondContact OE2-CE1 2.84Å; E323-H371 IonicContact OE2-NE2 3.9Å; E323-H371 PolarHBondContact OE2-NE2 2.86Å; E323-L372 WeakPolarHBondContact OE2-CD1 3.38Å
324	L	98.6	Very high	97.9	Very high	14 Å²	14	29.7 Å²	29.7	7%	0.073	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.7	169.4	169.3	65.6	0	0	0	107.6	M196 I197 H198 L326 P331 L333 L416 F477	M196-L324 PolarHBondContact O-N 2.95Å; I197-L324 CarbonylContact C-O 3.57Å; I197-L324 WeakPolarHBondContact CA-O 3.21Å; I197-L324 HydrophobicContact CD1-CD2 4.42Å; I197-L324 HydrophobicContact CG1-CB 4.41Å; I197-L324 HydrophobicContact CG1-CD2 4.32Å; I197-L324 HydrophobicContact CG2-CD2 4.43Å; H198-L324 PolarHBondContact N-O 3.18Å; L324-L326 HydrophobicContact CD2-CD2 4.2Å; L324-L326 HydrophobicContact CG-CD2 4.26Å; L324-P331 HydrophobicContact CD1-CB 3.85Å; L324-L333 HydrophobicContact CB-CD2 4.2Å; L324-L333 HydrophobicContact CD1-CD2 3.64Å; L324-L333 HydrophobicContact CD1-CG 4.39Å; L324-L333 HydrophobicContact CG-CD2 4.46Å; L324-L416 HydrophobicContact CD1-CD1 4.07Å; L324-F477 HydrophobicContact CD2-CD2 4.07Å; L324-F477 HydrophobicContact CD2-CE2 3.62Å
325	I	98.7	Very high	98	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	117.8	176.4	-52.8	161.4	0	0	0	107.4	H198 A327 P331 V332 I334 I368 P369	H198-I325 HydrophobicContact CB-CG1 4.45Å; I325-A327 HydrophobicContact CG2-CB 4.2Å; I325-A327 PolarHBondContact O-N 2.74Å; I325-P331 WeakPolarHBondContact O-CA 3.29Å; I325-V332 HydrophobicContact CB-CB 4.22Å; I325-V332 HydrophobicContact CD1-CB 4.3Å; I325-V332 HydrophobicContact CD1-CG1 4.39Å; I325-V332 PolarHBondContact N-O 2.96Å; I325-V332 PolarHBondContact O-N 3.47Å; I325-I334 HydrophobicContact CD1-CD1 3.6Å; I325-I334 HydrophobicContact CD1-CG1 4.38Å; I325-I368 HydrophobicContact CD1-CD1 3.79Å; I325-P369 VanDerWaalsContact CD1-CD 3.42Å; I325-P369 HydrophobicContact CD1-CG 4.15Å; I325-P369 HydrophobicContact CG1-CG 4.22Å
326	L	97.9	Very high	98	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	74.3	167.8	-57.1	-176.1	0	0	0	108	I197 H198 D199 L324 F477 R488 F492	I197-L326 HydrophobicContact CG2-CD1 3.92Å; I197-L326 HydrophobicContact CG2-CD2 4.46Å; I197-L326 HydrophobicContact CG2-CG 3.88Å; H198-L326 PolarHBondContact O-N 2.91Å; D199-L326 HydrophobicContact CB-CD1 4.5Å; L324-L326 HydrophobicContact CD2-CD2 4.2Å; L324-L326 HydrophobicContact CG-CD2 4.26Å; L326-F477 HydrophobicContact CD2-CB 4.31Å; L326-F477 HydrophobicContact CD2-CD1 3.9Å; L326-F477 HydrophobicContact CD2-CD2 3.71Å; L326-F477 HydrophobicContact CD2-CE1 4.06Å; L326-F477 HydrophobicContact CD2-CE2 3.9Å; L326-F477 HydrophobicContact CD2-CG 3.71Å; L326-F477 HydrophobicContact CD2-CZ 4.05Å; L326-R488 PolarHBondContact O-NH2 3.3Å; L326-F492 HydrophobicContact CD1-CB 4.19Å; L326-F492 HydrophobicContact CD1-CD2 4.14Å; L326-F492 HydrophobicContact CD1-CG 4.45Å
327	A	97.4	Very high	98	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.008	14%	0.14	C	C	.	.			trans	-80	172.5	172	0	0	0	0	0	110.9	I325 S330 V332 Q367 R488	I325-A327 HydrophobicContact CG2-CB 4.2Å; I325-A327 PolarHBondContact O-N 2.74Å; A327-S330 CarbonylContact C-O 3.55Å; A327-S330 WeakPolarHBondContact CB-O 3.44Å; A327-V332 HydrophobicContact CB-CG2 4.18Å; A327-Q367 HydrophobicContact CB-CB 4.23Å; A327-R488 PolarHBondContact O-NH1 3.06Å; A327-R488 PolarHBondContact O-NH2 3.33Å
328	N	95	Very high	98	Very high	56 Å²	56	21.3 Å²	21.3	30%	0.299	12%	0.121	S	C	.	.	S	Bend	trans	-117.4	134.2	179.2	-66.6	-64.1	0	0	0	110.8	Q367	N328-Q367 PolarHBondContact O-NE2 2.81Å
329	P	94.8	Very high	98.1	Very high	68 Å²	68	21.1 Å²	21.1	44%	0.442	13%	0.13	S	C	.	.	S	Bend	cis	-83.1	-8.1	-2.2	34.4	-36	0	0	0	114.1	S478	P329-S478 CarbonylContact O-C 3.58Å; P329-S478 WeakPolarHBondContact O-CA 3.49Å
330	S	96.9	Very high	98.1	Very high	5 Å²	5	20.4 Å²	20.4	4%	0.035	12%	0.121	C	C	.	.	S	Bend	trans	-128	153.7	-169	-85.2	0	0	0	0	112.1	A327 D347	A327-S330 CarbonylContact C-O 3.55Å; A327-S330 WeakPolarHBondContact CB-O 3.44Å; S330-D347 WeakPolarHBondContact CB-O 3.46Å; S330-D347 WeakPolarHBondContact CB-OD2 3.3Å; S330-D347 PolarHBondContact OG-OD2 2.94Å
331	P	97.9	Very high	98.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.116	C	C	.	.			trans	-73.6	157.9	-178.4	30.3	-35.4	0	0	0	113.6	L324 I325 D347 L416 F477	L324-P331 HydrophobicContact CD1-CB 3.85Å; I325-P331 WeakPolarHBondContact O-CA 3.29Å; P331-D347 HydrophobicContact CG-CB 4.31Å; P331-D347 WeakPolarHBondContact O-CB 3.26Å; P331-D347 PolarHBondContact O-N 3.38Å; P331-D347 VanDerWaalsContact O-N 3.15Å; P331-L416 HydrophobicContact CB-CD1 4.28Å; P331-L416 HydrophobicContact CG-CD1 3.93Å; P331-F477 HydrophobicContact CB-CB 4.46Å; P331-F477 HydrophobicContact CG-CB 4.25Å
332	V	98.7	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.3	171.2	-177.1	0	0	0	0	109.4	I325 A327 I334 V344 L345 V346 I364 I368	I325-V332 HydrophobicContact CB-CB 4.22Å; I325-V332 HydrophobicContact CD1-CB 4.3Å; I325-V332 HydrophobicContact CD1-CG1 4.39Å; I325-V332 PolarHBondContact N-O 2.96Å; I325-V332 PolarHBondContact O-N 3.47Å; A327-V332 HydrophobicContact CB-CG2 4.18Å; V332-I334 HydrophobicContact CG1-CD1 4.39Å; V332-I334 HydrophobicContact CG1-CG1 4.13Å; V332-V344 HydrophobicContact CG1-CG1 3.86Å; V332-L345 WeakPolarHBondContact CA-O 3.36Å; V332-V346 HydrophobicContact CG1-CG2 3.97Å; V332-V346 HydrophobicContact CG2-CB 4.47Å; V332-V346 HydrophobicContact CG2-CG1 4.3Å; V332-V346 HydrophobicContact CG2-CG2 4.11Å; V332-I364 HydrophobicContact CG2-CG2 4.09Å; V332-I368 HydrophobicContact CG1-CD1 4.5Å
333	L	98.6	Very high	98.1	Very high	13 Å²	13	19.9 Å²	19.9	7%	0.068	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	138.7	174	-68.8	171.6	0	0	0	110.5	F306 L324 Y335 V344 L345 L416	F306-L333 HydrophobicContact CE2-CD1 4.27Å; F306-L333 HydrophobicContact CZ-CD1 3.75Å; F306-L333 HydrophobicContact CZ-CG 4.48Å; L324-L333 HydrophobicContact CB-CD2 4.2Å; L324-L333 HydrophobicContact CD1-CD2 3.64Å; L324-L333 HydrophobicContact CD1-CG 4.39Å; L324-L333 HydrophobicContact CG-CD2 4.46Å; L333-Y335 HydrophobicContact CB-CE1 4.46Å; L333-V344 CarbonylContact O-C 3.58Å; L333-V344 WeakPolarHBondContact O-CA 3.15Å; L333-L345 HydrophobicContact CB-CB 4.23Å; L333-L345 PolarHBondContact N-O 3.34Å; L333-L345 PolarHBondContact O-N 3.33Å; L333-L416 HydrophobicContact CD1-CD1 4.25Å; L333-L416 HydrophobicContact CD2-CD1 4.24Å; L333-L416 HydrophobicContact CG-CD1 4.25Å
334	I	98.8	Very high	98.1	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.5	178	-54	-177	0	0	0	109.1	M311 A322 E323 I325 V332 T342 R343 V344 L372	M311-I334 HydrophobicContact CE-CG2 3.84Å; A322-I334 CarbonylContact C-O 3.56Å; E323-I334 HydrophobicContact CB-CB 4.24Å; E323-I334 PolarHBondContact N-O 2.83Å; E323-I334 PolarHBondContact O-N 3.36Å; I325-I334 HydrophobicContact CD1-CD1 3.6Å; I325-I334 HydrophobicContact CD1-CG1 4.38Å; V332-I334 HydrophobicContact CG1-CD1 4.39Å; V332-I334 HydrophobicContact CG1-CG1 4.13Å; I334-T342 HydrophobicContact CG2-CG2 3.42Å; I334-T342 VanDerWaalsContact CG2-CG2 3.42Å; I334-R343 VanDerWaalsContact CA-O 3.25Å; I334-R343 WeakPolarHBondContact CA-O 3.43Å; I334-V344 HydrophobicContact CD1-CG2 4.45Å; I334-V344 HydrophobicContact CG1-CG1 4.36Å; I334-V344 HydrophobicContact CG1-CG2 4.3Å; I334-L372 HydrophobicContact CD1-CD1 3.49Å; I334-L372 VanDerWaalsContact CD1-CD1 3.49Å; I334-L372 HydrophobicContact CG2-CD1 4.16Å
335	Y	98.8	Very high	98.1	Very high	21 Å²	21	19.4 Å²	19.4	8%	0.082	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	142.7	176.4	50	-96.7	0	0	0	111	E165 F166 A223 L333 I337 R343 L345	E165-Y335 HydrophobicContact CB-CE2 3.86Å; F166-Y335 HydrophobicContact CB-CE2 4.46Å; A223-Y335 HydrophobicContact CB-CD2 4.38Å; L333-Y335 HydrophobicContact CB-CE1 4.46Å; Y335-I337 HydrophobicContact CD2-CG2 3.6Å; Y335-I337 HydrophobicContact CE2-CG2 3.6Å; Y335-R343 HydrophobicContact CD2-CB 3.96Å; Y335-R343 HydrophobicContact CD2-CG 4.45Å; Y335-R343 HydrophobicContact CE1-CG 4.25Å; Y335-R343 HydrophobicContact CE2-CB 3.62Å; Y335-R343 HydrophobicContact CE2-CG 3.72Å; Y335-R343 PolarHBondContact N-O 2.78Å; Y335-R343 PolarHBondContact O-N 3.27Å; Y335-L345 HydrophobicContact CE1-CD1 4.08Å; Y335-L345 WeakPolarHBondContact OH-CD1 3.47Å
336	Q	98.8	Very high	98.1	Very high	30 Å²	30	19.4 Å²	19.4	14%	0.14	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	130.4	-179.3	-165.8	177.9	-8.3	0	0	110.6	Q190 A223 S338 S339 E341	Q190-Q336 HydrophobicContact CG-CB 4.33Å; Q190-Q336 HydrophobicContact CG-CG 4.07Å; A223-Q336 WeakPolarHBondContact CB-O 3.37Å; Q336-S338 WeakPolarHBondContact CG-O 3.23Å; Q336-S338 PolarHBondContact NE2-O 3.23Å; Q336-S339 PolarHBondContact NE2-O 2.9Å; Q336-E341 WeakPolarHBondContact CG-O 3.43Å
337	I	98.7	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.			trans	-114.5	-12.3	-175.5	63.1	167.6	0	0	0	113.7	E165 F224 L310 Y335 E341 R343	E165-I337 HydrophobicContact CB-CG2 4.13Å; F224-I337 WeakPolarHBondContact CA-O 3.31Å; L310-I337 HydrophobicContact CD2-CD1 3.6Å; L310-I337 HydrophobicContact CD2-CG1 4.32Å; Y335-I337 HydrophobicContact CD2-CG2 3.6Å; Y335-I337 HydrophobicContact CE2-CG2 3.6Å; I337-E341 HydrophobicContact CG1-CB 4.18Å; I337-E341 PolarHBondContact N-O 3.48Å; I337-R343 HydrophobicContact CG2-CB 3.97Å
338	S	98.7	Very high	98.1	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	12%	0.115	C	C	.	.	S	Bend	trans	-150.7	172.8	173.6	73.9	0	0	0	0	109.4	D188 Q336 S340 E341	D188-S338 WeakPolarHBondContact OD2-CB 3.24Å; Q336-S338 WeakPolarHBondContact CG-O 3.23Å; Q336-S338 PolarHBondContact NE2-O 3.23Å; S338-S340 PolarHBondContact O-N 3.32Å; S338-S340 PolarHBondContact OG-N 3.09Å; S338-E341 PolarHBondContact N-O 3.49Å; S338-E341 VanDerWaalsContact OG-CB 3.24Å; S338-E341 WeakPolarHBondContact OG-CB 3.18Å; S338-E341 PolarHBondContact OG-N 2.89Å; S338-E341 PolarHBondContact OG-OE2 3.28Å
339	S	98.3	Very high	98.1	Very high	82 Å²	82	22.5 Å²	22.5	57%	0.573	12%	0.122	S	C	*	.	S	Bend	trans	-60	-20	177.8	-69.2	0	0	0	0	113.1	D188 Q336	D188-S339 PolarHBondContact OD1-N 3.4Å; D188-S339 PolarHBondContact OD1-OG 3.01Å; D188-S339 PolarHBondContact OD2-N 3.26Å; D188-S339 PolarHBondContact OD2-OG 3.46Å; Q336-S339 PolarHBondContact NE2-O 2.9Å
340	S	98.1	Very high	98	Very high	53 Å²	53	21.9 Å²	21.9	37%	0.371	13%	0.128	S	C	.	.	S	Bend	trans	-121.1	-13.1	-178.4	56.4	0	0	0	0	115.4	K312 N313 S338	K312-S340 CarbonylContact C-O 3.47Å; K312-S340 WeakPolarHBondContact CA-O 3.47Å; N313-S340 PolarHBondContact N-O 3.19Å; S338-S340 PolarHBondContact O-N 3.32Å; S338-S340 PolarHBondContact OG-N 3.09Å
341	E	98.6	Very high	97.8	Very high	43 Å²	43	29.8 Å²	29.8	20%	0.201	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.2	-172.1	-61.8	159.4	117.7	0	0	112.6	H225 L310 M311 Q336 I337 S338	H225-E341 IonicContact CE1-OE1 3.97Å; H225-E341 IonicContact CE1-OE2 3.95Å; H225-E341 PolarHBondContact CE1-OE2 3.32Å; H225-E341 IonicContact NE2-OE2 3.97Å; H225-E341 PolarHBondContact NE2-OE2 2.92Å; L310-E341 HydrophobicContact CD1-CB 4.47Å; L310-E341 HydrophobicContact CD1-CG 4.48Å; L310-E341 HydrophobicContact CD2-CB 4.45Å; M311-E341 WeakPolarHBondContact O-CA 3.45Å; Q336-E341 WeakPolarHBondContact CG-O 3.43Å; I337-E341 HydrophobicContact CG1-CB 4.18Å; I337-E341 PolarHBondContact N-O 3.48Å; S338-E341 PolarHBondContact N-O 3.49Å; S338-E341 VanDerWaalsContact OG-CB 3.24Å; S338-E341 WeakPolarHBondContact OG-CB 3.18Å; S338-E341 PolarHBondContact OG-N 2.89Å; S338-E341 PolarHBondContact OG-OE2 3.28Å
342	T	98.8	Very high	97.7	Very high	6 Å²	6	32.3 Å²	32.3	4%	0.037	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.2	177.1	-63.6	0	0	0	0	110.3	L310 M311 I334	L310-T342 WeakPolarHBondContact CA-O 3.34Å; M311-T342 HydrophobicContact CE-CG2 3.64Å; M311-T342 PolarHBondContact N-O 3.03Å; M311-T342 PolarHBondContact O-N 2.98Å; I334-T342 HydrophobicContact CG2-CG2 3.42Å; I334-T342 VanDerWaalsContact CG2-CG2 3.42Å
343	R	98.8	Very high	97.6	Very high	12 Å²	12	34 Å²	34	5%	0.045	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134	176.2	173.4	61.4	67.5	-150.9	-1.9	109.8	E165 F309 L310 I334 Y335 I337 L345	E165-R343 IonicContact OE1-CZ 3.88Å; E165-R343 IonicContact OE1-NE 3.96Å; E165-R343 IonicContact OE1-NH2 3.68Å; E165-R343 PolarHBondContact OE1-NH2 2.76Å; E165-R343 WeakPolarHBondContact OE2-CG 3.19Å; E165-R343 IonicContact OE2-CZ 2.74Å; E165-R343 IonicContact OE2-NE 2.64Å; E165-R343 PolarHBondContact OE2-NE 3.37Å; E165-R343 IonicContact OE2-NH2 3.58Å; E165-R343 PolarHBondContact OE2-NH2 2.86Å; F309-R343 PolarHBondContact O-NH1 3.35Å; L310-R343 HydrophobicContact CD2-CB 4.28Å; L310-R343 VanDerWaalsContact CD2-NH1 3.34Å; I334-R343 VanDerWaalsContact CA-O 3.25Å; I334-R343 WeakPolarHBondContact CA-O 3.43Å; Y335-R343 HydrophobicContact CD2-CB 3.96Å; Y335-R343 HydrophobicContact CD2-CG 4.45Å; Y335-R343 HydrophobicContact CE1-CG 4.25Å; Y335-R343 HydrophobicContact CE2-CB 3.62Å; Y335-R343 HydrophobicContact CE2-CG 3.72Å; Y335-R343 PolarHBondContact N-O 2.78Å; Y335-R343 PolarHBondContact O-N 3.27Å; I337-R343 HydrophobicContact CG2-CB 3.97Å; R343-L345 HydrophobicContact CG-CD2 4.2Å; R343-L345 HydrophobicContact CG-CG 3.94Å
344	V	98.8	Very high	97.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134	163.4	-177.7	0	0	0	0	108.1	G308 F309 M311 V332 L333 I334 V346 F376	G308-V344 VanDerWaalsContact CA-O 3.23Å; G308-V344 WeakPolarHBondContact CA-O 3.05Å; F309-V344 HydrophobicContact CD1-CB 4.47Å; F309-V344 HydrophobicContact CD2-CB 4.45Å; F309-V344 HydrophobicContact CE1-CB 4.15Å; F309-V344 HydrophobicContact CE1-CG1 3.95Å; F309-V344 HydrophobicContact CE2-CB 4.14Å; F309-V344 HydrophobicContact CE2-CG1 4.46Å; F309-V344 HydrophobicContact CE2-CG2 4.18Å; F309-V344 HydrophobicContact CZ-CB 3.99Å; F309-V344 HydrophobicContact CZ-CG1 3.85Å; F309-V344 HydrophobicContact CZ-CG2 4.37Å; F309-V344 PolarHBondContact N-O 3.46Å; F309-V344 PolarHBondContact O-N 3.44Å; M311-V344 HydrophobicContact CE-CG2 3.51Å; M311-V344 HydrophobicContact CG-CG2 3.77Å; M311-V344 HydrophobicContact SD-CG2 3.71Å; V332-V344 HydrophobicContact CG1-CG1 3.86Å; L333-V344 CarbonylContact O-C 3.58Å; L333-V344 WeakPolarHBondContact O-CA 3.15Å; I334-V344 HydrophobicContact CD1-CG2 4.45Å; I334-V344 HydrophobicContact CG1-CG1 4.36Å; I334-V344 HydrophobicContact CG1-CG2 4.3Å; V344-V346 HydrophobicContact CG1-CG2 4.02Å; V344-F376 HydrophobicContact CG1-CD2 4.33Å; V344-F376 HydrophobicContact CG1-CE2 3.96Å; V344-F376 HydrophobicContact CG2-CD2 4.46Å
345	L	98.7	Very high	97.3	Very high	11 Å²	11	48.6 Å²	48.6	6%	0.058	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	110.5	169.7	-62.2	176.3	0	0	0	109.2	I162 F306 V332 L333 Y335 R343	I162-L345 HydrophobicContact CD1-CD2 4.43Å; F306-L345 HydrophobicContact CB-CD2 4.44Å; F306-L345 HydrophobicContact CD1-CB 3.81Å; F306-L345 HydrophobicContact CD2-CD1 4.21Å; F306-L345 HydrophobicContact CE1-CB 4.04Å; F306-L345 HydrophobicContact CE2-CD1 4.34Å; F306-L345 HydrophobicContact CG-CB 4.12Å; V332-L345 WeakPolarHBondContact CA-O 3.36Å; L333-L345 HydrophobicContact CB-CB 4.23Å; L333-L345 PolarHBondContact N-O 3.34Å; L333-L345 PolarHBondContact O-N 3.33Å; Y335-L345 HydrophobicContact CE1-CD1 4.08Å; Y335-L345 WeakPolarHBondContact OH-CD1 3.47Å; R343-L345 HydrophobicContact CG-CD2 4.2Å; R343-L345 HydrophobicContact CG-CG 3.94Å
346	V	98.6	Very high	97.2	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.2	175.4	177.8	0	0	0	0	108.7	F306 V307 F309 V332 V344 V348 Y359 M360 I364	F306-V346 WeakPolarHBondContact CA-O 3.39Å; V307-V346 PolarHBondContact N-O 2.92Å; V307-V346 PolarHBondContact O-N 3.29Å; F309-V346 HydrophobicContact CE1-CG2 4.4Å; V332-V346 HydrophobicContact CG1-CG2 3.97Å; V332-V346 HydrophobicContact CG2-CB 4.47Å; V332-V346 HydrophobicContact CG2-CG1 4.3Å; V332-V346 HydrophobicContact CG2-CG2 4.11Å; V344-V346 HydrophobicContact CG1-CG2 4.02Å; V346-V348 HydrophobicContact CG1-CG2 4.36Å; V346-Y359 HydrophobicContact CG1-CE1 4.32Å; V346-M360 HydrophobicContact CB-CE 3.91Å; V346-M360 HydrophobicContact CB-SD 4.1Å; V346-M360 HydrophobicContact CG1-CE 4.22Å; V346-M360 HydrophobicContact CG1-SD 4.13Å; V346-M360 HydrophobicContact CG2-CE 4.03Å; V346-M360 HydrophobicContact CG2-SD 3.73Å; V346-I364 HydrophobicContact CG1-CD1 3.74Å; V346-I364 HydrophobicContact CG1-CG1 3.84Å; V346-I364 HydrophobicContact CG2-CG2 4.07Å
347	D	98.4	Very high	97	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	134	172.9	178.7	80.7	0	0	0	110.9	S304 F306 S330 P331 H414 Y474	S304-D347 WeakPolarHBondContact CB-OD1 3.16Å; S304-D347 PolarHBondContact OG-OD1 3.14Å; F306-D347 HydrophobicContact CD1-CB 3.94Å; F306-D347 HydrophobicContact CE1-CB 3.65Å; S330-D347 WeakPolarHBondContact CB-O 3.46Å; S330-D347 WeakPolarHBondContact CB-OD2 3.3Å; S330-D347 PolarHBondContact OG-OD2 2.94Å; P331-D347 HydrophobicContact CG-CB 4.31Å; P331-D347 WeakPolarHBondContact O-CB 3.26Å; P331-D347 PolarHBondContact O-N 3.38Å; P331-D347 VanDerWaalsContact O-N 3.15Å; D347-H414 IonicContact OD1-CE1 3.69Å; D347-H414 IonicContact OD1-NE2 2.82Å; D347-Y474 WeakPolarHBondContact OD2-CE2 3.43Å
348	V	97.9	Very high	97	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.03	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	109.1	175.8	-177.5	0	0	0	0	108.7	S304 H305 V307 V346 M352 Y359	S304-V348 VanDerWaalsContact CB-O 3.3Å; S304-V348 WeakPolarHBondContact CB-O 3.35Å; H305-V348 PolarHBondContact N-O 3.15Å; H305-V348 PolarHBondContact O-N 2.91Å; V307-V348 HydrophobicContact CG2-CG2 3.98Å; V346-V348 HydrophobicContact CG1-CG2 4.36Å; V348-M352 HydrophobicContact CB-CE 4.41Å; V348-M352 HydrophobicContact CB-SD 3.89Å; V348-M352 HydrophobicContact CG1-CE 4.49Å; V348-M352 HydrophobicContact CG1-SD 3.79Å; V348-Y359 HydrophobicContact CG2-CE1 3.89Å
349	R	94.8	Very high	96.9	Very high	116 Å²	116	60.2 Å²	60.2	44%	0.438	30%	0.297	S	S	.	.			trans	-86.1	141.4	176.4	-169.8	175.3	-179.8	117.4	1.1	111.1	Y474 S478	R349-Y474 PolarHBondContact NH1-OH 2.84Å; R349-S478 PolarHBondContact NH1-OG 3.33Å
350	G	92.9	Very high	96.9	Very high	55 Å²	55	56.3 Å²	56.3	57%	0.567	27%	0.269	S	S	*	.	S	Bend	trans	81.6	-142.2	176.9	0	0	0	0	0	113.5
351	E	92.8	Very high	96.9	Very high	171 Å²	171	56.5 Å²	56.5	80%	0.799	27%	0.268	S	S	*	.	S	Bend	trans	-71	131.6	-179.3	-168.4	-179.8	171.9	0	0	110.7
352	M	96.1	Very high	96.9	Very high	53 Å²	53	59.5 Å²	59.5	26%	0.261	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-69.1	134.9	178.5	-72.1	-61.3	-63.1	0	0	110.8	H305 V307 V348 L356	H305-M352 HydrophobicContact CB-CE 4.39Å; H305-M352 HydrophobicContact CB-SD 3.57Å; H305-M352 VanDerWaalsContact CB-SD 3.57Å; V307-M352 HydrophobicContact CG2-CE 3.59Å; V348-M352 HydrophobicContact CB-CE 4.41Å; V348-M352 HydrophobicContact CB-SD 3.89Å; V348-M352 HydrophobicContact CG1-CE 4.49Å; V348-M352 HydrophobicContact CG1-SD 3.79Å; M352-L356 HydrophobicContact CE-CD2 3.57Å
353	P	95.6	Very high	96.8	Very high	35 Å²	35	64.6 Å²	64.6	23%	0.227	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-64.6	140	175.6	26.1	-32.4	0	0	0	110.2	N355 L356 Y359	P353-N355 VanDerWaalsContact C-N 3.31Å; P353-N355 PolarHBondContact O-N 3.29Å; P353-L356 HydrophobicContact CG-CD2 3.72Å; P353-Y359 HydrophobicContact CB-CD2 4.15Å; P353-Y359 HydrophobicContact CB-CG 4.21Å; P353-Y359 HydrophobicContact CG-CD1 4.19Å; P353-Y359 HydrophobicContact CG-CD2 3.95Å; P353-Y359 HydrophobicContact CG-CG 3.72Å
354	R	94.3	Very high	96.8	Very high	250 Å²	250	64.1 Å²	64.1	94%	0.943	30%	0.302	S	S	*	.	S	Bend	trans	-62.3	-39.6	-179.3	-64.3	-178.6	-176.8	178	0.8	112
355	N	96.3	Very high	96.8	Very high	74 Å²	74	67.4 Å²	67.4	40%	0.396	32%	0.315	S	S	.	.			trans	-112.2	98.1	176.6	-171.5	-10.6	0	0	0	110.1	P353 R357 E358 Y359	P353-N355 VanDerWaalsContact C-N 3.31Å; P353-N355 PolarHBondContact O-N 3.29Å; N355-R357 VanDerWaalsContact C-N 3.32Å; N355-R357 PolarHBondContact O-N 2.98Å; N355-R357 PolarHBondContact OD1-N 3.13Å; N355-E358 HydrophobicContact CB-CB 3.98Å; N355-E358 WeakPolarHBondContact CB-OE2 3.4Å; N355-E358 VanDerWaalsContact CG-CB 3.5Å; N355-E358 WeakPolarHBondContact ND2-CB 3.19Å; N355-E358 PolarHBondContact ND2-OE2 2.85Å; N355-E358 PolarHBondContact OD1-N 2.79Å; N355-Y359 PolarHBondContact O-N 2.93Å; N355-Y359 VanDerWaalsContact O-N 3.12Å
356	L	96.3	Very high	96.7	Very high	41 Å²	41	70.4 Å²	70.4	22%	0.215	34%	0.335	C	S	.	.	H	α-helix	trans	-65.9	-34.6	-178.7	-67	170.4	0	0	0	112.4	V307 M352 P353 Y359 M360 L385	V307-L356 HydrophobicContact CG1-CD1 4.28Å; V307-L356 HydrophobicContact CG2-CD2 4.05Å; M352-L356 HydrophobicContact CE-CD2 3.57Å; P353-L356 HydrophobicContact CG-CD2 3.72Å; L356-Y359 PolarHBondContact O-N 2.82Å; L356-M360 VanDerWaalsContact O-CG 3.3Å; L356-M360 WeakPolarHBondContact O-CG 3.34Å; L356-M360 PolarHBondContact O-N 3.15Å; L356-L385 HydrophobicContact CB-CD2 3.74Å; L356-L385 HydrophobicContact CD1-CB 4.45Å
357	R	96.3	Very high	96.7	Very high	115 Å²	115	71.6 Å²	71.6	43%	0.434	34%	0.341	S	S	.	.	H	α-helix	trans	-66.9	-48.8	-177.5	-68.5	171	179.1	-110.6	5	110.7	N355 Y359 M360 V361 T380 E381 L385	N355-R357 VanDerWaalsContact C-N 3.32Å; N355-R357 PolarHBondContact O-N 2.98Å; N355-R357 PolarHBondContact OD1-N 3.13Å; R357-Y359 VanDerWaalsContact C-N 3.31Å; R357-Y359 PolarHBondContact O-N 2.75Å; R357-M360 WeakPolarHBondContact O-CB 3.33Å; R357-M360 PolarHBondContact O-N 2.69Å; R357-M360 VanDerWaalsContact O-N 3.1Å; R357-V361 WeakPolarHBondContact O-CG2 3.46Å; R357-V361 PolarHBondContact O-N 2.94Å; R357-T380 PolarHBondContact NH1-O 2.92Å; R357-E381 PolarHBondContact NH1-O 2.9Å; R357-L385 HydrophobicContact CG-CD1 3.88Å
358	E	97.2	Very high	96.7	Very high	95 Å²	95	71.8 Å²	71.8	44%	0.444	34%	0.341	S	S	.	.	H	α-helix	trans	-57.9	-43.4	173.9	-176.7	179.8	173.2	0	0	111.5	N355 M360 V361 E362	N355-E358 HydrophobicContact CB-CB 3.98Å; N355-E358 WeakPolarHBondContact CB-OE2 3.4Å; N355-E358 VanDerWaalsContact CG-CB 3.5Å; N355-E358 WeakPolarHBondContact ND2-CB 3.19Å; N355-E358 PolarHBondContact ND2-OE2 2.85Å; N355-E358 PolarHBondContact OD1-N 2.79Å; E358-M360 VanDerWaalsContact C-N 3.35Å; E358-M360 PolarHBondContact O-N 2.93Å; E358-V361 PolarHBondContact O-N 2.77Å; E358-E362 HydrophobicContact CG-CG 4.23Å; E358-E362 WeakPolarHBondContact O-CB 3.4Å; E358-E362 WeakPolarHBondContact O-CG 3.27Å; E358-E362 PolarHBondContact O-N 3.47Å
