A0A087XJK4_POEFO Loading...

Serpin H1

Binds specifically to collagen. Could be involved as a chaperone in the biosynthetic pathway of collagen.

AlphaFold DB , UniProt , Accession A0A087XJK4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 407 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	N	39.2	Very low	37.1	Very low	208 Å²	208	159.7 Å²	159.7	100%	1.112	82%	0.817	S	S	*	*				0	100	0	-72	-11	0	0	0	108.1
2	R	37.3	Very low	36.7	Very low	224 Å²	224	155.9 Å²	155.9	85%	0.845	81%	0.813	S	S	*	*				56.1	122.4	97.5	-87	-168.1	-177.1	-169.1	1.8	109.6
3	M	35.5	Very low	36.6	Very low	134 Å²	134	155.4 Å²	155.4	66%	0.66	81%	0.811	S	S	*	*			cis	174.2	160.4	17.4	-142.9	159.2	74.8	0	0	105.6
4	W	36.1	Very low	36.7	Very low	216 Å²	216	154.6 Å²	154.6	82%	0.818	81%	0.807	S	S	*	*			trans	97.9	96.3	162.3	-57.1	24.4	0	0	0	113.9
5	M	39.3	Very low	36.7	Very low	166 Å²	166	149.8 Å²	149.8	82%	0.818	80%	0.798	S	S	*	*				48.8	95.2	66.2	-100.6	-169.2	-167.1	0	0	114.1
6	T	37	Very low	36.6	Very low	147 Å²	147	152.4 Å²	152.4	90%	0.902	80%	0.801	S	S	*	*			trans	-133.3	112.9	145.5	38.4	0	0	0	0	108.7
7	R	37.9	Very low	36.7	Very low	219 Å²	219	150.8 Å²	150.8	83%	0.826	80%	0.799	S	S	*	*			trans	-72	130.6	170.7	-70.3	173.2	162.2	-178.9	-5.8	108.7
8	A	35.8	Very low	36.6	Very low	106 Å²	106	147.3 Å²	147.3	88%	0.876	80%	0.795	S	S	*	*			trans	-116	99.4	155.3	0	0	0	0	0	107	A10	A8-A10 PolarHBondContact O-N 2.96Å
9	V	37.7	Very low	36.6	Very low	112 Å²	112	144.5 Å²	144.5	68%	0.679	79%	0.787	S	S	*	*			trans	-73.9	112.2	171.3	173.5	0	0	0	0	106.7	L11	V9-L11 HydrophobicContact CG1-CD1 4.13Å; V9-L11 PolarHBondContact O-N 3.23Å
10	A	35.3	Very low	36.9	Very low	90 Å²	90	141.9 Å²	141.9	74%	0.744	79%	0.786	S	S	*	*			trans	-71.4	95.4	168.5	0	0	0	0	0	108.5	A8 C12	A8-A10 PolarHBondContact O-N 2.96Å; A10-C12 PolarHBondContact O-N 3.43Å
11	L	36.6	Very low	37.2	Very low	135 Å²	135	143.5 Å²	143.5	71%	0.707	79%	0.788	S	S	*	*			trans	-77.8	92.9	165.4	-111.9	120.1	0	0	0	107.7	V9 L13	V9-L11 HydrophobicContact CG1-CD1 4.13Å; V9-L11 PolarHBondContact O-N 3.23Å; L11-L13 HydrophobicContact CD2-CG 4.4Å; L11-L13 PolarHBondContact O-N 3.11Å
12	C	33.2	Very low	37.9	Very low	114 Å²	114	139.8 Å²	139.8	77%	0.77	77%	0.768	S	S	*	*			trans	-68.1	86.3	161.6	-75.3	0	0	0	0	108.6	A10 L14	A10-C12 PolarHBondContact O-N 3.43Å; C12-L14 VanDerWaalsContact C-N 3.25Å; C12-L14 PolarHBondContact O-N 3.4Å
13	L	35.4	Very low	39.1	Very low	149 Å²	149	135 Å²	135	78%	0.78	75%	0.753	S	S	*	*			trans	-70.1	90.1	159.2	-86.8	157.5	0	0	0	107.3	L11 A15	L11-L13 HydrophobicContact CD2-CG 4.4Å; L11-L13 PolarHBondContact O-N 3.11Å; L13-A15 PolarHBondContact O-N 3.18Å
14	L	36.8	Very low	41.1	Very low	145 Å²	145	137.3 Å²	137.3	76%	0.759	76%	0.759	S	S	*	*			trans	-63.5	89.1	158.3	-85.6	159.9	0	0	0	107	C12 F16	C12-L14 VanDerWaalsContact C-N 3.25Å; C12-L14 PolarHBondContact O-N 3.4Å; L14-F16 VanDerWaalsContact C-N 3.28Å; L14-F16 PolarHBondContact O-N 2.99Å
15	A	37.1	Very low	43.5	Very low	82 Å²	82	127.7 Å²	127.7	68%	0.678	72%	0.724	S	S	*	*			trans	-62.8	98.3	159.9	0	0	0	0	0	106.4	L13 V17	L13-A15 PolarHBondContact O-N 3.18Å; A15-V17 PolarHBondContact O-N 3.28Å
16	F	35.2	Very low	45.9	Very low	191 Å²	191	121.8 Å²	121.8	84%	0.838	70%	0.699	S	S	*	*			trans	-62.6	88.2	157	-88.2	-87.6	0	0	0	106.4	L14 A18	L14-F16 VanDerWaalsContact C-N 3.28Å; L14-F16 PolarHBondContact O-N 2.99Å; F16-A18 PolarHBondContact O-N 3.35Å
17	V	37.7	Very low	48.5	Very low	126 Å²	126	118.6 Å²	118.6	76%	0.764	68%	0.682	S	S	*	*			trans	-66.4	93.3	155.1	-177.1	0	0	0	0	103.7	A15 S19	A15-V17 PolarHBondContact O-N 3.28Å; V17-S19 PolarHBondContact O-N 2.93Å
18	A	35.4	Very low	51	Low	88 Å²	88	110.8 Å²	110.8	73%	0.727	66%	0.655	S	S	*	*			trans	-58.8	96.8	160.6	0	0	0	0	0	105.3	F16 A20	F16-A18 PolarHBondContact O-N 3.35Å; A18-A20 VanDerWaalsContact C-N 3.32Å; A18-A20 PolarHBondContact O-N 3.42Å
19	S	37.6	Very low	53.7	Low	94 Å²	94	105.7 Å²	105.7	66%	0.657	61%	0.613	S	S	*	*			trans	-52.1	107.1	159.7	167.2	0	0	0	0	104.9	V17 E21	V17-S19 PolarHBondContact O-N 2.93Å; S19-E21 PolarHBondContact O-N 2.91Å
20	A	41.8	Very low	56.3	Low	91 Å²	91	103 Å²	103	75%	0.752	60%	0.595	S	S	*	*			trans	-60.7	96.9	165.1	0	0	0	0	0	104.9	A18 D22	A18-A20 VanDerWaalsContact C-N 3.32Å; A18-A20 PolarHBondContact O-N 3.42Å; A20-D22 PolarHBondContact O-N 3.32Å; A20-D22 VanDerWaalsContact O-N 3.16Å
21	E	43.1	Very low	59.1	Low	177 Å²	177	101.8 Å²	101.8	83%	0.827	58%	0.579	S	S	*	*			trans	-50.7	127	168.3	-85.1	-177.5	154.8	0	0	106.7	S19 K23	S19-E21 PolarHBondContact O-N 2.91Å; E21-K23 VanDerWaalsContact C-N 3.27Å; E21-K23 PolarHBondContact O-N 3.43Å
22	D	54.3	Low	61.9	Low	130 Å²	130	95.4 Å²	95.4	70%	0.695	55%	0.545	S	S	*	.			trans	-60.2	96.2	177.5	-98.3	-41.5	0	0	0	108.3	A20 K24 K385	A20-D22 PolarHBondContact O-N 3.32Å; A20-D22 VanDerWaalsContact O-N 3.16Å; D22-K24 PolarHBondContact O-N 2.79Å; D22-K385 VanDerWaalsContact OD1-CE 3.31Å; D22-K385 WeakPolarHBondContact OD1-CE 3.45Å; D22-K385 IonicContact OD1-NZ 2.85Å; D22-K385 PolarHBondContact OD1-NZ 3.32Å
23	K	61.3	Low	64.8	Low	123 Å²	123	90.3 Å²	90.3	54%	0.535	51%	0.511	S	S	.	.			trans	-56.1	111.4	177.1	-168.4	-177.9	176.4	-163.1	0	107.6	E21 E106 K385	E21-K23 VanDerWaalsContact C-N 3.27Å; E21-K23 PolarHBondContact O-N 3.43Å; K23-E106 IonicContact NZ-OE2 3.21Å; K23-K385 VanDerWaalsContact O-CE 3.31Å; K23-K385 WeakPolarHBondContact O-CE 3.3Å; K23-K385 PolarHBondContact O-NZ 3.3Å
24	K	78.8	Confident	67.5	Low	183 Å²	183	86.7 Å²	86.7	80%	0.796	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-94.7	128.8	179.9	-171.9	176	-178.9	177.4	0	107.4	D22	D22-K24 PolarHBondContact O-N 2.79Å
25	L	85.2	Confident	70.4	Confident	13 Å²	13	80.8 Å²	80.8	7%	0.068	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-55.6	142.8	175	-72.1	178.8	0	0	0	110.4	A29 N30 E102 L103 E106 T386	L25-A29 HydrophobicContact CB-CB 4.12Å; L25-A29 HydrophobicContact CD2-CB 4.2Å; L25-N30 WeakPolarHBondContact CB-OD1 3.33Å; L25-N30 PolarHBondContact O-ND2 3.16Å; L25-E102 VanDerWaalsContact CA-OE1 3.27Å; L25-E102 WeakPolarHBondContact CA-OE1 3.42Å; L25-E102 HydrophobicContact CD2-CG 3.96Å; L25-L103 HydrophobicContact CD1-CD2 3.75Å; L25-L103 HydrophobicContact CD2-CD2 4.21Å; L25-E106 HydrophobicContact CD2-CG 4.47Å; L25-T386 HydrophobicContact CD1-CG2 3.52Å; L25-T386 HydrophobicContact CG-CG2 3.88Å
26	S	91.2	Very high	73.2	Confident	43 Å²	43	76.9 Å²	76.9	30%	0.301	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-56.6	158.4	169.8	70.1	0	0	0	0	111.5	H28 A29 N30 E102	S26-H28 PolarHBondContact O-N 3.26Å; S26-A29 PolarHBondContact O-N 3.47Å; S26-A29 VanDerWaalsContact OG-CB 3.29Å; S26-A29 WeakPolarHBondContact OG-CB 3.32Å; S26-A29 PolarHBondContact OG-N 3.47Å; S26-A29 VanDerWaalsContact OG-N 3.13Å; S26-N30 PolarHBondContact O-N 2.93Å; S26-N30 PolarHBondContact O-ND2 3.41Å; S26-E102 WeakPolarHBondContact CB-OE2 3.5Å; S26-E102 PolarHBondContact N-OE1 2.92Å; S26-E102 PolarHBondContact N-OE2 3.35Å; S26-E102 PolarHBondContact OG-OE2 3.02Å
27	S	90.5	Very high	76.1	Confident	79 Å²	79	67.9 Å²	67.9	55%	0.552	39%	0.391	S	S	*	.	H	α-helix	trans	-57.1	-41.7	177.9	56	0	0	0	0	111.7	N30 T31	S27-N30 PolarHBondContact O-N 3.43Å; S27-T31 PolarHBondContact O-N 2.93Å; S27-T31 VanDerWaalsContact O-N 3.07Å; S27-T31 PolarHBondContact O-OG1 2.78Å
28	H	91.6	Very high	78.9	Confident	55 Å²	55	65.2 Å²	65.2	26%	0.255	37%	0.372	S	S	.	.	H	α-helix	trans	-67.3	-40.5	177.4	-54.2	-51.6	0	0	0	112.3	S26 T31 L32 H95	S26-H28 PolarHBondContact O-N 3.26Å; H28-T31 PolarHBondContact O-N 3.34Å; H28-L32 WeakPolarHBondContact O-CB 3.5Å; H28-L32 WeakPolarHBondContact O-CD1 3.28Å; H28-L32 VanDerWaalsContact O-CG 3.3Å; H28-L32 WeakPolarHBondContact O-CG 3.27Å; H28-L32 PolarHBondContact O-N 3.31Å; H28-H95 HydrophobicContact CB-CB 4.31Å; H28-H95 AromaticContact CD2-CG 3.68Å; H28-H95 AromaticContact CD2-ND1 3.71Å; H28-H95 AromaticContact CE1-CD2 3.97Å; H28-H95 AromaticContact NE2-CD2 3.76Å; H28-H95 AromaticContact NE2-CE1 3.89Å; H28-H95 AromaticContact NE2-CG 3.63Å; H28-H95 AromaticContact NE2-ND1 3.71Å; H28-H95 AromaticContact NE2-NE2 3.95Å
29	A	92.4	Very high	81.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-63.3	-40.2	174.5	0	0	0	0	0	112	L25 S26 L32 A33 E102 L103	L25-A29 HydrophobicContact CB-CB 4.12Å; L25-A29 HydrophobicContact CD2-CB 4.2Å; S26-A29 PolarHBondContact O-N 3.47Å; S26-A29 VanDerWaalsContact OG-CB 3.29Å; S26-A29 WeakPolarHBondContact OG-CB 3.32Å; S26-A29 PolarHBondContact OG-N 3.47Å; S26-A29 VanDerWaalsContact OG-N 3.13Å; A29-L32 PolarHBondContact O-N 3.27Å; A29-A33 WeakPolarHBondContact O-CB 3.36Å; A29-A33 PolarHBondContact O-N 3.15Å; A29-E102 HydrophobicContact CB-CB 4.23Å; A29-E102 HydrophobicContact CB-CG 4.22Å; A29-E102 VanDerWaalsContact CB-OE2 3.27Å; A29-E102 WeakPolarHBondContact CB-OE2 3.09Å; A29-L103 HydrophobicContact CB-CD2 4.26Å; A29-L103 HydrophobicContact CB-CG 4.2Å
30	N	91.8	Very high	84.7	Confident	55 Å²	55	57 Å²	57	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-61.6	-47.3	174.3	-72.9	-58.8	0	0	0	112	L25 S26 S27 L32 A33 D34	L25-N30 WeakPolarHBondContact CB-OD1 3.33Å; L25-N30 PolarHBondContact O-ND2 3.16Å; S26-N30 PolarHBondContact O-N 2.93Å; S26-N30 PolarHBondContact O-ND2 3.41Å; S27-N30 PolarHBondContact O-N 3.43Å; N30-L32 VanDerWaalsContact C-N 3.29Å; N30-L32 PolarHBondContact O-N 3.35Å; N30-A33 WeakPolarHBondContact O-CB 3.33Å; N30-A33 PolarHBondContact O-N 3.03Å; N30-D34 PolarHBondContact O-N 2.89Å
31	T	93.3	Very high	87.4	Confident	65 Å²	65	53.1 Å²	53.1	40%	0.399	28%	0.275	S	S	.	.	H	α-helix	trans	-58.8	-42.4	174.9	-57.6	0	0	0	0	111.6	S27 H28 A33 D34 N35	S27-T31 PolarHBondContact O-N 2.93Å; S27-T31 VanDerWaalsContact O-N 3.07Å; S27-T31 PolarHBondContact O-OG1 2.78Å; H28-T31 PolarHBondContact O-N 3.34Å; T31-A33 VanDerWaalsContact C-N 3.32Å; T31-A33 PolarHBondContact O-N 2.94Å; T31-D34 PolarHBondContact O-N 2.99Å; T31-N35 WeakPolarHBondContact O-CB 3.35Å; T31-N35 VanDerWaalsContact O-CG 3.27Å; T31-N35 PolarHBondContact O-N 3.36Å; T31-N35 PolarHBondContact O-OD1 2.83Å