359	Y	97.8	Very high	96.7	Very high	45 Å²	45	72.7 Å²	72.7	18%	0.176	35%	0.347	C	S	.	.	H	α-helix	trans	-58.8	-43.2	173.7	-178.6	-95.8	0	0	0	112.8	V346 V348 P353 N355 L356 R357 K363 I364	V346-Y359 HydrophobicContact CG1-CE1 4.32Å; V348-Y359 HydrophobicContact CG2-CE1 3.89Å; P353-Y359 HydrophobicContact CB-CD2 4.15Å; P353-Y359 HydrophobicContact CB-CG 4.21Å; P353-Y359 HydrophobicContact CG-CD1 4.19Å; P353-Y359 HydrophobicContact CG-CD2 3.95Å; P353-Y359 HydrophobicContact CG-CG 3.72Å; N355-Y359 PolarHBondContact O-N 2.93Å; N355-Y359 VanDerWaalsContact O-N 3.12Å; L356-Y359 PolarHBondContact O-N 2.82Å; R357-Y359 VanDerWaalsContact C-N 3.31Å; R357-Y359 PolarHBondContact O-N 2.75Å; Y359-K363 HydrophobicContact CD2-CB 4.08Å; Y359-K363 HydrophobicContact CD2-CG 3.76Å; Y359-K363 HydrophobicContact CE2-CB 3.97Å; Y359-K363 HydrophobicContact CE2-CG 3.9Å; Y359-K363 HydrophobicContact CG-CG 4.49Å; Y359-K363 WeakPolarHBondContact O-CA 3.49Å; Y359-K363 VanDerWaalsContact O-CB 3.31Å; Y359-K363 WeakPolarHBondContact O-CB 3.45Å; Y359-K363 PolarHBondContact O-N 2.76Å; Y359-I364 HydrophobicContact CD1-CG1 4.03Å; Y359-I364 HydrophobicContact CE1-CD1 3.74Å; Y359-I364 HydrophobicContact CE1-CG1 3.69Å; Y359-I364 PolarHBondContact O-N 3.15Å
360	M	98.2	Very high	96.8	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	36%	0.359	C	S	.	.	I	π-helix	trans	-63	-43.7	176.5	-64.6	-46.8	168.9	0	0	112.1	V307 F309 V346 L356 R357 E358 I364 Y365 F376 T380 L385	V307-M360 HydrophobicContact CB-CE 3.58Å; V307-M360 HydrophobicContact CG1-CE 3.38Å; V307-M360 HydrophobicContact CG2-CE 4.26Å; F309-M360 HydrophobicContact CE1-CE 4.28Å; F309-M360 HydrophobicContact CE1-CG 4.29Å; F309-M360 HydrophobicContact CE1-SD 4.23Å; V346-M360 HydrophobicContact CB-CE 3.91Å; V346-M360 HydrophobicContact CB-SD 4.1Å; V346-M360 HydrophobicContact CG1-CE 4.22Å; V346-M360 HydrophobicContact CG1-SD 4.13Å; V346-M360 HydrophobicContact CG2-CE 4.03Å; V346-M360 HydrophobicContact CG2-SD 3.73Å; L356-M360 VanDerWaalsContact O-CG 3.3Å; L356-M360 WeakPolarHBondContact O-CG 3.34Å; L356-M360 PolarHBondContact O-N 3.15Å; R357-M360 WeakPolarHBondContact O-CB 3.33Å; R357-M360 PolarHBondContact O-N 2.69Å; R357-M360 VanDerWaalsContact O-N 3.1Å; E358-M360 VanDerWaalsContact C-N 3.35Å; E358-M360 PolarHBondContact O-N 2.93Å; M360-I364 CarbonylContact O-C 3.12Å; M360-I364 WeakPolarHBondContact O-CB 3.18Å; M360-I364 PolarHBondContact O-N 2.88Å; M360-I364 HydrophobicContact SD-CB 4.36Å; M360-I364 HydrophobicContact SD-CG1 3.96Å; M360-Y365 WeakPolarHBondContact O-CB 3.37Å; M360-Y365 PolarHBondContact O-N 3.16Å; M360-F376 HydrophobicContact CB-CE1 4.17Å; M360-F376 HydrophobicContact CB-CZ 4.21Å; M360-F376 HydrophobicContact SD-CZ 4.5Å; M360-T380 HydrophobicContact CB-CG2 3.56Å; M360-T380 HydrophobicContact CG-CG2 4.18Å; M360-L385 HydrophobicContact CE-CD2 3.99Å; M360-L385 HydrophobicContact CG-CD2 3.77Å
361	V	98	Very high	97.1	Very high	57 Å²	57	73.1 Å²	73.1	35%	0.345	34%	0.344	S	S	.	.	I	π-helix	trans	-73.6	-43.3	-177.1	174.8	0	0	0	0	112	R357 E358 Y365 L377	R357-V361 WeakPolarHBondContact O-CG2 3.46Å; R357-V361 PolarHBondContact O-N 2.94Å; E358-V361 PolarHBondContact O-N 2.77Å; V361-Y365 WeakPolarHBondContact O-CB 3.44Å; V361-L377 HydrophobicContact CG1-CD1 4.39Å; V361-L377 HydrophobicContact CG2-CD1 4.04Å
362	E	97.8	Very high	97.3	Very high	107 Å²	107	65 Å²	65	50%	0.5	31%	0.306	S	S	.	.	I	π-helix	trans	-85.3	-37.4	-174.1	-65.9	-166.1	168	0	0	113.5	E358	E358-E362 HydrophobicContact CG-CG 4.23Å; E358-E362 WeakPolarHBondContact O-CB 3.4Å; E358-E362 WeakPolarHBondContact O-CG 3.27Å; E358-E362 PolarHBondContact O-N 3.47Å
363	K	97.4	Very high	97.4	Very high	112 Å²	112	65 Å²	65	49%	0.487	31%	0.305	S	S	.	.	I	π-helix	trans	-102.8	-38.8	-171.7	-52.8	-54.8	177.6	-160.6	0	112.4	Y359 Q367	Y359-K363 HydrophobicContact CD2-CB 4.08Å; Y359-K363 HydrophobicContact CD2-CG 3.76Å; Y359-K363 HydrophobicContact CE2-CB 3.97Å; Y359-K363 HydrophobicContact CE2-CG 3.9Å; Y359-K363 HydrophobicContact CG-CG 4.49Å; Y359-K363 WeakPolarHBondContact O-CA 3.49Å; Y359-K363 VanDerWaalsContact O-CB 3.31Å; Y359-K363 WeakPolarHBondContact O-CB 3.45Å; Y359-K363 PolarHBondContact O-N 2.76Å; K363-Q367 WeakPolarHBondContact O-CG 3.3Å; K363-Q367 PolarHBondContact O-NE2 2.88Å
364	I	98.3	Very high	97.6	Very high	3 Å²	3	71 Å²	71	2%	0.015	33%	0.33	C	S	.	.	I	π-helix	trans	-94.6	-49.1	-171.7	-54.4	-59.4	0	0	0	112.2	V332 V346 Y359 M360 P366 Q367 I368 F376	V332-I364 HydrophobicContact CG2-CG2 4.09Å; V346-I364 HydrophobicContact CG1-CD1 3.74Å; V346-I364 HydrophobicContact CG1-CG1 3.84Å; V346-I364 HydrophobicContact CG2-CG2 4.07Å; Y359-I364 HydrophobicContact CD1-CG1 4.03Å; Y359-I364 HydrophobicContact CE1-CD1 3.74Å; Y359-I364 HydrophobicContact CE1-CG1 3.69Å; Y359-I364 PolarHBondContact O-N 3.15Å; M360-I364 CarbonylContact O-C 3.12Å; M360-I364 WeakPolarHBondContact O-CB 3.18Å; M360-I364 PolarHBondContact O-N 2.88Å; M360-I364 HydrophobicContact SD-CB 4.36Å; M360-I364 HydrophobicContact SD-CG1 3.96Å; I364-P366 VanDerWaalsContact C-CD 3.42Å; I364-P366 VanDerWaalsContact C-N 3.35Å; I364-Q367 WeakPolarHBondContact O-CA 3.42Å; I364-Q367 WeakPolarHBondContact O-CB 3.37Å; I364-Q367 PolarHBondContact O-N 2.74Å; I364-I368 HydrophobicContact CG2-CD1 3.87Å; I364-I368 HydrophobicContact CG2-CG1 4.25Å; I364-I368 PolarHBondContact O-N 2.83Å; I364-F376 HydrophobicContact CB-CZ 4.06Å; I364-F376 HydrophobicContact CG2-CE2 4.04Å; I364-F376 HydrophobicContact CG2-CZ 3.58Å
365	Y	98.3	Very high	97.8	Very high	69 Å²	69	59.8 Å²	59.8	27%	0.271	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-50.5	-41.8	-177.6	168.7	-99.3	0	0	0	114.4	M360 V361 Q367 I368 K373 F376 L377	M360-Y365 WeakPolarHBondContact O-CB 3.37Å; M360-Y365 PolarHBondContact O-N 3.16Å; V361-Y365 WeakPolarHBondContact O-CB 3.44Å; Y365-Q367 PolarHBondContact O-N 3.28Å; Y365-I368 PolarHBondContact O-N 2.71Å; Y365-I368 VanDerWaalsContact O-N 3.13Å; Y365-K373 HydrophobicContact CD2-CB 4.5Å; Y365-K373 HydrophobicContact CD2-CG 4.4Å; Y365-K373 HydrophobicContact CE2-CB 3.69Å; Y365-K373 HydrophobicContact CE2-CD 4.35Å; Y365-K373 HydrophobicContact CE2-CG 3.88Å; Y365-K373 WeakPolarHBondContact CE2-O 3.46Å; Y365-F376 HydrophobicContact CD2-CD1 4.05Å; Y365-L377 HydrophobicContact CD2-CB 4.18Å; Y365-L377 HydrophobicContact CE2-CB 3.92Å; Y365-L377 HydrophobicContact CE2-CD2 4.34Å
366	P	98	Very high	97.9	Very high	73 Å²	73	56.3 Å²	56.3	47%	0.474	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-61.7	-18	176.1	-23.7	35.3	0	0	0	114.4	I364	I364-P366 VanDerWaalsContact C-CD 3.42Å; I364-P366 VanDerWaalsContact C-N 3.35Å
367	Q	98.1	Very high	97.9	Very high	27 Å²	27	57 Å²	57	13%	0.126	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-100.7	-6.4	-178.2	-38.5	-168.2	43.9	0	0	113.3	Q200 A327 N328 K363 I364 Y365	Q200-Q367 HydrophobicContact CG-CB 4.4Å; Q200-Q367 VanDerWaalsContact NE2-CA 3.31Å; Q200-Q367 VanDerWaalsContact NE2-CB 3.3Å; Q200-Q367 VanDerWaalsContact NE2-CG 3.26Å; A327-Q367 HydrophobicContact CB-CB 4.23Å; N328-Q367 PolarHBondContact O-NE2 2.81Å; K363-Q367 WeakPolarHBondContact O-CG 3.3Å; K363-Q367 PolarHBondContact O-NE2 2.88Å; I364-Q367 WeakPolarHBondContact O-CA 3.42Å; I364-Q367 WeakPolarHBondContact O-CB 3.37Å; I364-Q367 PolarHBondContact O-N 2.74Å; Y365-Q367 PolarHBondContact O-N 3.28Å
368	I	98.3	Very high	98	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	28%	0.275	C	S	.	.	S	Bend	trans	-75.7	135.6	178	-61.4	-56.8	0	0	0	109.7	I325 V332 I364 Y365 L372 K373 F376	I325-I368 HydrophobicContact CD1-CD1 3.79Å; V332-I368 HydrophobicContact CG1-CD1 4.5Å; I364-I368 HydrophobicContact CG2-CD1 3.87Å; I364-I368 HydrophobicContact CG2-CG1 4.25Å; I364-I368 PolarHBondContact O-N 2.83Å; Y365-I368 PolarHBondContact O-N 2.71Å; Y365-I368 VanDerWaalsContact O-N 3.13Å; I368-L372 HydrophobicContact CG2-CB 3.58Å; I368-K373 HydrophobicContact CB-CG 4.33Å; I368-K373 HydrophobicContact CG2-CG 4.35Å; I368-K373 WeakPolarHBondContact O-CE 3.45Å; I368-F376 HydrophobicContact CD1-CD2 3.95Å; I368-F376 HydrophobicContact CD1-CE2 3.71Å; I368-F376 HydrophobicContact CD1-CZ 4.31Å; I368-F376 HydrophobicContact CG1-CD1 4.31Å; I368-F376 HydrophobicContact CG1-CD2 3.83Å; I368-F376 HydrophobicContact CG1-CE1 4.34Å; I368-F376 HydrophobicContact CG1-CE2 3.82Å; I368-F376 HydrophobicContact CG1-CG 4.07Å; I368-F376 HydrophobicContact CG1-CZ 4.11Å; I368-F376 HydrophobicContact CG2-CB 4.4Å
369	P	97.8	Very high	98	Very high	24 Å²	24	52 Å²	52	16%	0.156	26%	0.257	C	S	.	.			trans	-54.9	148	172.9	-28.3	36.1	0	0	0	113.1	H198 I325 H371 L372 K373	H198-P369 HydrophobicContact CB-CG 4.41Å; I325-P369 VanDerWaalsContact CD1-CD 3.42Å; I325-P369 HydrophobicContact CD1-CG 4.15Å; I325-P369 HydrophobicContact CG1-CG 4.22Å; P369-H371 VanDerWaalsContact C-N 3.26Å; P369-H371 VanDerWaalsContact CB-CE1 3.49Å; P369-H371 WeakPolarHBondContact CB-CE1 3.48Å; P369-H371 WeakPolarHBondContact CB-ND1 3.08Å; P369-H371 PolarHBondContact O-N 2.92Å; P369-H371 VanDerWaalsContact O-N 3.15Å; P369-L372 PolarHBondContact O-N 3.01Å; P369-K373 PolarHBondContact O-N 3.41Å
370	D	97.8	Very high	97.9	Very high	129 Å²	129	50 Å²	50	69%	0.69	25%	0.249	S	C	*	.	H	α-helix	trans	-58.9	-34.2	-170.1	-67.4	-30.2	0	0	0	113.5	L372 K373	D370-L372 PolarHBondContact O-N 2.78Å; D370-K373 PolarHBondContact O-N 3.39Å; D370-K373 WeakPolarHBondContact OD1-CE 3.46Å; D370-K373 IonicContact OD1-NZ 3.38Å; D370-K373 PolarHBondContact OD1-NZ 3.26Å
371	H	98	Very high	97.6	Very high	51 Å²	51	55.9 Å²	55.9	24%	0.236	28%	0.277	C	S	.	.	H	α-helix	trans	-67.6	-14.4	178.7	70.4	-72	0	0	0	114.1	P315 F317 E323 P369	P315-H371 HydrophobicContact CG-CB 4.38Å; P315-H371 WeakPolarHBondContact CG-O 3.41Å; F317-H371 AromaticContact CD2-CE1 3.96Å; F317-H371 PolarHBondContact N-NE2 2.86Å; E323-H371 VanDerWaalsContact CD-NE2 3.33Å; E323-H371 IonicContact OE1-CD2 3.83Å; E323-H371 IonicContact OE1-CE1 2.84Å; E323-H371 IonicContact OE1-NE2 2.73Å; E323-H371 PolarHBondContact OE1-NE2 3.32Å; E323-H371 IonicContact OE2-CE1 2.72Å; E323-H371 PolarHBondContact OE2-CE1 2.84Å; E323-H371 IonicContact OE2-NE2 3.9Å; E323-H371 PolarHBondContact OE2-NE2 2.86Å; P369-H371 VanDerWaalsContact C-N 3.26Å; P369-H371 VanDerWaalsContact CB-CE1 3.49Å; P369-H371 WeakPolarHBondContact CB-CE1 3.48Å; P369-H371 WeakPolarHBondContact CB-ND1 3.08Å; P369-H371 PolarHBondContact O-N 2.92Å; P369-H371 VanDerWaalsContact O-N 3.15Å
372	L	98.4	Very high	97.3	Very high	1 Å²	1	59 Å²	59	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-113.1	-7.5	-179.6	-64.4	177	0	0	0	113.6	M311 A314 P315 E323 I334 I368 P369 D370 E374 P375 F376	M311-L372 HydrophobicContact CE-CD2 3.96Å; A314-L372 HydrophobicContact CB-CD2 4.03Å; P315-L372 VanDerWaalsContact O-CD2 3.3Å; P315-L372 WeakPolarHBondContact O-CD2 3.37Å; E323-L372 WeakPolarHBondContact OE2-CD1 3.38Å; I334-L372 HydrophobicContact CD1-CD1 3.49Å; I334-L372 VanDerWaalsContact CD1-CD1 3.49Å; I334-L372 HydrophobicContact CG2-CD1 4.16Å; I368-L372 HydrophobicContact CG2-CB 3.58Å; P369-L372 PolarHBondContact O-N 3.01Å; D370-L372 PolarHBondContact O-N 2.78Å; L372-E374 PolarHBondContact O-N 3.15Å; L372-P375 WeakPolarHBondContact O-CD 3.34Å; L372-P375 WeakPolarHBondContact O-CG 3.13Å; L372-F376 WeakPolarHBondContact O-CB 3.33Å; L372-F376 PolarHBondContact O-N 3.12Å
373	K	98	Very high	97.1	Very high	54 Å²	54	55 Å²	55	24%	0.235	28%	0.275	C	S	.	.	H	α-helix	trans	-58.7	-51.6	-174.7	-84.7	-176.3	177.9	162.1	0	112.9	Y365 I368 P369 D370 F376 L377	Y365-K373 HydrophobicContact CD2-CB 4.5Å; Y365-K373 HydrophobicContact CD2-CG 4.4Å; Y365-K373 HydrophobicContact CE2-CB 3.69Å; Y365-K373 HydrophobicContact CE2-CD 4.35Å; Y365-K373 HydrophobicContact CE2-CG 3.88Å; Y365-K373 WeakPolarHBondContact CE2-O 3.46Å; I368-K373 HydrophobicContact CB-CG 4.33Å; I368-K373 HydrophobicContact CG2-CG 4.35Å; I368-K373 WeakPolarHBondContact O-CE 3.45Å; P369-K373 PolarHBondContact O-N 3.41Å; D370-K373 PolarHBondContact O-N 3.39Å; D370-K373 WeakPolarHBondContact OD1-CE 3.46Å; D370-K373 IonicContact OD1-NZ 3.38Å; D370-K373 PolarHBondContact OD1-NZ 3.26Å; K373-F376 PolarHBondContact O-N 3.08Å; K373-L377 WeakPolarHBondContact O-CB 3.13Å; K373-L377 PolarHBondContact O-N 2.64Å
374	E	98.3	Very high	96.9	Very high	161 Å²	161	58.5 Å²	58.5	75%	0.752	29%	0.285	S	S	*	.	H	α-helix	trans	-59.7	-56.4	-178.7	-178.3	176.8	-167.6	0	0	112.7	L372 F376 L377 E378	L372-E374 PolarHBondContact O-N 3.15Å; E374-F376 PolarHBondContact O-N 3.28Å; E374-L377 PolarHBondContact O-N 2.84Å; E374-E378 PolarHBondContact O-N 2.79Å
375	P	98.4	Very high	96.8	Very high	14 Å²	14	59.8 Å²	59.8	9%	0.091	29%	0.292	C	S	.	.	H	α-helix	trans	-66.3	-27	179.4	26.3	-35.6	0	0	0	112.9	M311 A314 L372 A379	M311-P375 HydrophobicContact CB-CB 4.25Å; M311-P375 HydrophobicContact SD-CB 4.29Å; M311-P375 HydrophobicContact SD-CG 4.33Å; A314-P375 HydrophobicContact CB-CB 4.01Å; A314-P375 HydrophobicContact CB-CG 3.89Å; L372-P375 WeakPolarHBondContact O-CD 3.34Å; L372-P375 WeakPolarHBondContact O-CG 3.13Å; P375-A379 WeakPolarHBondContact O-CB 3.43Å; P375-A379 PolarHBondContact O-N 2.98Å
376	F	98.6	Very high	96.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.3	-49.9	172.9	-177.4	-80	0	0	0	111	F309 M311 V344 M360 I364 Y365 I368 L372 K373 E374 A379 T380	F309-F376 HydrophobicContact CE1-CE2 4.36Å; F309-F376 HydrophobicContact CE2-CD2 4.24Å; F309-F376 HydrophobicContact CE2-CE2 4.32Å; F309-F376 AromaticContact CZ-CD2 3.86Å; F309-F376 HydrophobicContact CZ-CD2 3.86Å; F309-F376 HydrophobicContact CZ-CE1 4.42Å; F309-F376 AromaticContact CZ-CE2 3.49Å; F309-F376 HydrophobicContact CZ-CE2 3.49Å; F309-F376 VanDerWaalsContact CZ-CE2 3.49Å; F309-F376 HydrophobicContact CZ-CG 4.49Å; F309-F376 AromaticContact CZ-CZ 3.78Å; F309-F376 HydrophobicContact CZ-CZ 3.78Å; M311-F376 VanDerWaalsContact SD-CA 3.58Å; M311-F376 HydrophobicContact SD-CB 3.82Å; M311-F376 HydrophobicContact SD-CD2 4.4Å; M311-F376 PolarHBondContact SD-N 2.88Å; V344-F376 HydrophobicContact CG1-CD2 4.33Å; V344-F376 HydrophobicContact CG1-CE2 3.96Å; V344-F376 HydrophobicContact CG2-CD2 4.46Å; M360-F376 HydrophobicContact CB-CE1 4.17Å; M360-F376 HydrophobicContact CB-CZ 4.21Å; M360-F376 HydrophobicContact SD-CZ 4.5Å; I364-F376 HydrophobicContact CB-CZ 4.06Å; I364-F376 HydrophobicContact CG2-CE2 4.04Å; I364-F376 HydrophobicContact CG2-CZ 3.58Å; Y365-F376 HydrophobicContact CD2-CD1 4.05Å; I368-F376 HydrophobicContact CD1-CD2 3.95Å; I368-F376 HydrophobicContact CD1-CE2 3.71Å; I368-F376 HydrophobicContact CD1-CZ 4.31Å; I368-F376 HydrophobicContact CG1-CD1 4.31Å; I368-F376 HydrophobicContact CG1-CD2 3.83Å; I368-F376 HydrophobicContact CG1-CE1 4.34Å; I368-F376 HydrophobicContact CG1-CE2 3.82Å; I368-F376 HydrophobicContact CG1-CG 4.07Å; I368-F376 HydrophobicContact CG1-CZ 4.11Å; I368-F376 HydrophobicContact CG2-CB 4.4Å; L372-F376 WeakPolarHBondContact O-CB 3.33Å; L372-F376 PolarHBondContact O-N 3.12Å; K373-F376 PolarHBondContact O-N 3.08Å; E374-F376 PolarHBondContact O-N 3.28Å; F376-A379 PolarHBondContact O-N 3.25Å; F376-T380 HydrophobicContact CD1-CG2 3.97Å; F376-T380 HydrophobicContact CE1-CG2 3.7Å; F376-T380 HydrophobicContact CZ-CG2 4.37Å; F376-T380 WeakPolarHBondContact O-CG2 3.45Å; F376-T380 PolarHBondContact O-N 3.24Å
377	L	97.9	Very high	96.7	Very high	55 Å²	55	58.5 Å²	58.5	29%	0.288	29%	0.285	S	S	.	.	H	α-helix	trans	-61.9	-47.9	-178.7	-173.8	61.8	0	0	0	110.9	V361 Y365 K373 E374 A379 T380	V361-L377 HydrophobicContact CG1-CD1 4.39Å; V361-L377 HydrophobicContact CG2-CD1 4.04Å; Y365-L377 HydrophobicContact CD2-CB 4.18Å; Y365-L377 HydrophobicContact CE2-CB 3.92Å; Y365-L377 HydrophobicContact CE2-CD2 4.34Å; K373-L377 WeakPolarHBondContact O-CB 3.13Å; K373-L377 PolarHBondContact O-N 2.64Å; E374-L377 PolarHBondContact O-N 2.84Å; L377-A379 VanDerWaalsContact C-N 3.28Å; L377-A379 PolarHBondContact O-N 3.3Å; L377-T380 PolarHBondContact O-N 2.94Å; L377-T380 VanDerWaalsContact O-N 3.12Å; L377-T380 PolarHBondContact O-OG1 3.29Å
378	E	97.8	Very high	96.6	Very high	100 Å²	100	59 Å²	59	47%	0.467	29%	0.288	S	S	.	.	H	α-helix	trans	-55.9	-44.1	175.2	-172	-163.6	160.3	0	0	111.6	E374 T380 E381 N382	E374-E378 PolarHBondContact O-N 2.79Å; E378-T380 VanDerWaalsContact C-N 3.33Å; E378-T380 PolarHBondContact O-N 3.37Å; E378-E381 PolarHBondContact O-N 2.92Å; E378-N382 PolarHBondContact O-N 2.89Å; E378-N382 PolarHBondContact O-ND2 3.42Å
379	A	97.5	Very high	96.6	Very high	7 Å²	7	60.2 Å²	60.2	6%	0.058	30%	0.296	C	S	.	.	H	α-helix	trans	-67.4	-30.7	-179.8	0	0	0	0	0	113.1	F309 L310 M311 P375 F376 L377 E381 N382 S383	F309-A379 HydrophobicContact CD2-CB 3.82Å; F309-A379 HydrophobicContact CE2-CB 3.89Å; L310-A379 VanDerWaalsContact O-CB 3.32Å; L310-A379 WeakPolarHBondContact O-CB 3.5Å; M311-A379 HydrophobicContact CB-CB 4.48Å; M311-A379 HydrophobicContact CG-CB 3.95Å; P375-A379 WeakPolarHBondContact O-CB 3.43Å; P375-A379 PolarHBondContact O-N 2.98Å; F376-A379 PolarHBondContact O-N 3.25Å; L377-A379 VanDerWaalsContact C-N 3.28Å; L377-A379 PolarHBondContact O-N 3.3Å; A379-E381 PolarHBondContact O-N 3.1Å; A379-N382 PolarHBondContact O-N 3.42Å; A379-S383 WeakPolarHBondContact O-CA 3.42Å; A379-S383 WeakPolarHBondContact O-CB 3.5Å; A379-S383 PolarHBondContact O-N 3.45Å
380	T	94.5	Very high	96.6	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-26.7	175.9	61.2	0	0	0	0	113	F309 R357 M360 F376 L377 E378	F309-T380 HydrophobicContact CE2-CG2 4.34Å; F309-T380 HydrophobicContact CZ-CG2 4.18Å; R357-T380 PolarHBondContact NH1-O 2.92Å; M360-T380 HydrophobicContact CB-CG2 3.56Å; M360-T380 HydrophobicContact CG-CG2 4.18Å; F376-T380 HydrophobicContact CD1-CG2 3.97Å; F376-T380 HydrophobicContact CE1-CG2 3.7Å; F376-T380 HydrophobicContact CZ-CG2 4.37Å; F376-T380 WeakPolarHBondContact O-CG2 3.45Å; F376-T380 PolarHBondContact O-N 3.24Å; L377-T380 PolarHBondContact O-N 2.94Å; L377-T380 VanDerWaalsContact O-N 3.12Å; L377-T380 PolarHBondContact O-OG1 3.29Å; E378-T380 VanDerWaalsContact C-N 3.33Å; E378-T380 PolarHBondContact O-N 3.37Å
381	E	92	Very high	96.5	Very high	124 Å²	124	53.5 Å²	53.5	58%	0.579	26%	0.26	S	S	*	.	H	α-helix	trans	-84.9	-42.7	176.5	-63	-176.1	169.5	0	0	111.6	R357 E378 A379	R357-E381 PolarHBondContact NH1-O 2.9Å; E378-E381 PolarHBondContact O-N 2.92Å; A379-E381 PolarHBondContact O-N 3.1Å
382	N	93.1	Very high	96.5	Very high	121 Å²	121	52.6 Å²	52.6	65%	0.647	26%	0.255	S	S	*	.	H	α-helix	trans	-100.9	-20.1	-167.1	-64.6	-44.3	0	0	0	114.7	E378 A379	E378-N382 PolarHBondContact O-N 2.89Å; E378-N382 PolarHBondContact O-ND2 3.42Å; A379-N382 PolarHBondContact O-N 3.42Å
383	S	92.4	Very high	96.4	Very high	24 Å²	24	52.5 Å²	52.5	17%	0.168	26%	0.255	C	S	.	.	S	Bend	trans	-92.1	152.1	-178.5	-172.4	0	0	0	0	112.3	L310 A379 L385	L310-S383 PolarHBondContact N-OG 3.17Å; A379-S383 WeakPolarHBondContact O-CA 3.42Å; A379-S383 WeakPolarHBondContact O-CB 3.5Å; A379-S383 PolarHBondContact O-N 3.45Å; S383-L385 PolarHBondContact O-N 3Å
384	R	94.3	Very high	96.4	Very high	186 Å²	186	50.9 Å²	50.9	70%	0.702	25%	0.25	S	C	*	.	P	Polyproline II helix	trans	-77.1	118.6	166.4	-175.3	-179.5	-179.5	-177.8	3.5	109.6	R386	R384-R386 HydrophobicContact CG-CG 4.22Å
385	L	96.5	Very high	96.2	Very high	29 Å²	29	43.2 Å²	43.2	15%	0.152	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-78.4	126.6	170.9	-68.3	81.5	0	0	0	109.3	V307 F309 L356 R357 M360 S383	V307-L385 HydrophobicContact CG1-CB 4.1Å; V307-L385 HydrophobicContact CG1-CD2 4.11Å; F309-L385 HydrophobicContact CD1-CG 4.34Å; L356-L385 HydrophobicContact CB-CD2 3.74Å; L356-L385 HydrophobicContact CD1-CB 4.45Å; R357-L385 HydrophobicContact CG-CD1 3.88Å; M360-L385 HydrophobicContact CE-CD2 3.99Å; M360-L385 HydrophobicContact CG-CD2 3.77Å; S383-L385 PolarHBondContact O-N 3Å
386	R	96.5	Very high	96	Very high	64 Å²	64	43 Å²	43	24%	0.242	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	142.3	178.8	-62.9	179.3	67	-171.8	6	109.4	D160 I162 V307 G308 R384	D160-R386 VanDerWaalsContact C-NH1 3.29Å; D160-R386 PolarHBondContact O-NH1 3.48Å; D160-R386 PolarHBondContact O-NH2 3.34Å; D160-R386 IonicContact OD1-CZ 3.87Å; D160-R386 IonicContact OD1-NH1 3.89Å; D160-R386 PolarHBondContact OD1-NH1 2.73Å; D160-R386 IonicContact OD2-NH1 3.54Å; D160-R386 PolarHBondContact OD2-NH1 3.46Å; I162-R386 HydrophobicContact CD1-CB 4.12Å; I162-R386 WeakPolarHBondContact CD1-O 3.4Å; I162-R386 HydrophobicContact CG2-CB 3.9Å; I162-R386 HydrophobicContact CG2-CG 4.43Å; V307-R386 CarbonylContact C-O 3.51Å; V307-R386 VanDerWaalsContact CA-O 3.3Å; V307-R386 WeakPolarHBondContact CA-O 3.3Å; G308-R386 PolarHBondContact N-O 3.1Å; G308-R386 PolarHBondContact O-N 3.11Å; R384-R386 HydrophobicContact CG-CG 4.22Å
387	S	96.6	Very high	95.8	Very high	52 Å²	52	43.8 Å²	43.8	36%	0.364	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.7	178.1	-179.9	0	0	0	0	111.2	F306	F306-S387 CarbonylContact O-C 3.6Å; F306-S387 VanDerWaalsContact O-CA 3.27Å; F306-S387 WeakPolarHBondContact O-CA 3.44Å
388	M	96.6	Very high	95.6	Very high	37 Å²	37	41.3 Å²	41.3	18%	0.182	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.5	172.2	-75.1	-66.9	-65.5	0	0	110	I162 V163 L287 F288 H305 F306	I162-M388 HydrophobicContact CD1-CB 4.19Å; I162-M388 HydrophobicContact CD1-CG 3.84Å; I162-M388 HydrophobicContact CG1-CB 4.4Å; I162-M388 HydrophobicContact CG1-CG 3.69Å; V163-M388 HydrophobicContact CG1-CB 4.07Å; V163-M388 HydrophobicContact CG1-CE 4.39Å; V163-M388 HydrophobicContact CG1-CG 4.02Å; V163-M388 HydrophobicContact CG2-CE 4.41Å; L287-M388 HydrophobicContact CD1-CE 3.6Å; L287-M388 HydrophobicContact CD2-CE 4.16Å; F288-M388 HydrophobicContact CE2-CE 4.14Å; F288-M388 HydrophobicContact CZ-CE 4.5Å; H305-M388 CarbonylContact C-O 3.42Å; H305-M388 WeakPolarHBondContact CA-O 3.27Å; F306-M388 PolarHBondContact N-O 3.05Å; F306-M388 PolarHBondContact O-N 3.08Å
389	P	97.2	Very high	95.4	Very high	30 Å²	30	39.5 Å²	39.5	20%	0.195	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	137.1	178.4	29.2	-34.6	0	0	0	111.1	L287 F288 V302 S391	L287-P389 HydrophobicContact CD1-CG 4.25Å; F288-P389 HydrophobicContact CE1-CG 4.08Å; F288-P389 HydrophobicContact CZ-CG 3.86Å; V302-P389 HydrophobicContact CG1-CB 4Å; V302-P389 HydrophobicContact CG2-CB 4.42Å; P389-S391 PolarHBondContact O-N 3.24Å
390	A	97.5	Very high	95.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	88.1	168.3	0	0	0	0	0	109	S303 S304 H414 P415	S303-A390 PolarHBondContact N-O 2.83Å; S304-A390 WeakPolarHBondContact O-CB 3.36Å; S304-A390 PolarHBondContact O-N 3.09Å; S304-A390 WeakPolarHBondContact OG-CB 3.44Å; A390-H414 VanDerWaalsContact CB-NE2 3.33Å; A390-H414 WeakPolarHBondContact CB-NE2 3.18Å; A390-P415 HydrophobicContact CB-CG 4.02Å
391	S	96.4	Very high	95.4	Very high	12 Å²	12	45.8 Å²	45.8	8%	0.084	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	151.1	-174.6	-63.7	0	0	0	0	113.4	S301 P389 R413	S301-S391 CarbonylContact O-C 3.57Å; S301-S391 WeakPolarHBondContact O-CA 3.46Å; P389-S391 PolarHBondContact O-N 3.24Å; S391-R413 CarbonylContact O-C 3.57Å
392	F	97.8	Very high	95.7	Very high	31 Å²	31	40 Å²	40	14%	0.136	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.3	168.5	179.6	-132.2	0	0	0	110.2	S301 P394 M412 Q471 L564	S301-F392 PolarHBondContact N-O 3.2Å; S301-F392 PolarHBondContact O-N 2.93Å; S301-F392 PolarHBondContact OG-O 3.48Å; F392-P394 HydrophobicContact CE1-CG 4.35Å; F392-P394 HydrophobicContact CE2-CB 4.35Å; F392-P394 HydrophobicContact CZ-CB 3.95Å; F392-P394 HydrophobicContact CZ-CG 4.23Å; F392-M412 WeakPolarHBondContact CD2-O 3.13Å; F392-Q471 HydrophobicContact CD2-CG 3.81Å; F392-Q471 HydrophobicContact CE2-CG 3.88Å; F392-Q471 HydrophobicContact CG-CG 4.24Å; F392-Q471 VanDerWaalsContact CG-NE2 3.3Å; F392-Q471 HydrophobicContact CZ-CG 4.39Å; F392-L564 HydrophobicContact CE1-CD2 4.43Å; F392-L564 HydrophobicContact CZ-CD2 4.13Å
393	L	97.6	Very high	96	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-141.1	102	173.1	175	67.6	0	0	0	108	R292 I296 N298 V300 Y410 N411 M412	R292-L393 HydrophobicContact CG-CD2 4.49Å; R292-L393 VanDerWaalsContact NE-CD2 3.28Å; I296-L393 HydrophobicContact CD1-CD1 4.07Å; I296-L393 HydrophobicContact CD1-CD2 4.02Å; I296-L393 HydrophobicContact CD1-CG 4.39Å; N298-L393 HydrophobicContact CB-CD1 4.02Å; V300-L393 HydrophobicContact CG2-CD1 4.28Å; V300-L393 HydrophobicContact CG2-CD2 4.5Å; L393-Y410 VanDerWaalsContact CD2-O 3.3Å; L393-Y410 WeakPolarHBondContact CD2-O 3.22Å; L393-N411 WeakPolarHBondContact O-CA 3.32Å; L393-N411 PolarHBondContact O-ND2 3.33Å; L393-M412 CarbonylContact C-O 3.54Å; L393-M412 HydrophobicContact CB-CB 3.93Å; L393-M412 HydrophobicContact CB-CE 3.61Å; L393-M412 HydrophobicContact CB-CG 4.27Å; L393-M412 HydrophobicContact CD2-CE 3.94Å; L393-M412 HydrophobicContact CG-CE 4.42Å; L393-M412 PolarHBondContact N-O 2.87Å; L393-M412 PolarHBondContact O-N 2.84Å; L393-M412 VanDerWaalsContact O-O 3.12Å
394	P	96.4	Very high	96.3	Very high	20 Å²	20	33.3 Å²	33.3	13%	0.13	16%	0.158	C	C	.	.			trans	-65	147.1	176.3	26.6	-32.8	0	0	0	110.4	N298 F392	N298-P394 HydrophobicContact CB-CG 4.48Å; N298-P394 PolarHBondContact ND2-O 3.24Å; N298-P394 VanDerWaalsContact ND2-O 3.1Å; F392-P394 HydrophobicContact CE1-CG 4.35Å; F392-P394 HydrophobicContact CE2-CB 4.35Å; F392-P394 HydrophobicContact CZ-CB 3.95Å; F392-P394 HydrophobicContact CZ-CG 4.23Å
395	P	95.4	Very high	96.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.			trans	-63.3	155.3	-178.8	30.2	-34.8	0	0	0	111.2	N298 Y410 N411 E568 Y571	N298-P395 PolarHBondContact ND2-O 3Å; N298-P395 VanDerWaalsContact ND2-O 3.15Å; P395-Y410 HydrophobicContact CB-CE1 3.97Å; P395-N411 HydrophobicContact CB-CB 4.26Å; P395-N411 WeakPolarHBondContact CD-ND2 2.99Å; P395-E568 WeakPolarHBondContact CD-OE1 3.27Å; P395-Y571 HydrophobicContact CB-CE1 4.26Å; P395-Y571 WeakPolarHBondContact CB-OH 3.39Å; P395-Y571 VanDerWaalsContact CG-OH 3.24Å; P395-Y571 WeakPolarHBondContact CG-OH 3.37Å
396	S	93.9	Very high	96.6	Very high	10 Å²	10	23.4 Å²	23.4	7%	0.07	12%	0.119	C	C	.	.			trans	-140.2	168.4	179.6	-160.8	0	0	0	0	110.7	Y410	S396-Y410 WeakPolarHBondContact O-CE2 3.17Å; S396-Y410 VanDerWaalsContact O-CZ 3.29Å; S396-Y410 PolarHBondContact O-OH 3.2Å
397	S	93.4	Very high	96.7	Very high	15 Å²	15	20.8 Å²	20.8	11%	0.105	11%	0.112	C	C	.	.			trans	-80	131.3	170.5	46.9	0	0	0	0	110.1	N399 M572	S397-N399 WeakPolarHBondContact CB-OD1 3.03Å; S397-M572 PolarHBondContact OG-O 3.32Å
398	V	95.4	Very high	96.7	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.018	11%	0.111	C	C	.	.			trans	-99.4	89.5	171.7	-175.4	0	0	0	0	108	L295 I296 V403 L405 Y410 K451 Y455	L295-V398 HydrophobicContact CB-CG1 4.37Å; I296-V398 HydrophobicContact CG2-CG2 3.8Å; V398-V403 HydrophobicContact CG1-CG1 4.37Å; V398-L405 HydrophobicContact CG2-CB 3.91Å; V398-Y410 HydrophobicContact CG2-CD2 4.13Å; V398-Y410 HydrophobicContact CG2-CE2 3.95Å; V398-K451 WeakPolarHBondContact O-CD 3.35Å; V398-K451 PolarHBondContact O-NZ 3.32Å; V398-Y455 PolarHBondContact N-OH 2.91Å
399	N	92.2	Very high	96.8	Very high	62 Å²	62	19.5 Å²	19.5	33%	0.332	10%	0.102	S	C	.	.			trans	-78	-23.8	-173.8	-65.1	-14.4	0	0	0	113.1	S397 R401	S397-N399 WeakPolarHBondContact CB-OD1 3.03Å; N399-R401 PolarHBondContact O-N 3.42Å
400	K	95.4	Very high	96.8	Very high	34 Å²	34	18.1 Å²	18.1	15%	0.148	9%	0.093	C	C	.	.			trans	-58.5	135.5	-179.4	-171.7	163.3	-67.3	-158.3	0	111.7	E255 D258 V260 L295 V403 K451	E255-K400 IonicContact OE1-NZ 3.88Å; E255-K400 PolarHBondContact OE1-NZ 3.38Å; E255-K400 IonicContact OE2-NZ 3.63Å; E255-K400 PolarHBondContact OE2-NZ 3.21Å; D258-K400 WeakPolarHBondContact OD1-CE 3.38Å; D258-K400 IonicContact OD1-NZ 2.82Å; V260-K400 HydrophobicContact CG2-CD 3.74Å; V260-K400 HydrophobicContact CG2-CG 4.08Å; L295-K400 HydrophobicContact CD2-CB 4.18Å; L295-K400 HydrophobicContact CD2-CD 4.02Å; K400-V403 HydrophobicContact CB-CG1 3.84Å; K400-V403 HydrophobicContact CD-CG1 4.49Å; K400-V403 HydrophobicContact CG-CG1 3.94Å; K400-V403 WeakPolarHBondContact O-CG1 3.45Å; K400-K451 PolarHBondContact O-NZ 3.41Å
401	R	97.1	Very high	96.9	Very high	107 Å²	107	18.2 Å²	18.2	40%	0.404	9%	0.093	S	C	.	.	B	Isolated β-bridge	trans	-78.6	159.1	-176.7	-63	179.4	-62.6	146	-6.6	111.5	D257 A259 V260 N399 V403 D444	D257-R401 PolarHBondContact O-NH2 3.23Å; A259-R401 HydrophobicContact CB-CB 3.88Å; V260-R401 PolarHBondContact N-O 3.15Å; N399-R401 PolarHBondContact O-N 3.42Å; R401-V403 PolarHBondContact O-N 3.03Å; R401-D444 WeakPolarHBondContact CD-OD2 3.31Å; R401-D444 IonicContact CZ-OD2 2.7Å; R401-D444 IonicContact NH1-OD2 3.62Å; R401-D444 PolarHBondContact NH1-OD2 3.25Å; R401-D444 VanDerWaalsContact NH1-OD2 3.08Å
402	G	97.8	Very high	97	Very high	4 Å²	4	17.9 Å²	17.9	4%	0.041	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	5.8	-178	0	0	0	0	0	116.4	V260 P279 T281	V260-G402 WeakPolarHBondContact O-CA 3.49Å; P279-G402 WeakPolarHBondContact O-CA 3.3Å; T281-G402 PolarHBondContact N-O 3.18Å
403	V	98.6	Very high	97	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.6	-176.4	66.5	0	0	0	0	114.2	V260 T281 V283 L295 V398 K400 R401 K451	V260-V403 HydrophobicContact CB-CB 3.9Å; V260-V403 HydrophobicContact CB-CG1 4.33Å; V260-V403 HydrophobicContact CG1-CB 4.31Å; V260-V403 HydrophobicContact CG2-CB 3.75Å; V260-V403 HydrophobicContact CG2-CG1 3.76Å; V260-V403 HydrophobicContact CG2-CG2 4.4Å; T281-V403 CarbonylContact O-C 3.47Å; T281-V403 VanDerWaalsContact O-CA 3.24Å; T281-V403 WeakPolarHBondContact O-CA 3.35Å; T281-V403 WeakPolarHBondContact O-CG2 3.38Å; V283-V403 HydrophobicContact CG2-CG2 4.04Å; L295-V403 HydrophobicContact CD1-CG2 3.92Å; L295-V403 HydrophobicContact CD2-CG1 3.74Å; L295-V403 HydrophobicContact CD2-CG2 4.32Å; V398-V403 HydrophobicContact CG1-CG1 4.37Å; K400-V403 HydrophobicContact CB-CG1 3.84Å; K400-V403 HydrophobicContact CD-CG1 4.49Å; K400-V403 HydrophobicContact CG-CG1 3.94Å; K400-V403 WeakPolarHBondContact O-CG1 3.45Å; R401-V403 PolarHBondContact O-N 3.03Å; V403-K451 WeakPolarHBondContact O-CE 3.39Å; V403-K451 PolarHBondContact O-NZ 2.7Å
404	L	98.7	Very high	97	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.021	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.8	164.4	-55.6	-177.6	0	0	0	109.5	L280 T281 V282 V283 L406 W431 K451	L280-L404 HydrophobicContact CD1-CD1 4.49Å; L280-L404 HydrophobicContact CD1-CG 4Å; L280-L404 HydrophobicContact CD2-CD1 4.1Å; L280-L404 HydrophobicContact CD2-CG 4.49Å; L280-L404 HydrophobicContact CG-CG 4.5Å; T281-L404 PolarHBondContact O-N 2.97Å; V282-L404 CarbonylContact C-O 3.58Å; V282-L404 WeakPolarHBondContact CA-O 3.45Å; V282-L404 HydrophobicContact CG1-CB 4.41Å; V282-L404 HydrophobicContact CG2-CB 4.3Å; V282-L404 HydrophobicContact CG2-CD1 4.27Å; V283-L404 PolarHBondContact N-O 2.92Å; L404-L406 HydrophobicContact CB-CD1 4.39Å; L404-L406 HydrophobicContact CB-CG 4.25Å; L404-L406 HydrophobicContact CD1-CD1 4.43Å; L404-W431 HydrophobicContact CD1-CD2 3.87Å; L404-W431 HydrophobicContact CD1-CE3 3.79Å; L404-W431 HydrophobicContact CD1-CH2 4.01Å; L404-W431 HydrophobicContact CD1-CZ2 4.09Å; L404-W431 HydrophobicContact CD1-CZ3 3.87Å; L404-W431 HydrophobicContact CD2-CH2 3.5Å; L404-W431 VanDerWaalsContact CD2-CH2 3.5Å; L404-W431 HydrophobicContact CD2-CZ2 3.73Å; L404-W431 HydrophobicContact CD2-CZ3 4.04Å; L404-W431 HydrophobicContact CG-CH2 4.43Å; L404-K451 HydrophobicContact CD2-CD 4.47Å; L404-K451 VanDerWaalsContact CD2-CE 3.47Å; L404-K451 HydrophobicContact CD2-CG 4.18Å
405	L	98.7	Very high	97	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.016	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.5	168	-177.3	66	0	0	0	107	V283 R292 L295 I296 V398 A409 Y410	V283-L405 HydrophobicContact CB-CD1 3.66Å; V283-L405 HydrophobicContact CG1-CD1 3.49Å; V283-L405 VanDerWaalsContact CG1-CD1 3.49Å; R292-L405 HydrophobicContact CG-CD2 4.36Å; L295-L405 HydrophobicContact CB-CD2 4.14Å; L295-L405 HydrophobicContact CD1-CB 4.11Å; L295-L405 HydrophobicContact CD1-CD1 4.19Å; L295-L405 HydrophobicContact CD1-CD2 4.46Å; L295-L405 HydrophobicContact CD1-CG 4.48Å; I296-L405 HydrophobicContact CD1-CD2 4.21Å; I296-L405 HydrophobicContact CG1-CD2 4.19Å; I296-L405 HydrophobicContact CG2-CD2 3.95Å; V398-L405 HydrophobicContact CG2-CB 3.91Å; L405-A409 HydrophobicContact CD1-CB 3.58Å; L405-A409 HydrophobicContact CG-CB 4.39Å; L405-Y410 HydrophobicContact CB-CD2 4.37Å; L405-Y410 HydrophobicContact CD2-CD2 4.32Å; L405-Y410 HydrophobicContact CG-CD2 4.34Å; L405-Y410 VanDerWaalsContact O-CB 3.3Å; L405-Y410 WeakPolarHBondContact O-CB 3.47Å; L405-Y410 WeakPolarHBondContact O-CD2 3.48Å; L405-Y410 VanDerWaalsContact O-CG 3.28Å
406	L	98.8	Very high	97.1	Very high	3 Å²	3	19 Å²	19	2%	0.016	10%	0.098	C	C	.	.			trans	-137.1	166.9	-174.5	-60.6	176.4	0	0	0	112.5	L134 L138 V282 V283 L404 W431 F454	L134-L406 HydrophobicContact CD1-CB 3.31Å; L134-L406 WeakPolarHBondContact CD1-O 3.39Å; L134-L406 HydrophobicContact CD2-CB 4.49Å; L134-L406 HydrophobicContact CG-CB 4.35Å; L138-L406 HydrophobicContact CD2-CD1 4.49Å; V282-L406 HydrophobicContact CG1-CD1 3.93Å; V282-L406 HydrophobicContact CG1-CG 4.37Å; V283-L406 PolarHBondContact O-N 3.47Å; L404-L406 HydrophobicContact CB-CD1 4.39Å; L404-L406 HydrophobicContact CB-CG 4.25Å; L404-L406 HydrophobicContact CD1-CD1 4.43Å; L406-W431 HydrophobicContact CD1-CG 4.25Å; L406-F454 HydrophobicContact CD2-CE1 4.16Å; L406-F454 HydrophobicContact CD2-CZ 3.88Å
407	G	98.3	Very high	97.2	Very high	9 Å²	9	18.8 Å²	18.8	9%	0.093	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	69.2	-152.2	178.9	0	0	0	0	0	112.5	L134 A409 Y410 N411	L134-G407 VanDerWaalsContact CD1-N 3.3Å; G407-A409 PolarHBondContact O-N 3Å; G407-A409 VanDerWaalsContact O-N 3.16Å; G407-Y410 WeakPolarHBondContact O-CA 3.44Å; G407-Y410 WeakPolarHBondContact O-CB 3.46Å; G407-Y410 PolarHBondContact O-N 3.1Å; G407-N411 PolarHBondContact O-N 2.89Å
408	D	98.3	Very high	97.2	Very high	62 Å²	62	19 Å²	19	33%	0.332	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-66.2	-17	-180	-75.1	2	0	0	0	112.6	L287 R292 Y410 M412 R413	L287-D408 HydrophobicContact CB-CB 4.35Å; R292-D408 PolarHBondContact NH2-O 2.95Å; D408-Y410 PolarHBondContact O-N 2.96Å; D408-M412 HydrophobicContact CB-CG 3.89Å; D408-M412 HydrophobicContact CB-SD 4.35Å; D408-M412 WeakPolarHBondContact O-CG 3.23Å; D408-R413 IonicContact OD1-NH1 2.78Å
409	A	98	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-64.3	-30.2	169.2	0	0	0	0	0	111.6	D285 G286 R292 L405 G407	D285-A409 WeakPolarHBondContact OD1-CB 3.34Å; G286-A409 WeakPolarHBondContact O-CA 3.29Å; G286-A409 PolarHBondContact O-N 3.48Å; R292-A409 PolarHBondContact NE-O 2.61Å; L405-A409 HydrophobicContact CD1-CB 3.58Å; L405-A409 HydrophobicContact CG-CB 4.39Å; G407-A409 PolarHBondContact O-N 3Å; G407-A409 VanDerWaalsContact O-N 3.16Å
410	Y	98.1	Very high	97.6	Very high	1 Å²	1	17 Å²	17	0%	0.004	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-47.6	-177.5	175.6	-120.1	0	0	0	114.2	L393 P395 S396 V398 L405 G407 D408 F454 Y455	L393-Y410 VanDerWaalsContact CD2-O 3.3Å; L393-Y410 WeakPolarHBondContact CD2-O 3.22Å; P395-Y410 HydrophobicContact CB-CE1 3.97Å; S396-Y410 WeakPolarHBondContact O-CE2 3.17Å; S396-Y410 VanDerWaalsContact O-CZ 3.29Å; S396-Y410 PolarHBondContact O-OH 3.2Å; V398-Y410 HydrophobicContact CG2-CD2 4.13Å; V398-Y410 HydrophobicContact CG2-CE2 3.95Å; L405-Y410 HydrophobicContact CB-CD2 4.37Å; L405-Y410 HydrophobicContact CD2-CD2 4.32Å; L405-Y410 HydrophobicContact CG-CD2 4.34Å; L405-Y410 VanDerWaalsContact O-CB 3.3Å; L405-Y410 WeakPolarHBondContact O-CB 3.47Å; L405-Y410 WeakPolarHBondContact O-CD2 3.48Å; L405-Y410 VanDerWaalsContact O-CG 3.28Å; G407-Y410 WeakPolarHBondContact O-CA 3.44Å; G407-Y410 WeakPolarHBondContact O-CB 3.46Å; G407-Y410 PolarHBondContact O-N 3.1Å; D408-Y410 PolarHBondContact O-N 2.96Å; Y410-F454 HydrophobicContact CE1-CE1 4.18Å; Y410-Y455 WeakPolarHBondContact OH-CE1 3.19Å
411	N	98.1	Very high	97.7	Very high	2 Å²	2	16 Å²	16	1%	0.011	9%	0.092	C	C	.	.			trans	-149.4	120.2	-168.9	173.2	-146.8	0	0	0	110.4	L393 P395 G407 R413 R458 N467	L393-N411 WeakPolarHBondContact O-CA 3.32Å; L393-N411 PolarHBondContact O-ND2 3.33Å; P395-N411 HydrophobicContact CB-CB 4.26Å; P395-N411 WeakPolarHBondContact CD-ND2 2.99Å; G407-N411 PolarHBondContact O-N 2.89Å; N411-R413 PolarHBondContact O-NH1 2.83Å; N411-R413 PolarHBondContact OD1-NH2 3.46Å; N411-R458 PolarHBondContact OD1-NH2 3.15Å; N411-N467 PolarHBondContact ND2-ND2 3.44Å; N411-N467 PolarHBondContact OD1-ND2 3.47Å
412	M	98.3	Very high	97.8	Very high	5 Å²	5	11 Å²	11	3%	0.025	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-122.3	148.7	-178.9	-60.8	-177.4	-71.6	0	0	110.7	L287 V300 F392 L393 D408	L287-M412 HydrophobicContact CB-SD 3.64Å; V300-M412 HydrophobicContact CB-CE 4.28Å; V300-M412 HydrophobicContact CG1-CE 3.66Å; V300-M412 HydrophobicContact CG2-CE 3.61Å; F392-M412 WeakPolarHBondContact CD2-O 3.13Å; L393-M412 CarbonylContact C-O 3.54Å; L393-M412 HydrophobicContact CB-CB 3.93Å; L393-M412 HydrophobicContact CB-CE 3.61Å; L393-M412 HydrophobicContact CB-CG 4.27Å; L393-M412 HydrophobicContact CD2-CE 3.94Å; L393-M412 HydrophobicContact CG-CE 4.42Å; L393-M412 PolarHBondContact N-O 2.87Å; L393-M412 PolarHBondContact O-N 2.84Å; L393-M412 VanDerWaalsContact O-O 3.12Å; D408-M412 HydrophobicContact CB-CG 3.89Å; D408-M412 HydrophobicContact CB-SD 4.35Å; D408-M412 WeakPolarHBondContact O-CG 3.23Å
413	R	98.1	Very high	97.8	Very high	16 Å²	16	10.9 Å²	10.9	6%	0.06	7%	0.072	C	C	.	.			trans	-137.9	163	175.1	71.8	-73	-64.3	158.3	3.4	109.5	S391 D408 N411 V466 N467 A470	S391-R413 CarbonylContact O-C 3.57Å; D408-R413 IonicContact OD1-NH1 2.78Å; N411-R413 PolarHBondContact O-NH1 2.83Å; N411-R413 PolarHBondContact OD1-NH2 3.46Å; R413-V466 HydrophobicContact CG-CG1 4.21Å; R413-N467 HydrophobicContact CB-CB 4.48Å; R413-N467 PolarHBondContact NE-OD1 2.87Å; R413-N467 PolarHBondContact NH2-OD1 3.14Å; R413-A470 HydrophobicContact CB-CB 3.93Å; R413-A470 HydrophobicContact CG-CB 3.8Å
414	H	98.1	Very high	97.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.074	C	C	.	.			trans	-54.7	130.3	176.7	-165	-81.6	0	0	0	110.8	S304 D347 A390 L416 A470 Y474	S304-H414 PolarHBondContact OG-NE2 3.05Å; S304-H414 VanDerWaalsContact OG-NE2 3.11Å; D347-H414 IonicContact OD1-CE1 3.69Å; D347-H414 IonicContact OD1-NE2 2.82Å; A390-H414 VanDerWaalsContact CB-NE2 3.33Å; A390-H414 WeakPolarHBondContact CB-NE2 3.18Å; H414-L416 WeakPolarHBondContact ND1-CB 3.37Å; H414-L416 PolarHBondContact ND1-N 2.85Å; H414-L416 VanDerWaalsContact ND1-N 3.11Å; H414-L416 PolarHBondContact O-N 2.91Å; H414-L416 VanDerWaalsContact O-N 3.14Å; H414-A470 HydrophobicContact CB-CB 4.38Å; H414-A470 WeakPolarHBondContact O-CB 3.15Å; H414-Y474 HydrophobicContact CB-CG 4.44Å; H414-Y474 AromaticContact CD2-CD1 3.58Å; H414-Y474 AromaticContact CD2-CD2 3.62Å; H414-Y474 AromaticContact CD2-CE1 3.91Å; H414-Y474 AromaticContact CD2-CE2 3.93Å; H414-Y474 AromaticContact CD2-CG 3.43Å; H414-Y474 VanDerWaalsContact CD2-CG 3.43Å; H414-Y474 AromaticContact CE1-CD2 3.32Å; H414-Y474 WeakPolarHBondContact CE1-CD2 3.41Å; H414-Y474 AromaticContact CE1-CE2 3.78Å; H414-Y474 AromaticContact CE1-CG 3.82Å; H414-Y474 AromaticContact CG-CD2 3.97Å; H414-Y474 AromaticContact CG-CG 3.64Å; H414-Y474 AromaticContact ND1-CD2 3.78Å; H414-Y474 AromaticContact ND1-CG 3.84Å; H414-Y474 AromaticContact NE2-CD2 3.22Å; H414-Y474 WeakPolarHBondContact NE2-CD2 3.24Å; H414-Y474 AromaticContact NE2-CE2 3.31Å; H414-Y474 VanDerWaalsContact NE2-CE2 3.31Å; H414-Y474 WeakPolarHBondContact NE2-CE2 3.38Å; H414-Y474 AromaticContact NE2-CG 3.6Å; H414-Y474 AromaticContact NE2-CZ 3.77Å
415	P	97.1	Very high	97.9	Very high	47 Å²	47	11 Å²	11	31%	0.305	7%	0.073	S	C	.	.	G	3₁₀ helix	trans	-71.2	-3.8	-175.4	21.8	-28.3	0	0	0	115	F306 A390 T417 G418	F306-P415 HydrophobicContact CD2-CB 4.03Å; F306-P415 HydrophobicContact CD2-CG 3.47Å; F306-P415 VanDerWaalsContact CD2-CG 3.47Å; F306-P415 HydrophobicContact CE2-CB 3.79Å; F306-P415 HydrophobicContact CE2-CG 3.49Å; F306-P415 VanDerWaalsContact CE2-CG 3.49Å; A390-P415 HydrophobicContact CB-CG 4.02Å; P415-T417 PolarHBondContact O-N 3.1Å; P415-T417 VanDerWaalsContact O-N 3.13Å; P415-G418 PolarHBondContact O-N 2.68Å
416	L	96.6	Very high	97.9	Very high	11 Å²	11	12.4 Å²	12.4	6%	0.058	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-49.3	-39.2	-179.9	175.7	67.9	0	0	0	113.4	L324 P331 L333 H414 L473 F477	L324-L416 HydrophobicContact CD1-CD1 4.07Å; P331-L416 HydrophobicContact CB-CD1 4.28Å; P331-L416 HydrophobicContact CG-CD1 3.93Å; L333-L416 HydrophobicContact CD1-CD1 4.25Å; L333-L416 HydrophobicContact CD2-CD1 4.24Å; L333-L416 HydrophobicContact CG-CD1 4.25Å; H414-L416 WeakPolarHBondContact ND1-CB 3.37Å; H414-L416 PolarHBondContact ND1-N 2.85Å; H414-L416 VanDerWaalsContact ND1-N 3.11Å; H414-L416 PolarHBondContact O-N 2.91Å; H414-L416 VanDerWaalsContact O-N 3.14Å; L416-L473 HydrophobicContact CD2-CB 4.42Å; L416-L473 HydrophobicContact CD2-CD2 4.44Å; L416-L473 HydrophobicContact CD2-CG 4.31Å; L416-F477 HydrophobicContact CD2-CD2 4.1Å
417	T	95.8	Very high	97.9	Very high	6 Å²	6	12.5 Å²	12.5	4%	0.037	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-95.1	2.2	-177.2	59.2	0	0	0	0	113.5	Q168 P415 G419 L469 A470 L473 L509	Q168-T417 PolarHBondContact NE2-O 2.86Å; P415-T417 PolarHBondContact O-N 3.1Å; P415-T417 VanDerWaalsContact O-N 3.13Å; T417-G419 PolarHBondContact O-N 2.96Å; T417-G419 VanDerWaalsContact O-N 3.15Å; T417-L469 HydrophobicContact CG2-CG 4.45Å; T417-A470 HydrophobicContact CG2-CB 4.31Å; T417-A470 WeakPolarHBondContact OG1-CB 3.37Å; T417-L473 HydrophobicContact CG2-CD2 4.1Å; T417-L509 HydrophobicContact CG2-CD1 3.91Å
418	G	94.6	Very high	97.9	Very high	21 Å²	21	12.1 Å²	12.1	22%	0.216	8%	0.075	C	C	.	.			trans	60.6	25.1	176.8	0	0	0	0	0	115.4	P415	P415-G418 PolarHBondContact O-N 2.68Å
419	G	96.8	Very high	97.9	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.01	8%	0.079	C	C	.	.			trans	-88.8	-8.4	-170.5	0	0	0	0	0	116.8	T417 M421 T422 V423	T417-G419 PolarHBondContact O-N 2.96Å; T417-G419 VanDerWaalsContact O-N 3.15Å; G419-M421 PolarHBondContact O-N 2.93Å; G419-T422 WeakPolarHBondContact O-CB 3.48Å; G419-T422 PolarHBondContact O-N 2.77Å; G419-V423 PolarHBondContact O-N 2.94Å
420	G	97.9	Very high	98	Very high	21 Å²	21	14.7 Å²	14.7	22%	0.216	9%	0.085	C	C	.	.	H	α-helix	trans	-59.4	-49.3	-170.6	0	0	0	0	0	114.1	T422 V423 A424	G420-T422 VanDerWaalsContact C-N 3.32Å; G420-T422 PolarHBondContact O-N 2.95Å; G420-V423 PolarHBondContact O-N 2.97Å; G420-A424 PolarHBondContact O-N 3.39Å
421	M	98.6	Very high	98	Very high	14 Å²	14	14.8 Å²	14.8	7%	0.069	9%	0.085	C	C	.	.	H	α-helix	trans	-64.2	-38.1	177.5	-61.4	-166.6	-69.7	0	0	112	V133 G164 F166 L167 F224 F229 G419 V423 A424 F425	V133-M421 HydrophobicContact CG1-CB 4.2Å; V133-M421 HydrophobicContact CG1-CG 4.09Å; V133-M421 HydrophobicContact CG1-SD 4.37Å; V133-M421 HydrophobicContact CG2-CG 4.08Å; V133-M421 HydrophobicContact CG2-SD 3.92Å; G164-M421 WeakPolarHBondContact O-CE 3.44Å; F166-M421 VanDerWaalsContact C-CE 3.49Å; F166-M421 WeakPolarHBondContact O-CE 3.49Å; L167-M421 HydrophobicContact CB-CE 4.02Å; L167-M421 HydrophobicContact CD1-CB 3.96Å; L167-M421 HydrophobicContact CD1-CE 4.26Å; F224-M421 HydrophobicContact CE2-CE 4.23Å; F224-M421 HydrophobicContact CZ-CE 4Å; F229-M421 HydrophobicContact CD1-SD 4.2Å; F229-M421 HydrophobicContact CE1-SD 3.94Å; G419-M421 PolarHBondContact O-N 2.93Å; M421-V423 VanDerWaalsContact C-N 3.34Å; M421-V423 PolarHBondContact O-N 3.13Å; M421-A424 WeakPolarHBondContact O-CB 3.38Å; M421-A424 PolarHBondContact O-N 3.11Å; M421-F425 HydrophobicContact CB-CE2 4.12Å; M421-F425 WeakPolarHBondContact O-CD2 3.33Å; M421-F425 WeakPolarHBondContact O-CG 3.13Å; M421-F425 PolarHBondContact O-N 3.11Å
422	T	98.8	Very high	98	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.1	-41.9	177.2	-56.9	0	0	0	0	111.9	G171 G419 G420 F425 K426 V511	G171-T422 WeakPolarHBondContact CA-OG1 3.46Å; G419-T422 WeakPolarHBondContact O-CB 3.48Å; G419-T422 PolarHBondContact O-N 2.77Å; G420-T422 VanDerWaalsContact C-N 3.32Å; G420-T422 PolarHBondContact O-N 2.95Å; T422-F425 PolarHBondContact O-N 2.98Å; T422-K426 HydrophobicContact CG2-CD 4.48Å; T422-K426 WeakPolarHBondContact O-CB 3.31Å; T422-K426 WeakPolarHBondContact O-CG 3.32Å; T422-K426 PolarHBondContact O-N 3.38Å; T422-V511 HydrophobicContact CG2-CB 3.79Å; T422-V511 HydrophobicContact CG2-CG1 4Å; T422-V511 HydrophobicContact CG2-CG2 3.87Å
423	V	98.8	Very high	98	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-65.1	-43.1	174.3	175.8	0	0	0	0	110.5	G419 G420 M421 F425 K426 D427 V466	G419-V423 PolarHBondContact O-N 2.94Å; G420-V423 PolarHBondContact O-N 2.97Å; M421-V423 VanDerWaalsContact C-N 3.34Å; M421-V423 PolarHBondContact O-N 3.13Å; V423-F425 PolarHBondContact O-N 2.84Å; V423-K426 PolarHBondContact O-N 2.59Å; V423-D427 WeakPolarHBondContact CG1-OD2 3.4Å; V423-D427 WeakPolarHBondContact O-CB 3.42Å; V423-D427 PolarHBondContact O-N 2.91Å; V423-V466 HydrophobicContact CG2-CB 3.82Å; V423-V466 HydrophobicContact CG2-CG1 3.74Å; V423-V466 HydrophobicContact CG2-CG2 3.99Å
424	A	98.8	Very high	98	Very high	7 Å²	7	23.7 Å²	23.7	6%	0.058	12%	0.124	C	C	.	.	H	α-helix	trans	-56.6	-47	175.9	0	0	0	0	0	112.2	L134 G420 M421 D427 I428	L134-A424 HydrophobicContact CB-CB 4.46Å; G420-A424 PolarHBondContact O-N 3.39Å; M421-A424 WeakPolarHBondContact O-CB 3.38Å; M421-A424 PolarHBondContact O-N 3.11Å; A424-D427 PolarHBondContact O-N 3.36Å; A424-I428 WeakPolarHBondContact O-CD1 3.3Å; A424-I428 WeakPolarHBondContact O-CG1 3.41Å; A424-I428 PolarHBondContact O-N 3.06Å