32	L	95.6	Very high	90.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-70	-27.8	179.4	-74.1	162.5	0	0	0	112.9	H28 A29 N30 S36 A88 L91 L96 L100 L103	H28-L32 WeakPolarHBondContact O-CB 3.5Å; H28-L32 WeakPolarHBondContact O-CD1 3.28Å; H28-L32 VanDerWaalsContact O-CG 3.3Å; H28-L32 WeakPolarHBondContact O-CG 3.27Å; H28-L32 PolarHBondContact O-N 3.31Å; A29-L32 PolarHBondContact O-N 3.27Å; N30-L32 VanDerWaalsContact C-N 3.29Å; N30-L32 PolarHBondContact O-N 3.35Å; L32-S36 WeakPolarHBondContact O-CB 3.45Å; L32-S36 PolarHBondContact O-N 3.45Å; L32-S36 PolarHBondContact O-OG 3.45Å; L32-A88 HydrophobicContact CD2-CB 4.34Å; L32-L91 HydrophobicContact CD1-CD1 4.15Å; L32-L91 HydrophobicContact CD2-CD1 3.82Å; L32-L91 HydrophobicContact CG-CD1 3.86Å; L32-L96 HydrophobicContact CD1-CD1 4.49Å; L32-L96 HydrophobicContact CD2-CD1 3.66Å; L32-L100 HydrophobicContact CB-CD2 4.29Å; L32-L100 HydrophobicContact CD1-CG 4.2Å; L32-L100 HydrophobicContact CD2-CD2 4.29Å; L32-L100 HydrophobicContact CD2-CG 4.41Å; L32-L103 HydrophobicContact CB-CD1 3.78Å
33	A	94.4	Very high	92.1	Very high	7 Å²	7	41.2 Å²	41.2	6%	0.058	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-47.7	173.3	0	0	0	0	0	110.9	A29 N30 T31 S36 A37 L103 S388	A29-A33 WeakPolarHBondContact O-CB 3.36Å; A29-A33 PolarHBondContact O-N 3.15Å; N30-A33 WeakPolarHBondContact O-CB 3.33Å; N30-A33 PolarHBondContact O-N 3.03Å; T31-A33 VanDerWaalsContact C-N 3.32Å; T31-A33 PolarHBondContact O-N 2.94Å; A33-S36 PolarHBondContact O-N 3.29Å; A33-A37 WeakPolarHBondContact O-CB 3.39Å; A33-A37 PolarHBondContact O-N 2.96Å; A33-L103 HydrophobicContact CB-CD1 4.2Å; A33-L103 HydrophobicContact CB-CD2 3.9Å; A33-S388 WeakPolarHBondContact CB-OG 3.3Å
34	D	93.4	Very high	93.9	Very high	74 Å²	74	35.4 Å²	35.4	40%	0.396	20%	0.196	S	C	.	.	H	α-helix	trans	-62.7	-44.4	175.6	-80.6	-34.9	0	0	0	111.8	N30 T31 S36 A37 N38 K276	N30-D34 PolarHBondContact O-N 2.89Å; T31-D34 PolarHBondContact O-N 2.99Å; D34-S36 PolarHBondContact O-N 2.83Å; D34-A37 WeakPolarHBondContact O-CB 3.14Å; D34-A37 PolarHBondContact O-N 3.01Å; D34-N38 VanDerWaalsContact O-CG 3.28Å; D34-N38 PolarHBondContact O-N 3.46Å; D34-N38 PolarHBondContact O-ND2 2.93Å; D34-K276 IonicContact OD1-NZ 3.26Å
35	N	96.1	Very high	94.9	Very high	20 Å²	20	29.1 Å²	29.1	11%	0.107	17%	0.169	C	C	.	.	H	α-helix	trans	-61.5	-43.7	176.3	-78	9.5	0	0	0	112.3	T31 A37 N38 L39 L86 S87	T31-N35 WeakPolarHBondContact O-CB 3.35Å; T31-N35 VanDerWaalsContact O-CG 3.27Å; T31-N35 PolarHBondContact O-N 3.36Å; T31-N35 PolarHBondContact O-OD1 2.83Å; N35-A37 VanDerWaalsContact C-N 3.34Å; N35-N38 PolarHBondContact O-N 2.66Å; N35-L39 WeakPolarHBondContact O-CB 2.85Å; N35-L39 PolarHBondContact O-N 2.6Å; N35-L86 WeakPolarHBondContact CB-O 3.17Å; N35-L86 VanDerWaalsContact CG-O 3.27Å; N35-L86 PolarHBondContact ND2-O 2.71Å; N35-S87 PolarHBondContact ND2-O 2.85Å
36	S	96.8	Very high	95.4	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-62.9	-42.4	176.7	-59.2	0	0	0	0	110.8	L32 A33 D34 L39 A40 A64	L32-S36 WeakPolarHBondContact O-CB 3.45Å; L32-S36 PolarHBondContact O-N 3.45Å; L32-S36 PolarHBondContact O-OG 3.45Å; A33-S36 PolarHBondContact O-N 3.29Å; D34-S36 PolarHBondContact O-N 2.83Å; S36-L39 PolarHBondContact O-N 2.84Å; S36-A40 WeakPolarHBondContact O-CB 3.35Å; S36-A40 PolarHBondContact O-N 3.21Å; S36-A64 WeakPolarHBondContact OG-CB 3.31Å
37	A	96.2	Very high	95.8	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.017	16%	0.164	C	C	.	.	H	α-helix	trans	-60.3	-47.7	174.9	0	0	0	0	0	111.6	A33 D34 N35 L39 A40 F41 I389	A33-A37 WeakPolarHBondContact O-CB 3.39Å; A33-A37 PolarHBondContact O-N 2.96Å; D34-A37 WeakPolarHBondContact O-CB 3.14Å; D34-A37 PolarHBondContact O-N 3.01Å; N35-A37 VanDerWaalsContact C-N 3.34Å; A37-L39 PolarHBondContact O-N 3.26Å; A37-A40 WeakPolarHBondContact O-CB 3.39Å; A37-A40 PolarHBondContact O-N 2.92Å; A37-A40 VanDerWaalsContact O-N 3.1Å; A37-F41 VanDerWaalsContact O-CD2 3.24Å; A37-F41 WeakPolarHBondContact O-CD2 3.21Å; A37-F41 PolarHBondContact O-N 3.2Å; A37-I389 HydrophobicContact CB-CB 4.22Å; A37-I389 HydrophobicContact CB-CD1 3.86Å; A37-I389 HydrophobicContact CB-CG1 4.04Å
38	N	96.4	Very high	96.1	Very high	69 Å²	69	26.3 Å²	26.3	37%	0.369	15%	0.145	S	C	.	.	H	α-helix	trans	-60.5	-44.1	177.1	-69.7	-26.3	0	0	0	112	D34 N35 A40 F41 S42 K276	D34-N38 VanDerWaalsContact O-CG 3.28Å; D34-N38 PolarHBondContact O-N 3.46Å; D34-N38 PolarHBondContact O-ND2 2.93Å; N35-N38 PolarHBondContact O-N 2.66Å; N38-A40 VanDerWaalsContact C-N 3.29Å; N38-A40 PolarHBondContact O-N 2.94Å; N38-F41 PolarHBondContact O-N 3.46Å; N38-S42 PolarHBondContact O-N 3.36Å; N38-S42 PolarHBondContact O-OG 3.22Å; N38-K276 WeakPolarHBondContact OD1-CD 3.36Å
39	L	97.9	Very high	96.3	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-57.9	-43.1	173.1	173.3	62.8	0	0	0	111.2	N35 S36 A37 F41 S42 L43 V63 L67 V85 L86 L313	N35-L39 WeakPolarHBondContact O-CB 2.85Å; N35-L39 PolarHBondContact O-N 2.6Å; S36-L39 PolarHBondContact O-N 2.84Å; A37-L39 PolarHBondContact O-N 3.26Å; L39-F41 PolarHBondContact O-N 3.02Å; L39-S42 PolarHBondContact O-N 2.91Å; L39-L43 VanDerWaalsContact O-CB 3.24Å; L39-L43 WeakPolarHBondContact O-CB 3.39Å; L39-L43 PolarHBondContact O-N 3.32Å; L39-V63 HydrophobicContact CD2-CG1 3.89Å; L39-V63 HydrophobicContact CG-CG1 4.48Å; L39-L67 HydrophobicContact CD2-CD1 3.41Å; L39-L67 VanDerWaalsContact CD2-CD1 3.41Å; L39-V85 HydrophobicContact CD1-CG1 3.8Å; L39-L86 HydrophobicContact CD2-CD2 3.63Å; L39-L313 HydrophobicContact CD1-CD1 4.04Å
40	A	97.9	Very high	96.4	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.017	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-37	-179.9	0	0	0	0	0	113	S36 A37 N38 Y44 V58 P60 I392	S36-A40 WeakPolarHBondContact O-CB 3.35Å; S36-A40 PolarHBondContact O-N 3.21Å; A37-A40 WeakPolarHBondContact O-CB 3.39Å; A37-A40 PolarHBondContact O-N 2.92Å; A37-A40 VanDerWaalsContact O-N 3.1Å; N38-A40 VanDerWaalsContact C-N 3.29Å; N38-A40 PolarHBondContact O-N 2.94Å; A40-Y44 WeakPolarHBondContact O-CB 3.22Å; A40-Y44 PolarHBondContact O-N 3.48Å; A40-V58 HydrophobicContact CB-CG1 4.36Å; A40-P60 HydrophobicContact CB-CB 3.7Å; A40-P60 HydrophobicContact CB-CG 3.5Å; A40-P60 VanDerWaalsContact CB-CG 3.5Å; A40-I392 HydrophobicContact CB-CG2 3.9Å
41	F	98.3	Very high	96.4	Very high	10 Å²	10	39 Å²	39	4%	0.044	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-46.8	170.6	-79.8	-80.2	0	0	0	111.5	A37 N38 L39 L43 Y44 H45 L274 K276 V279 L380 I389 I392	A37-F41 VanDerWaalsContact O-CD2 3.24Å; A37-F41 WeakPolarHBondContact O-CD2 3.21Å; A37-F41 PolarHBondContact O-N 3.2Å; N38-F41 PolarHBondContact O-N 3.46Å; L39-F41 PolarHBondContact O-N 3.02Å; F41-L43 VanDerWaalsContact C-N 3.32Å; F41-L43 PolarHBondContact O-N 3.44Å; F41-Y44 PolarHBondContact O-N 3.35Å; F41-H45 PolarHBondContact O-CD2 2.78Å; F41-H45 PolarHBondContact O-N 2.75Å; F41-L274 HydrophobicContact CD1-CG 4.21Å; F41-L274 HydrophobicContact CE1-CD1 4.19Å; F41-L274 HydrophobicContact CE1-CD2 4.5Å; F41-L274 HydrophobicContact CE1-CG 3.91Å; F41-K276 HydrophobicContact CD2-CB 3.98Å; F41-K276 HydrophobicContact CE2-CB 3.62Å; F41-K276 HydrophobicContact CE2-CG 4.11Å; F41-K276 HydrophobicContact CZ-CB 4.19Å; F41-V279 HydrophobicContact CE1-CG2 4.22Å; F41-V279 HydrophobicContact CZ-CG2 4.11Å; F41-L380 HydrophobicContact CE1-CD2 4.42Å; F41-L380 HydrophobicContact CZ-CD2 3.86Å; F41-I389 HydrophobicContact CD2-CD1 4.39Å; F41-I389 HydrophobicContact CE2-CD1 3.39Å; F41-I389 HydrophobicContact CZ-CD1 3.91Å; F41-I392 HydrophobicContact CD1-CD1 3.65Å; F41-I392 HydrophobicContact CE1-CD1 3.63Å; F41-I392 HydrophobicContact CG-CD1 4.2Å; F41-I392 HydrophobicContact CZ-CD1 4.16Å
42	S	98.1	Very high	96.2	Very high	57 Å²	57	43 Å²	43	40%	0.399	22%	0.219	S	C	.	.	H	α-helix	trans	-59.5	-43.8	177.4	-63.7	0	0	0	0	111.9	N38 L39 H45 K46	N38-S42 PolarHBondContact O-N 3.36Å; N38-S42 PolarHBondContact O-OG 3.22Å; L39-S42 PolarHBondContact O-N 2.91Å; S42-H45 PolarHBondContact O-N 3.09Å; S42-K46 WeakPolarHBondContact O-CG 3.32Å; S42-K46 PolarHBondContact O-N 2.66Å
43	L	98.2	Very high	96.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.2	-45.4	177.6	-177.5	61.8	0	0	0	111.6	L39 F41 H45 K46 M47 V58 V63 L306 Y309 L313	L39-L43 VanDerWaalsContact O-CB 3.24Å; L39-L43 WeakPolarHBondContact O-CB 3.39Å; L39-L43 PolarHBondContact O-N 3.32Å; F41-L43 VanDerWaalsContact C-N 3.32Å; F41-L43 PolarHBondContact O-N 3.44Å; L43-H45 VanDerWaalsContact C-N 3.3Å; L43-H45 PolarHBondContact O-N 3.49Å; L43-K46 PolarHBondContact O-N 3.16Å; L43-M47 HydrophobicContact CD1-CG 4.36Å; L43-M47 HydrophobicContact CD1-SD 4.14Å; L43-M47 HydrophobicContact CD2-SD 4.44Å; L43-M47 HydrophobicContact CG-CG 4.49Å; L43-M47 HydrophobicContact CG-SD 3.8Å; L43-M47 WeakPolarHBondContact O-CB 3.28Å; L43-M47 VanDerWaalsContact O-CG 3.22Å; L43-M47 WeakPolarHBondContact O-CG 3.23Å; L43-M47 PolarHBondContact O-N 2.85Å; L43-V58 HydrophobicContact CD2-CG1 4.1Å; L43-V63 HydrophobicContact CD2-CG1 3.98Å; L43-V63 HydrophobicContact CD2-CG2 4.07Å; L43-L306 HydrophobicContact CD1-CD2 4.3Å; L43-L306 HydrophobicContact CD2-CD1 3.89Å; L43-L306 HydrophobicContact CD2-CD2 4.01Å; L43-L306 HydrophobicContact CD2-CG 4.49Å; L43-L306 HydrophobicContact CG-CD2 4.46Å; L43-Y309 VanDerWaalsContact CD1-CB 3.48Å; L43-Y309 HydrophobicContact CD1-CG 4.31Å; L43-L313 HydrophobicContact CB-CD1 4.24Å; L43-L313 HydrophobicContact CD1-CD1 4.25Å
44	Y	98.6	Very high	96.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-53.6	-48.7	173.7	176.7	-77.5	0	0	0	110.7	A40 F41 K46 M47 A48 I56 E271 L274 I378 I392 R394	A40-Y44 WeakPolarHBondContact O-CB 3.22Å; A40-Y44 PolarHBondContact O-N 3.48Å; F41-Y44 PolarHBondContact O-N 3.35Å; Y44-K46 PolarHBondContact O-N 3.21Å; Y44-M47 PolarHBondContact O-N 2.85Å; Y44-A48 HydrophobicContact CD1-CB 4.49Å; Y44-A48 HydrophobicContact CE1-CB 4.15Å; Y44-A48 VanDerWaalsContact O-CB 3.29Å; Y44-A48 WeakPolarHBondContact O-CB 3.22Å; Y44-A48 PolarHBondContact O-N 3.38Å; Y44-I56 HydrophobicContact CD2-CB 4.43Å; Y44-I56 HydrophobicContact CD2-CD1 4.35Å; Y44-I56 HydrophobicContact CD2-CG2 3.84Å; Y44-I56 HydrophobicContact CE2-CB 4.28Å; Y44-I56 HydrophobicContact CE2-CD1 4.19Å; Y44-I56 HydrophobicContact CE2-CG2 4.19Å; Y44-E271 HydrophobicContact CE1-CG 3.83Å; Y44-E271 WeakPolarHBondContact CE1-OE1 3.41Å; Y44-E271 PolarHBondContact OH-OE1 3.42Å; Y44-L274 HydrophobicContact CD1-CD2 3.9Å; Y44-L274 HydrophobicContact CE1-CD2 3.61Å; Y44-I378 WeakPolarHBondContact OH-CD1 3.4Å; Y44-I392 HydrophobicContact CD2-CD1 4.13Å; Y44-I392 HydrophobicContact CD2-CG1 3.89Å; Y44-I392 HydrophobicContact CE2-CG1 4.4Å; Y44-I392 HydrophobicContact CG-CD1 4.15Å; Y44-I392 HydrophobicContact CG-CG1 4.42Å; Y44-R394 HydrophobicContact CE2-CB 4.36Å; Y44-R394 WeakPolarHBondContact OH-CD 3.38Å