425	F	98.9	Very high	98.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69	-36.8	178.8	-61.5	-45.2	0	0	0	113.4	V133 A137 L167 V174 L175 L178 F229 L233 M421 T422 V423 I428 K429	V133-F425 HydrophobicContact CG1-CE1 3.62Å; V133-F425 HydrophobicContact CG1-CE2 4.13Å; V133-F425 HydrophobicContact CG1-CZ 3.36Å; A137-F425 HydrophobicContact CB-CD1 4.13Å; A137-F425 HydrophobicContact CB-CE1 3.73Å; L167-F425 HydrophobicContact CD1-CD2 3.96Å; L167-F425 HydrophobicContact CD1-CE2 3.7Å; L167-F425 HydrophobicContact CD2-CE2 4.29Å; V174-F425 HydrophobicContact CB-CB 4.43Å; V174-F425 HydrophobicContact CG1-CB 3.87Å; V174-F425 WeakPolarHBondContact CG1-O 3.35Å; L175-F425 HydrophobicContact CD1-CD1 4.09Å; L175-F425 HydrophobicContact CD1-CD2 4.42Å; L175-F425 HydrophobicContact CD1-CE1 3.76Å; L175-F425 HydrophobicContact CD1-CE2 4.09Å; L175-F425 HydrophobicContact CD1-CG 4.44Å; L175-F425 HydrophobicContact CD1-CZ 3.76Å; L178-F425 HydrophobicContact CD1-CB 4.39Å; F229-F425 HydrophobicContact CE1-CE2 4.39Å; F229-F425 AromaticContact CE1-CZ 3.96Å; F229-F425 HydrophobicContact CE1-CZ 3.96Å; F229-F425 HydrophobicContact CZ-CE2 4.19Å; F229-F425 AromaticContact CZ-CZ 3.73Å; F229-F425 HydrophobicContact CZ-CZ 3.73Å; L233-F425 HydrophobicContact CD1-CZ 4.5Å; M421-F425 HydrophobicContact CB-CE2 4.12Å; M421-F425 WeakPolarHBondContact O-CD2 3.33Å; M421-F425 WeakPolarHBondContact O-CG 3.13Å; M421-F425 PolarHBondContact O-N 3.11Å; T422-F425 PolarHBondContact O-N 2.98Å; V423-F425 PolarHBondContact O-N 2.84Å; F425-I428 HydrophobicContact CD1-CD1 3.95Å; F425-I428 PolarHBondContact O-N 3.15Å; F425-K429 PolarHBondContact O-N 2.83Å
426	K	98.8	Very high	98.1	Very high	32 Å²	32	27.4 Å²	27.4	14%	0.139	14%	0.135	C	C	.	.	H	α-helix	trans	-66.3	-42.2	173.9	-76	-170.1	-175.4	-133.6	0	111.6	V174 T422 V423 I428 K429 L430 H462 V511	V174-K426 HydrophobicContact CG1-CG 4.41Å; V174-K426 HydrophobicContact CG2-CG 3.85Å; T422-K426 HydrophobicContact CG2-CD 4.48Å; T422-K426 WeakPolarHBondContact O-CB 3.31Å; T422-K426 WeakPolarHBondContact O-CG 3.32Å; T422-K426 PolarHBondContact O-N 3.38Å; V423-K426 PolarHBondContact O-N 2.59Å; K426-I428 VanDerWaalsContact C-N 3.34Å; K426-I428 PolarHBondContact O-N 2.82Å; K426-K429 PolarHBondContact O-N 3.4Å; K426-L430 WeakPolarHBondContact O-CG 3.22Å; K426-L430 PolarHBondContact O-N 3.21Å; K426-L430 VanDerWaalsContact O-N 3.07Å; K426-H462 HydrophobicContact CD-CB 3.42Å; K426-H462 VanDerWaalsContact CD-CB 3.42Å; K426-H462 VanDerWaalsContact CD-CG 3.49Å; K426-V511 HydrophobicContact CD-CG1 4.28Å; K426-V511 PolarHBondContact NZ-O 3.32Å
427	D	98.8	Very high	98	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-61.9	-41.5	174.1	-75.1	-25	0	0	0	110.7	V423 A424 K429 L430 W431 F454 R458 H462	V423-D427 WeakPolarHBondContact CG1-OD2 3.4Å; V423-D427 WeakPolarHBondContact O-CB 3.42Å; V423-D427 PolarHBondContact O-N 2.91Å; A424-D427 PolarHBondContact O-N 3.36Å; D427-K429 PolarHBondContact O-N 3.12Å; D427-L430 PolarHBondContact O-N 3.46Å; D427-W431 VanDerWaalsContact O-CD1 3.27Å; D427-W431 PolarHBondContact O-N 3.4Å; D427-F454 HydrophobicContact CB-CE2 3.75Å; D427-F454 HydrophobicContact CB-CZ 4.04Å; D427-F454 WeakPolarHBondContact OD1-CE2 3.2Å; D427-F454 WeakPolarHBondContact OD1-CZ 3.21Å; D427-R458 IonicContact OD1-CZ 2.65Å; D427-R458 IonicContact OD1-NE 3.43Å; D427-R458 PolarHBondContact OD1-NE 3.18Å; D427-R458 VanDerWaalsContact OD1-NE 3.14Å; D427-R458 IonicContact OD1-NH2 3.92Å; D427-R458 IonicContact OD2-NE 3.5Å; D427-R458 IonicContact OD2-NH2 3.9Å; D427-H462 IonicContact OD1-CE1 3.85Å; D427-H462 IonicContact OD1-NE2 3.77Å; D427-H462 PolarHBondContact OD1-NE2 2.81Å
428	I	98.9	Very high	98.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-59.5	-45.9	173.2	-71.3	159.1	0	0	0	111.2	L134 A137 L138 V141 L178 A424 F425 K426 L430 W431 R432	L134-I428 HydrophobicContact CD2-CD1 4Å; L134-I428 HydrophobicContact CD2-CG1 3.83Å; L134-I428 HydrophobicContact CG-CD1 4.46Å; A137-I428 HydrophobicContact CB-CD1 3.72Å; L138-I428 HydrophobicContact CB-CD1 4.46Å; L138-I428 HydrophobicContact CB-CG1 4.2Å; L138-I428 HydrophobicContact CD1-CG1 4.27Å; L138-I428 HydrophobicContact CD1-CG2 4.09Å; V141-I428 HydrophobicContact CG2-CG2 3.69Å; L178-I428 HydrophobicContact CD1-CB 4.24Å; L178-I428 HydrophobicContact CD1-CG2 3.77Å; L178-I428 HydrophobicContact CD2-CG2 4.14Å; A424-I428 WeakPolarHBondContact O-CD1 3.3Å; A424-I428 WeakPolarHBondContact O-CG1 3.41Å; A424-I428 PolarHBondContact O-N 3.06Å; F425-I428 HydrophobicContact CD1-CD1 3.95Å; F425-I428 PolarHBondContact O-N 3.15Å; K426-I428 VanDerWaalsContact C-N 3.34Å; K426-I428 PolarHBondContact O-N 2.82Å; I428-L430 VanDerWaalsContact C-N 3.28Å; I428-L430 PolarHBondContact O-N 2.97Å; I428-W431 PolarHBondContact O-N 2.97Å; I428-R432 VanDerWaalsContact O-CB 3.24Å; I428-R432 WeakPolarHBondContact O-CB 3.4Å; I428-R432 PolarHBondContact O-N 2.83Å
429	K	98.8	Very high	98.3	Very high	92 Å²	92	34.4 Å²	34.4	40%	0.4	19%	0.188	S	C	.	.	H	α-helix	trans	-59.8	-39.9	179.2	-173	175.8	179.9	178.9	0	111.6	V174 D177 L178 F425 K426 D427 K433	V174-K429 HydrophobicContact CG1-CB 4.09Å; V174-K429 HydrophobicContact CG1-CD 4.09Å; D177-K429 IonicContact OD2-NZ 3.29Å; D177-K429 PolarHBondContact OD2-NZ 2.99Å; L178-K429 HydrophobicContact CD2-CB 4.09Å; L178-K429 HydrophobicContact CD2-CG 4.41Å; F425-K429 PolarHBondContact O-N 2.83Å; K426-K429 PolarHBondContact O-N 3.4Å; D427-K429 PolarHBondContact O-N 3.12Å; K429-K433 PolarHBondContact O-N 3.42Å
430	L	98.7	Very high	98.3	Very high	24 Å²	24	38.8 Å²	38.8	13%	0.126	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-52.2	174.1	-66.7	-176.7	0	0	0	111.6	K426 D427 I428 R432 K433 L434 F454 E457 R458	K426-L430 WeakPolarHBondContact O-CG 3.22Å; K426-L430 PolarHBondContact O-N 3.21Å; K426-L430 VanDerWaalsContact O-N 3.07Å; D427-L430 PolarHBondContact O-N 3.46Å; I428-L430 VanDerWaalsContact C-N 3.28Å; I428-L430 PolarHBondContact O-N 2.97Å; L430-R432 VanDerWaalsContact C-N 3.34Å; L430-R432 PolarHBondContact O-N 3.18Å; L430-K433 WeakPolarHBondContact O-CB 3.41Å; L430-K433 PolarHBondContact O-N 3.14Å; L430-K433 VanDerWaalsContact O-N 3.15Å; L430-L434 WeakPolarHBondContact O-CG 3.13Å; L430-L434 PolarHBondContact O-N 2.84Å; L430-F454 HydrophobicContact CB-CD2 4.06Å; L430-F454 HydrophobicContact CD1-CD2 4.01Å; L430-F454 HydrophobicContact CD1-CE2 4.31Å; L430-E457 HydrophobicContact CD1-CB 4.01Å; L430-E457 HydrophobicContact CD2-CB 4.15Å; L430-E457 WeakPolarHBondContact CD2-OE2 3.03Å; L430-R458 HydrophobicContact CD1-CB 4.12Å
431	W	98.8	Very high	98.3	Very high	3 Å²	3	38 Å²	38	1%	0.011	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-39	-179.3	-82.7	110.4	0	0	0	113.1	L404 L406 D427 I428 K433 L434 L435 A450 K451 F454	L404-W431 HydrophobicContact CD1-CD2 3.87Å; L404-W431 HydrophobicContact CD1-CE3 3.79Å; L404-W431 HydrophobicContact CD1-CH2 4.01Å; L404-W431 HydrophobicContact CD1-CZ2 4.09Å; L404-W431 HydrophobicContact CD1-CZ3 3.87Å; L404-W431 HydrophobicContact CD2-CH2 3.5Å; L404-W431 VanDerWaalsContact CD2-CH2 3.5Å; L404-W431 HydrophobicContact CD2-CZ2 3.73Å; L404-W431 HydrophobicContact CD2-CZ3 4.04Å; L404-W431 HydrophobicContact CG-CH2 4.43Å; L406-W431 HydrophobicContact CD1-CG 4.25Å; D427-W431 VanDerWaalsContact O-CD1 3.27Å; D427-W431 PolarHBondContact O-N 3.4Å; I428-W431 PolarHBondContact O-N 2.97Å; W431-K433 VanDerWaalsContact C-N 3.32Å; W431-K433 PolarHBondContact O-N 3.48Å; W431-L434 HydrophobicContact CE3-CB 4.39Å; W431-L434 HydrophobicContact CE3-CD1 4.25Å; W431-L434 HydrophobicContact CZ3-CD1 4.43Å; W431-L434 PolarHBondContact O-N 3.14Å; W431-L435 HydrophobicContact CE3-CD2 4.36Å; W431-L435 HydrophobicContact CE3-CG 4.17Å; W431-L435 WeakPolarHBondContact O-CB 3.36Å; W431-L435 VanDerWaalsContact O-CG 3.27Å; W431-L435 WeakPolarHBondContact O-CG 3.36Å; W431-L435 PolarHBondContact O-N 3.22Å; W431-A450 HydrophobicContact CZ3-CB 4.02Å; W431-K451 HydrophobicContact CH2-CB 4.37Å; W431-K451 HydrophobicContact CH2-CG 3.69Å; W431-K451 HydrophobicContact CZ2-CG 4.25Å; W431-F454 AromaticContact CD1-CD2 3.71Å; W431-F454 AromaticContact CD1-CE2 3.56Å; W431-F454 AromaticContact CE2-CD1 3.98Å; W431-F454 AromaticContact CE2-CD2 3.79Å; W431-F454 AromaticContact CE2-CG 3.67Å; W431-F454 HydrophobicContact CG-CD2 4.46Å; W431-F454 HydrophobicContact CH2-CB 4.38Å; W431-F454 HydrophobicContact CZ2-CB 3.83Å; W431-F454 AromaticContact CZ2-CD1 3.77Å; W431-F454 HydrophobicContact CZ2-CD1 3.77Å; W431-F454 HydrophobicContact CZ2-CD2 4.3Å; W431-F454 HydrophobicContact CZ2-CE1 4.41Å; W431-F454 AromaticContact CZ2-CG 3.7Å; W431-F454 HydrophobicContact CZ2-CG 3.7Å; W431-F454 AromaticContact NE1-CD1 3.72Å; W431-F454 AromaticContact NE1-CD2 3.21Å; W431-F454 AromaticContact NE1-CE1 3.7Å; W431-F454 AromaticContact NE1-CE2 3.19Å; W431-F454 AromaticContact NE1-CG 3.48Å; W431-F454 AromaticContact NE1-CZ 3.43Å
432	R	98.6	Very high	98.2	Very high	49 Å²	49	43 Å²	43	19%	0.185	22%	0.221	C	C	.	.	H	α-helix	trans	-55.8	-47.7	173.1	-171.7	-171.1	-179.1	-174.2	-0.4	111.2	V141 D145 I428 L430 K436	V141-R432 HydrophobicContact CG2-CG 4.4Å; D145-R432 IonicContact OD1-CZ 3.68Å; D145-R432 IonicContact OD1-NE 2.76Å; D145-R432 PolarHBondContact OD1-NE 3.23Å; D145-R432 IonicContact OD1-NH2 3.7Å; D145-R432 PolarHBondContact OD1-NH2 3.18Å; D145-R432 WeakPolarHBondContact OD2-CD 3.38Å; D145-R432 WeakPolarHBondContact OD2-CG 3.27Å; D145-R432 IonicContact OD2-CZ 2.88Å; D145-R432 IonicContact OD2-NE 3.52Å; D145-R432 PolarHBondContact OD2-NE 3.07Å; D145-R432 IonicContact OD2-NH2 3.9Å; I428-R432 VanDerWaalsContact O-CB 3.24Å; I428-R432 WeakPolarHBondContact O-CB 3.4Å; I428-R432 PolarHBondContact O-N 2.83Å; L430-R432 VanDerWaalsContact C-N 3.34Å; L430-R432 PolarHBondContact O-N 3.18Å; R432-K436 WeakPolarHBondContact O-CG 3.39Å; R432-K436 PolarHBondContact O-N 3.46Å
433	K	98.4	Very high	98.1	Very high	134 Å²	134	46.8 Å²	46.8	58%	0.583	24%	0.241	S	C	*	.	H	α-helix	trans	-63.2	-44.7	177.9	179.9	-170.8	170.1	-161	0	111.6	K429 L430 W431 E457	K429-K433 PolarHBondContact O-N 3.42Å; L430-K433 WeakPolarHBondContact O-CB 3.41Å; L430-K433 PolarHBondContact O-N 3.14Å; L430-K433 VanDerWaalsContact O-N 3.15Å; W431-K433 VanDerWaalsContact C-N 3.32Å; W431-K433 PolarHBondContact O-N 3.48Å; K433-E457 IonicContact NZ-OE1 3.47Å
434	L	98.6	Very high	97.9	Very high	28 Å²	28	49.1 Å²	49.1	15%	0.147	25%	0.254	C	S	.	.	H	α-helix	trans	-66.6	-47.5	-178.3	-69	165.4	0	0	0	112	L430 W431 K436 G437 A450 F454	L430-L434 WeakPolarHBondContact O-CG 3.13Å; L430-L434 PolarHBondContact O-N 2.84Å; W431-L434 HydrophobicContact CE3-CB 4.39Å; W431-L434 HydrophobicContact CE3-CD1 4.25Å; W431-L434 HydrophobicContact CZ3-CD1 4.43Å; W431-L434 PolarHBondContact O-N 3.14Å; L434-K436 VanDerWaalsContact C-N 3.26Å; L434-K436 PolarHBondContact O-N 3.38Å; L434-G437 PolarHBondContact O-N 2.97Å; L434-A450 HydrophobicContact CB-CB 4.07Å; L434-A450 HydrophobicContact CD1-CB 4.34Å; L434-A450 WeakPolarHBondContact CD1-O 3.13Å; L434-A450 HydrophobicContact CD2-CB 4.24Å; L434-A450 HydrophobicContact CG-CB 4.44Å; L434-F454 HydrophobicContact CD1-CB 3.88Å
435	L	98.4	Very high	97.8	Very high	4 Å²	4	52 Å²	52	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-70	-19.7	-178.1	-65.8	175.2	0	0	0	113.4	L142 R147 L280 W431 G437 I438 L441 I447	L142-L435 HydrophobicContact CD1-CD1 4.19Å; L142-L435 HydrophobicContact CD2-CD1 3.9Å; R147-L435 PolarHBondContact NH2-O 2.8Å; L280-L435 HydrophobicContact CD2-CD1 4.37Å; L280-L435 HydrophobicContact CD2-CD2 4.06Å; W431-L435 HydrophobicContact CE3-CD2 4.36Å; W431-L435 HydrophobicContact CE3-CG 4.17Å; W431-L435 WeakPolarHBondContact O-CB 3.36Å; W431-L435 VanDerWaalsContact O-CG 3.27Å; W431-L435 WeakPolarHBondContact O-CG 3.36Å; W431-L435 PolarHBondContact O-N 3.22Å; L435-G437 PolarHBondContact O-N 3.38Å; L435-I438 PolarHBondContact O-N 3.2Å; L435-L441 HydrophobicContact CD2-CD2 3.88Å; L435-I447 HydrophobicContact CD2-CD1 3.79Å
436	K	97.1	Very high	97.7	Very high	120 Å²	120	53.3 Å²	53.3	52%	0.522	29%	0.288	S	S	.	.	H	α-helix	trans	-64.4	-29.3	167.9	-80.9	-175.3	-176.6	-157.8	0	112.8	D145 R432 L434 I438	D145-K436 WeakPolarHBondContact OD1-CE 3.46Å; D145-K436 IonicContact OD1-NZ 3.57Å; D145-K436 PolarHBondContact OD1-NZ 3.21Å; D145-K436 WeakPolarHBondContact OD2-CE 3.28Å; D145-K436 IonicContact OD2-NZ 2.8Å; R432-K436 WeakPolarHBondContact O-CG 3.39Å; R432-K436 PolarHBondContact O-N 3.46Å; L434-K436 VanDerWaalsContact C-N 3.26Å; L434-K436 PolarHBondContact O-N 3.38Å; K436-I438 VanDerWaalsContact C-N 3.32Å
437	G	96.5	Very high	97.7	Very high	62 Å²	62	52 Å²	52	64%	0.639	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-2.1	179.4	0	0	0	0	0	114.5	L434 L435	L434-G437 PolarHBondContact O-N 2.97Å; L435-G437 PolarHBondContact O-N 3.38Å
438	I	98.1	Very high	97.6	Very high	14 Å²	14	54.2 Å²	54.2	7%	0.072	29%	0.292	C	S	.	.			trans	-124.9	81.7	-173.5	-54.3	175	0	0	0	108.7	R147 L435 K436 D440 L441 A446 I447 A450	R147-I438 PolarHBondContact NH2-O 3.13Å; L435-I438 PolarHBondContact O-N 3.2Å; K436-I438 VanDerWaalsContact C-N 3.32Å; I438-D440 VanDerWaalsContact C-N 3.32Å; I438-D440 VanDerWaalsContact CG2-O 3.3Å; I438-D440 WeakPolarHBondContact CG2-O 3.49Å; I438-D440 PolarHBondContact O-N 2.94Å; I438-L441 HydrophobicContact CG2-CD2 4.25Å; I438-A446 HydrophobicContact CD1-CB 4.04Å; I438-A446 WeakPolarHBondContact CD1-O 3.37Å; I438-A446 HydrophobicContact CG1-CB 4.05Å; I438-A446 HydrophobicContact CG2-CB 3.97Å; I438-I447 HydrophobicContact CD1-CD1 3.82Å; I438-I447 HydrophobicContact CD1-CG1 4.44Å; I438-I447 HydrophobicContact CG2-CD1 4.21Å; I438-A450 HydrophobicContact CD1-CB 3.81Å
439	P	96.7	Very high	97.5	Very high	110 Å²	110	58.8 Å²	58.8	71%	0.714	31%	0.314	S	S	*	.	S	Bend	trans	-58.5	-42.8	-174.8	-25.2	35	0	0	0	113	R147	R147-P439 PolarHBondContact NH1-O 2.9Å
440	D	97.4	Very high	97.5	Very high	93 Å²	93	54.6 Å²	54.6	50%	0.497	30%	0.296	S	S	.	.			trans	-100.5	113.3	176.5	-175.5	4	0	0	0	110.6	I438 Y442 D443	I438-D440 VanDerWaalsContact C-N 3.32Å; I438-D440 VanDerWaalsContact CG2-O 3.3Å; I438-D440 WeakPolarHBondContact CG2-O 3.49Å; I438-D440 PolarHBondContact O-N 2.94Å; D440-Y442 PolarHBondContact O-N 3.26Å; D440-Y442 WeakPolarHBondContact OD1-CB 3.37Å; D440-Y442 WeakPolarHBondContact OD1-CD2 3.45Å; D440-Y442 PolarHBondContact OD1-N 3.1Å; D440-D443 WeakPolarHBondContact O-CB 3.45Å; D440-D443 PolarHBondContact O-N 3.07Å
441	L	97.8	Very high	97.4	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.016	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-6.2	-179.4	-60.7	-177	0	0	0	113.4	E125 V126 P279 L280 L435 I438 D443 I447	E125-L441 HydrophobicContact CB-CD1 4.24Å; V126-L441 HydrophobicContact CG2-CD1 3.58Å; P279-L441 HydrophobicContact CB-CB 3.9Å; P279-L441 HydrophobicContact CG-CB 3.85Å; L280-L441 HydrophobicContact CB-CB 4.48Å; L280-L441 HydrophobicContact CB-CD1 4.1Å; L280-L441 HydrophobicContact CD2-CD1 4.25Å; L435-L441 HydrophobicContact CD2-CD2 3.88Å; I438-L441 HydrophobicContact CG2-CD2 4.25Å; L441-D443 PolarHBondContact O-N 3.31Å; L441-I447 HydrophobicContact CD2-CD1 4.01Å
442	Y	96.3	Very high	97.3	Very high	121 Å²	121	57.3 Å²	57.3	48%	0.475	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-10	167.9	-72.3	-78.7	0	0	0	112.9	P279 D440 D444	P279-Y442 HydrophobicContact CB-CD1 3.79Å; P279-Y442 HydrophobicContact CB-CD2 3.82Å; P279-Y442 HydrophobicContact CB-CE1 3.78Å; P279-Y442 HydrophobicContact CB-CE2 3.79Å; P279-Y442 HydrophobicContact CB-CG 3.81Å; P279-Y442 HydrophobicContact CG-CD2 4.19Å; P279-Y442 HydrophobicContact CG-CE2 3.88Å; D440-Y442 PolarHBondContact O-N 3.26Å; D440-Y442 WeakPolarHBondContact OD1-CB 3.37Å; D440-Y442 WeakPolarHBondContact OD1-CD2 3.45Å; D440-Y442 PolarHBondContact OD1-N 3.1Å; Y442-D444 VanDerWaalsContact C-N 3.27Å; Y442-D444 PolarHBondContact O-N 3.33Å
443	D	97.3	Very high	97.2	Very high	78 Å²	78	57.3 Å²	57.3	42%	0.417	32%	0.315	S	S	.	.			trans	-73.2	81.3	172.8	-169.6	-18.5	0	0	0	111	D440 L441 A445 A446 I447	D440-D443 WeakPolarHBondContact O-CB 3.45Å; D440-D443 PolarHBondContact O-N 3.07Å; L441-D443 PolarHBondContact O-N 3.31Å; D443-A445 PolarHBondContact O-N 3.48Å; D443-A445 PolarHBondContact OD1-N 3.49Å; D443-A446 HydrophobicContact CB-CB 3.97Å; D443-A446 VanDerWaalsContact CG-CB 3.41Å; D443-A446 PolarHBondContact O-N 2.76Å; D443-A446 PolarHBondContact OD1-N 3.05Å; D443-A446 WeakPolarHBondContact OD2-CB 3.24Å; D443-I447 WeakPolarHBondContact O-CG1 3.32Å; D443-I447 PolarHBondContact O-N 3.42Å
444	D	94.9	Very high	97.2	Very high	53 Å²	53	51 Å²	51	28%	0.283	29%	0.287	S	S	.	.	H	α-helix	trans	-52.9	-35.7	177.4	-88.5	-24.6	0	0	0	112.5	R401 Y442 F448	R401-D444 WeakPolarHBondContact CD-OD2 3.31Å; R401-D444 IonicContact CZ-OD2 2.7Å; R401-D444 IonicContact NH1-OD2 3.62Å; R401-D444 PolarHBondContact NH1-OD2 3.25Å; R401-D444 VanDerWaalsContact NH1-OD2 3.08Å; Y442-D444 VanDerWaalsContact C-N 3.27Å; Y442-D444 PolarHBondContact O-N 3.33Å; D444-F448 VanDerWaalsContact O-CB 3.27Å; D444-F448 WeakPolarHBondContact O-CB 3.37Å; D444-F448 PolarHBondContact O-N 3.14Å
445	A	96.1	Very high	97.1	Very high	67 Å²	67	50.2 Å²	50.2	55%	0.554	28%	0.282	S	S	*	.	H	α-helix	trans	-70.5	-44.7	-178.8	0	0	0	0	0	110.9	D443 F448 E449	D443-A445 PolarHBondContact O-N 3.48Å; D443-A445 PolarHBondContact OD1-N 3.49Å; A445-F448 PolarHBondContact O-N 2.7Å; A445-E449 PolarHBondContact O-N 2.68Å
446	A	97.8	Very high	97	Very high	28 Å²	28	58.1 Å²	58.1	23%	0.231	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-41.3	174.6	0	0	0	0	0	111.9	I438 D443 F448 E449 A450	I438-A446 HydrophobicContact CD1-CB 4.04Å; I438-A446 WeakPolarHBondContact CD1-O 3.37Å; I438-A446 HydrophobicContact CG1-CB 4.05Å; I438-A446 HydrophobicContact CG2-CB 3.97Å; D443-A446 HydrophobicContact CB-CB 3.97Å; D443-A446 VanDerWaalsContact CG-CB 3.41Å; D443-A446 PolarHBondContact O-N 2.76Å; D443-A446 PolarHBondContact OD1-N 3.05Å; D443-A446 WeakPolarHBondContact OD2-CB 3.24Å; A446-F448 VanDerWaalsContact C-N 3.31Å; A446-F448 PolarHBondContact O-N 3.31Å; A446-E449 PolarHBondContact O-N 2.87Å; A446-A450 WeakPolarHBondContact O-CB 3.4Å; A446-A450 PolarHBondContact O-N 3.39Å
447	I	98.1	Very high	97	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-63	-39.6	175.3	-65.6	-68.8	0	0	0	111	L280 L435 I438 L441 D443 A450 K451	L280-I447 HydrophobicContact CD1-CG2 4.48Å; L435-I447 HydrophobicContact CD2-CD1 3.79Å; I438-I447 HydrophobicContact CD1-CD1 3.82Å; I438-I447 HydrophobicContact CD1-CG1 4.44Å; I438-I447 HydrophobicContact CG2-CD1 4.21Å; L441-I447 HydrophobicContact CD2-CD1 4.01Å; D443-I447 WeakPolarHBondContact O-CG1 3.32Å; D443-I447 PolarHBondContact O-N 3.42Å; I447-A450 WeakPolarHBondContact O-CB 3.41Å; I447-A450 PolarHBondContact O-N 3.19Å; I447-K451 WeakPolarHBondContact O-CG 3.5Å; I447-K451 PolarHBondContact O-N 3.15Å
448	F	96.3	Very high	97	Very high	51 Å²	51	52.9 Å²	52.9	22%	0.224	27%	0.273	C	S	.	.	H	α-helix	trans	-64.9	-43	176.1	-178	-109.8	0	0	0	112.9	D444 A445 A446 A450 K451 K452 V573 H574	D444-F448 VanDerWaalsContact O-CB 3.27Å; D444-F448 WeakPolarHBondContact O-CB 3.37Å; D444-F448 PolarHBondContact O-N 3.14Å; A445-F448 PolarHBondContact O-N 2.7Å; A446-F448 VanDerWaalsContact C-N 3.31Å; A446-F448 PolarHBondContact O-N 3.31Å; F448-A450 VanDerWaalsContact C-N 3.32Å; F448-A450 PolarHBondContact O-N 3.34Å; F448-K451 WeakPolarHBondContact O-CB 3.41Å; F448-K451 PolarHBondContact O-N 3.07Å; F448-K452 HydrophobicContact CE1-CD 4.41Å; F448-K452 VanDerWaalsContact CE1-NZ 3.31Å; F448-K452 PolarHBondContact O-N 2.92Å; F448-K452 VanDerWaalsContact O-N 3.09Å; F448-V573 HydrophobicContact CE1-CG1 4.36Å; F448-V573 HydrophobicContact CE2-CG1 3.58Å; F448-V573 HydrophobicContact CZ-CG1 3.43Å; F448-V573 VanDerWaalsContact CZ-CG1 3.43Å; F448-H574 WeakPolarHBondContact CZ-O 3.43Å
449	E	97.1	Very high	96.9	Very high	96 Å²	96	54.2 Å²	54.2	45%	0.449	28%	0.278	S	S	.	.	H	α-helix	trans	-65.6	-34.9	173.3	-69.9	-54.3	132.4	0	0	112.3	A445 A446 K452 S453	A445-E449 PolarHBondContact O-N 2.68Å; A446-E449 PolarHBondContact O-N 2.87Å; E449-K452 PolarHBondContact O-N 3.47Å; E449-K452 IonicContact OE1-NZ 3.06Å; E449-K452 PolarHBondContact OE1-NZ 3.08Å; E449-K452 IonicContact OE2-NZ 4Å; E449-S453 PolarHBondContact O-N 3.36Å; E449-S453 PolarHBondContact O-OG 2.86Å
450	A	98.1	Very high	96.9	Very high	5 Å²	5	51.8 Å²	51.8	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-40.4	170.9	0	0	0	0	0	112.2	W431 L434 I438 A446 I447 F448 K452 S453 F454	W431-A450 HydrophobicContact CZ3-CB 4.02Å; L434-A450 HydrophobicContact CB-CB 4.07Å; L434-A450 HydrophobicContact CD1-CB 4.34Å; L434-A450 WeakPolarHBondContact CD1-O 3.13Å; L434-A450 HydrophobicContact CD2-CB 4.24Å; L434-A450 HydrophobicContact CG-CB 4.44Å; I438-A450 HydrophobicContact CD1-CB 3.81Å; A446-A450 WeakPolarHBondContact O-CB 3.4Å; A446-A450 PolarHBondContact O-N 3.39Å; I447-A450 WeakPolarHBondContact O-CB 3.41Å; I447-A450 PolarHBondContact O-N 3.19Å; F448-A450 VanDerWaalsContact C-N 3.32Å; F448-A450 PolarHBondContact O-N 3.34Å; A450-K452 VanDerWaalsContact C-N 3.35Å; A450-K452 PolarHBondContact O-N 3.29Å; A450-S453 PolarHBondContact O-N 3.26Å; A450-F454 WeakPolarHBondContact O-CB 3.3Å; A450-F454 PolarHBondContact O-N 3.11Å
451	K	97.3	Very high	96.8	Very high	7 Å²	7	48.9 Å²	48.9	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-45.1	173.1	-73	174.7	176	-173.5	0	111.4	V398 K400 V403 L404 W431 I447 F448 S453 F454 Y455	V398-K451 WeakPolarHBondContact O-CD 3.35Å; V398-K451 PolarHBondContact O-NZ 3.32Å; K400-K451 PolarHBondContact O-NZ 3.41Å; V403-K451 WeakPolarHBondContact O-CE 3.39Å; V403-K451 PolarHBondContact O-NZ 2.7Å; L404-K451 HydrophobicContact CD2-CD 4.47Å; L404-K451 VanDerWaalsContact CD2-CE 3.47Å; L404-K451 HydrophobicContact CD2-CG 4.18Å; W431-K451 HydrophobicContact CH2-CB 4.37Å; W431-K451 HydrophobicContact CH2-CG 3.69Å; W431-K451 HydrophobicContact CZ2-CG 4.25Å; I447-K451 WeakPolarHBondContact O-CG 3.5Å; I447-K451 PolarHBondContact O-N 3.15Å; F448-K451 WeakPolarHBondContact O-CB 3.41Å; F448-K451 PolarHBondContact O-N 3.07Å; K451-S453 PolarHBondContact O-N 2.58Å; K451-F454 WeakPolarHBondContact O-CB 3.19Å; K451-F454 PolarHBondContact O-N 3.49Å; K451-Y455 HydrophobicContact CB-CE2 3.91Å; K451-Y455 WeakPolarHBondContact O-CD2 3.47Å; K451-Y455 WeakPolarHBondContact O-CE2 3.19Å; K451-Y455 PolarHBondContact O-N 3.1Å
452	K	96.2	Very high	96.9	Very high	77 Å²	77	49 Å²	49	34%	0.335	26%	0.255	S	S	.	.	H	α-helix	trans	-59.1	-47.4	176	-71.7	175.5	-177.4	167.1	0	111.8	F448 E449 A450 Y455 W456 V573	F448-K452 HydrophobicContact CE1-CD 4.41Å; F448-K452 VanDerWaalsContact CE1-NZ 3.31Å; F448-K452 PolarHBondContact O-N 2.92Å; F448-K452 VanDerWaalsContact O-N 3.09Å; E449-K452 PolarHBondContact O-N 3.47Å; E449-K452 IonicContact OE1-NZ 3.06Å; E449-K452 PolarHBondContact OE1-NZ 3.08Å; E449-K452 IonicContact OE2-NZ 4Å; A450-K452 VanDerWaalsContact C-N 3.35Å; A450-K452 PolarHBondContact O-N 3.29Å; K452-Y455 PolarHBondContact O-N 3.47Å; K452-W456 PolarHBondContact O-N 2.87Å; K452-V573 HydrophobicContact CD-CG1 4.49Å; K452-V573 HydrophobicContact CG-CG1 3.94Å; K452-V573 HydrophobicContact CG-CG2 4.46Å
453	S	97.3	Very high	96.9	Very high	48 Å²	48	43.2 Å²	43.2	34%	0.336	23%	0.232	S	C	.	.	H	α-helix	trans	-60.7	-45.6	177.7	-59.6	0	0	0	0	111.3	E449 A450 K451 Y455 W456 E457	E449-S453 PolarHBondContact O-N 3.36Å; E449-S453 PolarHBondContact O-OG 2.86Å; A450-S453 PolarHBondContact O-N 3.26Å; K451-S453 PolarHBondContact O-N 2.58Å; S453-Y455 PolarHBondContact O-N 3.43Å; S453-W456 PolarHBondContact O-N 2.9Å; S453-E457 WeakPolarHBondContact O-CG 3.33Å; S453-E457 PolarHBondContact O-N 3.46Å
454	F	98.1	Very high	97	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.009	22%	0.215	C	C	.	.	H	α-helix	trans	-56	-50.8	175	170.2	-107.1	0	0	0	112.1	L406 Y410 D427 L430 W431 L434 A450 K451 W456 R458	L406-F454 HydrophobicContact CD2-CE1 4.16Å; L406-F454 HydrophobicContact CD2-CZ 3.88Å; Y410-F454 HydrophobicContact CE1-CE1 4.18Å; D427-F454 HydrophobicContact CB-CE2 3.75Å; D427-F454 HydrophobicContact CB-CZ 4.04Å; D427-F454 WeakPolarHBondContact OD1-CE2 3.2Å; D427-F454 WeakPolarHBondContact OD1-CZ 3.21Å; L430-F454 HydrophobicContact CB-CD2 4.06Å; L430-F454 HydrophobicContact CD1-CD2 4.01Å; L430-F454 HydrophobicContact CD1-CE2 4.31Å; W431-F454 AromaticContact CD1-CD2 3.71Å; W431-F454 AromaticContact CD1-CE2 3.56Å; W431-F454 AromaticContact CE2-CD1 3.98Å; W431-F454 AromaticContact CE2-CD2 3.79Å; W431-F454 AromaticContact CE2-CG 3.67Å; W431-F454 HydrophobicContact CG-CD2 4.46Å; W431-F454 HydrophobicContact CH2-CB 4.38Å; W431-F454 HydrophobicContact CZ2-CB 3.83Å; W431-F454 AromaticContact CZ2-CD1 3.77Å; W431-F454 HydrophobicContact CZ2-CD1 3.77Å; W431-F454 HydrophobicContact CZ2-CD2 4.3Å; W431-F454 HydrophobicContact CZ2-CE1 4.41Å; W431-F454 AromaticContact CZ2-CG 3.7Å; W431-F454 HydrophobicContact CZ2-CG 3.7Å; W431-F454 AromaticContact NE1-CD1 3.72Å; W431-F454 AromaticContact NE1-CD2 3.21Å; W431-F454 AromaticContact NE1-CE1 3.7Å; W431-F454 AromaticContact NE1-CE2 3.19Å; W431-F454 AromaticContact NE1-CG 3.48Å; W431-F454 AromaticContact NE1-CZ 3.43Å; L434-F454 HydrophobicContact CD1-CB 3.88Å; A450-F454 WeakPolarHBondContact O-CB 3.3Å; A450-F454 PolarHBondContact O-N 3.11Å; K451-F454 WeakPolarHBondContact O-CB 3.19Å; K451-F454 PolarHBondContact O-N 3.49Å; F454-W456 VanDerWaalsContact C-N 3.3Å; F454-W456 PolarHBondContact O-N 3.24Å; F454-R458 VanDerWaalsContact CE1-CD 3.4Å; F454-R458 VanDerWaalsContact CZ-CD 3.42Å; F454-R458 WeakPolarHBondContact O-CB 3.47Å; F454-R458 WeakPolarHBondContact O-CD 3.24Å; F454-R458 WeakPolarHBondContact O-CG 3.23Å; F454-R458 PolarHBondContact O-N 3.45Å
455	Y	96.4	Very high	97.2	Very high	11 Å²	11	37.7 Å²	37.7	4%	0.043	20%	0.202	C	C	.	.	H	α-helix	trans	-61.4	-38.9	178.8	-57.3	-37.7	0	0	0	112.3	V398 Y410 K451 K452 S453 K459 Y571 V573	V398-Y455 PolarHBondContact N-OH 2.91Å; Y410-Y455 WeakPolarHBondContact OH-CE1 3.19Å; K451-Y455 HydrophobicContact CB-CE2 3.91Å; K451-Y455 WeakPolarHBondContact O-CD2 3.47Å; K451-Y455 WeakPolarHBondContact O-CE2 3.19Å; K451-Y455 PolarHBondContact O-N 3.1Å; K452-Y455 PolarHBondContact O-N 3.47Å; S453-Y455 PolarHBondContact O-N 3.43Å; Y455-K459 WeakPolarHBondContact O-CB 3.48Å; Y455-K459 WeakPolarHBondContact O-CD 3.45Å; Y455-K459 WeakPolarHBondContact O-CG 3.19Å; Y455-K459 PolarHBondContact O-N 2.96Å; Y455-Y571 AromaticContact CD1-CD1 3.89Å; Y455-Y571 HydrophobicContact CD1-CD1 3.89Å; Y455-Y571 AromaticContact CD1-CE1 3.57Å; Y455-Y571 HydrophobicContact CD1-CE1 3.57Å; Y455-Y571 HydrophobicContact CD2-CD1 4.06Å; Y455-Y571 HydrophobicContact CE1-CE1 4.36Å; Y455-Y571 AromaticContact CG-CD1 3.61Å; Y455-Y571 HydrophobicContact CG-CD1 3.61Å; Y455-Y571 AromaticContact CG-CE1 3.71Å; Y455-Y571 HydrophobicContact CG-CE1 3.71Å; Y455-Y571 HydrophobicContact CG-CG 4.43Å; Y455-V573 HydrophobicContact CD2-CG2 3.71Å; Y455-V573 HydrophobicContact CE2-CG2 3.91Å
456	W	96.1	Very high	97.3	Very high	170 Å²	170	34.7 Å²	34.7	64%	0.644	18%	0.176	S	C	*	.	H	α-helix	trans	-70.5	-47.6	-179.8	-163.3	-93.6	0	0	0	112.5	K452 S453 F454 K459 A460	K452-W456 PolarHBondContact O-N 2.87Å; S453-W456 PolarHBondContact O-N 2.9Å; F454-W456 VanDerWaalsContact C-N 3.3Å; F454-W456 PolarHBondContact O-N 3.24Å; W456-K459 WeakPolarHBondContact O-CG 3.32Å; W456-A460 WeakPolarHBondContact O-CB 3.45Å; W456-A460 PolarHBondContact O-N 2.73Å; W456-A460 VanDerWaalsContact O-N 3.15Å
457	E	97.3	Very high	97.3	Very high	72 Å²	72	33.4 Å²	33.4	34%	0.336	17%	0.166	S	C	.	.	H	α-helix	trans	-65.2	-41.7	-179.4	-71.5	-166.2	-144.1	0	0	111.9	L430 K433 S453 S461	L430-E457 HydrophobicContact CD1-CB 4.01Å; L430-E457 HydrophobicContact CD2-CB 4.15Å; L430-E457 WeakPolarHBondContact CD2-OE2 3.03Å; K433-E457 IonicContact NZ-OE1 3.47Å; S453-E457 WeakPolarHBondContact O-CG 3.33Å; S453-E457 PolarHBondContact O-N 3.46Å; E457-S461 PolarHBondContact O-OG 3.08Å
458	R	97.4	Very high	97.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-70.5	-40	-178.9	75.3	-169.4	-63.9	-76.3	-5.8	113.2	N411 D427 L430 F454 A460 S461 H462 S463 Y571	N411-R458 PolarHBondContact OD1-NH2 3.15Å; D427-R458 IonicContact OD1-CZ 2.65Å; D427-R458 IonicContact OD1-NE 3.43Å; D427-R458 PolarHBondContact OD1-NE 3.18Å; D427-R458 VanDerWaalsContact OD1-NE 3.14Å; D427-R458 IonicContact OD1-NH2 3.92Å; D427-R458 IonicContact OD2-NE 3.5Å; D427-R458 IonicContact OD2-NH2 3.9Å; L430-R458 HydrophobicContact CD1-CB 4.12Å; F454-R458 VanDerWaalsContact CE1-CD 3.4Å; F454-R458 VanDerWaalsContact CZ-CD 3.42Å; F454-R458 WeakPolarHBondContact O-CB 3.47Å; F454-R458 WeakPolarHBondContact O-CD 3.24Å; F454-R458 WeakPolarHBondContact O-CG 3.23Å; F454-R458 PolarHBondContact O-N 3.45Å; R458-A460 VanDerWaalsContact C-N 3.33Å; R458-S461 CarbonylContact O-C 3.33Å; R458-S461 PolarHBondContact O-N 2.86Å; R458-H462 PolarHBondContact O-N 2.95Å; R458-S463 VanDerWaalsContact CZ-OG 3.29Å; R458-S463 PolarHBondContact NH1-OG 2.66Å; R458-S463 PolarHBondContact NH2-OG 2.74Å; R458-S463 VanDerWaalsContact O-CB 3.29Å; R458-S463 WeakPolarHBondContact O-CB 3.2Å; R458-S463 PolarHBondContact O-N 2.89Å; R458-Y571 PolarHBondContact NH1-OH 3.3Å
459	K	95.1	Very high	97.4	Very high	42 Å²	42	32 Å²	32	18%	0.183	16%	0.161	C	C	.	.	H	α-helix	trans	-74.1	-24.9	180	81.7	-174.4	-177.3	-178.2	0	112.8	Y455 W456 S461 F464 Y571	Y455-K459 WeakPolarHBondContact O-CB 3.48Å; Y455-K459 WeakPolarHBondContact O-CD 3.45Å; Y455-K459 WeakPolarHBondContact O-CG 3.19Å; Y455-K459 PolarHBondContact O-N 2.96Å; W456-K459 WeakPolarHBondContact O-CG 3.32Å; K459-S461 PolarHBondContact O-N 2.84Å; K459-F464 WeakPolarHBondContact O-CB 3.48Å; K459-Y571 HydrophobicContact CB-CE2 3.82Å; K459-Y571 HydrophobicContact CD-CD2 3.7Å; K459-Y571 HydrophobicContact CD-CE2 3.67Å; K459-Y571 HydrophobicContact CG-CE2 4.35Å
460	A	96.2	Very high	97.4	Very high	59 Å²	59	27.5 Å²	27.5	49%	0.488	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.7	173.3	0	0	0	0	0	112.7	W456 R458 P516	W456-A460 WeakPolarHBondContact O-CB 3.45Å; W456-A460 PolarHBondContact O-N 2.73Å; W456-A460 VanDerWaalsContact O-N 3.15Å; R458-A460 VanDerWaalsContact C-N 3.33Å; A460-P516 WeakPolarHBondContact O-CD 3.34Å
461	S	96.8	Very high	97.4	Very high	32 Å²	32	27.4 Å²	27.4	22%	0.224	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.5	-109.7	-172.8	65.8	0	0	0	0	113	E457 R458 K459 V465	E457-S461 PolarHBondContact O-OG 3.08Å; R458-S461 CarbonylContact O-C 3.33Å; R458-S461 PolarHBondContact O-N 2.86Å; K459-S461 PolarHBondContact O-N 2.84Å; S461-V465 PolarHBondContact O-N 3.43Å
462	H	98.3	Very high	97.4	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.028	14%	0.139	C	C	.	.	H	α-helix	trans	-76	-32.8	-164.5	62.3	-80.2	0	0	0	114.2	K426 D427 R458 V466 V511 P514	K426-H462 HydrophobicContact CD-CB 3.42Å; K426-H462 VanDerWaalsContact CD-CB 3.42Å; K426-H462 VanDerWaalsContact CD-CG 3.49Å; D427-H462 IonicContact OD1-CE1 3.85Å; D427-H462 IonicContact OD1-NE2 3.77Å; D427-H462 PolarHBondContact OD1-NE2 2.81Å; R458-H462 PolarHBondContact O-N 2.95Å; H462-V466 VanDerWaalsContact O-CB 3.23Å; H462-V466 WeakPolarHBondContact O-CB 3.15Å; H462-V466 WeakPolarHBondContact O-CG2 3.3Å; H462-V466 PolarHBondContact O-N 3.46Å; H462-V511 HydrophobicContact CB-CG1 4.07Å; H462-P514 HydrophobicContact CB-CB 4.34Å; H462-P514 HydrophobicContact CB-CG 4.4Å
463	S	97.9	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.8	-49.7	175.8	-175.8	0	0	0	0	109.8	R458 V465 N467 E568	R458-S463 VanDerWaalsContact CZ-OG 3.29Å; R458-S463 PolarHBondContact NH1-OG 2.66Å; R458-S463 PolarHBondContact NH2-OG 2.74Å; R458-S463 VanDerWaalsContact O-CB 3.29Å; R458-S463 WeakPolarHBondContact O-CB 3.2Å; R458-S463 PolarHBondContact O-N 2.89Å; S463-V465 PolarHBondContact O-N 3.48Å; S463-N467 WeakPolarHBondContact O-CB 3.49Å; S463-N467 PolarHBondContact O-N 3.5Å; S463-N467 PolarHBondContact O-ND2 2.78Å; S463-N467 PolarHBondContact OG-ND2 3.28Å; S463-E568 WeakPolarHBondContact CB-OE2 3.39Å; S463-E568 PolarHBondContact OG-OE2 3.41Å
464	F	98.3	Very high	97.4	Very high	14 Å²	14	22.7 Å²	22.7	6%	0.061	11%	0.114	C	C	.	.	H	α-helix	trans	-58.4	-53.7	-179.3	-173.4	-78.5	0	0	0	111.3	K459 I468 P516 L519 I520 I565 E568	K459-F464 WeakPolarHBondContact O-CB 3.48Å; F464-I468 HydrophobicContact CD1-CD1 3.67Å; F464-I468 HydrophobicContact CD2-CD1 3.69Å; F464-I468 HydrophobicContact CE1-CD1 3.51Å; F464-I468 HydrophobicContact CE2-CD1 3.55Å; F464-I468 HydrophobicContact CG-CD1 3.75Å; F464-I468 HydrophobicContact CZ-CD1 3.45Å; F464-I468 VanDerWaalsContact CZ-CD1 3.45Å; F464-I468 VanDerWaalsContact O-CB 3.24Å; F464-I468 WeakPolarHBondContact O-CB 3.31Å; F464-I468 VanDerWaalsContact O-CG1 3.23Å; F464-I468 WeakPolarHBondContact O-CG1 3.34Å; F464-I468 PolarHBondContact O-N 3.43Å; F464-I468 VanDerWaalsContact O-N 3.14Å; F464-P516 HydrophobicContact CB-CG 4.23Å; F464-P516 HydrophobicContact CD1-CB 3.52Å; F464-P516 HydrophobicContact CD1-CG 3.78Å; F464-P516 HydrophobicContact CE1-CB 3.56Å; F464-P516 HydrophobicContact CE1-CG 4.33Å; F464-P516 HydrophobicContact CG-CB 4.1Å; F464-P516 HydrophobicContact CG-CG 4Å; F464-P516 HydrophobicContact CZ-CB 4.15Å; F464-L519 HydrophobicContact CD1-CD2 4.29Å; F464-L519 HydrophobicContact CE1-CD2 4.2Å; F464-I520 HydrophobicContact CE1-CD1 4.46Å; F464-I520 HydrophobicContact CZ-CD1 4.16Å; F464-I565 HydrophobicContact CE2-CG1 4.42Å; F464-I565 HydrophobicContact CE2-CG2 4.11Å; F464-I565 HydrophobicContact CZ-CG1 3.9Å; F464-I565 HydrophobicContact CZ-CG2 4.24Å; F464-E568 HydrophobicContact CD2-CB 3.85Å; F464-E568 HydrophobicContact CD2-CG 4.44Å; F464-E568 HydrophobicContact CE2-CB 4.48Å; F464-E568 PolarHBondContact N-OE2 2.67Å
465	V	98.4	Very high	97.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.8	-51	-176.6	172.1	0	0	0	0	111.6	S461 S463 N467 L469 L508 P514	S461-V465 PolarHBondContact O-N 3.43Å; S463-V465 PolarHBondContact O-N 3.48Å; V465-N467 PolarHBondContact O-N 2.88Å; V465-L469 WeakPolarHBondContact O-CB 3.47Å; V465-L469 PolarHBondContact O-N 2.89Å; V465-L508 HydrophobicContact CG1-CB 3.81Å; V465-L508 HydrophobicContact CG1-CD2 3.72Å; V465-L508 HydrophobicContact CG1-CG 4.34Å; V465-L508 HydrophobicContact CG2-CD2 4.12Å; V465-P514 HydrophobicContact CB-CB 4.05Å; V465-P514 HydrophobicContact CG1-CB 4.38Å; V465-P514 HydrophobicContact CG2-CB 4.11Å
466	V	98.3	Very high	97.2	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.024	13%	0.127	C	C	.	.	H	α-helix	trans	-67.1	-41.3	-173.1	177.1	0	0	0	0	111.4	R413 V423 H462 A470 V511	R413-V466 HydrophobicContact CG-CG1 4.21Å; V423-V466 HydrophobicContact CG2-CB 3.82Å; V423-V466 HydrophobicContact CG2-CG1 3.74Å; V423-V466 HydrophobicContact CG2-CG2 3.99Å; H462-V466 VanDerWaalsContact O-CB 3.23Å; H462-V466 WeakPolarHBondContact O-CB 3.15Å; H462-V466 WeakPolarHBondContact O-CG2 3.3Å; H462-V466 PolarHBondContact O-N 3.46Å; V466-A470 WeakPolarHBondContact O-CB 3.15Å; V466-A470 PolarHBondContact O-N 3.49Å; V466-A470 VanDerWaalsContact O-N 3.1Å; V466-V511 HydrophobicContact CG2-CB 4.33Å; V466-V511 HydrophobicContact CG2-CG1 3.69Å; V466-V511 HydrophobicContact CG2-CG2 3.57Å
467	N	98.1	Very high	97.1	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.011	10%	0.096	C	C	.	.	H	α-helix	trans	-72.7	-48.4	-175.8	-63.1	-9.5	0	0	0	111.6	N411 R413 S463 V465 A470 Q471 E568	N411-N467 PolarHBondContact ND2-ND2 3.44Å; N411-N467 PolarHBondContact OD1-ND2 3.47Å; R413-N467 HydrophobicContact CB-CB 4.48Å; R413-N467 PolarHBondContact NE-OD1 2.87Å; R413-N467 PolarHBondContact NH2-OD1 3.14Å; S463-N467 WeakPolarHBondContact O-CB 3.49Å; S463-N467 PolarHBondContact O-N 3.5Å; S463-N467 PolarHBondContact O-ND2 2.78Å; S463-N467 PolarHBondContact OG-ND2 3.28Å; V465-N467 PolarHBondContact O-N 2.88Å; N467-A470 PolarHBondContact O-N 2.98Å; N467-Q471 PolarHBondContact O-N 3.1Å; N467-E568 HydrophobicContact CB-CG 4.5Å; N467-E568 WeakPolarHBondContact CB-OE1 3.25Å; N467-E568 PolarHBondContact ND2-OE1 2.98Å
468	I	98.2	Very high	96.9	Very high	1 Å²	1	14 Å²	14	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-69	-45	-177.8	-62.2	174.9	0	0	0	110.1	F464 A470 Q471 A472 L519 I561 L564 I565 E568	F464-I468 HydrophobicContact CD1-CD1 3.67Å; F464-I468 HydrophobicContact CD2-CD1 3.69Å; F464-I468 HydrophobicContact CE1-CD1 3.51Å; F464-I468 HydrophobicContact CE2-CD1 3.55Å; F464-I468 HydrophobicContact CG-CD1 3.75Å; F464-I468 HydrophobicContact CZ-CD1 3.45Å; F464-I468 VanDerWaalsContact CZ-CD1 3.45Å; F464-I468 VanDerWaalsContact O-CB 3.24Å; F464-I468 WeakPolarHBondContact O-CB 3.31Å; F464-I468 VanDerWaalsContact O-CG1 3.23Å; F464-I468 WeakPolarHBondContact O-CG1 3.34Å; F464-I468 PolarHBondContact O-N 3.43Å; F464-I468 VanDerWaalsContact O-N 3.14Å; I468-A470 VanDerWaalsContact C-N 3.33Å; I468-A470 PolarHBondContact O-N 2.78Å; I468-Q471 PolarHBondContact O-N 3.26Å; I468-A472 WeakPolarHBondContact O-CB 3.29Å; I468-A472 PolarHBondContact O-N 3.35Å; I468-L519 HydrophobicContact CB-CD2 3.92Å; I468-L519 HydrophobicContact CG2-CD2 3.9Å; I468-I561 HydrophobicContact CG2-CD1 3.34Å; I468-I561 HydrophobicContact CG2-CG1 4.38Å; I468-L564 HydrophobicContact CB-CB 4.46Å; I468-L564 HydrophobicContact CG1-CB 4.12Å; I468-L564 HydrophobicContact CG2-CB 4.03Å; I468-L564 HydrophobicContact CG2-CD1 4.4Å; I468-I565 HydrophobicContact CD1-CB 4.42Å; I468-I565 HydrophobicContact CD1-CG1 3.93Å; I468-E568 HydrophobicContact CD1-CB 4.28Å; I468-E568 HydrophobicContact CD1-CG 3.87Å; I468-E568 HydrophobicContact CG1-CG 3.81Å
469	L	98.1	Very high	96.6	Very high	25 Å²	25	14.4 Å²	14.4	13%	0.131	9%	0.085	C	C	.	.	H	α-helix	trans	-59.6	-45	177.3	-179.8	62.8	0	0	0	111.1	T417 V465 Q471 L473 L508 L509 L519	T417-L469 HydrophobicContact CG2-CG 4.45Å; V465-L469 WeakPolarHBondContact O-CB 3.47Å; V465-L469 PolarHBondContact O-N 2.89Å; L469-Q471 PolarHBondContact O-N 3.29Å; L469-L473 HydrophobicContact CD1-CB 4.48Å; L469-L473 WeakPolarHBondContact O-CB 3.37Å; L469-L473 PolarHBondContact O-N 2.95Å; L469-L508 HydrophobicContact CD2-CB 4Å; L469-L509 HydrophobicContact CD2-CB 4.41Å; L469-L519 HydrophobicContact CB-CD1 4.14Å; L469-L519 HydrophobicContact CD1-CD1 3.92Å
470	A	97.6	Very high	96.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.2	-47	-179.8	0	0	0	0	0	112.7	R413 H414 T417 V466 N467 I468 Y474	R413-A470 HydrophobicContact CB-CB 3.93Å; R413-A470 HydrophobicContact CG-CB 3.8Å; H414-A470 HydrophobicContact CB-CB 4.38Å; H414-A470 WeakPolarHBondContact O-CB 3.15Å; T417-A470 HydrophobicContact CG2-CB 4.31Å; T417-A470 WeakPolarHBondContact OG1-CB 3.37Å; V466-A470 WeakPolarHBondContact O-CB 3.15Å; V466-A470 PolarHBondContact O-N 3.49Å; V466-A470 VanDerWaalsContact O-N 3.1Å; N467-A470 PolarHBondContact O-N 2.98Å; I468-A470 VanDerWaalsContact C-N 3.33Å; I468-A470 PolarHBondContact O-N 2.78Å; A470-Y474 WeakPolarHBondContact O-CB 3.43Å; A470-Y474 PolarHBondContact O-N 2.92Å; A470-Y474 VanDerWaalsContact O-N 3.1Å
471	Q	97.9	Very high	96	Very high	4 Å²	4	17 Å²	17	2%	0.019	10%	0.096	C	C	.	.	H	α-helix	trans	-73.5	-46.8	-179.2	-63.8	-56.1	-15.6	0	0	112.3	F392 N467 I468 L469 L473 Y474 E475 L564	F392-Q471 HydrophobicContact CD2-CG 3.81Å; F392-Q471 HydrophobicContact CE2-CG 3.88Å; F392-Q471 HydrophobicContact CG-CG 4.24Å; F392-Q471 VanDerWaalsContact CG-NE2 3.3Å; F392-Q471 HydrophobicContact CZ-CG 4.39Å; N467-Q471 PolarHBondContact O-N 3.1Å; I468-Q471 PolarHBondContact O-N 3.26Å; L469-Q471 PolarHBondContact O-N 3.29Å; Q471-L473 VanDerWaalsContact C-N 3.35Å; Q471-L473 PolarHBondContact O-N 2.99Å; Q471-Y474 PolarHBondContact O-N 3.49Å; Q471-E475 WeakPolarHBondContact O-CG 3.28Å; Q471-E475 PolarHBondContact O-N 3.04Å; Q471-L564 HydrophobicContact CB-CD1 3.69Å; Q471-L564 HydrophobicContact CB-CD2 3.55Å; Q471-L564 HydrophobicContact CB-CG 4.28Å; Q471-L564 HydrophobicContact CG-CD2 3.89Å
472	A	97.2	Very high	95.8	Very high	4 Å²	4	21.7 Å²	21.7	3%	0.033	12%	0.119	C	C	.	.	H	α-helix	trans	-61.4	-45.3	-179.7	0	0	0	0	0	111.1	I468 Y474 E475 L476 F523 V560 I561 L564	I468-A472 WeakPolarHBondContact O-CB 3.29Å; I468-A472 PolarHBondContact O-N 3.35Å; A472-Y474 VanDerWaalsContact C-N 3.34Å; A472-Y474 PolarHBondContact O-N 3.39Å; A472-E475 PolarHBondContact O-N 3.39Å; A472-L476 WeakPolarHBondContact O-CB 3.29Å; A472-L476 WeakPolarHBondContact O-CD1 3.45Å; A472-L476 PolarHBondContact O-N 3.24Å; A472-F523 HydrophobicContact CB-CD2 4.41Å; A472-F523 HydrophobicContact CB-CE2 4.02Å; A472-V560 HydrophobicContact CB-CG1 3.99Å; A472-I561 HydrophobicContact CB-CD1 4.08Å; A472-L564 HydrophobicContact CB-CD1 3.96Å
473	L	96	Very high	95.6	Very high	28 Å²	28	22.5 Å²	22.5	15%	0.147	13%	0.125	C	C	.	.	H	α-helix	trans	-67.1	-37.1	178.9	-163.2	67.8	0	0	0	111.8	L416 T417 L469 Q471 L476 F477	L416-L473 HydrophobicContact CD2-CB 4.42Å; L416-L473 HydrophobicContact CD2-CD2 4.44Å; L416-L473 HydrophobicContact CD2-CG 4.31Å; T417-L473 HydrophobicContact CG2-CD2 4.1Å; L469-L473 HydrophobicContact CD1-CB 4.48Å; L469-L473 WeakPolarHBondContact O-CB 3.37Å; L469-L473 PolarHBondContact O-N 2.95Å; Q471-L473 VanDerWaalsContact C-N 3.35Å; Q471-L473 PolarHBondContact O-N 2.99Å; L473-L476 PolarHBondContact O-N 3.42Å; L473-F477 HydrophobicContact CD1-CD1 4.44Å; L473-F477 HydrophobicContact CD1-CD2 4.21Å; L473-F477 HydrophobicContact CD1-CE1 3.86Å; L473-F477 HydrophobicContact CD1-CE2 3.57Å; L473-F477 HydrophobicContact CD1-CZ 3.39Å; L473-F477 HydrophobicContact CD2-CD2 4.34Å; L473-F477 HydrophobicContact CD2-CE2 3.76Å; L473-F477 HydrophobicContact CD2-CZ 4.36Å; L473-F477 HydrophobicContact CG-CD2 3.79Å; L473-F477 HydrophobicContact CG-CE1 4.47Å; L473-F477 HydrophobicContact CG-CE2 3.46Å; L473-F477 VanDerWaalsContact CG-CE2 3.46Å; L473-F477 HydrophobicContact CG-CG 4.41Å; L473-F477 HydrophobicContact CG-CZ 3.86Å; L473-F477 WeakPolarHBondContact O-CB 3.3Å; L473-F477 WeakPolarHBondContact O-CG 3.48Å; L473-F477 PolarHBondContact O-N 3.46Å
474	Y	97.3	Very high	95.3	Very high	1 Å²	1	23 Å²	23	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-64	-49	174	170.2	-107.8	0	0	0	111.8	S303 S304 D347 R349 H414 A470 Q471 A472 L476 F477 S478	S303-Y474 PolarHBondContact O-OH 3.41Å; S304-Y474 WeakPolarHBondContact CB-OH 3.35Å; S304-Y474 PolarHBondContact OG-OH 2.66Å; D347-Y474 WeakPolarHBondContact OD2-CE2 3.43Å; R349-Y474 PolarHBondContact NH1-OH 2.84Å; H414-Y474 HydrophobicContact CB-CG 4.44Å; H414-Y474 AromaticContact CD2-CD1 3.58Å; H414-Y474 AromaticContact CD2-CD2 3.62Å; H414-Y474 AromaticContact CD2-CE1 3.91Å; H414-Y474 AromaticContact CD2-CE2 3.93Å; H414-Y474 AromaticContact CD2-CG 3.43Å; H414-Y474 VanDerWaalsContact CD2-CG 3.43Å; H414-Y474 AromaticContact CE1-CD2 3.32Å; H414-Y474 WeakPolarHBondContact CE1-CD2 3.41Å; H414-Y474 AromaticContact CE1-CE2 3.78Å; H414-Y474 AromaticContact CE1-CG 3.82Å; H414-Y474 AromaticContact CG-CD2 3.97Å; H414-Y474 AromaticContact CG-CG 3.64Å; H414-Y474 AromaticContact ND1-CD2 3.78Å; H414-Y474 AromaticContact ND1-CG 3.84Å; H414-Y474 AromaticContact NE2-CD2 3.22Å; H414-Y474 WeakPolarHBondContact NE2-CD2 3.24Å; H414-Y474 AromaticContact NE2-CE2 3.31Å; H414-Y474 VanDerWaalsContact NE2-CE2 3.31Å; H414-Y474 WeakPolarHBondContact NE2-CE2 3.38Å; H414-Y474 AromaticContact NE2-CG 3.6Å; H414-Y474 AromaticContact NE2-CZ 3.77Å; A470-Y474 WeakPolarHBondContact O-CB 3.43Å; A470-Y474 PolarHBondContact O-N 2.92Å; A470-Y474 VanDerWaalsContact O-N 3.1Å; Q471-Y474 PolarHBondContact O-N 3.49Å; A472-Y474 VanDerWaalsContact C-N 3.34Å; A472-Y474 PolarHBondContact O-N 3.39Å; Y474-L476 PolarHBondContact O-N 3.31Å; Y474-F477 PolarHBondContact O-N 2.98Å; Y474-F477 VanDerWaalsContact O-N 3.11Å; Y474-S478 WeakPolarHBondContact O-CB 3.42Å; Y474-S478 PolarHBondContact O-N 3.42Å; Y474-S478 PolarHBondContact O-OG 3.37Å; Y474-S478 VanDerWaalsContact O-OG 3.08Å
475	E	95.6	Very high	95.1	Very high	61 Å²	61	24.2 Å²	24.2	29%	0.285	13%	0.134	S	C	.	.	H	α-helix	trans	-58.5	-38	177.6	-73.4	-173.1	-149.3	0	0	112.2	Q471 A472 V560	Q471-E475 WeakPolarHBondContact O-CG 3.28Å; Q471-E475 PolarHBondContact O-N 3.04Å; A472-E475 PolarHBondContact O-N 3.39Å; E475-V560 HydrophobicContact CB-CG1 4.29Å; E475-V560 WeakPolarHBondContact OE2-CG2 3.4Å
476	L	94.3	Very high	95	Very high	7 Å²	7	27.4 Å²	27.4	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-67.7	-46.1	173.5	-92.5	63.5	0	0	0	112	A472 L473 Y474 A479 L484 L487 R488 F523 V560	A472-L476 WeakPolarHBondContact O-CB 3.29Å; A472-L476 WeakPolarHBondContact O-CD1 3.45Å; A472-L476 PolarHBondContact O-N 3.24Å; L473-L476 PolarHBondContact O-N 3.42Å; Y474-L476 PolarHBondContact O-N 3.31Å; L476-A479 VanDerWaalsContact O-CB 3.28Å; L476-A479 WeakPolarHBondContact O-CB 3.41Å; L476-A479 PolarHBondContact O-N 2.92Å; L476-L484 HydrophobicContact CD1-CD2 4.01Å; L476-L487 HydrophobicContact CD2-CB 4.16Å; L476-L487 HydrophobicContact CG-CB 4.07Å; L476-R488 WeakPolarHBondContact O-CB 3.28Å; L476-F523 HydrophobicContact CD1-CE2 4.35Å; L476-V560 HydrophobicContact CD1-CG1 4.42Å
477	F	94.9	Very high	94.9	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.009	15%	0.148	C	C	.	.	H	α-helix	trans	-79.6	-24.9	-173.9	-69.5	-8.7	0	0	0	113.8	L324 L326 P331 L416 L473 Y474 A479 R488 C491	L324-F477 HydrophobicContact CD2-CD2 4.07Å; L324-F477 HydrophobicContact CD2-CE2 3.62Å; L326-F477 HydrophobicContact CD2-CB 4.31Å; L326-F477 HydrophobicContact CD2-CD1 3.9Å; L326-F477 HydrophobicContact CD2-CD2 3.71Å; L326-F477 HydrophobicContact CD2-CE1 4.06Å; L326-F477 HydrophobicContact CD2-CE2 3.9Å; L326-F477 HydrophobicContact CD2-CG 3.71Å; L326-F477 HydrophobicContact CD2-CZ 4.05Å; P331-F477 HydrophobicContact CB-CB 4.46Å; P331-F477 HydrophobicContact CG-CB 4.25Å; L416-F477 HydrophobicContact CD2-CD2 4.1Å; L473-F477 HydrophobicContact CD1-CD1 4.44Å; L473-F477 HydrophobicContact CD1-CD2 4.21Å; L473-F477 HydrophobicContact CD1-CE1 3.86Å; L473-F477 HydrophobicContact CD1-CE2 3.57Å; L473-F477 HydrophobicContact CD1-CZ 3.39Å; L473-F477 HydrophobicContact CD2-CD2 4.34Å; L473-F477 HydrophobicContact CD2-CE2 3.76Å; L473-F477 HydrophobicContact CD2-CZ 4.36Å; L473-F477 HydrophobicContact CG-CD2 3.79Å; L473-F477 HydrophobicContact CG-CE1 4.47Å; L473-F477 HydrophobicContact CG-CE2 3.46Å; L473-F477 VanDerWaalsContact CG-CE2 3.46Å; L473-F477 HydrophobicContact CG-CG 4.41Å; L473-F477 HydrophobicContact CG-CZ 3.86Å; L473-F477 WeakPolarHBondContact O-CB 3.3Å; L473-F477 WeakPolarHBondContact O-CG 3.48Å; L473-F477 PolarHBondContact O-N 3.46Å; Y474-F477 PolarHBondContact O-N 2.98Å; Y474-F477 VanDerWaalsContact O-N 3.11Å; F477-A479 VanDerWaalsContact C-N 3.31Å; F477-R488 HydrophobicContact CD1-CG 4.06Å; F477-R488 PolarHBondContact O-NH1 2.86Å; F477-C491 HydrophobicContact CE1-CB 4.43Å