45	H	98.3	Very high	96.3	Very high	51 Å²	51	45.2 Å²	45.2	24%	0.236	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-42	179.7	-76.7	-48.4	0	0	0	112.7	F41 S42 L43 M47 A48 Q49 E271 L274	F41-H45 PolarHBondContact O-CD2 2.78Å; F41-H45 PolarHBondContact O-N 2.75Å; S42-H45 PolarHBondContact O-N 3.09Å; L43-H45 VanDerWaalsContact C-N 3.3Å; L43-H45 PolarHBondContact O-N 3.49Å; H45-M47 VanDerWaalsContact C-N 3.35Å; H45-A48 PolarHBondContact O-N 2.79Å; H45-Q49 WeakPolarHBondContact O-CG 3.43Å; H45-Q49 PolarHBondContact O-N 3.09Å; H45-E271 PolarHBondContact CE1-O 3.43Å; H45-L274 PolarHBondContact CE1-O 3.07Å; H45-L274 VanDerWaalsContact CE1-O 3.3Å; H45-L274 PolarHBondContact NE2-O 3.23Å
46	K	97.6	Very high	96.4	Very high	58 Å²	58	44.3 Å²	44.3	25%	0.252	22%	0.223	S	C	.	.	H	α-helix	trans	-62.3	-41.9	174.9	-74.3	-59.5	-159.7	154.6	0	112.5	S42 L43 Y44 Y309 E312 L313	S42-K46 WeakPolarHBondContact O-CG 3.32Å; S42-K46 PolarHBondContact O-N 2.66Å; L43-K46 PolarHBondContact O-N 3.16Å; Y44-K46 PolarHBondContact O-N 3.21Å; K46-Y309 HydrophobicContact CB-CD1 4.08Å; K46-E312 WeakPolarHBondContact CD-OE2 3.33Å; K46-E312 IonicContact NZ-OE2 2.74Å; K46-E312 PolarHBondContact NZ-OE2 3.46Å; K46-L313 HydrophobicContact CG-CD2 3.98Å; K46-L313 HydrophobicContact CG-CG 4.26Å
47	M	98.1	Very high	96.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69.9	-38.1	178.2	-67.8	169.5	64.4	0	0	112.3	L43 Y44 H45 Q49 D50 T53 I56 V58 H304 L306 Y309	L43-M47 HydrophobicContact CD1-CG 4.36Å; L43-M47 HydrophobicContact CD1-SD 4.14Å; L43-M47 HydrophobicContact CD2-SD 4.44Å; L43-M47 HydrophobicContact CG-CG 4.49Å; L43-M47 HydrophobicContact CG-SD 3.8Å; L43-M47 WeakPolarHBondContact O-CB 3.28Å; L43-M47 VanDerWaalsContact O-CG 3.22Å; L43-M47 WeakPolarHBondContact O-CG 3.23Å; L43-M47 PolarHBondContact O-N 2.85Å; Y44-M47 PolarHBondContact O-N 2.85Å; H45-M47 VanDerWaalsContact C-N 3.35Å; M47-Q49 PolarHBondContact O-N 2.94Å; M47-D50 WeakPolarHBondContact O-CB 3.49Å; M47-D50 PolarHBondContact O-N 3Å; M47-D50 VanDerWaalsContact O-N 3.09Å; M47-T53 PolarHBondContact O-OG1 3.44Å; M47-I56 HydrophobicContact CB-CD1 3.94Å; M47-I56 HydrophobicContact CE-CG1 4.35Å; M47-I56 HydrophobicContact CE-CG2 3.85Å; M47-I56 HydrophobicContact SD-CG2 4.45Å; M47-V58 HydrophobicContact CE-CG2 4.21Å; M47-V58 HydrophobicContact SD-CG2 3.95Å; M47-H304 HydrophobicContact CE-CB 3.98Å; M47-H304 WeakPolarHBondContact CE-CE1 3.43Å; M47-H304 WeakPolarHBondContact CE-ND1 3.41Å; M47-L306 HydrophobicContact CE-CD2 4.31Å; M47-L306 HydrophobicContact SD-CD2 3.86Å; M47-Y309 HydrophobicContact CG-CD1 4.16Å; M47-Y309 HydrophobicContact CG-CD2 3.71Å; M47-Y309 HydrophobicContact CG-CE1 4.12Å; M47-Y309 HydrophobicContact CG-CE2 3.69Å; M47-Y309 HydrophobicContact CG-CG 3.95Å
48	A	97.4	Very high	96.6	Very high	18 Å²	18	44.2 Å²	44.2	15%	0.149	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-26.5	179.7	0	0	0	0	0	113.2	Y44 H45 D50 I56	Y44-A48 HydrophobicContact CD1-CB 4.49Å; Y44-A48 HydrophobicContact CE1-CB 4.15Å; Y44-A48 VanDerWaalsContact O-CB 3.29Å; Y44-A48 WeakPolarHBondContact O-CB 3.22Å; Y44-A48 PolarHBondContact O-N 3.38Å; H45-A48 PolarHBondContact O-N 2.79Å; A48-D50 VanDerWaalsContact C-N 3.29Å; A48-I56 HydrophobicContact CB-CD1 4.2Å
49	Q	95.8	Very high	96.6	Very high	139 Å²	139	41 Å²	41	65%	0.65	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-19.8	173.8	-70.3	169.5	4.6	0	0	113.3	H45 M47 K51	H45-Q49 WeakPolarHBondContact O-CG 3.43Å; H45-Q49 PolarHBondContact O-N 3.09Å; M47-Q49 PolarHBondContact O-N 2.94Å; Q49-K51 PolarHBondContact O-N 2.97Å
50	D	94.8	Very high	96.6	Very high	32 Å²	32	40.7 Å²	40.7	17%	0.171	20%	0.203	C	C	.	.			trans	-79.8	112.8	176.5	-171.6	-16.7	0	0	0	110.4	M47 A48 N52 T53 K308 Y309	M47-D50 WeakPolarHBondContact O-CB 3.49Å; M47-D50 PolarHBondContact O-N 3Å; M47-D50 VanDerWaalsContact O-N 3.09Å; A48-D50 VanDerWaalsContact C-N 3.29Å; D50-N52 PolarHBondContact O-N 3.46Å; D50-N52 VanDerWaalsContact O-N 3.1Å; D50-N52 WeakPolarHBondContact OD1-CB 3.33Å; D50-N52 PolarHBondContact OD1-N 2.79Å; D50-N52 PolarHBondContact OD1-ND2 3.24Å; D50-T53 WeakPolarHBondContact O-CB 3.44Å; D50-T53 PolarHBondContact O-N 2.85Å; D50-K308 IonicContact OD2-NZ 2.57Å; D50-K308 PolarHBondContact OD2-NZ 2.83Å; D50-Y309 HydrophobicContact CB-CE1 4.36Å; D50-Y309 PolarHBondContact OD2-OH 3.41Å
51	K	90.6	Very high	96.5	Very high	207 Å²	207	40.7 Å²	40.7	90%	0.9	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.2	-178.1	-64.2	-173.6	179	-177.6	0	113.9	Q49 T53	Q49-K51 PolarHBondContact O-N 2.97Å; K51-T53 VanDerWaalsContact C-N 3.35Å
52	N	90.1	Very high	96.5	Very high	148 Å²	148	40.2 Å²	40.2	79%	0.791	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-8.6	177.2	-57.5	-56.3	0	0	0	112.8	D50 E54	D50-N52 PolarHBondContact O-N 3.46Å; D50-N52 VanDerWaalsContact O-N 3.1Å; D50-N52 WeakPolarHBondContact OD1-CB 3.33Å; D50-N52 PolarHBondContact OD1-N 2.79Å; D50-N52 PolarHBondContact OD1-ND2 3.24Å; N52-E54 PolarHBondContact O-N 2.71Å
53	T	93.3	Very high	96.5	Very high	18 Å²	18	37.6 Å²	37.6	11%	0.11	18%	0.183	C	C	.	.			trans	-89.2	104.6	179.1	-57.1	0	0	0	0	109.4	M47 D50 K51 I56 R394	M47-T53 PolarHBondContact O-OG1 3.44Å; D50-T53 WeakPolarHBondContact O-CB 3.44Å; D50-T53 PolarHBondContact O-N 2.85Å; K51-T53 VanDerWaalsContact C-N 3.35Å; T53-I56 HydrophobicContact CG2-CD1 4.01Å; T53-I56 HydrophobicContact CG2-CG1 3.55Å; T53-R394 PolarHBondContact O-NH2 3.01Å
54	E	94.3	Very high	96.5	Very high	88 Å²	88	37.6 Å²	37.6	41%	0.411	18%	0.183	S	C	.	.			trans	-79.1	-78.6	173.7	-68.2	-179.3	125.4	0	0	110.4	N52 R394 V396 R397	N52-E54 PolarHBondContact O-N 2.71Å; E54-R394 PolarHBondContact O-NE 2.92Å; E54-V396 WeakPolarHBondContact O-CG2 3.38Å; E54-R397 WeakPolarHBondContact OE1-CD 3.39Å; E54-R397 IonicContact OE1-NH1 2.99Å; E54-R397 PolarHBondContact OE1-NH1 3.29Å
55	N	98.2	Very high	96.4	Very high	22 Å²	22	37.6 Å²	37.6	12%	0.118	18%	0.183	C	C	.	.			trans	-87.4	146.5	-179.3	-58.2	-48.5	0	0	0	111.4	L300 V302 H304 R394 V396 R397	N55-L300 HydrophobicContact CB-CD1 4.13Å; N55-L300 HydrophobicContact CB-CD2 4.2Å; N55-L300 VanDerWaalsContact ND2-CD1 3.34Å; N55-L300 WeakPolarHBondContact ND2-CD1 3.5Å; N55-V302 HydrophobicContact CB-CG2 3.98Å; N55-V302 WeakPolarHBondContact O-CG1 3.29Å; N55-H304 PolarHBondContact O-CE1 3.2Å; N55-R394 WeakPolarHBondContact CA-O 3.44Å; N55-V396 PolarHBondContact OD1-N 3.44Å; N55-R397 PolarHBondContact ND2-O 2.71Å; N55-R397 PolarHBondContact OD1-N 3.34Å; N55-R397 PolarHBondContact OD1-O 3.42Å
56	I	98.6	Very high	96.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.7	176.6	-60.6	174.6	0	0	0	108.5	Y44 M47 A48 T53 V58 G393 R394	Y44-I56 HydrophobicContact CD2-CB 4.43Å; Y44-I56 HydrophobicContact CD2-CD1 4.35Å; Y44-I56 HydrophobicContact CD2-CG2 3.84Å; Y44-I56 HydrophobicContact CE2-CB 4.28Å; Y44-I56 HydrophobicContact CE2-CD1 4.19Å; Y44-I56 HydrophobicContact CE2-CG2 4.19Å; M47-I56 HydrophobicContact CB-CD1 3.94Å; M47-I56 HydrophobicContact CE-CG1 4.35Å; M47-I56 HydrophobicContact CE-CG2 3.85Å; M47-I56 HydrophobicContact SD-CG2 4.45Å; A48-I56 HydrophobicContact CB-CD1 4.2Å; T53-I56 HydrophobicContact CG2-CD1 4.01Å; T53-I56 HydrophobicContact CG2-CG1 3.55Å; I56-V58 HydrophobicContact CG2-CG2 3.89Å; I56-G393 CarbonylContact O-C 3.57Å; I56-G393 WeakPolarHBondContact O-CA 3.36Å; I56-R394 HydrophobicContact CB-CG 4Å; I56-R394 HydrophobicContact CD1-CG 4.28Å; I56-R394 HydrophobicContact CG1-CG 4.05Å; I56-R394 PolarHBondContact N-O 3.34Å; I56-R394 PolarHBondContact O-N 3.11Å
57	V	97.9	Very high	96.5	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	113.6	174.1	-177.7	0	0	0	0	106.7	L300 V302 H304 F379 Y391	V57-L300 HydrophobicContact CG2-CD2 3.89Å; V57-V302 HydrophobicContact CB-CB 4.36Å; V57-V302 HydrophobicContact CB-CG2 4.37Å; V57-V302 HydrophobicContact CG2-CB 4.15Å; V57-V302 HydrophobicContact CG2-CG2 3.64Å; V57-H304 PolarHBondContact N-NE2 2.8Å; V57-H304 PolarHBondContact O-CD2 3.12Å; V57-F379 HydrophobicContact CG1-CZ 4.46Å; V57-F379 HydrophobicContact CG2-CZ 4.15Å; V57-Y391 HydrophobicContact CG1-CD1 3.65Å; V57-Y391 HydrophobicContact CG1-CE1 3.58Å
58	V	97.9	Very high	96.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	124.8	-176.4	175.6	0	0	0	0	109.4	A40 L43 M47 I56 P60 V63 Y391 I392	A40-V58 HydrophobicContact CB-CG1 4.36Å; L43-V58 HydrophobicContact CD2-CG1 4.1Å; M47-V58 HydrophobicContact CE-CG2 4.21Å; M47-V58 HydrophobicContact SD-CG2 3.95Å; I56-V58 HydrophobicContact CG2-CG2 3.89Å; V58-P60 WeakPolarHBondContact O-CD 3.36Å; V58-V63 HydrophobicContact CG1-CG2 3.8Å; V58-Y391 CarbonylContact O-C 3.54Å; V58-Y391 WeakPolarHBondContact O-CA 3.31Å; V58-Y391 WeakPolarHBondContact O-CD1 3.43Å; V58-I392 HydrophobicContact CB-CG2 4.05Å; V58-I392 HydrophobicContact CG1-CG2 4.47Å; V58-I392 PolarHBondContact N-O 3.21Å; V58-I392 PolarHBondContact O-N 3.23Å
59	S	97.6	Very high	96.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	15%	0.154	C	C	.	.			trans	-93.2	112.2	167.9	-177.5	0	0	0	0	110.3	V61 V62 V63 H342 L390	S59-V61 PolarHBondContact O-N 3.15Å; S59-V62 PolarHBondContact O-N 2.98Å; S59-V63 WeakPolarHBondContact O-CG2 3.49Å; S59-V63 PolarHBondContact O-N 3.35Å; S59-V63 VanDerWaalsContact O-N 3.1Å; S59-H342 PolarHBondContact N-NE2 2.96Å; S59-L390 WeakPolarHBondContact CA-O 3.33Å; S59-L390 PolarHBondContact OG-O 3.39Å
60	P	97.4	Very high	96.6	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-57.3	-46.5	-174.2	-27.2	36.8	0	0	0	113.5	A40 V58 V62 V63 A64 I389 L390	A40-P60 HydrophobicContact CB-CB 3.7Å; A40-P60 HydrophobicContact CB-CG 3.5Å; A40-P60 VanDerWaalsContact CB-CG 3.5Å; V58-P60 WeakPolarHBondContact O-CD 3.36Å; P60-V62 VanDerWaalsContact C-N 3.32Å; P60-V62 PolarHBondContact O-N 3.08Å; P60-V63 PolarHBondContact O-N 2.99Å; P60-A64 WeakPolarHBondContact O-CB 3.47Å; P60-A64 PolarHBondContact O-N 2.9Å; P60-I389 HydrophobicContact CG-CB 4.14Å; P60-I389 HydrophobicContact CG-CG2 3.88Å; P60-I389 VanDerWaalsContact CG-O 3.3Å; P60-I389 WeakPolarHBondContact CG-O 3.48Å; P60-L390 WeakPolarHBondContact CD-O 3.49Å