478	S	93.8	Very high	94.8	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.014	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	29.6	171.2	81.3	0	0	0	0	112.3	P329 R349 Y474 T480	P329-S478 CarbonylContact O-C 3.58Å; P329-S478 WeakPolarHBondContact O-CA 3.49Å; R349-S478 PolarHBondContact NH1-OG 3.33Å; Y474-S478 WeakPolarHBondContact O-CB 3.42Å; Y474-S478 PolarHBondContact O-N 3.42Å; Y474-S478 PolarHBondContact O-OG 3.37Å; Y474-S478 VanDerWaalsContact O-OG 3.08Å; S478-T480 PolarHBondContact O-N 3.2Å
479	A	90.7	Very high	94.7	Very high	9 Å²	9	30.8 Å²	30.8	7%	0.074	16%	0.163	C	C	.	.			trans	-59	130.1	-173.9	0	0	0	0	0	112.2	L476 F477 L484 H485	L476-A479 VanDerWaalsContact O-CB 3.28Å; L476-A479 WeakPolarHBondContact O-CB 3.41Å; L476-A479 PolarHBondContact O-N 2.92Å; F477-A479 VanDerWaalsContact C-N 3.31Å; A479-L484 HydrophobicContact CB-CB 3.41Å; A479-L484 VanDerWaalsContact CB-CB 3.41Å; A479-H485 HydrophobicContact CB-CB 4.5Å
480	T	88.3	Confident	94.7	Very high	112 Å²	112	29.7 Å²	29.7	69%	0.687	16%	0.157	S	C	*	.			trans	-112.5	-11.5	171.8	59.1	0	0	0	0	113	S478	S478-T480 PolarHBondContact O-N 3.2Å
481	D	90.9	Very high	94.7	Very high	43 Å²	43	30 Å²	30	23%	0.23	16%	0.159	C	C	.	.	S	Bend	trans	-108.1	151	175.5	70.1	79.3	0	0	0	111.6	S483 L484 H485 K556	D481-S483 PolarHBondContact O-N 2.67Å; D481-S483 WeakPolarHBondContact OD1-CB 3.44Å; D481-S483 PolarHBondContact OD1-N 2.99Å; D481-L484 PolarHBondContact O-N 3.45Å; D481-L484 PolarHBondContact OD1-N 3.28Å; D481-L484 WeakPolarHBondContact OD2-CD1 3.5Å; D481-L484 WeakPolarHBondContact OD2-CG 3.28Å; D481-H485 PolarHBondContact O-N 3.03Å; D481-K556 WeakPolarHBondContact OD2-CE 3.47Å; D481-K556 IonicContact OD2-NZ 2.9Å; D481-K556 PolarHBondContact OD2-NZ 3.34Å
482	D	91.4	Very high	94.7	Very high	131 Å²	131	30 Å²	30	70%	0.701	16%	0.159	S	C	*	.	H	α-helix	trans	-60.3	-32.5	-173.6	-64	-28.5	0	0	0	113	H485 Q486	D482-H485 PolarHBondContact O-N 2.83Å; D482-Q486 VanDerWaalsContact O-CG 3.31Å; D482-Q486 WeakPolarHBondContact O-CG 3.46Å; D482-Q486 PolarHBondContact O-N 2.96Å
483	S	93.8	Very high	94.7	Very high	23 Å²	23	32.4 Å²	32.4	16%	0.161	17%	0.171	C	C	.	.	H	α-helix	trans	-71	-43.9	-179.5	-62	0	0	0	0	111.2	D481 H485 Q486 L487	D481-S483 PolarHBondContact O-N 2.67Å; D481-S483 WeakPolarHBondContact OD1-CB 3.44Å; D481-S483 PolarHBondContact OD1-N 2.99Å; S483-H485 VanDerWaalsContact C-N 3.31Å; S483-Q486 PolarHBondContact O-N 3.38Å; S483-L487 WeakPolarHBondContact O-CG 3.35Å; S483-L487 PolarHBondContact O-N 3.49Å
484	L	92.7	Very high	94.8	Very high	10 Å²	10	32.1 Å²	32.1	5%	0.052	17%	0.169	C	C	.	.	H	α-helix	trans	-65.5	-35.2	171.8	-70.1	179.1	0	0	0	111.8	L476 A479 D481 Q486 L487 R488 K556 V560	L476-L484 HydrophobicContact CD1-CD2 4.01Å; A479-L484 HydrophobicContact CB-CB 3.41Å; A479-L484 VanDerWaalsContact CB-CB 3.41Å; D481-L484 PolarHBondContact O-N 3.45Å; D481-L484 PolarHBondContact OD1-N 3.28Å; D481-L484 WeakPolarHBondContact OD2-CD1 3.5Å; D481-L484 WeakPolarHBondContact OD2-CG 3.28Å; L484-Q486 VanDerWaalsContact C-N 3.34Å; L484-Q486 PolarHBondContact O-N 2.82Å; L484-L487 HydrophobicContact CD2-CD1 4.05Å; L484-L487 WeakPolarHBondContact O-CB 3.21Å; L484-L487 PolarHBondContact O-N 3.43Å; L484-R488 WeakPolarHBondContact O-CB 3.32Å; L484-R488 PolarHBondContact O-N 3.15Å; L484-K556 HydrophobicContact CD2-CD 4.49Å; L484-K556 HydrophobicContact CD2-CG 3.63Å; L484-K556 HydrophobicContact CG-CD 4.33Å; L484-K556 HydrophobicContact CG-CG 3.76Å; L484-V560 HydrophobicContact CD2-CG2 3.92Å
485	H	94.4	Very high	94.9	Very high	40 Å²	40	33.3 Å²	33.3	19%	0.185	17%	0.174	C	C	.	.	H	α-helix	trans	-64	-40	175	-163.6	58.6	0	0	0	111.8	E201 A479 D481 D482 S483 R488 K489	E201-H485 IonicContact OE2-CD2 2.64Å; E201-H485 IonicContact OE2-CE1 3.85Å; E201-H485 PolarHBondContact OE2-CE1 3.41Å; E201-H485 IonicContact OE2-NE2 3.28Å; E201-H485 PolarHBondContact OE2-NE2 2.87Å; A479-H485 HydrophobicContact CB-CB 4.5Å; D481-H485 PolarHBondContact O-N 3.03Å; D482-H485 PolarHBondContact O-N 2.83Å; S483-H485 VanDerWaalsContact C-N 3.31Å; H485-R488 WeakPolarHBondContact O-CB 3.4Å; H485-R488 PolarHBondContact O-N 3.32Å; H485-K489 VanDerWaalsContact CD2-CE 3.49Å; H485-K489 WeakPolarHBondContact CD2-CE 3.44Å; H485-K489 WeakPolarHBondContact NE2-CE 3.36Å; H485-K489 WeakPolarHBondContact O-CG 3.22Å; H485-K489 PolarHBondContact O-N 3.11Å
486	Q	94.8	Very high	94.9	Very high	66 Å²	66	34.9 Å²	34.9	31%	0.308	18%	0.179	S	C	.	.	H	α-helix	trans	-63.2	-41.2	172.2	-73.7	175.9	4.1	0	0	112.1	D482 S483 L484 K489 A490 C534 V553	D482-Q486 VanDerWaalsContact O-CG 3.31Å; D482-Q486 WeakPolarHBondContact O-CG 3.46Å; D482-Q486 PolarHBondContact O-N 2.96Å; S483-Q486 PolarHBondContact O-N 3.38Å; L484-Q486 VanDerWaalsContact C-N 3.34Å; L484-Q486 PolarHBondContact O-N 2.82Å; Q486-K489 PolarHBondContact O-N 3.41Å; Q486-A490 WeakPolarHBondContact O-CB 3.46Å; Q486-A490 PolarHBondContact O-N 3.42Å; Q486-C534 PolarHBondContact OE1-SG 2.89Å; Q486-V553 HydrophobicContact CB-CG2 4.28Å
487	L	96.5	Very high	95.1	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-40.7	174.5	-74.2	165.9	0	0	0	112.1	L476 S483 L484 A490 C491 A527 A530 V553 A557	L476-L487 HydrophobicContact CD2-CB 4.16Å; L476-L487 HydrophobicContact CG-CB 4.07Å; S483-L487 WeakPolarHBondContact O-CG 3.35Å; S483-L487 PolarHBondContact O-N 3.49Å; L484-L487 HydrophobicContact CD2-CD1 4.05Å; L484-L487 WeakPolarHBondContact O-CB 3.21Å; L484-L487 PolarHBondContact O-N 3.43Å; L487-A490 PolarHBondContact O-N 2.88Å; L487-C491 VanDerWaalsContact O-CB 3.29Å; L487-C491 WeakPolarHBondContact O-CB 3.35Å; L487-C491 PolarHBondContact O-N 3.26Å; L487-A527 HydrophobicContact CD2-CB 4.03Å; L487-A530 HydrophobicContact CD2-CB 3.93Å; L487-V553 HydrophobicContact CD2-CG1 3.84Å; L487-V553 HydrophobicContact CG-CG1 4.1Å; L487-A557 HydrophobicContact CD1-CB 4.19Å; L487-A557 HydrophobicContact CD2-CB 4.46Å
488	R	96.6	Very high	95.1	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-59.3	-50	174.1	174.8	178.2	159.9	170.2	-16.9	111.7	L326 A327 L476 F477 L484 H485 A490 C491 F492	L326-R488 PolarHBondContact O-NH2 3.3Å; A327-R488 PolarHBondContact O-NH1 3.06Å; A327-R488 PolarHBondContact O-NH2 3.33Å; L476-R488 WeakPolarHBondContact O-CB 3.28Å; F477-R488 HydrophobicContact CD1-CG 4.06Å; F477-R488 PolarHBondContact O-NH1 2.86Å; L484-R488 WeakPolarHBondContact O-CB 3.32Å; L484-R488 PolarHBondContact O-N 3.15Å; H485-R488 WeakPolarHBondContact O-CB 3.4Å; H485-R488 PolarHBondContact O-N 3.32Å; R488-A490 PolarHBondContact O-N 3.03Å; R488-C491 WeakPolarHBondContact O-CB 3.46Å; R488-C491 PolarHBondContact O-N 3.43Å; R488-F492 PolarHBondContact O-N 2.98Å
489	K	96.1	Very high	95.3	Very high	75 Å²	75	43.1 Å²	43.1	33%	0.326	24%	0.244	S	C	.	.	H	α-helix	trans	-58.1	-48.3	175.6	-73.7	176.2	175.4	179.2	0	111.8	E201 H485 Q486 C491 F492 L493	E201-K489 VanDerWaalsContact CD-NZ 3.32Å; E201-K489 WeakPolarHBondContact OE1-CE 3.32Å; E201-K489 IonicContact OE1-NZ 3.08Å; E201-K489 PolarHBondContact OE1-NZ 2.87Å; E201-K489 WeakPolarHBondContact OE2-CE 3.41Å; E201-K489 IonicContact OE2-NZ 3.91Å; E201-K489 PolarHBondContact OE2-NZ 3.48Å; H485-K489 VanDerWaalsContact CD2-CE 3.49Å; H485-K489 WeakPolarHBondContact CD2-CE 3.44Å; H485-K489 WeakPolarHBondContact NE2-CE 3.36Å; H485-K489 WeakPolarHBondContact O-CG 3.22Å; H485-K489 PolarHBondContact O-N 3.11Å; Q486-K489 PolarHBondContact O-N 3.41Å; K489-C491 VanDerWaalsContact C-N 3.29Å; K489-C491 PolarHBondContact O-N 3.2Å; K489-F492 PolarHBondContact O-N 3.35Å; K489-L493 WeakPolarHBondContact O-CG 3.48Å; K489-L493 PolarHBondContact O-N 3.38Å
490	A	97.5	Very high	95.6	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-38.3	178.5	0	0	0	0	0	111.7	Q486 L487 R488 L493 Y494 V526 Y529 A530	Q486-A490 WeakPolarHBondContact O-CB 3.46Å; Q486-A490 PolarHBondContact O-N 3.42Å; L487-A490 PolarHBondContact O-N 2.88Å; R488-A490 PolarHBondContact O-N 3.03Å; A490-L493 PolarHBondContact O-N 3.37Å; A490-Y494 WeakPolarHBondContact O-CB 3.37Å; A490-Y494 PolarHBondContact O-N 3.09Å; A490-V526 HydrophobicContact CB-CG1 4.3Å; A490-Y529 HydrophobicContact CB-CD1 4.46Å; A490-A530 HydrophobicContact CB-CB 3.56Å
491	C	97.9	Very high	96	Very high	7 Å²	7	44.9 Å²	44.9	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-61.8	-47.2	176	-175.1	0	0	0	0	111.6	F477 L487 R488 K489 Y494 F495 V526	F477-C491 HydrophobicContact CE1-CB 4.43Å; L487-C491 VanDerWaalsContact O-CB 3.29Å; L487-C491 WeakPolarHBondContact O-CB 3.35Å; L487-C491 PolarHBondContact O-N 3.26Å; R488-C491 WeakPolarHBondContact O-CB 3.46Å; R488-C491 PolarHBondContact O-N 3.43Å; K489-C491 VanDerWaalsContact C-N 3.29Å; K489-C491 PolarHBondContact O-N 3.2Å; C491-Y494 WeakPolarHBondContact O-CB 3.25Å; C491-Y494 PolarHBondContact O-N 3.01Å; C491-F495 VanDerWaalsContact O-CD2 3.3Å; C491-F495 WeakPolarHBondContact O-CD2 3.49Å; C491-F495 PolarHBondContact O-N 3.34Å; C491-V526 HydrophobicContact CB-CG1 3.84Å
492	F	97.8	Very high	96.3	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.013	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-46.1	176.2	176.4	-103.6	0	0	0	112.3	I197 D199 S204 V206 L326 R488 K489 Y494 F495 K496	I197-F492 HydrophobicContact CG2-CD2 3.95Å; I197-F492 HydrophobicContact CG2-CE2 4.17Å; D199-F492 HydrophobicContact CB-CD1 3.86Å; D199-F492 HydrophobicContact CB-CD2 3.87Å; D199-F492 HydrophobicContact CB-CE1 3.61Å; D199-F492 HydrophobicContact CB-CE2 3.62Å; D199-F492 HydrophobicContact CB-CG 3.98Å; D199-F492 HydrophobicContact CB-CZ 3.49Å; D199-F492 VanDerWaalsContact CB-CZ 3.49Å; S204-F492 WeakPolarHBondContact O-CZ 3.42Å; S204-F492 WeakPolarHBondContact OG-CE1 3.38Å; S204-F492 WeakPolarHBondContact OG-CZ 3.39Å; V206-F492 HydrophobicContact CB-CE2 4.35Å; V206-F492 HydrophobicContact CG1-CD2 4.04Å; V206-F492 HydrophobicContact CG1-CE2 3.72Å; L326-F492 HydrophobicContact CD1-CB 4.19Å; L326-F492 HydrophobicContact CD1-CD2 4.14Å; L326-F492 HydrophobicContact CD1-CG 4.45Å; R488-F492 PolarHBondContact O-N 2.98Å; K489-F492 PolarHBondContact O-N 3.35Å; F492-Y494 VanDerWaalsContact C-N 3.29Å; F492-Y494 PolarHBondContact O-N 3.41Å; F492-F495 PolarHBondContact O-N 3.38Å; F492-K496 HydrophobicContact CE1-CD 4.29Å; F492-K496 VanDerWaalsContact CZ-CE 3.43Å; F492-K496 PolarHBondContact O-N 2.64Å
493	L	97.9	Very high	96.6	Very high	56 Å²	56	39.8 Å²	39.8	29%	0.293	23%	0.225	S	C	.	.	H	α-helix	trans	-67.5	-30.4	177.5	-66	174.1	0	0	0	112.5	K489 A490 F495 K496 L497 Y529 F533	K489-L493 WeakPolarHBondContact O-CG 3.48Å; K489-L493 PolarHBondContact O-N 3.38Å; A490-L493 PolarHBondContact O-N 3.37Å; L493-F495 VanDerWaalsContact C-N 3.33Å; L493-F495 PolarHBondContact O-N 3.28Å; L493-K496 HydrophobicContact CD2-CD 4.45Å; L493-K496 WeakPolarHBondContact O-CB 2.81Å; L493-K496 PolarHBondContact O-N 3.21Å; L493-K496 VanDerWaalsContact O-N 3.1Å; L493-L497 PolarHBondContact O-N 2.92Å; L493-Y529 HydrophobicContact CB-CE1 3.87Å; L493-F533 HydrophobicContact CB-CE2 4.24Å; L493-F533 HydrophobicContact CB-CZ 4.4Å; L493-F533 HydrophobicContact CD1-CD2 4.4Å; L493-F533 HydrophobicContact CD1-CE1 4.11Å; L493-F533 HydrophobicContact CD1-CE2 3.61Å; L493-F533 HydrophobicContact CD1-CZ 3.45Å; L493-F533 VanDerWaalsContact CD1-CZ 3.45Å
494	Y	98.3	Very high	96.7	Very high	22 Å²	22	39.1 Å²	39.1	9%	0.086	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-41.8	176.2	-176.1	-99.7	0	0	0	110.8	A490 C491 F492 K496 L497 C501 P505 H522 A525 V526 Y529	A490-Y494 WeakPolarHBondContact O-CB 3.37Å; A490-Y494 PolarHBondContact O-N 3.09Å; C491-Y494 WeakPolarHBondContact O-CB 3.25Å; C491-Y494 PolarHBondContact O-N 3.01Å; F492-Y494 VanDerWaalsContact C-N 3.29Å; F492-Y494 PolarHBondContact O-N 3.41Å; Y494-K496 PolarHBondContact O-N 3.02Å; Y494-L497 HydrophobicContact CD2-CD1 4.04Å; Y494-L497 HydrophobicContact CE2-CD1 4.5Å; Y494-L497 VanDerWaalsContact O-CB 3.29Å; Y494-L497 WeakPolarHBondContact O-CB 3.14Å; Y494-L497 PolarHBondContact O-N 3.38Å; Y494-L497 VanDerWaalsContact O-N 3.07Å; Y494-C501 HydrophobicContact CD1-CB 3.83Å; Y494-C501 HydrophobicContact CD2-CB 4.4Å; Y494-C501 VanDerWaalsContact CE1-CA 3.49Å; Y494-C501 HydrophobicContact CE1-CB 3.5Å; Y494-C501 VanDerWaalsContact CE1-CB 3.5Å; Y494-C501 WeakPolarHBondContact CE1-O 3.41Å; Y494-C501 HydrophobicContact CE2-CB 4.1Å; Y494-C501 HydrophobicContact CG-CB 4.27Å; Y494-C501 VanDerWaalsContact CZ-SG 3.53Å; Y494-C501 VanDerWaalsContact O-CB 3.24Å; Y494-C501 WeakPolarHBondContact O-CB 3.37Å; Y494-P505 HydrophobicContact CE1-CG 4.37Å; Y494-H522 AromaticContact CE1-ND1 3.72Å; Y494-H522 AromaticContact CZ-ND1 3.68Å; Y494-H522 PolarHBondContact OH-CE1 2.88Å; Y494-H522 PolarHBondContact OH-ND1 3.36Å; Y494-A525 HydrophobicContact CE2-CB 3.99Å; Y494-V526 HydrophobicContact CD1-CG2 3.82Å; Y494-V526 HydrophobicContact CD2-CG2 4.22Å; Y494-V526 HydrophobicContact CE1-CG2 4.32Å; Y494-V526 HydrophobicContact CG-CG2 3.76Å; Y494-Y529 HydrophobicContact CD2-CD1 4.19Å
495	F	97.9	Very high	97	Very high	25 Å²	25	39.8 Å²	39.8	11%	0.11	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-32.8	173.8	-61.5	-45.1	0	0	0	112.6	I197 V206 I208 C491 F492 L493 L497 G498 C501 V502 P505	I197-F495 HydrophobicContact CD1-CD2 3.91Å; I197-F495 HydrophobicContact CD1-CE2 3.84Å; V206-F495 HydrophobicContact CG1-CB 4.03Å; V206-F495 HydrophobicContact CG2-CB 4.02Å; I208-F495 HydrophobicContact CD1-CB 3.9Å; I208-F495 HydrophobicContact CD1-CD1 4.16Å; I208-F495 HydrophobicContact CD1-CD2 4.28Å; I208-F495 HydrophobicContact CD1-CG 3.87Å; C491-F495 VanDerWaalsContact O-CD2 3.3Å; C491-F495 WeakPolarHBondContact O-CD2 3.49Å; C491-F495 PolarHBondContact O-N 3.34Å; F492-F495 PolarHBondContact O-N 3.38Å; L493-F495 VanDerWaalsContact C-N 3.33Å; L493-F495 PolarHBondContact O-N 3.28Å; F495-L497 PolarHBondContact O-N 2.9Å; F495-G498 PolarHBondContact O-N 3.23Å; F495-C501 WeakPolarHBondContact CD1-O 3.4Å; F495-V502 HydrophobicContact CB-CG2 4.32Å; F495-V502 WeakPolarHBondContact O-CG2 3.4Å; F495-P505 HydrophobicContact CE1-CB 3.81Å; F495-P505 HydrophobicContact CE1-CG 4.1Å
496	K	97.4	Very high	97.1	Very high	94 Å²	94	38.1 Å²	38.1	41%	0.409	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.8	176.2	-66.8	-166.9	174.1	-173.2	0	114.2	S204 V206 F492 L493 Y494 G498	S204-K496 VanDerWaalsContact CB-NZ 3.29Å; S204-K496 PolarHBondContact OG-NZ 3.35Å; V206-K496 HydrophobicContact CB-CG 4.21Å; V206-K496 HydrophobicContact CG2-CG 4.24Å; F492-K496 HydrophobicContact CE1-CD 4.29Å; F492-K496 VanDerWaalsContact CZ-CE 3.43Å; F492-K496 PolarHBondContact O-N 2.64Å; L493-K496 HydrophobicContact CD2-CD 4.45Å; L493-K496 WeakPolarHBondContact O-CB 2.81Å; L493-K496 PolarHBondContact O-N 3.21Å; L493-K496 VanDerWaalsContact O-N 3.1Å; Y494-K496 PolarHBondContact O-N 3.02Å; K496-G498 PolarHBondContact O-N 3.49Å
497	L	97.4	Very high	97.3	Very high	96 Å²	96	35.3 Å²	35.3	50%	0.503	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-18.6	173.3	-60.2	177	0	0	0	112.6	L493 Y494 F495 C501 Y529	L493-L497 PolarHBondContact O-N 2.92Å; Y494-L497 HydrophobicContact CD2-CD1 4.04Å; Y494-L497 HydrophobicContact CE2-CD1 4.5Å; Y494-L497 VanDerWaalsContact O-CB 3.29Å; Y494-L497 WeakPolarHBondContact O-CB 3.14Å; Y494-L497 PolarHBondContact O-N 3.38Å; Y494-L497 VanDerWaalsContact O-N 3.07Å; F495-L497 PolarHBondContact O-N 2.9Å; L497-C501 HydrophobicContact CB-CB 4.06Å; L497-Y529 HydrophobicContact CD1-CE1 4.05Å; L497-Y529 HydrophobicContact CG-CE1 4.48Å
498	G	95.8	Very high	97.3	Very high	29 Å²	29	35.4 Å²	35.4	30%	0.299	21%	0.209	S	C	.	.			trans	67.9	-169.8	179.4	0	0	0	0	0	114	F495 K496 E500 C501	F495-G498 PolarHBondContact O-N 3.23Å; K496-G498 PolarHBondContact O-N 3.49Å; G498-E500 PolarHBondContact O-N 2.86Å; G498-C501 VanDerWaalsContact O-CB 3.31Å; G498-C501 WeakPolarHBondContact O-CB 3.48Å; G498-C501 PolarHBondContact O-N 3.03Å; G498-C501 VanDerWaalsContact O-N 3.14Å
499	G	97.1	Very high	97.4	Very high	60 Å²	60	36.8 Å²	36.8	62%	0.619	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	-134.4	-178.6	0	0	0	0	0	112.7	C501 V502 A503	G499-C501 PolarHBondContact O-N 2.7Å; G499-V502 PolarHBondContact O-N 3.11Å; G499-A503 PolarHBondContact O-N 3.14Å
500	E	97	Very high	97.5	Very high	134 Å²	134	33.2 Å²	33.2	63%	0.626	20%	0.201	S	C	*	.	H	α-helix	trans	-61.3	-22.4	178.3	-69.1	-54.9	127.9	0	0	113.8	G498 V502 G504 P505 H522	G498-E500 PolarHBondContact O-N 2.86Å; E500-V502 PolarHBondContact O-N 3.21Å; E500-G504 PolarHBondContact O-N 3.47Å; E500-G504 VanDerWaalsContact O-N 3.09Å; E500-P505 VanDerWaalsContact O-CD 3.32Å; E500-P505 WeakPolarHBondContact O-CD 3.31Å; E500-H522 PolarHBondContact O-CE1 2.94Å
501	C	97.2	Very high	97.5	Very high	24 Å²	24	33.2 Å²	33.2	16%	0.162	20%	0.201	C	C	.	.	H	α-helix	trans	-67.6	-14	175.5	-54	0	0	0	0	112.5	Y494 F495 L497 G498 G499 P505	Y494-C501 HydrophobicContact CD1-CB 3.83Å; Y494-C501 HydrophobicContact CD2-CB 4.4Å; Y494-C501 VanDerWaalsContact CE1-CA 3.49Å; Y494-C501 HydrophobicContact CE1-CB 3.5Å; Y494-C501 VanDerWaalsContact CE1-CB 3.5Å; Y494-C501 WeakPolarHBondContact CE1-O 3.41Å; Y494-C501 HydrophobicContact CE2-CB 4.1Å; Y494-C501 HydrophobicContact CG-CB 4.27Å; Y494-C501 VanDerWaalsContact CZ-SG 3.53Å; Y494-C501 VanDerWaalsContact O-CB 3.24Å; Y494-C501 WeakPolarHBondContact O-CB 3.37Å; F495-C501 WeakPolarHBondContact CD1-O 3.4Å; L497-C501 HydrophobicContact CB-CB 4.06Å; G498-C501 VanDerWaalsContact O-CB 3.31Å; G498-C501 WeakPolarHBondContact O-CB 3.48Å; G498-C501 PolarHBondContact O-N 3.03Å; G498-C501 VanDerWaalsContact O-N 3.14Å; G499-C501 PolarHBondContact O-N 2.7Å; C501-P505 WeakPolarHBondContact O-CG 3.19Å
502	V	97.4	Very high	97.5	Very high	17 Å²	17	34.7 Å²	34.7	10%	0.103	21%	0.208	C	C	.	.	H	α-helix	trans	-111.7	-48.3	171.2	179.2	0	0	0	0	110.8	I208 F495 G499 E500 G504 P505 V506	I208-V502 HydrophobicContact CD1-CG1 4.08Å; I208-V502 HydrophobicContact CG2-CG1 4.28Å; F495-V502 HydrophobicContact CB-CG2 4.32Å; F495-V502 WeakPolarHBondContact O-CG2 3.4Å; G499-V502 PolarHBondContact O-N 3.11Å; E500-V502 PolarHBondContact O-N 3.21Å; V502-G504 PolarHBondContact O-N 2.9Å; V502-P505 WeakPolarHBondContact O-CD 3.28Å; V502-V506 WeakPolarHBondContact O-CB 3.16Å; V502-V506 VanDerWaalsContact O-CG1 3.26Å; V502-V506 WeakPolarHBondContact O-CG1 3.39Å; V502-V506 PolarHBondContact O-N 3.21Å
503	A	96.6	Very high	97.4	Very high	49 Å²	49	38.2 Å²	38.2	41%	0.405	23%	0.233	S	C	.	.	H	α-helix	trans	-60.8	-42.4	-174.8	0	0	0	0	0	113.1	G499 V506 G507	G499-A503 PolarHBondContact O-N 3.14Å; A503-V506 VanDerWaalsContact O-CG1 3.29Å; A503-V506 WeakPolarHBondContact O-CG1 3.31Å; A503-G507 PolarHBondContact O-N 2.83Å; A503-G507 VanDerWaalsContact O-N 3.1Å
504	G	97.3	Very high	97.4	Very high	10 Å²	10	36.7 Å²	36.7	10%	0.103	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-59	176	0	0	0	0	0	112.1	E500 V502 V506 G507 L508	E500-G504 PolarHBondContact O-N 3.47Å; E500-G504 VanDerWaalsContact O-N 3.09Å; V502-G504 PolarHBondContact O-N 2.9Å; G504-V506 VanDerWaalsContact C-N 3.34Å; G504-V506 PolarHBondContact O-N 2.99Å; G504-G507 PolarHBondContact O-N 3.37Å; G504-G507 VanDerWaalsContact O-N 3.11Å; G504-L508 PolarHBondContact O-N 3.48Å
505	P	97.9	Very high	97.4	Very high	23 Å²	23	39.1 Å²	39.1	15%	0.149	24%	0.241	C	C	.	.	H	α-helix	trans	-57.9	-38.4	178	-30	38.4	0	0	0	114.6	Y494 F495 E500 C501 V502 G507 L508 L509 H522	Y494-P505 HydrophobicContact CE1-CG 4.37Å; F495-P505 HydrophobicContact CE1-CB 3.81Å; F495-P505 HydrophobicContact CE1-CG 4.1Å; E500-P505 VanDerWaalsContact O-CD 3.32Å; E500-P505 WeakPolarHBondContact O-CD 3.31Å; C501-P505 WeakPolarHBondContact O-CG 3.19Å; V502-P505 WeakPolarHBondContact O-CD 3.28Å; P505-G507 VanDerWaalsContact C-N 3.33Å; P505-G507 PolarHBondContact O-N 2.91Å; P505-L508 WeakPolarHBondContact O-CB 3Å; P505-L508 PolarHBondContact O-N 3.46Å; P505-L509 PolarHBondContact O-N 2.94Å; P505-H522 HydrophobicContact CG-CB 4.3Å
506	V	97.4	Very high	97.4	Very high	5 Å²	5	39 Å²	39	3%	0.03	24%	0.243	C	C	.	.	H	α-helix	trans	-68.1	-33.4	177.2	75.2	0	0	0	0	111.9	I208 F210 V502 A503 G504 L508 L509 S510	I208-V506 HydrophobicContact CG2-CB 3.94Å; I208-V506 HydrophobicContact CG2-CG2 3.78Å; F210-V506 HydrophobicContact CD1-CG2 3.67Å; F210-V506 HydrophobicContact CE1-CG2 4.14Å; V502-V506 WeakPolarHBondContact O-CB 3.16Å; V502-V506 VanDerWaalsContact O-CG1 3.26Å; V502-V506 WeakPolarHBondContact O-CG1 3.39Å; V502-V506 PolarHBondContact O-N 3.21Å; A503-V506 VanDerWaalsContact O-CG1 3.29Å; A503-V506 WeakPolarHBondContact O-CG1 3.31Å; G504-V506 VanDerWaalsContact C-N 3.34Å; G504-V506 PolarHBondContact O-N 2.99Å; V506-L508 VanDerWaalsContact C-N 3.27Å; V506-L508 PolarHBondContact O-N 2.95Å; V506-L509 PolarHBondContact O-N 3.41Å; V506-S510 VanDerWaalsContact O-CB 3.23Å; V506-S510 WeakPolarHBondContact O-CB 3.45Å; V506-S510 PolarHBondContact O-N 3.49Å; V506-S510 PolarHBondContact O-OG 2.87Å
507	G	97.4	Very high	97.4	Very high	7 Å²	7	40.9 Å²	40.9	7%	0.072	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-33.9	172.1	0	0	0	0	0	113.2	A503 G504 P505 S510 V511 L512 S513	A503-G507 PolarHBondContact O-N 2.83Å; A503-G507 VanDerWaalsContact O-N 3.1Å; G504-G507 PolarHBondContact O-N 3.37Å; G504-G507 VanDerWaalsContact O-N 3.11Å; P505-G507 VanDerWaalsContact C-N 3.33Å; P505-G507 PolarHBondContact O-N 2.91Å; G507-S510 PolarHBondContact O-OG 3.3Å; G507-V511 PolarHBondContact O-N 2.9Å; G507-L512 PolarHBondContact O-N 3.34Å; G507-S513 PolarHBondContact O-N 2.92Å; G507-S513 VanDerWaalsContact O-N 3.08Å
508	L	98.3	Very high	97.4	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-74.2	-48.8	174.4	-57.4	171.9	0	0	0	111.8	V465 L469 G504 P505 V506 V511 V518 L519	V465-L508 HydrophobicContact CG1-CB 3.81Å; V465-L508 HydrophobicContact CG1-CD2 3.72Å; V465-L508 HydrophobicContact CG1-CG 4.34Å; V465-L508 HydrophobicContact CG2-CD2 4.12Å; L469-L508 HydrophobicContact CD2-CB 4Å; G504-L508 PolarHBondContact O-N 3.48Å; P505-L508 WeakPolarHBondContact O-CB 3Å; P505-L508 PolarHBondContact O-N 3.46Å; V506-L508 VanDerWaalsContact C-N 3.27Å; V506-L508 PolarHBondContact O-N 2.95Å; L508-V511 PolarHBondContact O-N 3.08Å; L508-V511 VanDerWaalsContact O-N 3.12Å; L508-V518 HydrophobicContact CD1-CG1 4.24Å; L508-V518 HydrophobicContact CD2-CB 4.29Å; L508-V518 HydrophobicContact CD2-CG1 4.19Å; L508-V518 HydrophobicContact CG-CG1 4.31Å; L508-L519 VanDerWaalsContact CD1-CA 3.49Å; L508-L519 HydrophobicContact CD1-CB 3.84Å; L508-L519 HydrophobicContact CD1-CD1 3.99Å; L508-L519 HydrophobicContact CD2-CB 4.24Å
509	L	97.6	Very high	97.6	Very high	32 Å²	32	37.5 Å²	37.5	17%	0.168	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-46.4	-179.8	177.1	64.1	0	0	0	111.9	Q168 Y195 T417 L469 P505 V506 V511	Q168-L509 VanDerWaalsContact CD-O 3.3Å; Q168-L509 PolarHBondContact NE2-O 2.88Å; Y195-L509 HydrophobicContact CD2-CD2 4.04Å; Y195-L509 HydrophobicContact CE2-CD2 3.84Å; T417-L509 HydrophobicContact CG2-CD1 3.91Å; L469-L509 HydrophobicContact CD2-CB 4.41Å; P505-L509 PolarHBondContact O-N 2.94Å; V506-L509 PolarHBondContact O-N 3.41Å; L509-V511 PolarHBondContact O-N 3Å
510	S	97.9	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-12.7	177.4	63	0	0	0	0	113.4	G170 V506 G507 L512	G170-S510 WeakPolarHBondContact CA-O 3.34Å; G170-S510 PolarHBondContact N-O 3.4Å; V506-S510 VanDerWaalsContact O-CB 3.23Å; V506-S510 WeakPolarHBondContact O-CB 3.45Å; V506-S510 PolarHBondContact O-N 3.49Å; V506-S510 PolarHBondContact O-OG 2.87Å; G507-S510 PolarHBondContact O-OG 3.3Å; S510-L512 PolarHBondContact O-N 2.86Å; S510-L512 WeakPolarHBondContact OG-CD1 3.29Å
511	V	98.3	Very high	97.7	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	25	-176.9	-152	0	0	0	0	113.3	T422 K426 H462 V466 G507 L508 L509 P514	T422-V511 HydrophobicContact CG2-CB 3.79Å; T422-V511 HydrophobicContact CG2-CG1 4Å; T422-V511 HydrophobicContact CG2-CG2 3.87Å; K426-V511 HydrophobicContact CD-CG1 4.28Å; K426-V511 PolarHBondContact NZ-O 3.32Å; H462-V511 HydrophobicContact CB-CG1 4.07Å; V466-V511 HydrophobicContact CG2-CB 4.33Å; V466-V511 HydrophobicContact CG2-CG1 3.69Å; V466-V511 HydrophobicContact CG2-CG2 3.57Å; G507-V511 PolarHBondContact O-N 2.9Å; L508-V511 PolarHBondContact O-N 3.08Å; L508-V511 VanDerWaalsContact O-N 3.12Å; L509-V511 PolarHBondContact O-N 3Å; V511-P514 HydrophobicContact CG1-CB 3.95Å; V511-P514 HydrophobicContact CG1-CG 4.25Å
512	L	97.7	Very high	97.7	Very high	37 Å²	37	33 Å²	33	19%	0.194	21%	0.207	C	C	.	.	S	Bend	trans	-76.5	-39.9	171.3	-70.2	167.8	0	0	0	110.7	P169 P211 Q219 G507 S510 P514	P169-L512 HydrophobicContact CB-CD1 3.83Å; P169-L512 HydrophobicContact CB-CD2 4.14Å; P169-L512 HydrophobicContact CB-CG 4.01Å; P211-L512 HydrophobicContact CG-CD1 3.47Å; P211-L512 VanDerWaalsContact CG-CD1 3.47Å; Q219-L512 HydrophobicContact CB-CD1 3.72Å; Q219-L512 HydrophobicContact CG-CD1 4.43Å; G507-L512 PolarHBondContact O-N 3.34Å; S510-L512 PolarHBondContact O-N 2.86Å; S510-L512 WeakPolarHBondContact OG-CD1 3.29Å; L512-P514 VanDerWaalsContact C-CD 3.43Å; L512-P514 WeakPolarHBondContact O-CD 3.25Å
513	S	96.6	Very high	97.8	Very high	77 Å²	77	33.3 Å²	33.3	54%	0.538	21%	0.207	S	C	.	.	S	Bend	trans	-124.1	65	179.7	-58.8	0	0	0	0	111.4	G507 N515	G507-S513 PolarHBondContact O-N 2.92Å; G507-S513 VanDerWaalsContact O-N 3.08Å; S513-N515 VanDerWaalsContact C-N 3.28Å; S513-N515 PolarHBondContact O-N 3.39Å
514	P	97.3	Very high	97.8	Very high	24 Å²	24	33.5 Å²	33.5	16%	0.156	20%	0.199	C	C	.	.			trans	-76.7	75.1	-174.7	34.1	-37	0	0	0	111.8	H462 V465 V511 L512	H462-P514 HydrophobicContact CB-CB 4.34Å; H462-P514 HydrophobicContact CB-CG 4.4Å; V465-P514 HydrophobicContact CB-CB 4.05Å; V465-P514 HydrophobicContact CG1-CB 4.38Å; V465-P514 HydrophobicContact CG2-CB 4.11Å; V511-P514 HydrophobicContact CG1-CB 3.95Å; V511-P514 HydrophobicContact CG1-CG 4.25Å; L512-P514 VanDerWaalsContact C-CD 3.43Å; L512-P514 WeakPolarHBondContact O-CD 3.25Å
515	N	98.1	Very high	97.9	Very high	73 Å²	73	34.7 Å²	34.7	39%	0.39	21%	0.208	S	C	.	.			trans	-101	116.8	177.8	-174.8	-28.4	0	0	0	111.4	S513 L517 V518 L519	S513-N515 VanDerWaalsContact C-N 3.28Å; S513-N515 PolarHBondContact O-N 3.39Å; N515-L517 VanDerWaalsContact C-N 3.3Å; N515-L517 PolarHBondContact O-N 3.11Å; N515-L517 PolarHBondContact OD1-N 3.27Å; N515-V518 HydrophobicContact CB-CB 4.1Å; N515-V518 HydrophobicContact CB-CG2 3.8Å; N515-V518 PolarHBondContact O-N 2.94Å; N515-L519 PolarHBondContact O-N 3.26Å
516	P	97.8	Very high	97.9	Very high	24 Å²	24	34.2 Å²	34.2	16%	0.156	20%	0.204	C	C	.	.	H	α-helix	trans	-52.4	-39.6	177.2	-32.5	38.9	0	0	0	115.4	A460 F464 L519 I520	A460-P516 WeakPolarHBondContact O-CD 3.34Å; F464-P516 HydrophobicContact CB-CG 4.23Å; F464-P516 HydrophobicContact CD1-CB 3.52Å; F464-P516 HydrophobicContact CD1-CG 3.78Å; F464-P516 HydrophobicContact CE1-CB 3.56Å; F464-P516 HydrophobicContact CE1-CG 4.33Å; F464-P516 HydrophobicContact CG-CB 4.1Å; F464-P516 HydrophobicContact CG-CG 4Å; F464-P516 HydrophobicContact CZ-CB 4.15Å; P516-L519 PolarHBondContact O-N 3.3Å; P516-I520 WeakPolarHBondContact O-CG1 3.5Å; P516-I520 PolarHBondContact O-N 3.13Å
517	L	97.9	Very high	97.9	Very high	132 Å²	132	34 Å²	34	69%	0.691	20%	0.203	S	C	*	.	H	α-helix	trans	-70.8	-34.9	-177.5	-63.4	179.3	0	0	0	111.9	N515 I520 G521	N515-L517 VanDerWaalsContact C-N 3.3Å; N515-L517 PolarHBondContact O-N 3.11Å; N515-L517 PolarHBondContact OD1-N 3.27Å; L517-I520 PolarHBondContact O-N 2.86Å; L517-G521 PolarHBondContact O-N 3.47Å
518	V	98.1	Very high	97.9	Very high	49 Å²	49	38 Å²	38	30%	0.297	23%	0.226	S	C	.	.	H	α-helix	trans	-66	-42.5	175.7	175.5	0	0	0	0	109.8	L508 N515 G521 H522	L508-V518 HydrophobicContact CD1-CG1 4.24Å; L508-V518 HydrophobicContact CD2-CB 4.29Å; L508-V518 HydrophobicContact CD2-CG1 4.19Å; L508-V518 HydrophobicContact CG-CG1 4.31Å; N515-V518 HydrophobicContact CB-CB 4.1Å; N515-V518 HydrophobicContact CB-CG2 3.8Å; N515-V518 PolarHBondContact O-N 2.94Å; V518-G521 PolarHBondContact O-N 2.91Å; V518-H522 PolarHBondContact O-CD2 3.4Å; V518-H522 VanDerWaalsContact O-CD2 3.22Å; V518-H522 PolarHBondContact O-N 3.33Å
519	L	98.1	Very high	97.9	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-58.5	-51.6	174	174.4	61.5	0	0	0	112.1	F464 I468 L469 L508 N515 P516 G521 H522 F523	F464-L519 HydrophobicContact CD1-CD2 4.29Å; F464-L519 HydrophobicContact CE1-CD2 4.2Å; I468-L519 HydrophobicContact CB-CD2 3.92Å; I468-L519 HydrophobicContact CG2-CD2 3.9Å; L469-L519 HydrophobicContact CB-CD1 4.14Å; L469-L519 HydrophobicContact CD1-CD1 3.92Å; L508-L519 VanDerWaalsContact CD1-CA 3.49Å; L508-L519 HydrophobicContact CD1-CB 3.84Å; L508-L519 HydrophobicContact CD1-CD1 3.99Å; L508-L519 HydrophobicContact CD2-CB 4.24Å; N515-L519 PolarHBondContact O-N 3.26Å; P516-L519 PolarHBondContact O-N 3.3Å; L519-G521 VanDerWaalsContact C-N 3.32Å; L519-G521 PolarHBondContact O-N 2.99Å; L519-H522 PolarHBondContact O-N 2.91Å; L519-F523 VanDerWaalsContact O-CB 3.28Å; L519-F523 WeakPolarHBondContact O-CB 3.38Å; L519-F523 PolarHBondContact O-N 2.85Å
520	I	97.9	Very high	97.9	Very high	50 Å²	50	38.7 Å²	38.7	26%	0.256	23%	0.227	S	C	.	.	H	α-helix	trans	-60.6	-44.9	179.6	-66.7	167.8	0	0	0	110.3	F464 P516 L517 F523 F524 I565	F464-I520 HydrophobicContact CE1-CD1 4.46Å; F464-I520 HydrophobicContact CZ-CD1 4.16Å; P516-I520 WeakPolarHBondContact O-CG1 3.5Å; P516-I520 PolarHBondContact O-N 3.13Å; L517-I520 PolarHBondContact O-N 2.86Å; I520-F523 PolarHBondContact O-N 2.85Å; I520-F524 HydrophobicContact CG2-CD2 3.8Å; I520-F524 HydrophobicContact CG2-CE2 4.01Å; I520-F524 WeakPolarHBondContact O-CD2 3.38Å; I520-F524 PolarHBondContact O-N 2.93Å; I520-I565 HydrophobicContact CD1-CD1 4.2Å; I520-I565 HydrophobicContact CG1-CD1 4.18Å
521	G	98.3	Very high	97.9	Very high	43 Å²	43	40.4 Å²	40.4	44%	0.443	24%	0.235	S	C	.	.	H	α-helix	trans	-58.5	-53	179.4	0	0	0	0	0	112.7	L517 V518 L519 F523 F524 A525	L517-G521 PolarHBondContact O-N 3.47Å; V518-G521 PolarHBondContact O-N 2.91Å; L519-G521 VanDerWaalsContact C-N 3.32Å; L519-G521 PolarHBondContact O-N 2.99Å; G521-F523 PolarHBondContact O-N 3.33Å; G521-F524 PolarHBondContact O-N 2.87Å; G521-A525 WeakPolarHBondContact O-CB 3.18Å; G521-A525 PolarHBondContact O-N 3.33Å
522	H	98.4	Very high	97.9	Very high	29 Å²	29	45.8 Å²	45.8	13%	0.134	26%	0.256	C	S	.	.	H	α-helix	trans	-66.8	-36.4	178.6	-75.2	-68.3	0	0	0	112.8	Y494 E500 P505 V518 L519 A525 V526	Y494-H522 AromaticContact CE1-ND1 3.72Å; Y494-H522 AromaticContact CZ-ND1 3.68Å; Y494-H522 PolarHBondContact OH-CE1 2.88Å; Y494-H522 PolarHBondContact OH-ND1 3.36Å; E500-H522 PolarHBondContact O-CE1 2.94Å; P505-H522 HydrophobicContact CG-CB 4.3Å; V518-H522 PolarHBondContact O-CD2 3.4Å; V518-H522 VanDerWaalsContact O-CD2 3.22Å; V518-H522 PolarHBondContact O-N 3.33Å; L519-H522 PolarHBondContact O-N 2.91Å; H522-A525 PolarHBondContact O-N 3.41Å; H522-V526 WeakPolarHBondContact O-CG2 3.44Å; H522-V526 PolarHBondContact O-N 3.35Å
523	F	98.2	Very high	97.8	Very high	24 Å²	24	46.3 Å²	46.3	11%	0.105	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-49.3	176.5	-177.7	-90.2	0	0	0	111.5	A472 L476 L519 I520 G521 V526 A527 A557 V560 I561	A472-F523 HydrophobicContact CB-CD2 4.41Å; A472-F523 HydrophobicContact CB-CE2 4.02Å; L476-F523 HydrophobicContact CD1-CE2 4.35Å; L519-F523 VanDerWaalsContact O-CB 3.28Å; L519-F523 WeakPolarHBondContact O-CB 3.38Å; L519-F523 PolarHBondContact O-N 2.85Å; I520-F523 PolarHBondContact O-N 2.85Å; G521-F523 PolarHBondContact O-N 3.33Å; F523-V526 PolarHBondContact O-N 2.9Å; F523-A527 PolarHBondContact O-N 3.48Å; F523-A527 VanDerWaalsContact O-N 3.1Å; F523-A557 HydrophobicContact CE1-CB 3.94Å; F523-A557 WeakPolarHBondContact CE1-O 3.34Å; F523-A557 HydrophobicContact CZ-CB 4.24Å; F523-A557 WeakPolarHBondContact CZ-O 3.34Å; F523-V560 HydrophobicContact CZ-CB 4.46Å; F523-I561 HydrophobicContact CD1-CB 3.95Å; F523-I561 HydrophobicContact CD1-CD1 4.22Å; F523-I561 HydrophobicContact CD1-CG1 3.95Å; F523-I561 HydrophobicContact CD1-CG2 4.05Å; F523-I561 HydrophobicContact CD2-CD1 3.93Å; F523-I561 HydrophobicContact CE1-CB 3.51Å; F523-I561 HydrophobicContact CE1-CD1 4.36Å; F523-I561 HydrophobicContact CE1-CG1 4.04Å; F523-I561 HydrophobicContact CE1-CG2 3.63Å; F523-I561 HydrophobicContact CE2-CB 4.4Å; F523-I561 HydrophobicContact CE2-CD1 4.08Å; F523-I561 HydrophobicContact CG-CD1 4Å; F523-I561 HydrophobicContact CG-CG1 4.23Å; F523-I561 HydrophobicContact CZ-CB 3.76Å; F523-I561 HydrophobicContact CZ-CD1 4.29Å; F523-I561 HydrophobicContact CZ-CG1 4.37Å; F523-I561 HydrophobicContact CZ-CG2 4.32Å
524	F	98.1	Very high	97.8	Very high	53 Å²	53	42.9 Å²	42.9	23%	0.232	23%	0.233	C	C	.	.	H	α-helix	trans	-72.8	-27.8	177.3	-78.8	-72.4	0	0	0	113.1	I520 G521 V526 A527 V528 I561 F562	I520-F524 HydrophobicContact CG2-CD2 3.8Å; I520-F524 HydrophobicContact CG2-CE2 4.01Å; I520-F524 WeakPolarHBondContact O-CD2 3.38Å; I520-F524 PolarHBondContact O-N 2.93Å; G521-F524 PolarHBondContact O-N 2.87Å; F524-V526 VanDerWaalsContact C-N 3.34Å; F524-A527 PolarHBondContact O-N 3.4Å; F524-V528 WeakPolarHBondContact O-CG2 3.42Å; F524-V528 PolarHBondContact O-N 3.5Å; F524-I561 HydrophobicContact CE2-CG2 4.17Å; F524-I561 HydrophobicContact CZ-CG2 3.88Å; F524-F562 HydrophobicContact CE2-CE1 4.33Å; F524-F562 AromaticContact CZ-CE1 3.8Å; F524-F562 HydrophobicContact CZ-CE1 3.8Å; F524-F562 HydrophobicContact CZ-CZ 4.22Å
525	A	98.4	Very high	97.7	Very high	35 Å²	35	45.7 Å²	45.7	29%	0.289	24%	0.243	S	C	.	.	H	α-helix	trans	-61.5	-43.3	171	0	0	0	0	0	111.4	Y494 G521 H522 V528 Y529	Y494-A525 HydrophobicContact CE2-CB 3.99Å; G521-A525 WeakPolarHBondContact O-CB 3.18Å; G521-A525 PolarHBondContact O-N 3.33Å; H522-A525 PolarHBondContact O-N 3.41Å; A525-V528 PolarHBondContact O-N 3.36Å; A525-Y529 WeakPolarHBondContact O-CB 3.28Å; A525-Y529 PolarHBondContact O-N 2.92Å
526	V	98.3	Very high	97.6	Very high	13 Å²	13	48.3 Å²	48.3	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-42.1	173.3	170.7	0	0	0	0	111.3	A490 C491 Y494 H522 F523 F524 Y529 A530	A490-V526 HydrophobicContact CB-CG1 4.3Å; C491-V526 HydrophobicContact CB-CG1 3.84Å; Y494-V526 HydrophobicContact CD1-CG2 3.82Å; Y494-V526 HydrophobicContact CD2-CG2 4.22Å; Y494-V526 HydrophobicContact CE1-CG2 4.32Å; Y494-V526 HydrophobicContact CG-CG2 3.76Å; H522-V526 WeakPolarHBondContact O-CG2 3.44Å; H522-V526 PolarHBondContact O-N 3.35Å; F523-V526 PolarHBondContact O-N 2.9Å; F524-V526 VanDerWaalsContact C-N 3.34Å; V526-Y529 PolarHBondContact O-N 3.49Å; V526-A530 PolarHBondContact O-N 2.74Å
527	A	97.7	Very high	97.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-43.8	177.4	0	0	0	0	0	112.6	L487 F523 F524 Y529 A530 I531 A557	L487-A527 HydrophobicContact CD2-CB 4.03Å; F523-A527 PolarHBondContact O-N 3.48Å; F523-A527 VanDerWaalsContact O-N 3.1Å; F524-A527 PolarHBondContact O-N 3.4Å; A527-Y529 VanDerWaalsContact C-N 3.3Å; A527-Y529 PolarHBondContact O-N 2.86Å; A527-A530 WeakPolarHBondContact O-CB 3.47Å; A527-A530 PolarHBondContact O-N 2.85Å; A527-I531 WeakPolarHBondContact O-CG1 3.38Å; A527-I531 PolarHBondContact O-N 2.84Å; A527-A557 HydrophobicContact CB-CB 3.8Å
528	V	98.1	Very high	97.3	Very high	92 Å²	92	46.9 Å²	46.9	56%	0.558	25%	0.248	S	C	*	.	H	α-helix	trans	-66.4	-34.5	174.5	173.8	0	0	0	0	111.2	F524 A525 I531 Y532	F524-V528 WeakPolarHBondContact O-CG2 3.42Å; F524-V528 PolarHBondContact O-N 3.5Å; A525-V528 PolarHBondContact O-N 3.36Å; V528-I531 WeakPolarHBondContact O-CB 3.2Å; V528-I531 PolarHBondContact O-N 2.87Å; V528-Y532 PolarHBondContact O-N 2.76Å
529	Y	98.3	Very high	97.1	Very high	50 Å²	50	48.1 Å²	48.1	20%	0.196	26%	0.258	C	S	.	.	H	α-helix	trans	-68.3	-35.6	175.4	-166	-141.2	0	0	0	112.3	A490 L493 Y494 L497 A525 V526 A527 Y532 F533	A490-Y529 HydrophobicContact CB-CD1 4.46Å; L493-Y529 HydrophobicContact CB-CE1 3.87Å; Y494-Y529 HydrophobicContact CD2-CD1 4.19Å; L497-Y529 HydrophobicContact CD1-CE1 4.05Å; L497-Y529 HydrophobicContact CG-CE1 4.48Å; A525-Y529 WeakPolarHBondContact O-CB 3.28Å; A525-Y529 PolarHBondContact O-N 2.92Å; V526-Y529 PolarHBondContact O-N 3.49Å; A527-Y529 VanDerWaalsContact C-N 3.3Å; A527-Y529 PolarHBondContact O-N 2.86Å; Y529-Y532 AromaticContact CD2-CD1 3.92Å; Y529-Y532 HydrophobicContact CD2-CD1 3.92Å; Y529-Y532 HydrophobicContact CD2-CG 4.47Å; Y529-Y532 AromaticContact CE2-CD1 3.78Å; Y529-Y532 HydrophobicContact CE2-CD1 3.78Å; Y529-Y532 HydrophobicContact CE2-CE1 4.14Å; Y529-Y532 WeakPolarHBondContact O-CB 3.44Å; Y529-Y532 PolarHBondContact O-N 3.37Å; Y529-F533 AromaticContact CD1-CE2 3.89Å; Y529-F533 HydrophobicContact CD1-CE2 3.89Å; Y529-F533 HydrophobicContact CD2-CD2 4.47Å; Y529-F533 HydrophobicContact CD2-CE2 4.06Å; Y529-F533 AromaticContact CE1-CE2 3.49Å; Y529-F533 HydrophobicContact CE1-CE2 3.49Å; Y529-F533 VanDerWaalsContact CE1-CE2 3.49Å; Y529-F533 HydrophobicContact CE1-CZ 4.12Å; Y529-F533 HydrophobicContact CE2-CD2 4.43Å; Y529-F533 AromaticContact CE2-CE2 3.66Å; Y529-F533 HydrophobicContact CE2-CE2 3.66Å; Y529-F533 AromaticContact CE2-CZ 4Å; Y529-F533 HydrophobicContact CE2-CZ 4Å; Y529-F533 HydrophobicContact CG-CE2 4.17Å; Y529-F533 AromaticContact CZ-CE2 3.35Å; Y529-F533 AromaticContact CZ-CZ 3.61Å; Y529-F533 VanDerWaalsContact O-CD2 3.22Å; Y529-F533 WeakPolarHBondContact O-CD2 3.4Å; Y529-F533 PolarHBondContact O-N 2.91Å; Y529-F533 VanDerWaalsContact O-N 3.11Å; Y529-F533 WeakPolarHBondContact OH-CZ 3.3Å
530	A	97.5	Very high	96.9	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-44.7	169.6	0	0	0	0	0	111.6	L487 A490 V526 A527 Y532 F533 C534 V553	L487-A530 HydrophobicContact CD2-CB 3.93Å; A490-A530 HydrophobicContact CB-CB 3.56Å; V526-A530 PolarHBondContact O-N 2.74Å; A527-A530 WeakPolarHBondContact O-CB 3.47Å; A527-A530 PolarHBondContact O-N 2.85Å; A530-Y532 VanDerWaalsContact C-N 3.31Å; A530-Y532 PolarHBondContact O-N 2.65Å; A530-F533 CarbonylContact O-C 3.49Å; A530-F533 WeakPolarHBondContact O-CA 3.49Å; A530-F533 WeakPolarHBondContact O-CB 3.33Å; A530-F533 PolarHBondContact O-N 2.88Å; A530-C534 PolarHBondContact O-N 2.62Å; A530-C534 PolarHBondContact O-SG 3.49Å; A530-V553 HydrophobicContact CB-CG1 3.73Å
531	I	97.6	Very high	96.8	Very high	35 Å²	35	64.1 Å²	64.1	18%	0.179	33%	0.325	C	S	.	.	H	α-helix	trans	-57.1	-44.7	174	-70.1	168.7	0	0	0	111	A527 V528 F533 C534 F535 V553 L554	A527-I531 WeakPolarHBondContact O-CG1 3.38Å; A527-I531 PolarHBondContact O-N 2.84Å; V528-I531 WeakPolarHBondContact O-CB 3.2Å; V528-I531 PolarHBondContact O-N 2.87Å; I531-F533 VanDerWaalsContact C-N 3.26Å; I531-F533 PolarHBondContact O-N 3.25Å; I531-C534 WeakPolarHBondContact O-CB 3.32Å; I531-C534 PolarHBondContact O-N 2.85Å; I531-C534 VanDerWaalsContact O-N 3.11Å; I531-F535 HydrophobicContact CG2-CD2 4.12Å; I531-F535 HydrophobicContact CG2-CE2 4.04Å; I531-F535 WeakPolarHBondContact O-CD2 3.43Å; I531-F535 PolarHBondContact O-N 3.24Å; I531-F535 VanDerWaalsContact O-N 3.13Å; I531-V553 HydrophobicContact CG1-CG1 4.17Å; I531-L554 HydrophobicContact CD1-CB 4.21Å
532	Y	97.7	Very high	96.7	Very high	114 Å²	114	63.8 Å²	63.8	45%	0.447	31%	0.314	S	S	.	.	H	α-helix	trans	-54.9	-43.2	173.7	163.3	-95.8	0	0	0	111.7	V528 Y529 A530 F535 K536	V528-Y532 PolarHBondContact O-N 2.76Å; Y529-Y532 AromaticContact CD2-CD1 3.92Å; Y529-Y532 HydrophobicContact CD2-CD1 3.92Å; Y529-Y532 HydrophobicContact CD2-CG 4.47Å; Y529-Y532 AromaticContact CE2-CD1 3.78Å; Y529-Y532 HydrophobicContact CE2-CD1 3.78Å; Y529-Y532 HydrophobicContact CE2-CE1 4.14Å; Y529-Y532 WeakPolarHBondContact O-CB 3.44Å; Y529-Y532 PolarHBondContact O-N 3.37Å; A530-Y532 VanDerWaalsContact C-N 3.31Å; A530-Y532 PolarHBondContact O-N 2.65Å; Y532-F535 PolarHBondContact O-N 3.37Å; Y532-K536 HydrophobicContact CE1-CD 3.77Å; Y532-K536 WeakPolarHBondContact O-CB 3.37Å; Y532-K536 PolarHBondContact O-N 3.09Å; Y532-K536 WeakPolarHBondContact OH-CD 3.26Å; Y532-K536 PolarHBondContact OH-NZ 2.88Å
533	F	96.3	Very high	96.4	Very high	49 Å²	49	64.8 Å²	64.8	22%	0.215	32%	0.319	C	S	.	.	H	α-helix	trans	-67.5	-37	175.7	-77	-65.3	0	0	0	113.3	L493 Y529 A530 I531 F535 K536 S537	L493-F533 HydrophobicContact CB-CE2 4.24Å; L493-F533 HydrophobicContact CB-CZ 4.4Å; L493-F533 HydrophobicContact CD1-CD2 4.4Å; L493-F533 HydrophobicContact CD1-CE1 4.11Å; L493-F533 HydrophobicContact CD1-CE2 3.61Å; L493-F533 HydrophobicContact CD1-CZ 3.45Å; L493-F533 VanDerWaalsContact CD1-CZ 3.45Å; Y529-F533 AromaticContact CD1-CE2 3.89Å; Y529-F533 HydrophobicContact CD1-CE2 3.89Å; Y529-F533 HydrophobicContact CD2-CD2 4.47Å; Y529-F533 HydrophobicContact CD2-CE2 4.06Å; Y529-F533 AromaticContact CE1-CE2 3.49Å; Y529-F533 HydrophobicContact CE1-CE2 3.49Å; Y529-F533 VanDerWaalsContact CE1-CE2 3.49Å; Y529-F533 HydrophobicContact CE1-CZ 4.12Å; Y529-F533 HydrophobicContact CE2-CD2 4.43Å; Y529-F533 AromaticContact CE2-CE2 3.66Å; Y529-F533 HydrophobicContact CE2-CE2 3.66Å; Y529-F533 AromaticContact CE2-CZ 4Å; Y529-F533 HydrophobicContact CE2-CZ 4Å; Y529-F533 HydrophobicContact CG-CE2 4.17Å; Y529-F533 AromaticContact CZ-CE2 3.35Å; Y529-F533 AromaticContact CZ-CZ 3.61Å; Y529-F533 VanDerWaalsContact O-CD2 3.22Å; Y529-F533 WeakPolarHBondContact O-CD2 3.4Å; Y529-F533 PolarHBondContact O-N 2.91Å; Y529-F533 VanDerWaalsContact O-N 3.11Å; Y529-F533 WeakPolarHBondContact OH-CZ 3.3Å; A530-F533 CarbonylContact O-C 3.49Å; A530-F533 WeakPolarHBondContact O-CA 3.49Å; A530-F533 WeakPolarHBondContact O-CB 3.33Å; A530-F533 PolarHBondContact O-N 2.88Å; I531-F533 VanDerWaalsContact C-N 3.26Å; I531-F533 PolarHBondContact O-N 3.25Å; F533-F535 VanDerWaalsContact C-N 3.26Å; F533-F535 PolarHBondContact O-N 3.38Å; F533-K536 HydrophobicContact CD1-CD 4.09Å; F533-K536 HydrophobicContact CE1-CD 4.14Å; F533-K536 PolarHBondContact O-N 2.97Å; F533-K536 VanDerWaalsContact O-N 3.08Å; F533-S537 PolarHBondContact O-N 3.29Å; F533-S537 PolarHBondContact O-OG 3.45Å
534	C	95.1	Very high	96.3	Very high	4 Å²	4	68 Å²	68	3%	0.027	34%	0.342	C	S	.	.	H	α-helix	trans	-53.9	-45.9	172.4	-57.5	0	0	0	0	110.7	Q486 A530 I531 E538	Q486-C534 PolarHBondContact OE1-SG 2.89Å; A530-C534 PolarHBondContact O-N 2.62Å; A530-C534 PolarHBondContact O-SG 3.49Å; I531-C534 WeakPolarHBondContact O-CB 3.32Å; I531-C534 PolarHBondContact O-N 2.85Å; I531-C534 VanDerWaalsContact O-N 3.11Å; C534-E538 WeakPolarHBondContact O-CB 3.33Å; C534-E538 PolarHBondContact O-N 3.46Å
535	F	96.3	Very high	96.1	Very high	84 Å²	84	73 Å²	73	37%	0.368	36%	0.359	S	S	.	.	H	α-helix	trans	-70.2	-37.5	175.3	-79.1	-84	0	0	0	113.3	I531 Y532 F533 K543 A546 L547 S550	I531-F535 HydrophobicContact CG2-CD2 4.12Å; I531-F535 HydrophobicContact CG2-CE2 4.04Å; I531-F535 WeakPolarHBondContact O-CD2 3.43Å; I531-F535 PolarHBondContact O-N 3.24Å; I531-F535 VanDerWaalsContact O-N 3.13Å; Y532-F535 PolarHBondContact O-N 3.37Å; F533-F535 VanDerWaalsContact C-N 3.26Å; F533-F535 PolarHBondContact O-N 3.38Å; F535-K543 PolarHBondContact O-NZ 2.88Å; F535-A546 HydrophobicContact CD1-CB 3.64Å; F535-A546 HydrophobicContact CD2-CB 4.46Å; F535-A546 HydrophobicContact CE1-CB 3.88Å; F535-A546 HydrophobicContact CG-CB 3.97Å; F535-A546 HydrophobicContact CZ-CB 4.39Å; F535-L547 HydrophobicContact CE1-CD2 4.27Å; F535-L547 HydrophobicContact CE1-CG 4.45Å; F535-L547 HydrophobicContact CZ-CD2 3.71Å; F535-L547 HydrophobicContact CZ-CG 4.23Å; F535-S550 VanDerWaalsContact CE2-OG 3.22Å; F535-S550 WeakPolarHBondContact CE2-OG 3.39Å
536	K	95.6	Very high	95.9	Very high	127 Å²	127	71.4 Å²	71.4	55%	0.552	35%	0.346	S	S	*	.	H	α-helix	trans	-69.4	-44.2	-177.1	-174	-179.8	-172.4	165.1	0	112.6	Y532 F533	Y532-K536 HydrophobicContact CE1-CD 3.77Å; Y532-K536 WeakPolarHBondContact O-CB 3.37Å; Y532-K536 PolarHBondContact O-N 3.09Å; Y532-K536 WeakPolarHBondContact OH-CD 3.26Å; Y532-K536 PolarHBondContact OH-NZ 2.88Å; F533-K536 HydrophobicContact CD1-CD 4.09Å; F533-K536 HydrophobicContact CE1-CD 4.14Å; F533-K536 PolarHBondContact O-N 2.97Å; F533-K536 VanDerWaalsContact O-N 3.08Å
537	S	93.5	Very high	95.8	Very high	89 Å²	89	76.2 Å²	76.2	62%	0.622	37%	0.37	S	S	*	.	H	α-helix	trans	-82.7	-20.6	-174.5	62.1	0	0	0	0	113.7	F533	F533-S537 PolarHBondContact O-N 3.29Å; F533-S537 PolarHBondContact O-OG 3.45Å
538	E	95.4	Very high	95.6	Very high	37 Å²	37	82.6 Å²	82.6	17%	0.173	40%	0.404	C	S	.	.	S	Bend	trans	-68.1	128.6	-178.6	-166.7	66.3	-145.6	0	0	111.2	C534 T542 K543 R545 A546	C534-E538 WeakPolarHBondContact O-CB 3.33Å; C534-E538 PolarHBondContact O-N 3.46Å; E538-T542 WeakPolarHBondContact CG-O 3.42Å; E538-T542 VanDerWaalsContact OE1-CB 3.26Å; E538-T542 WeakPolarHBondContact OE1-CB 3.23Å; E538-T542 PolarHBondContact OE1-OG1 3.03Å; E538-K543 HydrophobicContact CB-CD 4.41Å; E538-K543 WeakPolarHBondContact O-CE 3.33Å; E538-K543 PolarHBondContact O-NZ 3.43Å; E538-R545 HydrophobicContact CG-CB 4.4Å; E538-A546 HydrophobicContact CB-CB 4Å; E538-A546 HydrophobicContact CG-CB 4.19Å