61	V	95.3	Very high	96.8	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	12%	0.122	C	C	.	.	H	α-helix	trans	-65.1	-35.4	-177.7	174.8	0	0	0	0	111.7	S59 S65 L103 L104 V107	S59-V61 PolarHBondContact O-N 3.15Å; V61-S65 VanDerWaalsContact O-CB 3.3Å; V61-S65 WeakPolarHBondContact O-CB 3.17Å; V61-S65 PolarHBondContact O-N 2.65Å; V61-S65 PolarHBondContact O-OG 2.89Å; V61-L103 HydrophobicContact CG1-CB 3.84Å; V61-L103 HydrophobicContact CG2-CB 4.29Å; V61-L104 HydrophobicContact CG1-CB 4.21Å; V61-L104 HydrophobicContact CG1-CD1 4.24Å; V61-V107 HydrophobicContact CB-CG1 4.35Å; V61-V107 HydrophobicContact CB-CG2 4.32Å; V61-V107 HydrophobicContact CG1-CG1 4.44Å; V61-V107 HydrophobicContact CG1-CG2 3.96Å; V61-V107 HydrophobicContact CG2-CG1 4Å
62	V	97.6	Very high	97.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-73.4	-38.1	178.7	176.1	0	0	0	0	111.3	S59 P60 S65 S66 L104 I119 N191 M193	S59-V62 PolarHBondContact O-N 2.98Å; P60-V62 VanDerWaalsContact C-N 3.32Å; P60-V62 PolarHBondContact O-N 3.08Å; V62-S65 PolarHBondContact O-N 3.27Å; V62-S66 PolarHBondContact O-N 2.65Å; V62-S66 PolarHBondContact O-OG 3.05Å; V62-L104 HydrophobicContact CG2-CD1 4.27Å; V62-I119 HydrophobicContact CG1-CG2 4.48Å; V62-I119 HydrophobicContact CG2-CD1 3.79Å; V62-I119 HydrophobicContact CG2-CG1 4.33Å; V62-I119 HydrophobicContact CG2-CG2 3.78Å; V62-N191 HydrophobicContact CG1-CB 3.66Å; V62-N191 VanDerWaalsContact CG1-CG 3.49Å; V62-N191 WeakPolarHBondContact CG1-OD1 3.4Å; V62-M193 HydrophobicContact CB-SD 4.11Å; V62-M193 HydrophobicContact CG1-CE 4.42Å; V62-M193 HydrophobicContact CG1-SD 3.96Å; V62-M193 HydrophobicContact CG2-SD 3.86Å
63	V	98.4	Very high	97.5	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.006	5%	0.047	C	C	.	.	H	α-helix	trans	-62.7	-47.5	171.5	176.6	0	0	0	0	110.5	L39 L43 V58 S59 P60 S65 S66 L67 L306 L310	L39-V63 HydrophobicContact CD2-CG1 3.89Å; L39-V63 HydrophobicContact CG-CG1 4.48Å; L43-V63 HydrophobicContact CD2-CG1 3.98Å; L43-V63 HydrophobicContact CD2-CG2 4.07Å; V58-V63 HydrophobicContact CG1-CG2 3.8Å; S59-V63 WeakPolarHBondContact O-CG2 3.49Å; S59-V63 PolarHBondContact O-N 3.35Å; S59-V63 VanDerWaalsContact O-N 3.1Å; P60-V63 PolarHBondContact O-N 2.99Å; V63-S65 VanDerWaalsContact C-N 3.3Å; V63-S65 PolarHBondContact O-N 2.71Å; V63-S66 WeakPolarHBondContact O-CB 3.49Å; V63-S66 PolarHBondContact O-N 3.2Å; V63-S66 VanDerWaalsContact O-N 3.11Å; V63-L67 PolarHBondContact O-N 3Å; V63-L306 HydrophobicContact CG1-CD1 4.37Å; V63-L306 HydrophobicContact CG2-CD1 3.64Å; V63-L310 HydrophobicContact CG1-CD2 4.32Å
64	A	98.1	Very high	97.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-62.9	-36.2	177.6	0	0	0	0	0	112.6	S36 P60 L67 G68 L86 L100	S36-A64 WeakPolarHBondContact OG-CB 3.31Å; P60-A64 WeakPolarHBondContact O-CB 3.47Å; P60-A64 PolarHBondContact O-N 2.9Å; A64-L67 WeakPolarHBondContact O-CB 3.39Å; A64-L67 PolarHBondContact O-N 3.38Å; A64-G68 PolarHBondContact O-N 2.94Å; A64-L86 HydrophobicContact CB-CD2 3.65Å; A64-L100 HydrophobicContact CB-CD2 3.68Å; A64-L100 WeakPolarHBondContact O-CD1 3.05Å
65	S	97.6	Very high	97.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-65.3	-37.3	173	-61.8	0	0	0	0	112.5	V61 V62 V63 L67 G68 L69	V61-S65 VanDerWaalsContact O-CB 3.3Å; V61-S65 WeakPolarHBondContact O-CB 3.17Å; V61-S65 PolarHBondContact O-N 2.65Å; V61-S65 PolarHBondContact O-OG 2.89Å; V62-S65 PolarHBondContact O-N 3.27Å; V63-S65 VanDerWaalsContact C-N 3.3Å; V63-S65 PolarHBondContact O-N 2.71Å; S65-L67 VanDerWaalsContact C-N 3.33Å; S65-G68 PolarHBondContact O-N 2.61Å; S65-L69 PolarHBondContact O-N 3.25Å
66	S	98.4	Very high	97.5	Very high	3 Å²	3	11.3 Å²	11.3	2%	0.021	7%	0.071	C	C	.	.	H	α-helix	trans	-62.5	-42	173.8	-57.2	0	0	0	0	111.1	V62 V63 L69 V70 Y145 N191	V62-S66 PolarHBondContact O-N 2.65Å; V62-S66 PolarHBondContact O-OG 3.05Å; V63-S66 WeakPolarHBondContact O-CB 3.49Å; V63-S66 PolarHBondContact O-N 3.2Å; V63-S66 VanDerWaalsContact O-N 3.11Å; S66-L69 WeakPolarHBondContact O-CB 3.47Å; S66-L69 PolarHBondContact O-N 2.95Å; S66-V70 WeakPolarHBondContact O-CG2 3.2Å; S66-V70 PolarHBondContact O-N 2.86Å; S66-Y145 PolarHBondContact OG-OH 3.41Å; S66-N191 PolarHBondContact OG-ND2 2.81Å; S66-N191 PolarHBondContact OG-OD1 2.95Å
67	L	98.5	Very high	97.4	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-64.8	-43.1	172.5	-73.9	178.1	0	0	0	111.8	L39 V63 A64 S65 L69 V70 A71 V82 V85 L86 L310 L315	L39-L67 HydrophobicContact CD2-CD1 3.41Å; L39-L67 VanDerWaalsContact CD2-CD1 3.41Å; V63-L67 PolarHBondContact O-N 3Å; A64-L67 WeakPolarHBondContact O-CB 3.39Å; A64-L67 PolarHBondContact O-N 3.38Å; S65-L67 VanDerWaalsContact C-N 3.33Å; L67-L69 PolarHBondContact O-N 3.07Å; L67-V70 CarbonylContact O-C 3.45Å; L67-V70 WeakPolarHBondContact O-CA 3.48Å; L67-V70 WeakPolarHBondContact O-CB 3.34Å; L67-V70 PolarHBondContact O-N 2.78Å; L67-A71 PolarHBondContact O-N 3.07Å; L67-V82 HydrophobicContact CB-CG1 3.9Å; L67-V82 HydrophobicContact CD2-CG2 4.46Å; L67-V82 WeakPolarHBondContact O-CG1 3.36Å; L67-V85 HydrophobicContact CD1-CB 4.41Å; L67-V85 HydrophobicContact CD1-CG1 3.67Å; L67-L86 HydrophobicContact CB-CD1 3.9Å; L67-L86 HydrophobicContact CB-CG 4.27Å; L67-L86 HydrophobicContact CD1-CD1 4.3Å; L67-L86 HydrophobicContact CD1-CD2 3.92Å; L67-L86 HydrophobicContact CD1-CG 3.73Å; L67-L310 HydrophobicContact CD1-CD2 4.37Å; L67-L310 HydrophobicContact CD2-CD1 4.4Å; L67-L310 HydrophobicContact CD2-CD2 4.34Å; L67-L315 HydrophobicContact CD2-CD1 4.14Å; L67-L315 HydrophobicContact CD2-CD2 3.76Å; L67-L315 HydrophobicContact CD2-CG 4.46Å
68	G	98	Very high	97.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56.3	-36.3	173.5	0	0	0	0	0	113.5	A64 S65 A71 L72 H97 Y143	A64-G68 PolarHBondContact O-N 2.94Å; S65-G68 PolarHBondContact O-N 2.61Å; G68-A71 PolarHBondContact O-N 2.88Å; G68-L72 WeakPolarHBondContact O-CB 3.18Å; G68-L72 PolarHBondContact O-N 3.36Å; G68-H97 PolarHBondContact O-CE1 3.27Å; G68-Y143 VanDerWaalsContact CA-OH 3.3Å; G68-Y143 WeakPolarHBondContact CA-OH 3.23Å
69	L	98.3	Very high	97.3	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-65.2	-40.4	172.2	-171.7	73	0	0	0	112.2	S65 S66 L67 L72 G73 L123 F135 Y143 Y145 I189	S65-L69 PolarHBondContact O-N 3.25Å; S66-L69 WeakPolarHBondContact O-CB 3.47Å; S66-L69 PolarHBondContact O-N 2.95Å; L67-L69 PolarHBondContact O-N 3.07Å; L69-L72 PolarHBondContact O-N 2.94Å; L69-G73 PolarHBondContact O-N 2.78Å; L69-L123 HydrophobicContact CD2-CB 4.48Å; L69-L123 HydrophobicContact CD2-CD1 4.14Å; L69-F135 HydrophobicContact CD1-CE2 3.93Å; L69-F135 HydrophobicContact CD1-CZ 3.58Å; L69-F135 HydrophobicContact CG-CE2 4.41Å; L69-F135 HydrophobicContact CG-CZ 4.02Å; L69-Y143 HydrophobicContact CD1-CD2 4.39Å; L69-Y145 HydrophobicContact CD1-CD2 4.45Å; L69-Y145 HydrophobicContact CD1-CG 4.28Å; L69-Y145 HydrophobicContact CD2-CD1 3.54Å; L69-Y145 HydrophobicContact CD2-CD2 4.32Å; L69-Y145 HydrophobicContact CD2-CE1 3.42Å; L69-Y145 VanDerWaalsContact CD2-CE1 3.42Å; L69-Y145 HydrophobicContact CD2-CE2 4.21Å; L69-Y145 HydrophobicContact CD2-CG 4Å; L69-I189 HydrophobicContact CD2-CD1 3.99Å; L69-I189 HydrophobicContact CD2-CG1 3.98Å
70	V	98.4	Very high	97.2	Very high	6 Å²	6	17 Å²	17	4%	0.036	11%	0.112	C	C	.	.	H	α-helix	trans	-64.5	-41.9	174.3	178.2	0	0	0	0	110.8	S66 L67 L72 G73 G74 T78 V82 I189 L315 A318 L326 L337	S66-V70 WeakPolarHBondContact O-CG2 3.2Å; S66-V70 PolarHBondContact O-N 2.86Å; L67-V70 CarbonylContact O-C 3.45Å; L67-V70 WeakPolarHBondContact O-CA 3.48Å; L67-V70 WeakPolarHBondContact O-CB 3.34Å; L67-V70 PolarHBondContact O-N 2.78Å; V70-L72 VanDerWaalsContact C-N 3.32Å; V70-L72 PolarHBondContact O-N 2.82Å; V70-G73 PolarHBondContact O-N 3.27Å; V70-G74 WeakPolarHBondContact O-CA 3.26Å; V70-G74 PolarHBondContact O-N 2.73Å; V70-T78 HydrophobicContact CG1-CG2 4.47Å; V70-V82 HydrophobicContact CB-CG2 3.81Å; V70-V82 HydrophobicContact CG1-CG2 3.66Å; V70-I189 HydrophobicContact CG2-CD1 3.96Å; V70-L315 HydrophobicContact CG1-CD1 4.35Å; V70-A318 HydrophobicContact CG1-CB 3.82Å; V70-L326 HydrophobicContact CG1-CD2 4.35Å; V70-L337 HydrophobicContact CG2-CD2 3.84Å
71	A	98.1	Very high	97.2	Very high	12 Å²	12	18.5 Å²	18.5	10%	0.099	12%	0.119	C	C	.	.	H	α-helix	trans	-62.8	-39.2	175.1	0	0	0	0	0	112.1	L67 G68 V82 L96	L67-A71 PolarHBondContact O-N 3.07Å; G68-A71 PolarHBondContact O-N 2.88Å; A71-V82 HydrophobicContact CB-CB 4.02Å; A71-V82 HydrophobicContact CB-CG1 3.72Å; A71-V82 HydrophobicContact CB-CG2 4.27Å; A71-L96 HydrophobicContact CB-CD2 4.18Å
72	L	97.9	Very high	97.3	Very high	25 Å²	25	18.4 Å²	18.4	13%	0.131	12%	0.118	C	C	.	.	H	α-helix	trans	-67	-43.2	177.6	-175.2	69.4	0	0	0	112	G68 L69 V70 F135 T138 N328	G68-L72 WeakPolarHBondContact O-CB 3.18Å; G68-L72 PolarHBondContact O-N 3.36Å; L69-L72 PolarHBondContact O-N 2.94Å; V70-L72 VanDerWaalsContact C-N 3.32Å; V70-L72 PolarHBondContact O-N 2.82Å; L72-F135 HydrophobicContact CB-CE2 4.49Å; L72-F135 HydrophobicContact CD2-CD2 4.14Å; L72-F135 HydrophobicContact CD2-CE2 4.2Å; L72-F135 HydrophobicContact CG-CD2 4.15Å; L72-F135 HydrophobicContact CG-CE2 4.32Å; L72-T138 HydrophobicContact CD1-CG2 3.6Å; L72-T138 HydrophobicContact CD2-CG2 3.91Å; L72-T138 HydrophobicContact CG-CG2 4.38Å; L72-N328 PolarHBondContact O-ND2 3.06Å
73	G	97.3	Very high	97.2	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-80.6	-18.9	-179.6	0	0	0	0	0	114.5	L69 V70 L326 N328 I329	L69-G73 PolarHBondContact O-N 2.78Å; V70-G73 PolarHBondContact O-N 3.27Å; G73-L326 CarbonylContact O-C 3.39Å; G73-L326 VanDerWaalsContact O-CA 3.28Å; G73-L326 WeakPolarHBondContact O-CA 3.47Å; G73-N328 WeakPolarHBondContact O-CB 3.23Å; G73-N328 PolarHBondContact O-N 3.19Å; G73-N328 VanDerWaalsContact O-N 3.15Å; G73-I329 VanDerWaalsContact CA-CG1 3.49Å
74	G	96.8	Very high	97.1	Very high	4 Å²	4	23.9 Å²	23.9	4%	0.041	15%	0.149	C	C	.	.			trans	-91.7	163.6	-173.8	0	0	0	0	0	114.1	V70 D325 N328	V70-G74 WeakPolarHBondContact O-CA 3.26Å; V70-G74 PolarHBondContact O-N 2.73Å; G74-D325 CarbonylContact C-O 3.56Å; G74-D325 WeakPolarHBondContact CA-O 3.43Å; G74-N328 PolarHBondContact O-ND2 3.05Å
75	K	94.9	Very high	97.1	Very high	95 Å²	95	24.6 Å²	24.6	41%	0.413	15%	0.153	S	C	.	.			trans	-128.3	165.2	166.2	-68.7	-170.7	-175.4	174.8	0	111.6	S77 T78 A79 D325 S327 N328	K75-S77 PolarHBondContact O-N 2.84Å; K75-T78 WeakPolarHBondContact O-CB 3.25Å; K75-T78 PolarHBondContact O-N 2.99Å; K75-A79 PolarHBondContact O-N 2.93Å; K75-D325 HydrophobicContact CB-CB 4.41Å; K75-D325 PolarHBondContact N-O 2.86Å; K75-S327 WeakPolarHBondContact CD-OG 2.98Å; K75-S327 WeakPolarHBondContact CE-OG 3.37Å; K75-N328 WeakPolarHBondContact CE-OD1 3.32Å
76	A	94.2	Very high	97	Very high	82 Å²	82	24.6 Å²	24.6	68%	0.678	15%	0.153	S	C	*	.	H	α-helix	trans	47.4	-127.2	172.1	0	0	0	0	0	112	T78 A79 S80	A76-T78 PolarHBondContact O-N 2.57Å; A76-A79 PolarHBondContact O-N 3.2Å; A76-S80 PolarHBondContact O-N 3.15Å; A76-S80 PolarHBondContact O-OG 3.38Å
77	S	96.7	Very high	96.9	Very high	43 Å²	43	28 Å²	28	30%	0.301	18%	0.177	S	C	.	.	H	α-helix	trans	-67.6	-32.9	-174.1	-178.8	0	0	0	0	113.2	K75 A79 S80 Q81 E317	K75-S77 PolarHBondContact O-N 2.84Å; S77-A79 VanDerWaalsContact C-N 3.34Å; S77-A79 PolarHBondContact O-N 2.88Å; S77-S80 WeakPolarHBondContact CA-OG 3.45Å; S77-S80 PolarHBondContact O-N 2.86Å; S77-S80 PolarHBondContact O-OG 3.21Å; S77-Q81 WeakPolarHBondContact O-CB 3.32Å; S77-Q81 VanDerWaalsContact O-CG 3.3Å; S77-Q81 WeakPolarHBondContact O-CG 3.45Å; S77-Q81 PolarHBondContact O-N 3.03Å; S77-E317 VanDerWaalsContact C-OE2 3.3Å; S77-E317 WeakPolarHBondContact CB-OE1 3.44Å; S77-E317 WeakPolarHBondContact CB-OE2 3.24Å; S77-E317 PolarHBondContact OG-OE1 3.13Å; S77-E317 PolarHBondContact OG-OE2 3.11Å
78	T	96.9	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58	-44.4	172.4	-64.7	0	0	0	0	111.8	V70 K75 A76 E317 A318 D325 L326	V70-T78 HydrophobicContact CG1-CG2 4.47Å; K75-T78 WeakPolarHBondContact O-CB 3.25Å; K75-T78 PolarHBondContact O-N 2.99Å; A76-T78 PolarHBondContact O-N 2.57Å; T78-E317 PolarHBondContact N-OE2 2.65Å; T78-E317 PolarHBondContact OG1-OE2 2.7Å; T78-A318 HydrophobicContact CG2-CB 3.95Å; T78-D325 PolarHBondContact OG1-N 3.06Å; T78-L326 HydrophobicContact CG2-CD2 3.86Å
79	A	96.1	Very high	96.5	Very high	20 Å²	20	32.4 Å²	32.4	17%	0.165	20%	0.201	C	C	.	.	H	α-helix	trans	-76	-37.7	176.7	0	0	0	0	0	112.8	K75 A76 S77 V82	K75-A79 PolarHBondContact O-N 2.93Å; A76-A79 PolarHBondContact O-N 3.2Å; S77-A79 VanDerWaalsContact C-N 3.34Å; S77-A79 PolarHBondContact O-N 2.88Å; A79-V82 WeakPolarHBondContact O-CB 3.36Å; A79-V82 PolarHBondContact O-N 2.88Å
80	S	96.5	Very high	96.1	Very high	60 Å²	60	42.4 Å²	42.4	42%	0.42	24%	0.244	S	C	.	.	H	α-helix	trans	-70	-34.6	-178.5	66.7	0	0	0	0	112.7	A76 S77 V82 K83 T84	A76-S80 PolarHBondContact O-N 3.15Å; A76-S80 PolarHBondContact O-OG 3.38Å; S77-S80 WeakPolarHBondContact CA-OG 3.45Å; S77-S80 PolarHBondContact O-N 2.86Å; S77-S80 PolarHBondContact O-OG 3.21Å; S80-V82 PolarHBondContact O-N 3.19Å; S80-K83 WeakPolarHBondContact O-CB 3.21Å; S80-K83 PolarHBondContact O-N 3.32Å; S80-T84 PolarHBondContact O-N 3.37Å; S80-T84 PolarHBondContact O-OG1 2.86Å
81	Q	98.3	Very high	95.9	Very high	32 Å²	32	43.2 Å²	43.2	15%	0.15	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-34.3	175.3	-78.8	-177.9	-4.8	0	0	112.5	S77 K83 T84 V85 G314 L315 T316	S77-Q81 WeakPolarHBondContact O-CB 3.32Å; S77-Q81 VanDerWaalsContact O-CG 3.3Å; S77-Q81 WeakPolarHBondContact O-CG 3.45Å; S77-Q81 PolarHBondContact O-N 3.03Å; Q81-K83 VanDerWaalsContact C-N 3.32Å; Q81-K83 PolarHBondContact O-N 2.92Å; Q81-T84 PolarHBondContact O-N 2.58Å; Q81-V85 VanDerWaalsContact O-CG2 3.25Å; Q81-V85 WeakPolarHBondContact O-CG2 2.83Å; Q81-V85 PolarHBondContact O-N 3.32Å; Q81-G314 PolarHBondContact OE1-O 3.31Å; Q81-L315 HydrophobicContact CB-CD1 4.44Å; Q81-T316 PolarHBondContact NE2-OG1 2.85Å; Q81-T316 PolarHBondContact OE1-OG1 3.47Å
82	V	97.3	Very high	95.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.5	-45.9	174.4	164.8	0	0	0	0	111.5	L67 V70 A71 A79 S80 T84 V85 L86 L315	L67-V82 HydrophobicContact CB-CG1 3.9Å; L67-V82 HydrophobicContact CD2-CG2 4.46Å; L67-V82 WeakPolarHBondContact O-CG1 3.36Å; V70-V82 HydrophobicContact CB-CG2 3.81Å; V70-V82 HydrophobicContact CG1-CG2 3.66Å; A71-V82 HydrophobicContact CB-CB 4.02Å; A71-V82 HydrophobicContact CB-CG1 3.72Å; A71-V82 HydrophobicContact CB-CG2 4.27Å; A79-V82 WeakPolarHBondContact O-CB 3.36Å; A79-V82 PolarHBondContact O-N 2.88Å; S80-V82 PolarHBondContact O-N 3.19Å; V82-T84 VanDerWaalsContact C-N 3.32Å; V82-T84 PolarHBondContact O-N 3.05Å; V82-V85 PolarHBondContact O-N 3.01Å; V82-L86 HydrophobicContact CG1-CD1 3.93Å; V82-L86 WeakPolarHBondContact O-CB 3.44Å; V82-L86 PolarHBondContact O-N 2.87Å; V82-L315 HydrophobicContact CG2-CD1 3.6Å
83	K	94.5	Very high	95.5	Very high	34 Å²	34	52.5 Å²	52.5	15%	0.148	29%	0.29	C	S	.	.	H	α-helix	trans	-64	-41.3	-179.7	-70.7	-172.1	179.6	-179.2	0	111.2	S80 Q81 L86 S87 A88 L91 D93 L96	S80-K83 WeakPolarHBondContact O-CB 3.21Å; S80-K83 PolarHBondContact O-N 3.32Å; Q81-K83 VanDerWaalsContact C-N 3.32Å; Q81-K83 PolarHBondContact O-N 2.92Å; K83-L86 CarbonylContact O-C 3.59Å; K83-L86 PolarHBondContact O-N 2.89Å; K83-S87 PolarHBondContact O-N 2.88Å; K83-A88 PolarHBondContact O-N 3.41Å; K83-L91 WeakPolarHBondContact CE-O 3.24Å; K83-L91 PolarHBondContact NZ-O 2.97Å; K83-D93 WeakPolarHBondContact CE-OD1 3.44Å; K83-D93 IonicContact NZ-OD1 2.91Å; K83-D93 PolarHBondContact NZ-OD1 3.38Å; K83-L96 HydrophobicContact CG-CD2 4.21Å
84	T	96.7	Very high	95.4	Very high	82 Å²	82	59.5 Å²	59.5	50%	0.503	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-45.4	176.9	-53.3	0	0	0	0	111.4	S80 Q81 V82 L86 S87 D89	S80-T84 PolarHBondContact O-N 3.37Å; S80-T84 PolarHBondContact O-OG1 2.86Å; Q81-T84 PolarHBondContact O-N 2.58Å; V82-T84 VanDerWaalsContact C-N 3.32Å; V82-T84 PolarHBondContact O-N 3.05Å; T84-L86 VanDerWaalsContact C-N 3.27Å; T84-L86 PolarHBondContact O-N 2.63Å; T84-S87 PolarHBondContact O-N 2.84Å; T84-D89 VanDerWaalsContact CA-OD1 3.27Å; T84-D89 WeakPolarHBondContact CA-OD1 3.47Å; T84-D89 WeakPolarHBondContact CB-OD1 3.44Å; T84-D89 PolarHBondContact N-OD1 3.38Å; T84-D89 PolarHBondContact OG1-OD1 2.69Å
85	V	97.6	Very high	95.3	Very high	15 Å²	15	62.3 Å²	62.3	9%	0.091	33%	0.334	C	S	.	.	H	α-helix	trans	-60.4	-37.9	175.8	174	0	0	0	0	111.5	L39 L67 Q81 V82 S87 L315	L39-V85 HydrophobicContact CD1-CG1 3.8Å; L67-V85 HydrophobicContact CD1-CB 4.41Å; L67-V85 HydrophobicContact CD1-CG1 3.67Å; Q81-V85 VanDerWaalsContact O-CG2 3.25Å; Q81-V85 WeakPolarHBondContact O-CG2 2.83Å; Q81-V85 PolarHBondContact O-N 3.32Å; V82-V85 PolarHBondContact O-N 3.01Å; V85-S87 VanDerWaalsContact C-N 3.31Å; V85-L315 HydrophobicContact CG2-CB 4.24Å
86	L	96.1	Very high	95.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	1.1	175	-78	171.1	0	0	0	114.1	N35 L39 A64 L67 V82 K83 T84 A88 L96 L100	N35-L86 WeakPolarHBondContact CB-O 3.17Å; N35-L86 VanDerWaalsContact CG-O 3.27Å; N35-L86 PolarHBondContact ND2-O 2.71Å; L39-L86 HydrophobicContact CD2-CD2 3.63Å; A64-L86 HydrophobicContact CB-CD2 3.65Å; L67-L86 HydrophobicContact CB-CD1 3.9Å; L67-L86 HydrophobicContact CB-CG 4.27Å; L67-L86 HydrophobicContact CD1-CD1 4.3Å; L67-L86 HydrophobicContact CD1-CD2 3.92Å; L67-L86 HydrophobicContact CD1-CG 3.73Å; V82-L86 HydrophobicContact CG1-CD1 3.93Å; V82-L86 WeakPolarHBondContact O-CB 3.44Å; V82-L86 PolarHBondContact O-N 2.87Å; K83-L86 CarbonylContact O-C 3.59Å; K83-L86 PolarHBondContact O-N 2.89Å; T84-L86 VanDerWaalsContact C-N 3.27Å; T84-L86 PolarHBondContact O-N 2.63Å; L86-A88 HydrophobicContact CB-CB 3.98Å; L86-A88 PolarHBondContact O-N 2.89Å; L86-L96 HydrophobicContact CD1-CD1 4.13Å; L86-L100 HydrophobicContact CD1-CD1 4.4Å
87	S	96.1	Very high	95.5	Very high	76 Å²	76	54.8 Å²	54.8	53%	0.531	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	37.4	-172.1	-56.6	0	0	0	0	113.2	N35 K83 T84 V85	N35-S87 PolarHBondContact ND2-O 2.85Å; K83-S87 PolarHBondContact O-N 2.88Å; T84-S87 PolarHBondContact O-N 2.84Å; V85-S87 VanDerWaalsContact C-N 3.31Å
88	A	95.1	Very high	95.5	Very high	3 Å²	3	55 Å²	55	3%	0.025	29%	0.291	C	S	.	.			trans	-116.2	19.8	-172.2	0	0	0	0	0	112.6	L32 K83 L86 K90 L91 L96	L32-A88 HydrophobicContact CD2-CB 4.34Å; K83-A88 PolarHBondContact O-N 3.41Å; L86-A88 HydrophobicContact CB-CB 3.98Å; L86-A88 PolarHBondContact O-N 2.89Å; A88-K90 PolarHBondContact O-N 2.92Å; A88-K90 VanDerWaalsContact O-N 3.09Å; A88-L91 HydrophobicContact CB-CD1 4.12Å; A88-L91 WeakPolarHBondContact O-CB 3.37Å; A88-L91 PolarHBondContact O-N 2.78Å; A88-L96 HydrophobicContact CB-CD1 4.26Å
89	D	92.8	Very high	95.5	Very high	90 Å²	90	55.1 Å²	55.1	48%	0.481	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.4	-174.5	-51.6	-94.1	0	0	0	113.2	T84 L91	T84-D89 VanDerWaalsContact CA-OD1 3.27Å; T84-D89 WeakPolarHBondContact CA-OD1 3.47Å; T84-D89 WeakPolarHBondContact CB-OD1 3.44Å; T84-D89 PolarHBondContact N-OD1 3.38Å; T84-D89 PolarHBondContact OG1-OD1 2.69Å; D89-L91 VanDerWaalsContact C-N 3.35Å
90	K	91	Very high	95.5	Very high	211 Å²	211	54.1 Å²	54.1	92%	0.917	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-12.8	180	-61.6	-179	-178.7	176.8	0	113.8	A88	A88-K90 PolarHBondContact O-N 2.92Å; A88-K90 VanDerWaalsContact O-N 3.09Å
91	L	92.9	Very high	95.5	Very high	23 Å²	23	52.2 Å²	52.2	12%	0.12	27%	0.271	C	S	.	.	S	Bend	trans	-84.9	137.6	-179.7	-67.4	176.8	0	0	0	110.7	L32 K83 A88 D89	L32-L91 HydrophobicContact CD1-CD1 4.15Å; L32-L91 HydrophobicContact CD2-CD1 3.82Å; L32-L91 HydrophobicContact CG-CD1 3.86Å; K83-L91 WeakPolarHBondContact CE-O 3.24Å; K83-L91 PolarHBondContact NZ-O 2.97Å; A88-L91 HydrophobicContact CB-CD1 4.12Å; A88-L91 WeakPolarHBondContact O-CB 3.37Å; A88-L91 PolarHBondContact O-N 2.78Å; D89-L91 VanDerWaalsContact C-N 3.35Å
92	K	94.5	Very high	95.3	Very high	143 Å²	143	52.7 Å²	52.7	62%	0.622	27%	0.273	S	S	*	.			trans	-67.2	152.4	165.9	-62.3	-177.3	179.2	-179.7	0	109.8	E94 H95 L96	K92-E94 VanDerWaalsContact C-N 3.27Å; K92-E94 PolarHBondContact O-N 3.31Å; K92-H95 PolarHBondContact O-N 2.82Å; K92-L96 PolarHBondContact O-N 2.78Å