539	P	95.6	Very high	95.4	Very high	76 Å²	76	79.5 Å²	79.5	49%	0.494	39%	0.386	S	S	.	.			trans	-56.6	148.6	174.8	-25.2	33.9	0	0	0	112.7	I541 T542 K543	P539-I541 PolarHBondContact O-N 3.25Å; P539-I541 VanDerWaalsContact O-N 3.17Å; P539-T542 CarbonylContact O-C 3.52Å; P539-T542 PolarHBondContact O-N 2.96Å; P539-K543 PolarHBondContact O-N 2.98Å; P539-K543 VanDerWaalsContact O-N 3.09Å
540	W	93.8	Very high	95.3	Very high	225 Å²	225	77.6 Å²	77.6	85%	0.852	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-54.6	-37.2	178.9	-76.1	101.9	0	0	0	113.3	T542 K543	W540-T542 VanDerWaalsContact C-N 3.25Å; W540-T542 PolarHBondContact O-N 3.22Å; W540-K543 HydrophobicContact CE3-CG 4.14Å; W540-K543 PolarHBondContact O-N 3.33Å
541	I	95.7	Very high	95.3	Very high	166 Å²	166	79.5 Å²	79.5	85%	0.851	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-64.7	-30.7	-179.2	-56.8	164.9	0	0	0	111.6	P539	P539-I541 PolarHBondContact O-N 3.25Å; P539-I541 VanDerWaalsContact O-N 3.17Å
542	T	95.6	Very high	95.2	Very high	36 Å²	36	79.8 Å²	79.8	22%	0.221	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-116.8	19.5	-175.2	53.9	0	0	0	0	112.9	E538 P539 W540 P544 R545	E538-T542 WeakPolarHBondContact CG-O 3.42Å; E538-T542 VanDerWaalsContact OE1-CB 3.26Å; E538-T542 WeakPolarHBondContact OE1-CB 3.23Å; E538-T542 PolarHBondContact OE1-OG1 3.03Å; P539-T542 CarbonylContact O-C 3.52Å; P539-T542 PolarHBondContact O-N 2.96Å; W540-T542 VanDerWaalsContact C-N 3.25Å; W540-T542 PolarHBondContact O-N 3.22Å; T542-P544 VanDerWaalsContact C-N 3.27Å; T542-R545 VanDerWaalsContact O-CB 3.23Å; T542-R545 WeakPolarHBondContact O-CB 3.22Å; T542-R545 PolarHBondContact O-N 3.48Å
543	K	92.4	Very high	95.2	Very high	51 Å²	51	74.3 Å²	74.3	22%	0.222	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-37.5	-179.3	-82.1	-64.5	-170.5	-151.4	0	115.9	F535 E538 P539 W540 R545 A546	F535-K543 PolarHBondContact O-NZ 2.88Å; E538-K543 HydrophobicContact CB-CD 4.41Å; E538-K543 WeakPolarHBondContact O-CE 3.33Å; E538-K543 PolarHBondContact O-NZ 3.43Å; P539-K543 PolarHBondContact O-N 2.98Å; P539-K543 VanDerWaalsContact O-N 3.09Å; W540-K543 HydrophobicContact CE3-CG 4.14Å; W540-K543 PolarHBondContact O-N 3.33Å; K543-R545 PolarHBondContact O-N 3.39Å; K543-R545 VanDerWaalsContact O-N 3.15Å; K543-A546 WeakPolarHBondContact O-CB 3.31Å; K543-A546 PolarHBondContact O-N 2.89Å
544	P	95.3	Very high	95.2	Very high	91 Å²	91	75.5 Å²	75.5	59%	0.591	39%	0.394	S	S	*	.	H	α-helix	trans	-58.1	-25.4	174.7	-27.5	37	0	0	0	114.3	T542 A546 L547	T542-P544 VanDerWaalsContact C-N 3.27Å; P544-A546 PolarHBondContact O-N 3.49Å; P544-L547 WeakPolarHBondContact O-CB 3.38Å; P544-L547 PolarHBondContact O-N 3.34Å; P544-L547 VanDerWaalsContact O-N 3.16Å
545	R	93.5	Very high	95.3	Very high	159 Å²	159	83.8 Å²	83.8	60%	0.6	43%	0.426	S	S	*	.	H	α-helix	trans	-65.3	-24.4	173.2	-65.2	-171.2	176.5	179	-3.8	113.2	E538 T542 K543 L547 L548 S549	E538-R545 HydrophobicContact CG-CB 4.4Å; T542-R545 VanDerWaalsContact O-CB 3.23Å; T542-R545 WeakPolarHBondContact O-CB 3.22Å; T542-R545 PolarHBondContact O-N 3.48Å; K543-R545 PolarHBondContact O-N 3.39Å; K543-R545 VanDerWaalsContact O-N 3.15Å; R545-L547 PolarHBondContact O-N 3.02Å; R545-L548 PolarHBondContact O-N 3.17Å; R545-S549 PolarHBondContact O-N 2.95Å; R545-S549 PolarHBondContact O-OG 3.15Å
546	A	94.9	Very high	95.3	Very high	0 Å²	0	82.5 Å²	82.5	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-61	-33.2	173.1	0	0	0	0	0	111.7	F535 E538 K543 P544 S549 S550	F535-A546 HydrophobicContact CD1-CB 3.64Å; F535-A546 HydrophobicContact CD2-CB 4.46Å; F535-A546 HydrophobicContact CE1-CB 3.88Å; F535-A546 HydrophobicContact CG-CB 3.97Å; F535-A546 HydrophobicContact CZ-CB 4.39Å; E538-A546 HydrophobicContact CB-CB 4Å; E538-A546 HydrophobicContact CG-CB 4.19Å; K543-A546 WeakPolarHBondContact O-CB 3.31Å; K543-A546 PolarHBondContact O-N 2.89Å; P544-A546 PolarHBondContact O-N 3.49Å; A546-S549 VanDerWaalsContact CA-OG 3.31Å; A546-S549 WeakPolarHBondContact CA-OG 3.18Å; A546-S549 PolarHBondContact O-OG 3.09Å; A546-S549 VanDerWaalsContact O-OG 3.09Å; A546-S550 WeakPolarHBondContact O-CB 3.33Å; A546-S550 PolarHBondContact O-N 2.79Å; A546-S550 PolarHBondContact O-OG 3.34Å
547	L	95.1	Very high	95.3	Very high	115 Å²	115	76.5 Å²	76.5	60%	0.602	39%	0.394	S	S	*	.	H	α-helix	trans	-66.9	-41.4	176.7	-68.3	164.3	0	0	0	111.7	F535 P544 R545 G551	F535-L547 HydrophobicContact CE1-CD2 4.27Å; F535-L547 HydrophobicContact CE1-CG 4.45Å; F535-L547 HydrophobicContact CZ-CD2 3.71Å; F535-L547 HydrophobicContact CZ-CG 4.23Å; P544-L547 WeakPolarHBondContact O-CB 3.38Å; P544-L547 PolarHBondContact O-N 3.34Å; P544-L547 VanDerWaalsContact O-N 3.16Å; R545-L547 PolarHBondContact O-N 3.02Å; L547-G551 PolarHBondContact O-N 2.89Å
548	L	94.5	Very high	95.5	Very high	133 Å²	133	73.6 Å²	73.6	70%	0.696	37%	0.374	S	S	*	.	H	α-helix	trans	-64.9	-49.7	177.6	-79.2	154.5	0	0	0	111.4	R545 S550 G551 A552	R545-L548 PolarHBondContact O-N 3.17Å; L548-S550 PolarHBondContact O-N 3.22Å; L548-G551 PolarHBondContact O-N 3.47Å; L548-A552 PolarHBondContact O-N 3.47Å
549	S	93.9	Very high	95.5	Very high	27 Å²	27	74.1 Å²	74.1	19%	0.189	38%	0.382	C	S	.	.	H	α-helix	trans	-63.2	-40.4	177.1	45.2	0	0	0	0	112	R545 A546 G551 A552 V553	R545-S549 PolarHBondContact O-N 2.95Å; R545-S549 PolarHBondContact O-OG 3.15Å; A546-S549 VanDerWaalsContact CA-OG 3.31Å; A546-S549 WeakPolarHBondContact CA-OG 3.18Å; A546-S549 PolarHBondContact O-OG 3.09Å; A546-S549 VanDerWaalsContact O-OG 3.09Å; S549-G551 PolarHBondContact O-N 3.02Å; S549-A552 PolarHBondContact O-N 3.35Å; S549-V553 WeakPolarHBondContact O-CG2 3.28Å; S549-V553 PolarHBondContact O-N 2.6Å
550	S	96.2	Very high	95.5	Very high	10 Å²	10	70.6 Å²	70.6	7%	0.07	36%	0.359	C	S	.	.	H	α-helix	trans	-60.9	-43.2	174.6	-60.7	0	0	0	0	112.5	F535 A546 L548 V553 L554	F535-S550 VanDerWaalsContact CE2-OG 3.22Å; F535-S550 WeakPolarHBondContact CE2-OG 3.39Å; A546-S550 WeakPolarHBondContact O-CB 3.33Å; A546-S550 PolarHBondContact O-N 2.79Å; A546-S550 PolarHBondContact O-OG 3.34Å; L548-S550 PolarHBondContact O-N 3.22Å; S550-V553 PolarHBondContact O-N 3.16Å; S550-L554 WeakPolarHBondContact O-CB 3.21Å; S550-L554 PolarHBondContact O-N 3.01Å
551	G	96.8	Very high	95.7	Very high	42 Å²	42	59.9 Å²	59.9	43%	0.433	32%	0.318	S	S	.	.	H	α-helix	trans	-61.9	-42.4	174.9	0	0	0	0	0	112.3	L547 L548 S549 L554 Y555	L547-G551 PolarHBondContact O-N 2.89Å; L548-G551 PolarHBondContact O-N 3.47Å; S549-G551 PolarHBondContact O-N 3.02Å; G551-L554 PolarHBondContact O-N 3.11Å; G551-Y555 VanDerWaalsContact O-CB 3.28Å; G551-Y555 WeakPolarHBondContact O-CB 3.17Å; G551-Y555 PolarHBondContact O-N 3.33Å
552	A	96.4	Very high	95.7	Very high	40 Å²	40	57 Å²	57	33%	0.331	30%	0.3	S	S	.	.	H	α-helix	trans	-64.4	-45	176.7	0	0	0	0	0	112.4	L548 S549 Y555 K556	L548-A552 PolarHBondContact O-N 3.47Å; S549-A552 PolarHBondContact O-N 3.35Å; A552-Y555 PolarHBondContact O-N 2.96Å; A552-K556 VanDerWaalsContact O-CB 3.28Å; A552-K556 WeakPolarHBondContact O-CB 3.38Å; A552-K556 PolarHBondContact O-N 3.08Å
553	V	96.6	Very high	95.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.2	-47.6	175.4	166.2	0	0	0	0	111.3	Q486 L487 A530 I531 S549 S550 K556 A557	Q486-V553 HydrophobicContact CB-CG2 4.28Å; L487-V553 HydrophobicContact CD2-CG1 3.84Å; L487-V553 HydrophobicContact CG-CG1 4.1Å; A530-V553 HydrophobicContact CB-CG1 3.73Å; I531-V553 HydrophobicContact CG1-CG1 4.17Å; S549-V553 WeakPolarHBondContact O-CG2 3.28Å; S549-V553 PolarHBondContact O-N 2.6Å; S550-V553 PolarHBondContact O-N 3.16Å; V553-K556 PolarHBondContact O-N 3.03Å; V553-A557 WeakPolarHBondContact O-CB 3.48Å; V553-A557 PolarHBondContact O-N 3.44Å
554	L	97.1	Very high	96	Very high	74 Å²	74	57.2 Å²	57.2	39%	0.387	31%	0.306	S	S	.	.	H	α-helix	trans	-64.8	-45.8	179.2	-175.5	60.2	0	0	0	111.6	I531 S550 G551 K556 A557 C558	I531-L554 HydrophobicContact CD1-CB 4.21Å; S550-L554 WeakPolarHBondContact O-CB 3.21Å; S550-L554 PolarHBondContact O-N 3.01Å; G551-L554 PolarHBondContact O-N 3.11Å; L554-K556 VanDerWaalsContact C-N 3.28Å; L554-K556 PolarHBondContact O-N 3.46Å; L554-A557 PolarHBondContact O-N 3.11Å; L554-C558 PolarHBondContact O-N 3.48Å; L554-C558 PolarHBondContact O-SG 2.99Å; L554-C558 VanDerWaalsContact O-SG 3.33Å
555	Y	97.1	Very high	96	Very high	177 Å²	177	54.3 Å²	54.3	69%	0.694	29%	0.285	S	S	*	.	H	α-helix	trans	-56.6	-46.1	175.4	175.4	-96.2	0	0	0	110.8	G551 A552 C558 S559	G551-Y555 VanDerWaalsContact O-CB 3.28Å; G551-Y555 WeakPolarHBondContact O-CB 3.17Å; G551-Y555 PolarHBondContact O-N 3.33Å; A552-Y555 PolarHBondContact O-N 2.96Å; Y555-C558 PolarHBondContact O-N 2.95Å; Y555-S559 WeakPolarHBondContact O-CB 3.27Å; Y555-S559 PolarHBondContact O-N 2.89Å
556	K	96.1	Very high	96.1	Very high	58 Å²	58	53.9 Å²	53.9	25%	0.252	29%	0.285	S	S	.	.	H	α-helix	trans	-65.9	-45.3	-179.2	-163.3	69.2	178.1	-165.9	0	111.6	D481 L484 A552 V553 L554 C558 S559 V560	D481-K556 WeakPolarHBondContact OD2-CE 3.47Å; D481-K556 IonicContact OD2-NZ 2.9Å; D481-K556 PolarHBondContact OD2-NZ 3.34Å; L484-K556 HydrophobicContact CD2-CD 4.49Å; L484-K556 HydrophobicContact CD2-CG 3.63Å; L484-K556 HydrophobicContact CG-CD 4.33Å; L484-K556 HydrophobicContact CG-CG 3.76Å; A552-K556 VanDerWaalsContact O-CB 3.28Å; A552-K556 WeakPolarHBondContact O-CB 3.38Å; A552-K556 PolarHBondContact O-N 3.08Å; V553-K556 PolarHBondContact O-N 3.03Å; L554-K556 VanDerWaalsContact C-N 3.28Å; L554-K556 PolarHBondContact O-N 3.46Å; K556-C558 VanDerWaalsContact C-N 3.33Å; K556-C558 PolarHBondContact O-N 3.31Å; K556-S559 WeakPolarHBondContact CA-OG 3.23Å; K556-S559 PolarHBondContact O-N 3.06Å; K556-S559 VanDerWaalsContact O-N 3.11Å; K556-S559 PolarHBondContact O-OG 3.3Å; K556-V560 WeakPolarHBondContact O-CG2 3.41Å; K556-V560 PolarHBondContact O-N 3.43Å
557	A	96.1	Very high	96.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-55.6	-46.6	174.5	0	0	0	0	0	111.9	L487 F523 A527 V553 L554 V560 I561	L487-A557 HydrophobicContact CD1-CB 4.19Å; L487-A557 HydrophobicContact CD2-CB 4.46Å; F523-A557 HydrophobicContact CE1-CB 3.94Å; F523-A557 WeakPolarHBondContact CE1-O 3.34Å; F523-A557 HydrophobicContact CZ-CB 4.24Å; F523-A557 WeakPolarHBondContact CZ-O 3.34Å; A527-A557 HydrophobicContact CB-CB 3.8Å; V553-A557 WeakPolarHBondContact O-CB 3.48Å; V553-A557 PolarHBondContact O-N 3.44Å; L554-A557 PolarHBondContact O-N 3.11Å; A557-V560 PolarHBondContact O-N 3.06Å; A557-I561 WeakPolarHBondContact O-CG2 3.13Å; A557-I561 PolarHBondContact O-N 2.74Å; A557-I561 VanDerWaalsContact O-N 3.09Å
558	C	97.3	Very high	96	Very high	29 Å²	29	49.3 Å²	49.3	20%	0.196	26%	0.262	C	S	.	.	H	α-helix	trans	-63.2	-41.5	175.3	-68.7	0	0	0	0	112.4	L554 Y555 K556 V560 I561 F562	L554-C558 PolarHBondContact O-N 3.48Å; L554-C558 PolarHBondContact O-SG 2.99Å; L554-C558 VanDerWaalsContact O-SG 3.33Å; Y555-C558 PolarHBondContact O-N 2.95Å; K556-C558 VanDerWaalsContact C-N 3.33Å; K556-C558 PolarHBondContact O-N 3.31Å; C558-V560 VanDerWaalsContact C-N 3.25Å; C558-V560 PolarHBondContact O-N 3.14Å; C558-I561 PolarHBondContact O-N 2.88Å; C558-F562 HydrophobicContact CB-CD2 4.09Å; C558-F562 HydrophobicContact CB-CE2 3.92Å; C558-F562 HydrophobicContact CB-CZ 4.34Å; C558-F562 WeakPolarHBondContact O-CB 3.26Å; C558-F562 WeakPolarHBondContact O-CG 3.33Å; C558-F562 PolarHBondContact O-N 3.46Å
559	S	96.4	Very high	95.8	Very high	48 Å²	48	48.8 Å²	48.8	34%	0.336	26%	0.258	S	S	.	.	H	α-helix	trans	-64.2	-28.8	179.6	76.7	0	0	0	0	113.4	Y555 K556 P563	Y555-S559 WeakPolarHBondContact O-CB 3.27Å; Y555-S559 PolarHBondContact O-N 2.89Å; K556-S559 WeakPolarHBondContact CA-OG 3.23Å; K556-S559 PolarHBondContact O-N 3.06Å; K556-S559 VanDerWaalsContact O-N 3.11Å; K556-S559 PolarHBondContact O-OG 3.3Å; S559-P563 WeakPolarHBondContact O-CD 3.3Å; S559-P563 VanDerWaalsContact O-CG 3.28Å; S559-P563 WeakPolarHBondContact O-CG 3.43Å
560	V	95.3	Very high	95.3	Very high	2 Å²	2	52 Å²	52	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-76.9	-55.4	173.7	175.5	0	0	0	0	110	A472 E475 L476 L484 F523 K556 A557 C558 L564	A472-V560 HydrophobicContact CB-CG1 3.99Å; E475-V560 HydrophobicContact CB-CG1 4.29Å; E475-V560 WeakPolarHBondContact OE2-CG2 3.4Å; L476-V560 HydrophobicContact CD1-CG1 4.42Å; L484-V560 HydrophobicContact CD2-CG2 3.92Å; F523-V560 HydrophobicContact CZ-CB 4.46Å; K556-V560 WeakPolarHBondContact O-CG2 3.41Å; K556-V560 PolarHBondContact O-N 3.43Å; A557-V560 PolarHBondContact O-N 3.06Å; C558-V560 VanDerWaalsContact C-N 3.25Å; C558-V560 PolarHBondContact O-N 3.14Å; V560-L564 HydrophobicContact CG1-CD1 4.21Å; V560-L564 WeakPolarHBondContact O-CD1 3.21Å; V560-L564 VanDerWaalsContact O-CG 3.28Å; V560-L564 WeakPolarHBondContact O-CG 3.42Å
561	I	96.8	Very high	93.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-80.2	-35.4	-165.2	-158.6	71.7	0	0	0	113.9	I468 A472 F523 F524 A557 C558 L564 I565	I468-I561 HydrophobicContact CG2-CD1 3.34Å; I468-I561 HydrophobicContact CG2-CG1 4.38Å; A472-I561 HydrophobicContact CB-CD1 4.08Å; F523-I561 HydrophobicContact CD1-CB 3.95Å; F523-I561 HydrophobicContact CD1-CD1 4.22Å; F523-I561 HydrophobicContact CD1-CG1 3.95Å; F523-I561 HydrophobicContact CD1-CG2 4.05Å; F523-I561 HydrophobicContact CD2-CD1 3.93Å; F523-I561 HydrophobicContact CE1-CB 3.51Å; F523-I561 HydrophobicContact CE1-CD1 4.36Å; F523-I561 HydrophobicContact CE1-CG1 4.04Å; F523-I561 HydrophobicContact CE1-CG2 3.63Å; F523-I561 HydrophobicContact CE2-CB 4.4Å; F523-I561 HydrophobicContact CE2-CD1 4.08Å; F523-I561 HydrophobicContact CG-CD1 4Å; F523-I561 HydrophobicContact CG-CG1 4.23Å; F523-I561 HydrophobicContact CZ-CB 3.76Å; F523-I561 HydrophobicContact CZ-CD1 4.29Å; F523-I561 HydrophobicContact CZ-CG1 4.37Å; F523-I561 HydrophobicContact CZ-CG2 4.32Å; F524-I561 HydrophobicContact CE2-CG2 4.17Å; F524-I561 HydrophobicContact CZ-CG2 3.88Å; A557-I561 WeakPolarHBondContact O-CG2 3.13Å; A557-I561 PolarHBondContact O-N 2.74Å; A557-I561 VanDerWaalsContact O-N 3.09Å; C558-I561 PolarHBondContact O-N 2.88Å; I561-L564 PolarHBondContact O-N 3.48Å; I561-I565 HydrophobicContact CG1-CD1 3.88Å; I561-I565 HydrophobicContact CG1-CG1 4.23Å; I561-I565 VanDerWaalsContact O-CG1 3.3Å; I561-I565 WeakPolarHBondContact O-CG1 3.45Å; I561-I565 PolarHBondContact O-N 3.49Å
562	F	97.3	Very high	92	Very high	106 Å²	106	56.3 Å²	56.3	47%	0.465	28%	0.276	S	S	.	.	H	α-helix	trans	-67	-44.6	-174.7	-69.6	-11.4	0	0	0	113.7	F524 C558 L564 I565 Y566	F524-F562 HydrophobicContact CE2-CE1 4.33Å; F524-F562 AromaticContact CZ-CE1 3.8Å; F524-F562 HydrophobicContact CZ-CE1 3.8Å; F524-F562 HydrophobicContact CZ-CZ 4.22Å; C558-F562 HydrophobicContact CB-CD2 4.09Å; C558-F562 HydrophobicContact CB-CE2 3.92Å; C558-F562 HydrophobicContact CB-CZ 4.34Å; C558-F562 WeakPolarHBondContact O-CB 3.26Å; C558-F562 WeakPolarHBondContact O-CG 3.33Å; C558-F562 PolarHBondContact O-N 3.46Å; F562-L564 VanDerWaalsContact C-N 3.27Å; F562-L564 PolarHBondContact O-N 3.35Å; F562-I565 HydrophobicContact CD1-CD1 4.47Å; F562-I565 PolarHBondContact O-N 2.96Å; F562-Y566 WeakPolarHBondContact O-CB 3.37Å; F562-Y566 PolarHBondContact O-N 2.98Å
563	P	96.7	Very high	89.7	Confident	79 Å²	79	56.4 Å²	56.4	51%	0.513	27%	0.273	S	S	.	.	H	α-helix	trans	-60.9	-37.6	174.1	-24.6	36.3	0	0	0	112.6	S559 Y566 S567	S559-P563 WeakPolarHBondContact O-CD 3.3Å; S559-P563 VanDerWaalsContact O-CG 3.28Å; S559-P563 WeakPolarHBondContact O-CG 3.43Å; P563-Y566 PolarHBondContact O-N 2.88Å; P563-S567 WeakPolarHBondContact O-CB 3.37Å; P563-S567 PolarHBondContact O-N 3.01Å
564	L	96.4	Very high	87.4	Confident	11 Å²	11	64.8 Å²	64.8	6%	0.058	31%	0.312	C	S	.	.	H	α-helix	trans	-66.1	-45.7	177.9	-65.6	174.5	0	0	0	111.7	F392 I468 Q471 A472 V560 I561 F562 Y566 S567 E568	F392-L564 HydrophobicContact CE1-CD2 4.43Å; F392-L564 HydrophobicContact CZ-CD2 4.13Å; I468-L564 HydrophobicContact CB-CB 4.46Å; I468-L564 HydrophobicContact CG1-CB 4.12Å; I468-L564 HydrophobicContact CG2-CB 4.03Å; I468-L564 HydrophobicContact CG2-CD1 4.4Å; Q471-L564 HydrophobicContact CB-CD1 3.69Å; Q471-L564 HydrophobicContact CB-CD2 3.55Å; Q471-L564 HydrophobicContact CB-CG 4.28Å; Q471-L564 HydrophobicContact CG-CD2 3.89Å; A472-L564 HydrophobicContact CB-CD1 3.96Å; V560-L564 HydrophobicContact CG1-CD1 4.21Å; V560-L564 WeakPolarHBondContact O-CD1 3.21Å; V560-L564 VanDerWaalsContact O-CG 3.28Å; V560-L564 WeakPolarHBondContact O-CG 3.42Å; I561-L564 PolarHBondContact O-N 3.48Å; F562-L564 VanDerWaalsContact C-N 3.27Å; F562-L564 PolarHBondContact O-N 3.35Å; L564-Y566 VanDerWaalsContact C-N 3.34Å; L564-Y566 PolarHBondContact O-N 3.41Å; L564-S567 WeakPolarHBondContact O-CB 3.31Å; L564-S567 PolarHBondContact O-N 3.49Å; L564-S567 PolarHBondContact O-OG 3.44Å; L564-E568 PolarHBondContact O-N 2.92Å
565	I	96.2	Very high	86.9	Confident	30 Å²	30	64.4 Å²	64.4	15%	0.154	31%	0.308	C	S	.	.	H	α-helix	trans	-57.6	-48.2	173.9	-69.8	171.1	0	0	0	110.6	F464 I468 I520 I561 F562 S567 E568 M569	F464-I565 HydrophobicContact CE2-CG1 4.42Å; F464-I565 HydrophobicContact CE2-CG2 4.11Å; F464-I565 HydrophobicContact CZ-CG1 3.9Å; F464-I565 HydrophobicContact CZ-CG2 4.24Å; I468-I565 HydrophobicContact CD1-CB 4.42Å; I468-I565 HydrophobicContact CD1-CG1 3.93Å; I520-I565 HydrophobicContact CD1-CD1 4.2Å; I520-I565 HydrophobicContact CG1-CD1 4.18Å; I561-I565 HydrophobicContact CG1-CD1 3.88Å; I561-I565 HydrophobicContact CG1-CG1 4.23Å; I561-I565 VanDerWaalsContact O-CG1 3.3Å; I561-I565 WeakPolarHBondContact O-CG1 3.45Å; I561-I565 PolarHBondContact O-N 3.49Å; F562-I565 HydrophobicContact CD1-CD1 4.47Å; F562-I565 PolarHBondContact O-N 2.96Å; I565-S567 VanDerWaalsContact C-N 3.26Å; I565-S567 PolarHBondContact O-N 3.46Å; I565-E568 PolarHBondContact O-N 3Å; I565-M569 HydrophobicContact CG2-SD 3.96Å; I565-M569 WeakPolarHBondContact O-CG 3.38Å; I565-M569 PolarHBondContact O-N 3.45Å
566	Y	95.3	Very high	86.4	Confident	151 Å²	151	58.4 Å²	58.4	59%	0.592	29%	0.287	S	S	*	.	H	α-helix	trans	-59.8	-38.9	178.9	-179.1	-105.7	0	0	0	112.1	F562 P563 L564 E568 M569 K570	F562-Y566 WeakPolarHBondContact O-CB 3.37Å; F562-Y566 PolarHBondContact O-N 2.98Å; P563-Y566 PolarHBondContact O-N 2.88Å; L564-Y566 VanDerWaalsContact C-N 3.34Å; L564-Y566 PolarHBondContact O-N 3.41Å; Y566-E568 VanDerWaalsContact C-N 3.26Å; Y566-E568 PolarHBondContact O-N 3.41Å; Y566-M569 PolarHBondContact O-N 3.42Å; Y566-M569 VanDerWaalsContact O-N 3.07Å; Y566-K570 HydrophobicContact CE1-CD 4.24Å; Y566-K570 PolarHBondContact O-N 3.07Å; Y566-K570 VanDerWaalsContact O-N 3.15Å
567	S	94.3	Very high	85.9	Confident	18 Å²	18	58.4 Å²	58.4	13%	0.126	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-30.7	179.1	80.9	0	0	0	0	113.7	P563 L564 I565	P563-S567 WeakPolarHBondContact O-CB 3.37Å; P563-S567 PolarHBondContact O-N 3.01Å; L564-S567 WeakPolarHBondContact O-CB 3.31Å; L564-S567 PolarHBondContact O-N 3.49Å; L564-S567 PolarHBondContact O-OG 3.44Å; I565-S567 VanDerWaalsContact C-N 3.26Å; I565-S567 PolarHBondContact O-N 3.46Å
568	E	94.1	Very high	85.3	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-84.8	-12.8	176.5	-71.1	-65.4	136	0	0	113.3	P395 S463 F464 N467 I468 L564 I565 Y566 Y571	P395-E568 WeakPolarHBondContact CD-OE1 3.27Å; S463-E568 WeakPolarHBondContact CB-OE2 3.39Å; S463-E568 PolarHBondContact OG-OE2 3.41Å; F464-E568 HydrophobicContact CD2-CB 3.85Å; F464-E568 HydrophobicContact CD2-CG 4.44Å; F464-E568 HydrophobicContact CE2-CB 4.48Å; F464-E568 PolarHBondContact N-OE2 2.67Å; N467-E568 HydrophobicContact CB-CG 4.5Å; N467-E568 WeakPolarHBondContact CB-OE1 3.25Å; N467-E568 PolarHBondContact ND2-OE1 2.98Å; I468-E568 HydrophobicContact CD1-CB 4.28Å; I468-E568 HydrophobicContact CD1-CG 3.87Å; I468-E568 HydrophobicContact CG1-CG 3.81Å; L564-E568 PolarHBondContact O-N 2.92Å; I565-E568 PolarHBondContact O-N 3Å; Y566-E568 VanDerWaalsContact C-N 3.26Å; Y566-E568 PolarHBondContact O-N 3.41Å; E568-Y571 WeakPolarHBondContact O-CE2 3.41Å
569	M	89.1	Confident	84.5	Confident	123 Å²	123	63.9 Å²	63.9	61%	0.606	31%	0.313	S	S	*	.	H	α-helix	trans	-99.1	-14.1	179.5	-65.3	-175.3	73	0	0	112.9	I565 Y566 Y571	I565-M569 HydrophobicContact CG2-SD 3.96Å; I565-M569 WeakPolarHBondContact O-CG 3.38Å; I565-M569 PolarHBondContact O-N 3.45Å; Y566-M569 PolarHBondContact O-N 3.42Å; Y566-M569 VanDerWaalsContact O-N 3.07Å; M569-Y571 VanDerWaalsContact C-N 3.31Å; M569-Y571 PolarHBondContact O-N 2.6Å
570	K	83.1	Confident	83.7	Confident	95 Å²	95	65 Å²	65	41%	0.413	31%	0.312	S	S	.	.			trans	-77.5	73.6	-177	-165.2	-176.3	-179.9	-174.2	0	112.3	Y566	Y566-K570 HydrophobicContact CE1-CD 4.24Å; Y566-K570 PolarHBondContact O-N 3.07Å; Y566-K570 VanDerWaalsContact O-N 3.15Å
571	Y	68.6	Low	82.9	Confident	31 Å²	31	69.5 Å²	69.5	12%	0.122	33%	0.333	C	S	.	.			trans	-109.1	100.5	165.7	-65.2	-86.7	0	0	0	109.1	P395 Y455 R458 K459 E568 M569 V573	P395-Y571 HydrophobicContact CB-CE1 4.26Å; P395-Y571 WeakPolarHBondContact CB-OH 3.39Å; P395-Y571 VanDerWaalsContact CG-OH 3.24Å; P395-Y571 WeakPolarHBondContact CG-OH 3.37Å; Y455-Y571 AromaticContact CD1-CD1 3.89Å; Y455-Y571 HydrophobicContact CD1-CD1 3.89Å; Y455-Y571 AromaticContact CD1-CE1 3.57Å; Y455-Y571 HydrophobicContact CD1-CE1 3.57Å; Y455-Y571 HydrophobicContact CD2-CD1 4.06Å; Y455-Y571 HydrophobicContact CE1-CE1 4.36Å; Y455-Y571 AromaticContact CG-CD1 3.61Å; Y455-Y571 HydrophobicContact CG-CD1 3.61Å; Y455-Y571 AromaticContact CG-CE1 3.71Å; Y455-Y571 HydrophobicContact CG-CE1 3.71Å; Y455-Y571 HydrophobicContact CG-CG 4.43Å; R458-Y571 PolarHBondContact NH1-OH 3.3Å; K459-Y571 HydrophobicContact CB-CE2 3.82Å; K459-Y571 HydrophobicContact CD-CD2 3.7Å; K459-Y571 HydrophobicContact CD-CE2 3.67Å; K459-Y571 HydrophobicContact CG-CE2 4.35Å; E568-Y571 WeakPolarHBondContact O-CE2 3.41Å; M569-Y571 VanDerWaalsContact C-N 3.31Å; M569-Y571 PolarHBondContact O-N 2.6Å; Y571-V573 PolarHBondContact O-N 3.08Å
572	M	55.3	Low	81.8	Confident	110 Å²	110	74.8 Å²	74.8	54%	0.542	36%	0.359	S	S	.	.			trans	-92.7	85.8	167.7	-64.2	179	70.4	0	0	106.5	S397	S397-M572 PolarHBondContact OG-O 3.32Å
573	V	49.1	Very low	80.5	Confident	43 Å²	43	72.3 Å²	72.3	26%	0.261	35%	0.35	S	S	.	.			trans	-81.3	116.2	167.7	-173.9	0	0	0	0	106.2	F448 K452 Y455 Y571	F448-V573 HydrophobicContact CE1-CG1 4.36Å; F448-V573 HydrophobicContact CE2-CG1 3.58Å; F448-V573 HydrophobicContact CZ-CG1 3.43Å; F448-V573 VanDerWaalsContact CZ-CG1 3.43Å; K452-V573 HydrophobicContact CD-CG1 4.49Å; K452-V573 HydrophobicContact CG-CG1 3.94Å; K452-V573 HydrophobicContact CG-CG2 4.46Å; Y455-V573 HydrophobicContact CD2-CG2 3.71Å; Y455-V573 HydrophobicContact CE2-CG2 3.91Å; Y571-V573 PolarHBondContact O-N 3.08Å
574	H	48.5	Very low	79.1	Confident	176 Å²	176	71.6 Å²	71.6	82%	0.815	34%	0.335	S	S	*	.			trans	-101.5	0	175.1	-71.9	-53.8	0	0	0	109.1	F448	F448-H574 WeakPolarHBondContact CZ-O 3.43Å

Retrieved 574 of 574 residues in 1485.8 ms (Link to these results)

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