93	D	93.3	Very high	95	Very high	89 Å²	89	52.9 Å²	52.9	48%	0.476	27%	0.274	S	S	.	.	H	α-helix	trans	-57	-42.2	-178.8	-64.8	-17.7	0	0	0	111.9	K83 H95 L96 H97	K83-D93 WeakPolarHBondContact CE-OD1 3.44Å; K83-D93 IonicContact NZ-OD1 2.91Å; K83-D93 PolarHBondContact NZ-OD1 3.38Å; D93-H95 VanDerWaalsContact C-N 3.29Å; D93-H95 PolarHBondContact O-N 3.43Å; D93-L96 WeakPolarHBondContact O-CB 3.46Å; D93-L96 PolarHBondContact O-N 3.07Å; D93-L96 VanDerWaalsContact O-N 3.15Å; D93-H97 PolarHBondContact O-CD2 2.88Å; D93-H97 PolarHBondContact O-N 3.1Å
94	E	94.4	Very high	94.9	Very high	147 Å²	147	51.6 Å²	51.6	69%	0.687	27%	0.268	S	S	*	.	H	α-helix	trans	-56.3	-42.7	176.6	-64	175.1	178.8	0	0	112.3	K92 A98	K92-E94 VanDerWaalsContact C-N 3.27Å; K92-E94 PolarHBondContact O-N 3.31Å; E94-A98 WeakPolarHBondContact O-CB 3.36Å; E94-A98 PolarHBondContact O-N 3.01Å
95	H	96	Very high	94.6	Very high	63 Å²	63	51 Å²	51	29%	0.292	27%	0.268	S	S	.	.	H	α-helix	trans	-75.1	-32.8	179.1	-59.9	-35.1	0	0	0	112.3	H28 K92 D93 G99	H28-H95 HydrophobicContact CB-CB 4.31Å; H28-H95 AromaticContact CD2-CG 3.68Å; H28-H95 AromaticContact CD2-ND1 3.71Å; H28-H95 AromaticContact CE1-CD2 3.97Å; H28-H95 AromaticContact NE2-CD2 3.76Å; H28-H95 AromaticContact NE2-CE1 3.89Å; H28-H95 AromaticContact NE2-CG 3.63Å; H28-H95 AromaticContact NE2-ND1 3.71Å; H28-H95 AromaticContact NE2-NE2 3.95Å; K92-H95 PolarHBondContact O-N 2.82Å; D93-H95 VanDerWaalsContact C-N 3.29Å; D93-H95 PolarHBondContact O-N 3.43Å; H95-G99 PolarHBondContact O-N 2.85Å
96	L	96.3	Very high	94	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-53.6	172.1	176.7	66.4	0	0	0	110.7	L32 A71 K83 L86 A88 K92 D93 L100	L32-L96 HydrophobicContact CD1-CD1 4.49Å; L32-L96 HydrophobicContact CD2-CD1 3.66Å; A71-L96 HydrophobicContact CB-CD2 4.18Å; K83-L96 HydrophobicContact CG-CD2 4.21Å; L86-L96 HydrophobicContact CD1-CD1 4.13Å; A88-L96 HydrophobicContact CB-CD1 4.26Å; K92-L96 PolarHBondContact O-N 2.78Å; D93-L96 WeakPolarHBondContact O-CB 3.46Å; D93-L96 PolarHBondContact O-N 3.07Å; D93-L96 VanDerWaalsContact O-N 3.15Å; L96-L100 HydrophobicContact CD1-CD1 3.85Å; L96-L100 HydrophobicContact CD1-CG 4.32Å; L96-L100 HydrophobicContact CG-CD1 4.24Å; L96-L100 WeakPolarHBondContact O-CB 3.33Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3.01Å
97	H	97.4	Very high	93.5	Very high	20 Å²	20	51.5 Å²	51.5	9%	0.093	27%	0.269	C	S	.	.	H	α-helix	trans	-68.5	-43.2	-177.6	-61.3	-53.3	0	0	0	112.1	G68 D93 S101 Y143	G68-H97 PolarHBondContact O-CE1 3.27Å; D93-H97 PolarHBondContact O-CD2 2.88Å; D93-H97 PolarHBondContact O-N 3.1Å; H97-S101 WeakPolarHBondContact O-CB 3.39Å; H97-S101 PolarHBondContact O-N 3.08Å; H97-Y143 AromaticContact ND1-CE2 3.91Å; H97-Y143 AromaticContact ND1-CZ 3.74Å; H97-Y143 PolarHBondContact ND1-OH 2.92Å
98	A	96.5	Very high	92.8	Very high	48 Å²	48	50.1 Å²	50.1	40%	0.397	26%	0.26	S	S	.	.	H	α-helix	trans	-63.8	-45.7	177.2	0	0	0	0	0	112.2	E94 S101 E102	E94-A98 WeakPolarHBondContact O-CB 3.36Å; E94-A98 PolarHBondContact O-N 3.01Å; A98-S101 WeakPolarHBondContact O-CB 3.3Å; A98-S101 PolarHBondContact O-N 2.9Å; A98-E102 WeakPolarHBondContact O-CB 3.46Å; A98-E102 PolarHBondContact O-N 3.06Å
99	G	95.9	Very high	92.2	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-68.7	-41.6	-178.5	0	0	0	0	0	113.1	H95 S101 E102 L103	H95-G99 PolarHBondContact O-N 2.85Å; G99-S101 VanDerWaalsContact C-N 3.31Å; G99-S101 PolarHBondContact O-N 3.46Å; G99-E102 PolarHBondContact O-N 3.27Å; G99-L103 WeakPolarHBondContact O-CG 3.44Å; G99-L103 PolarHBondContact O-N 3.26Å
100	L	96.2	Very high	91.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.8	-35.6	173.8	-70.6	175.9	0	0	0	112.1	L32 A64 L86 L96 L103 L104 Y143	L32-L100 HydrophobicContact CB-CD2 4.29Å; L32-L100 HydrophobicContact CD1-CG 4.2Å; L32-L100 HydrophobicContact CD2-CD2 4.29Å; L32-L100 HydrophobicContact CD2-CG 4.41Å; A64-L100 HydrophobicContact CB-CD2 3.68Å; A64-L100 WeakPolarHBondContact O-CD1 3.05Å; L86-L100 HydrophobicContact CD1-CD1 4.4Å; L96-L100 HydrophobicContact CD1-CD1 3.85Å; L96-L100 HydrophobicContact CD1-CG 4.32Å; L96-L100 HydrophobicContact CG-CD1 4.24Å; L96-L100 WeakPolarHBondContact O-CB 3.33Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3.01Å; L100-L103 HydrophobicContact CD2-CD1 4.47Å; L100-L103 PolarHBondContact O-N 2.95Å; L100-L104 WeakPolarHBondContact O-CB 3.3Å; L100-L104 PolarHBondContact O-N 3.42Å; L100-Y143 HydrophobicContact CB-CE1 3.72Å; L100-Y143 HydrophobicContact CD1-CE1 4.16Å
101	S	96.1	Very high	90.6	Very high	20 Å²	20	51.7 Å²	51.7	14%	0.14	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-41.3	175.4	-178.5	0	0	0	0	112.2	H97 A98 G99 L104 S105 H142	H97-S101 WeakPolarHBondContact O-CB 3.39Å; H97-S101 PolarHBondContact O-N 3.08Å; A98-S101 WeakPolarHBondContact O-CB 3.3Å; A98-S101 PolarHBondContact O-N 2.9Å; G99-S101 VanDerWaalsContact C-N 3.31Å; G99-S101 PolarHBondContact O-N 3.46Å; S101-L104 PolarHBondContact O-N 2.83Å; S101-S105 WeakPolarHBondContact O-CB 3.28Å; S101-S105 PolarHBondContact O-N 2.73Å; S101-S105 PolarHBondContact O-OG 3.2Å; S101-H142 VanDerWaalsContact CA-O 3.26Å; S101-H142 WeakPolarHBondContact CA-O 3.29Å; S101-H142 WeakPolarHBondContact CB-O 3.4Å; S101-H142 WeakPolarHBondContact OG-CA 3.43Å; S101-H142 PolarHBondContact OG-O 3.42Å; S101-H142 VanDerWaalsContact OG-O 3.06Å
102	E	94.1	Very high	89.7	Confident	42 Å²	42	54 Å²	54	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-48.3	173.9	-173.8	179.7	177.8	0	0	111.2	L25 S26 A29 A98 G99 S105 E106	L25-E102 VanDerWaalsContact CA-OE1 3.27Å; L25-E102 WeakPolarHBondContact CA-OE1 3.42Å; L25-E102 HydrophobicContact CD2-CG 3.96Å; S26-E102 WeakPolarHBondContact CB-OE2 3.5Å; S26-E102 PolarHBondContact N-OE1 2.92Å; S26-E102 PolarHBondContact N-OE2 3.35Å; S26-E102 PolarHBondContact OG-OE2 3.02Å; A29-E102 HydrophobicContact CB-CB 4.23Å; A29-E102 HydrophobicContact CB-CG 4.22Å; A29-E102 VanDerWaalsContact CB-OE2 3.27Å; A29-E102 WeakPolarHBondContact CB-OE2 3.09Å; A98-E102 WeakPolarHBondContact O-CB 3.46Å; A98-E102 PolarHBondContact O-N 3.06Å; G99-E102 PolarHBondContact O-N 3.27Å; E102-S105 PolarHBondContact O-N 2.99Å; E102-E106 WeakPolarHBondContact O-CB 3.31Å; E102-E106 PolarHBondContact O-N 3.33Å
103	L	92.3	Very high	88.6	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-47.4	176.8	-69.3	174.9	0	0	0	112.2	L25 A29 L32 A33 V61 G99 L100 S105 E106 V107	L25-L103 HydrophobicContact CD1-CD2 3.75Å; L25-L103 HydrophobicContact CD2-CD2 4.21Å; A29-L103 HydrophobicContact CB-CD2 4.26Å; A29-L103 HydrophobicContact CB-CG 4.2Å; L32-L103 HydrophobicContact CB-CD1 3.78Å; A33-L103 HydrophobicContact CB-CD1 4.2Å; A33-L103 HydrophobicContact CB-CD2 3.9Å; V61-L103 HydrophobicContact CG1-CB 3.84Å; V61-L103 HydrophobicContact CG2-CB 4.29Å; G99-L103 WeakPolarHBondContact O-CG 3.44Å; G99-L103 PolarHBondContact O-N 3.26Å; L100-L103 HydrophobicContact CD2-CD1 4.47Å; L100-L103 PolarHBondContact O-N 2.95Å; L103-S105 VanDerWaalsContact C-N 3.26Å; L103-S105 PolarHBondContact O-N 3.45Å; L103-E106 PolarHBondContact O-N 3.19Å; L103-V107 WeakPolarHBondContact O-CG1 3.49Å; L103-V107 WeakPolarHBondContact O-CG2 3.4Å; L103-V107 PolarHBondContact O-N 3.11Å
104	L	91.8	Very high	88	Confident	7 Å²	7	46.2 Å²	46.2	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-38.4	-179.6	-173.3	65.4	0	0	0	111.4	V61 V62 L100 S101 V107 S108 I119 Y143	V61-L104 HydrophobicContact CG1-CB 4.21Å; V61-L104 HydrophobicContact CG1-CD1 4.24Å; V62-L104 HydrophobicContact CG2-CD1 4.27Å; L100-L104 WeakPolarHBondContact O-CB 3.3Å; L100-L104 PolarHBondContact O-N 3.42Å; S101-L104 PolarHBondContact O-N 2.83Å; L104-V107 HydrophobicContact CD1-CG2 4.25Å; L104-V107 VanDerWaalsContact O-CG2 3.32Å; L104-V107 WeakPolarHBondContact O-CG2 3.34Å; L104-S108 VanDerWaalsContact O-CB 3.28Å; L104-S108 WeakPolarHBondContact O-CB 3.47Å; L104-S108 PolarHBondContact O-N 2.95Å; L104-S108 VanDerWaalsContact O-N 3.16Å; L104-S108 PolarHBondContact O-OG 2.92Å; L104-I119 HydrophobicContact CD1-CD1 3.93Å; L104-Y143 WeakPolarHBondContact CD2-O 3.17Å
105	S	90	Very high	87.2	Confident	70 Å²	70	40 Å²	40	49%	0.49	22%	0.218	S	C	.	.	H	α-helix	trans	-64.9	-43.9	175.6	-58.2	0	0	0	0	111.5	S101 E102 L103 S108 D109	S101-S105 WeakPolarHBondContact O-CB 3.28Å; S101-S105 PolarHBondContact O-N 2.73Å; S101-S105 PolarHBondContact O-OG 3.2Å; E102-S105 PolarHBondContact O-N 2.99Å; L103-S105 VanDerWaalsContact C-N 3.26Å; L103-S105 PolarHBondContact O-N 3.45Å; S105-S108 PolarHBondContact O-N 3.24Å; S105-D109 PolarHBondContact O-N 2.88Å
106	E	86.1	Confident	86.7	Confident	21 Å²	21	39.6 Å²	39.6	10%	0.098	22%	0.22	C	C	.	.	H	α-helix	trans	-66.8	-38.3	-179.4	-167.9	66	-162.1	0	0	112.8	K23 L25 E102 L103 S108 R113	K23-E106 IonicContact NZ-OE2 3.21Å; L25-E106 HydrophobicContact CD2-CG 4.47Å; E102-E106 WeakPolarHBondContact O-CB 3.31Å; E102-E106 PolarHBondContact O-N 3.33Å; L103-E106 PolarHBondContact O-N 3.19Å; E106-S108 VanDerWaalsContact C-N 3.3Å; E106-R113 PolarHBondContact O-NE 3.3Å; E106-R113 PolarHBondContact O-NH2 2.68Å
107	V	83.8	Confident	86.2	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.024	22%	0.221	C	C	.	.	H	α-helix	trans	-74.8	-22.5	176.4	-57.1	0	0	0	0	112.7	V61 L103 L104 W117 I119 L390	V61-V107 HydrophobicContact CB-CG1 4.35Å; V61-V107 HydrophobicContact CB-CG2 4.32Å; V61-V107 HydrophobicContact CG1-CG1 4.44Å; V61-V107 HydrophobicContact CG1-CG2 3.96Å; V61-V107 HydrophobicContact CG2-CG1 4Å; L103-V107 WeakPolarHBondContact O-CG1 3.49Å; L103-V107 WeakPolarHBondContact O-CG2 3.4Å; L103-V107 PolarHBondContact O-N 3.11Å; L104-V107 HydrophobicContact CD1-CG2 4.25Å; L104-V107 VanDerWaalsContact O-CG2 3.32Å; L104-V107 WeakPolarHBondContact O-CG2 3.34Å; V107-W117 VanDerWaalsContact O-CD1 3.27Å; V107-W117 PolarHBondContact O-NE1 3.03Å; V107-I119 HydrophobicContact CG2-CD1 3.74Å; V107-L390 HydrophobicContact CB-CD2 4.31Å; V107-L390 HydrophobicContact CG1-CD2 3.49Å; V107-L390 VanDerWaalsContact CG1-CD2 3.49Å
108	S	82.5	Confident	86	Confident	48 Å²	48	41 Å²	41	34%	0.336	23%	0.226	S	C	.	.	H	α-helix	trans	-87.4	-7.8	-179.3	-57	0	0	0	0	113.9	L104 S105 E106 Q110 I119	L104-S108 VanDerWaalsContact O-CB 3.28Å; L104-S108 WeakPolarHBondContact O-CB 3.47Å; L104-S108 PolarHBondContact O-N 2.95Å; L104-S108 VanDerWaalsContact O-N 3.16Å; L104-S108 PolarHBondContact O-OG 2.92Å; S105-S108 PolarHBondContact O-N 3.24Å; E106-S108 VanDerWaalsContact C-N 3.3Å; S108-Q110 PolarHBondContact O-N 2.97Å; S108-I119 WeakPolarHBondContact OG-CD1 3.44Å
109	D	82	Confident	85.8	Confident	57 Å²	57	39.5 Å²	39.5	31%	0.305	21%	0.211	S	C	.	.			trans	-78.1	90.4	-180	-171.8	-9.3	0	0	0	112.2	S105 K111 T112 R113	S105-D109 PolarHBondContact O-N 2.88Å; D109-K111 VanDerWaalsContact C-N 3.28Å; D109-K111 PolarHBondContact O-N 3.31Å; D109-K111 PolarHBondContact OD1-N 2.78Å; D109-T112 VanDerWaalsContact CG-OG1 3.22Å; D109-T112 PolarHBondContact OD1-N 3.45Å; D109-T112 VanDerWaalsContact OD1-N 3.1Å; D109-T112 VanDerWaalsContact OD2-CB 3.3Å; D109-T112 WeakPolarHBondContact OD2-CB 3.45Å; D109-T112 PolarHBondContact OD2-OG1 3.39Å; D109-R113 WeakPolarHBondContact O-CG 3.17Å; D109-R113 PolarHBondContact O-N 3.28Å
110	Q	75.1	Confident	85.9	Confident	84 Å²	84	41.6 Å²	41.6	39%	0.393	22%	0.222	S	C	.	.	H	α-helix	trans	-60.4	-34.7	177.3	-64.5	179.8	-3	0	0	113.2	S108 R113 N114 W117	S108-Q110 PolarHBondContact O-N 2.97Å; Q110-R113 PolarHBondContact O-N 3.34Å; Q110-N114 PolarHBondContact O-N 3.28Å; Q110-N114 VanDerWaalsContact O-N 3.07Å; Q110-W117 HydrophobicContact CG-CB 4.35Å; Q110-W117 VanDerWaalsContact CG-O 3.3Å; Q110-W117 WeakPolarHBondContact CG-O 3.22Å; Q110-W117 PolarHBondContact NE2-O 2.78Å
111	K	75.8	Confident	85.9	Confident	195 Å²	195	41.9 Å²	41.9	85%	0.848	22%	0.223	S	C	*	.	H	α-helix	trans	-70.4	-47.2	-174.5	-69.3	-176.9	-179.6	179	0	110.3	D109 R113 N114	D109-K111 VanDerWaalsContact C-N 3.28Å; D109-K111 PolarHBondContact O-N 3.31Å; D109-K111 PolarHBondContact OD1-N 2.78Å; K111-R113 VanDerWaalsContact C-N 3.25Å; K111-R113 PolarHBondContact O-N 3.24Å; K111-N114 PolarHBondContact O-N 2.8Å
112	T	73	Confident	86	Confident	72 Å²	72	43.3 Å²	43.3	44%	0.442	23%	0.226	S	C	.	.	H	α-helix	trans	-63.4	-35.7	178.3	-63.2	0	0	0	0	111.2	D109	D109-T112 VanDerWaalsContact CG-OG1 3.22Å; D109-T112 PolarHBondContact OD1-N 3.45Å; D109-T112 VanDerWaalsContact OD1-N 3.1Å; D109-T112 VanDerWaalsContact OD2-CB 3.3Å; D109-T112 WeakPolarHBondContact OD2-CB 3.45Å; D109-T112 PolarHBondContact OD2-OG1 3.39Å
113	R	72	Confident	86.2	Confident	12 Å²	12	41.5 Å²	41.5	5%	0.045	22%	0.217	C	C	.	.	H	α-helix	trans	-84.4	-15.2	-175.7	-66.6	-177.8	175.6	-69.3	-10.1	115	E106 D109 Q110 K111 S115 D383	E106-R113 PolarHBondContact O-NE 3.3Å; E106-R113 PolarHBondContact O-NH2 2.68Å; D109-R113 WeakPolarHBondContact O-CG 3.17Å; D109-R113 PolarHBondContact O-N 3.28Å; Q110-R113 PolarHBondContact O-N 3.34Å; K111-R113 VanDerWaalsContact C-N 3.25Å; K111-R113 PolarHBondContact O-N 3.24Å; R113-S115 PolarHBondContact O-N 3.44Å; R113-D383 IonicContact CZ-OD2 2.89Å; R113-D383 IonicContact NH1-OD2 3.82Å; R113-D383 PolarHBondContact NH1-OD2 3.04Å; R113-D383 IonicContact NH2-OD2 2.71Å; R113-D383 PolarHBondContact NH2-OD2 3.06Å
114	N	80.3	Confident	86.4	Confident	56 Å²	56	41.4 Å²	41.4	30%	0.299	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	46.9	-172.8	-170.2	39.9	0	0	0	111.2	Q110 K111 H198 N353	Q110-N114 PolarHBondContact O-N 3.28Å; Q110-N114 VanDerWaalsContact O-N 3.07Å; K111-N114 PolarHBondContact O-N 2.8Å; N114-H198 VanDerWaalsContact O-CB 3.22Å; N114-H198 WeakPolarHBondContact O-CB 3.41Å; N114-N353 PolarHBondContact ND2-OD1 3.35Å
115	S	78.7	Confident	86.6	Confident	16 Å²	16	41.1 Å²	41.1	11%	0.112	22%	0.215	C	C	.	.	S	Bend	trans	-152	152.8	-179.6	-73.2	0	0	0	0	109.4	R113 W117 H198	R113-S115 PolarHBondContact O-N 3.44Å; S115-W117 PolarHBondContact O-N 2.96Å; S115-H198 PolarHBondContact OG-N 3.37Å
116	T	83.9	Confident	86.7	Confident	56 Å²	56	38.5 Å²	38.5	34%	0.344	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	118.1	178.3	-59.1	0	0	0	0	109.5	F194 F195 K196	T116-F194 HydrophobicContact CG2-CD1 3.88Å; T116-F194 HydrophobicContact CG2-CE1 3.6Å; T116-F195 WeakPolarHBondContact O-CA 3.35Å; T116-F195 WeakPolarHBondContact O-CD2 3.42Å; T116-K196 PolarHBondContact N-O 2.79Å; T116-K196 PolarHBondContact O-N 2.77Å
117	W	87.2	Confident	87	Confident	6 Å²	6	40.8 Å²	40.8	2%	0.023	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	107.7	-177.5	-173.3	-75.6	0	0	0	111	V107 Q110 S115 I119 F194 F195 L390 Y391	V107-W117 VanDerWaalsContact O-CD1 3.27Å; V107-W117 PolarHBondContact O-NE1 3.03Å; Q110-W117 HydrophobicContact CG-CB 4.35Å; Q110-W117 VanDerWaalsContact CG-O 3.3Å; Q110-W117 WeakPolarHBondContact CG-O 3.22Å; Q110-W117 PolarHBondContact NE2-O 2.78Å; S115-W117 PolarHBondContact O-N 2.96Å; W117-I119 HydrophobicContact CZ2-CD1 4.32Å; W117-F194 WeakPolarHBondContact CA-O 3.36Å; W117-F195 HydrophobicContact CD2-CD2 4.16Å; W117-F195 HydrophobicContact CE3-CB 4.36Å; W117-F195 AromaticContact CE3-CD2 3.21Å; W117-F195 HydrophobicContact CE3-CD2 3.21Å; W117-F195 AromaticContact CE3-CE2 3.58Å; W117-F195 HydrophobicContact CE3-CE2 3.58Å; W117-F195 AromaticContact CE3-CG 3.87Å; W117-F195 HydrophobicContact CE3-CG 3.87Å; W117-F195 HydrophobicContact CE3-CZ 4.48Å; W117-F195 HydrophobicContact CZ3-CD1 4.49Å; W117-F195 AromaticContact CZ3-CD2 3.72Å; W117-F195 HydrophobicContact CZ3-CD2 3.72Å; W117-F195 AromaticContact CZ3-CE2 3.93Å; W117-F195 HydrophobicContact CZ3-CE2 3.93Å; W117-F195 HydrophobicContact CZ3-CG 4.02Å; W117-F195 HydrophobicContact CZ3-CZ 4.43Å; W117-L390 HydrophobicContact CH2-CB 3.85Å; W117-L390 HydrophobicContact CZ3-CB 4.06Å; W117-Y391 HydrophobicContact CE3-CD2 4.49Å; W117-Y391 AromaticContact CE3-CE2 3.97Å; W117-Y391 HydrophobicContact CE3-CE2 3.97Å; W117-Y391 AromaticContact CH2-CD2 3.2Å; W117-Y391 HydrophobicContact CH2-CD2 3.2Å; W117-Y391 AromaticContact CH2-CE2 2.91Å; W117-Y391 HydrophobicContact CH2-CE2 2.91Å; W117-Y391 HydrophobicContact CH2-CG 4.24Å; W117-Y391 AromaticContact CH2-CZ 3.77Å; W117-Y391 HydrophobicContact CZ2-CD2 4.27Å; W117-Y391 AromaticContact CZ2-CE2 3.63Å; W117-Y391 HydrophobicContact CZ2-CE2 3.63Å; W117-Y391 AromaticContact CZ3-CD2 3.34Å; W117-Y391 HydrophobicContact CZ3-CD2 3.34Å; W117-Y391 AromaticContact CZ3-CE2 3.13Å; W117-Y391 HydrophobicContact CZ3-CE2 3.13Å
118	K	91.8	Very high	87.3	Confident	43 Å²	43	44.6 Å²	44.6	19%	0.187	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.6	175.2	-59.1	-170	177.3	-149.3	0	109.6	D171 M193 F194	K118-D171 IonicContact NZ-OD1 3.89Å; K118-D171 PolarHBondContact NZ-OD1 3.3Å; K118-D171 IonicContact NZ-OD2 2.64Å; K118-D171 PolarHBondContact NZ-OD2 3.06Å; K118-M193 CarbonylContact O-C 3.39Å; K118-M193 WeakPolarHBondContact O-CA 3.32Å; K118-F194 HydrophobicContact CB-CB 4.23Å; K118-F194 HydrophobicContact CD-CD1 4.37Å; K118-F194 HydrophobicContact CG-CD1 4.49Å; K118-F194 PolarHBondContact N-O 3.02Å; K118-F194 PolarHBondContact O-N 2.84Å
119	I	94.3	Very high	87.8	Confident	16 Å²	16	42.6 Å²	42.6	8%	0.082	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.2	168.7	-50.3	173.7	0	0	0	107.3	V62 L104 V107 S108 W117 N121 M193	V62-I119 HydrophobicContact CG1-CG2 4.48Å; V62-I119 HydrophobicContact CG2-CD1 3.79Å; V62-I119 HydrophobicContact CG2-CG1 4.33Å; V62-I119 HydrophobicContact CG2-CG2 3.78Å; L104-I119 HydrophobicContact CD1-CD1 3.93Å; V107-I119 HydrophobicContact CG2-CD1 3.74Å; S108-I119 WeakPolarHBondContact OG-CD1 3.44Å; W117-I119 HydrophobicContact CZ2-CD1 4.32Å; I119-N121 WeakPolarHBondContact CG2-OD1 3.33Å; I119-M193 HydrophobicContact CB-CG 4.47Å; I119-M193 HydrophobicContact CG1-CG 4.38Å; I119-M193 HydrophobicContact CG2-CG 4.16Å
120	N	96.4	Very high	88.4	Confident	46 Å²	46	43.9 Å²	43.9	25%	0.246	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.8	174.6	-59.3	-90.1	0	0	0	108.6	W165 S169 N191 A192	N120-W165 HydrophobicContact CB-CH2 4.29Å; N120-W165 HydrophobicContact CB-CZ2 3.86Å; N120-W165 WeakPolarHBondContact O-CH2 3.3Å; N120-S169 PolarHBondContact ND2-O 2.94Å; N120-N191 WeakPolarHBondContact O-CA 3.42Å; N120-A192 PolarHBondContact N-O 2.98Å; N120-A192 PolarHBondContact O-N 3.49Å
121	N	97.6	Very high	89.5	Confident	6 Å²	6	41.3 Å²	41.3	3%	0.032	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.6	-172.3	-59.2	-32.3	0	0	0	109.2	I119 Y143 Y145 D146 N191	I119-N121 WeakPolarHBondContact CG2-OD1 3.33Å; N121-Y143 PolarHBondContact ND2-O 3.02Å; N121-Y145 HydrophobicContact CB-CD1 4.01Å; N121-Y145 HydrophobicContact CB-CD2 3.49Å; N121-Y145 VanDerWaalsContact CB-CD2 3.49Å; N121-Y145 HydrophobicContact CB-CE1 3.93Å; N121-Y145 HydrophobicContact CB-CE2 3.44Å; N121-Y145 VanDerWaalsContact CB-CE2 3.44Å; N121-Y145 HydrophobicContact CB-CG 3.81Å; N121-D146 PolarHBondContact O-N 3.03Å; N121-N191 PolarHBondContact OD1-OD1 2.86Å; N121-N191 VanDerWaalsContact OD1-OD1 3.08Å
122	R	98.3	Very high	90.5	Very high	50 Å²	50	33.8 Å²	33.8	19%	0.189	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	136.9	177	-176.8	168.3	-75.8	-173.1	-1	111.7	Y124 D146 W165 V190	R122-Y124 HydrophobicContact CB-CE2 4.15Å; R122-Y124 VanDerWaalsContact CD-OH 3.23Å; R122-Y124 WeakPolarHBondContact CD-OH 3.43Å; R122-Y124 HydrophobicContact CG-CD2 4.03Å; R122-Y124 HydrophobicContact CG-CE2 3.69Å; R122-D146 CarbonylContact C-O 3.53Å; R122-D146 VanDerWaalsContact CA-O 3.3Å; R122-D146 WeakPolarHBondContact CA-O 2.79Å; R122-D146 HydrophobicContact CB-CB 4.34Å; R122-D146 HydrophobicContact CG-CB 4.17Å; R122-D146 IonicContact CZ-OD2 2.66Å; R122-D146 IonicContact NE-OD2 3.96Å; R122-D146 IonicContact NH2-OD2 3.94Å; R122-D146 PolarHBondContact NH2-OD2 3.08Å; R122-D146 VanDerWaalsContact NH2-OD2 3.09Å; R122-W165 HydrophobicContact CB-CD2 4.42Å; R122-W165 HydrophobicContact CB-CH2 3.64Å; R122-W165 HydrophobicContact CB-CZ2 3.45Å; R122-W165 VanDerWaalsContact CB-CZ2 3.45Å; R122-W165 HydrophobicContact CB-CZ3 4.24Å; R122-W165 VanDerWaalsContact NH1-CG 3.32Å; R122-W165 VanDerWaalsContact NH2-CD1 3.31Å; R122-V190 PolarHBondContact N-O 3.5Å; R122-V190 PolarHBondContact O-N 2.87Å
123	L	98.1	Very high	91.7	Very high	3 Å²	3	37 Å²	37	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.6	168.3	-174.1	71.7	0	0	0	108.5	L69 F131 F135 Y145 D146 H147 S148 A187 I189 I329	L69-L123 HydrophobicContact CD2-CB 4.48Å; L69-L123 HydrophobicContact CD2-CD1 4.14Å; L123-F131 HydrophobicContact CD2-CD1 4.42Å; L123-F131 HydrophobicContact CD2-CE1 3.84Å; L123-F131 HydrophobicContact CG-CE1 4.42Å; L123-F135 HydrophobicContact CD2-CE1 3.56Å; L123-F135 HydrophobicContact CD2-CZ 3.82Å; L123-Y145 HydrophobicContact CB-CD1 4.12Å; L123-D146 PolarHBondContact N-O 3.37Å; L123-H147 WeakPolarHBondContact O-CA 3.43Å; L123-S148 PolarHBondContact O-N 3.24Å; L123-A187 HydrophobicContact CD1-CB 4.26Å; L123-I189 HydrophobicContact CD1-CG1 3.79Å; L123-I329 HydrophobicContact CD2-CD1 4.48Å; L123-I329 HydrophobicContact CD2-CG2 4.16Å
124	Y	96.8	Very high	92.9	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.1	169.3	-71.3	-86.6	0	0	0	109.8	R122 S148 I150 I162 W165 A187 M188 V190	R122-Y124 HydrophobicContact CB-CE2 4.15Å; R122-Y124 VanDerWaalsContact CD-OH 3.23Å; R122-Y124 WeakPolarHBondContact CD-OH 3.43Å; R122-Y124 HydrophobicContact CG-CD2 4.03Å; R122-Y124 HydrophobicContact CG-CE2 3.69Å; Y124-S148 WeakPolarHBondContact CA-O 3.1Å; Y124-I150 HydrophobicContact CD1-CB 4.1Å; Y124-I150 HydrophobicContact CD1-CD1 4.04Å; Y124-I150 HydrophobicContact CD1-CG2 4.27Å; Y124-I150 HydrophobicContact CE1-CD1 4.18Å; Y124-I162 HydrophobicContact CD2-CG1 4.46Å; Y124-I162 HydrophobicContact CE1-CG1 4.48Å; Y124-I162 HydrophobicContact CE2-CG1 4.12Å; Y124-W165 HydrophobicContact CE2-CE3 4.49Å; Y124-W165 WeakPolarHBondContact OH-CB 3.11Å; Y124-A187 CarbonylContact O-C 3.47Å; Y124-A187 VanDerWaalsContact O-CA 3.31Å; Y124-A187 WeakPolarHBondContact O-CA 3.45Å; Y124-M188 HydrophobicContact CD2-CE 4.4Å; Y124-M188 HydrophobicContact CG-CE 4.11Å; Y124-M188 PolarHBondContact N-O 3.06Å; Y124-M188 PolarHBondContact O-N 3.44Å; Y124-V190 HydrophobicContact CD2-CB 4.31Å; Y124-V190 HydrophobicContact CD2-CG2 3.59Å; Y124-V190 HydrophobicContact CE2-CB 4.23Å; Y124-V190 HydrophobicContact CE2-CG2 3.87Å
125	G	94.9	Very high	93.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	161.4	171.3	0	0	0	0	0	111.6	S148 K149 I150	G125-S148 PolarHBondContact N-O 2.54Å; G125-K149 WeakPolarHBondContact O-CA 3.32Å; G125-I150 PolarHBondContact O-N 3.28Å
126	P	93.2	Very high	94.7	Very high	15 Å²	15	40.9 Å²	40.9	10%	0.097	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	151.2	177.2	-22.5	33	0	0	0	111.8	S128 V129 F152 D185	P126-S128 PolarHBondContact O-N 3.39Å; P126-V129 WeakPolarHBondContact O-CB 3.36Å; P126-V129 WeakPolarHBondContact O-CG1 3.27Å; P126-V129 PolarHBondContact O-N 3.19Å; P126-F152 HydrophobicContact CB-CD2 4.25Å; P126-F152 HydrophobicContact CB-CE2 4.2Å; P126-F152 HydrophobicContact CG-CD2 4.4Å; P126-F152 HydrophobicContact CG-CE2 4Å; P126-D185 WeakPolarHBondContact CG-O 3.44Å
127	S	92.1	Very high	95.4	Very high	69 Å²	69	45.6 Å²	45.6	48%	0.483	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-23	-179.3	58.1	0	0	0	0	114.8	V129 I150	S127-V129 VanDerWaalsContact C-N 3.35Å; S127-I150 PolarHBondContact N-O 2.92Å
128	S	90.3	Very high	95.9	Very high	85 Å²	85	46.7 Å²	46.7	59%	0.594	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-8	176.7	56	0	0	0	0	114.5	P126 K332	P126-S128 PolarHBondContact O-N 3.39Å; S128-K332 PolarHBondContact O-NZ 3.36Å
129	V	91.9	Very high	96.2	Very high	6 Å²	6	44.7 Å²	44.7	4%	0.036	25%	0.253	C	S	.	.			trans	-83.2	141.7	178.1	91	0	0	0	0	110.3	P126 S127 F131 K149 L335	P126-V129 WeakPolarHBondContact O-CB 3.36Å; P126-V129 WeakPolarHBondContact O-CG1 3.27Å; P126-V129 PolarHBondContact O-N 3.19Å; S127-V129 VanDerWaalsContact C-N 3.35Å; V129-F131 HydrophobicContact CG1-CD1 4.36Å; V129-F131 HydrophobicContact CG1-CE1 3.93Å; V129-F131 HydrophobicContact CG1-CE2 4.14Å; V129-F131 HydrophobicContact CG1-CZ 3.82Å; V129-K149 HydrophobicContact CG1-CG 4.38Å; V129-K149 WeakPolarHBondContact O-CD 3.33Å; V129-L335 HydrophobicContact CG2-CD1 4.47Å; V129-L335 HydrophobicContact CG2-CD2 4.29Å
130	S	95	Very high	96.3	Very high	83 Å²	83	47.9 Å²	47.9	58%	0.58	27%	0.266	S	S	*	.			trans	-115	118.7	165.2	-67.2	0	0	0	0	107	S330	S130-S330 WeakPolarHBondContact O-CA 3.47Å; S130-S330 VanDerWaalsContact O-CB 3.23Å; S130-S330 WeakPolarHBondContact O-CB 3.3Å
131	F	97.1	Very high	96.4	Very high	31 Å²	31	53.1 Å²	53.1	14%	0.136	29%	0.287	C	S	.	.			trans	-71.4	138.2	177.9	-61.9	-67.1	0	0	0	110	L123 V129 V136 H147 K149 I329	L123-F131 HydrophobicContact CD2-CD1 4.42Å; L123-F131 HydrophobicContact CD2-CE1 3.84Å; L123-F131 HydrophobicContact CG-CE1 4.42Å; V129-F131 HydrophobicContact CG1-CD1 4.36Å; V129-F131 HydrophobicContact CG1-CE1 3.93Å; V129-F131 HydrophobicContact CG1-CE2 4.14Å; V129-F131 HydrophobicContact CG1-CZ 3.82Å; F131-V136 HydrophobicContact CB-CG2 3.57Å; F131-V136 HydrophobicContact CG-CG2 4.45Å; F131-H147 HydrophobicContact CD2-CB 4.02Å; F131-H147 HydrophobicContact CE2-CB 4.06Å; F131-K149 HydrophobicContact CD2-CG 4.41Å; F131-K149 HydrophobicContact CE2-CG 3.86Å; F131-I329 CarbonylContact C-O 3.58Å; F131-I329 VanDerWaalsContact CA-O 3.28Å; F131-I329 WeakPolarHBondContact CA-O 3.26Å; F131-I329 HydrophobicContact CD1-CG2 3.66Å; F131-I329 HydrophobicContact CE1-CG2 3.92Å
132	A	97.9	Very high	96.3	Very high	36 Å²	36	54.3 Å²	54.3	30%	0.298	29%	0.292	S	S	.	.			trans	-69.8	132.9	174.6	0	0	0	0	0	110.2	D134 F135 V136 N328 I329	A132-D134 VanDerWaalsContact C-N 3.28Å; A132-D134 PolarHBondContact O-N 2.66Å; A132-F135 HydrophobicContact CB-CB 4.25Å; A132-F135 WeakPolarHBondContact O-CB 3.41Å; A132-F135 PolarHBondContact O-N 2.94Å; A132-F135 VanDerWaalsContact O-N 3.08Å; A132-V136 PolarHBondContact O-N 3.31Å; A132-N328 WeakPolarHBondContact CB-O 3.45Å; A132-I329 PolarHBondContact N-O 3.48Å
133	D	97.8	Very high	96.3	Very high	141 Å²	141	52 Å²	52	75%	0.754	28%	0.283	S	S	*	.	H	α-helix	trans	-59	-39.2	-174.8	-69	-23.1	0	0	0	112.9	V136 K137	D133-V136 PolarHBondContact O-N 3.44Å; D133-K137 WeakPolarHBondContact O-CB 3.5Å; D133-K137 PolarHBondContact O-N 3.33Å
134	D	97.7	Very high	96.1	Very high	114 Å²	114	55.9 Å²	55.9	61%	0.61	30%	0.304	S	S	*	.	H	α-helix	trans	-64.9	-40.6	177.7	-172.9	61	0	0	0	111.9	A132 K137 T138	A132-D134 VanDerWaalsContact C-N 3.28Å; A132-D134 PolarHBondContact O-N 2.66Å; D134-K137 PolarHBondContact O-N 3.28Å; D134-T138 VanDerWaalsContact O-CB 3.24Å; D134-T138 WeakPolarHBondContact O-CB 3.24Å; D134-T138 PolarHBondContact O-N 2.88Å; D134-T138 PolarHBondContact O-OG1 2.83Å
135	F	98.2	Very high	96.2	Very high	5 Å²	5	55.8 Å²	55.8	2%	0.022	30%	0.304	C	S	.	.	H	α-helix	trans	-63.7	-45.9	174.4	173.6	-95.7	0	0	0	111.3	L69 L72 L123 A132 K137 T138 S139 H147 N328 I329	L69-F135 HydrophobicContact CD1-CE2 3.93Å; L69-F135 HydrophobicContact CD1-CZ 3.58Å; L69-F135 HydrophobicContact CG-CE2 4.41Å; L69-F135 HydrophobicContact CG-CZ 4.02Å; L72-F135 HydrophobicContact CB-CE2 4.49Å; L72-F135 HydrophobicContact CD2-CD2 4.14Å; L72-F135 HydrophobicContact CD2-CE2 4.2Å; L72-F135 HydrophobicContact CG-CD2 4.15Å; L72-F135 HydrophobicContact CG-CE2 4.32Å; L123-F135 HydrophobicContact CD2-CE1 3.56Å; L123-F135 HydrophobicContact CD2-CZ 3.82Å; A132-F135 HydrophobicContact CB-CB 4.25Å; A132-F135 WeakPolarHBondContact O-CB 3.41Å; A132-F135 PolarHBondContact O-N 2.94Å; A132-F135 VanDerWaalsContact O-N 3.08Å; F135-K137 VanDerWaalsContact C-N 3.34Å; F135-K137 PolarHBondContact O-N 2.91Å; F135-T138 PolarHBondContact O-N 3.37Å; F135-S139 WeakPolarHBondContact O-CB 3.41Å; F135-S139 PolarHBondContact O-N 3.39Å; F135-S139 PolarHBondContact O-OG 2.96Å; F135-H147 AromaticContact CD1-NE2 3.99Å; F135-H147 AromaticContact CE1-CD2 3.92Å; F135-H147 AromaticContact CE1-NE2 3.56Å; F135-N328 WeakPolarHBondContact CB-O 3.48Å; F135-I329 HydrophobicContact CD1-CG2 4.22Å; F135-I329 HydrophobicContact CD2-CG1 4.18Å; F135-I329 HydrophobicContact CE1-CB 4.47Å; F135-I329 HydrophobicContact CE1-CG1 4.24Å; F135-I329 HydrophobicContact CE1-CG2 4Å; F135-I329 HydrophobicContact CE2-CD1 4.39Å; F135-I329 HydrophobicContact CE2-CG1 3.82Å; F135-I329 HydrophobicContact CZ-CD1 4.12Å; F135-I329 HydrophobicContact CZ-CG1 3.85Å; F135-I329 HydrophobicContact CZ-CG2 4.41Å
136	V	98.4	Very high	96.3	Very high	46 Å²	46	58.5 Å²	58.5	28%	0.279	32%	0.318	S	S	.	.	H	α-helix	trans	-58.8	-46.9	177.8	170.9	0	0	0	0	110.9	F131 A132 D133 S139 K140	F131-V136 HydrophobicContact CB-CG2 3.57Å; F131-V136 HydrophobicContact CG-CG2 4.45Å; A132-V136 PolarHBondContact O-N 3.31Å; D133-V136 PolarHBondContact O-N 3.44Å; V136-S139 PolarHBondContact O-OG 3.12Å; V136-K140 VanDerWaalsContact O-CB 3.25Å; V136-K140 WeakPolarHBondContact O-CB 3.4Å; V136-K140 PolarHBondContact O-N 3.04Å; V136-K140 VanDerWaalsContact O-N 3.11Å
137	K	98.3	Very high	96.5	Very high	155 Å²	155	59.9 Å²	59.9	67%	0.674	32%	0.324	S	S	*	.	H	α-helix	trans	-63.7	-47.7	179.6	-177.2	-177.7	176.9	-174.9	0	111.7	D133 D134 F135 K141	D133-K137 WeakPolarHBondContact O-CB 3.5Å; D133-K137 PolarHBondContact O-N 3.33Å; D134-K137 PolarHBondContact O-N 3.28Å; F135-K137 VanDerWaalsContact C-N 3.34Å; F135-K137 PolarHBondContact O-N 2.91Å; K137-K141 WeakPolarHBondContact O-CB 3.26Å; K137-K141 PolarHBondContact O-N 2.91Å
138	T	97.8	Very high	96.7	Very high	29 Å²	29	58.3 Å²	58.3	18%	0.178	31%	0.313	C	S	.	.	H	α-helix	trans	-75.5	-38.3	-172.3	-59	0	0	0	0	112	L72 D134 F135 K141 H142	L72-T138 HydrophobicContact CD1-CG2 3.6Å; L72-T138 HydrophobicContact CD2-CG2 3.91Å; L72-T138 HydrophobicContact CG-CG2 4.38Å; D134-T138 VanDerWaalsContact O-CB 3.24Å; D134-T138 WeakPolarHBondContact O-CB 3.24Å; D134-T138 PolarHBondContact O-N 2.88Å; D134-T138 PolarHBondContact O-OG1 2.83Å; F135-T138 PolarHBondContact O-N 3.37Å; T138-K141 PolarHBondContact O-N 2.88Å; T138-H142 PolarHBondContact O-CD2 2.98Å; T138-H142 PolarHBondContact O-N 3.01Å
139	S	98.1	Very high	96.9	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-67.3	-38.4	173.7	59.4	0	0	0	0	112.4	F135 V136 Y143 N144 H147	F135-S139 WeakPolarHBondContact O-CB 3.41Å; F135-S139 PolarHBondContact O-N 3.39Å; F135-S139 PolarHBondContact O-OG 2.96Å; V136-S139 PolarHBondContact O-OG 3.12Å; S139-Y143 CarbonylContact O-C 3.56Å; S139-Y143 WeakPolarHBondContact O-CA 3.35Å; S139-Y143 WeakPolarHBondContact O-CB 3.28Å; S139-Y143 PolarHBondContact O-N 2.79Å; S139-N144 PolarHBondContact O-N 3.47Å; S139-H147 PolarHBondContact OG-CE1 3.36Å; S139-H147 PolarHBondContact OG-NE2 3.1Å
140	K	97.6	Very high	96.9	Very high	83 Å²	83	60.1 Å²	60.1	36%	0.361	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-44.3	172.9	-172.4	68	177.8	174.7	0	111.1	V136 N144 Y145 D146	V136-K140 VanDerWaalsContact O-CB 3.25Å; V136-K140 WeakPolarHBondContact O-CB 3.4Å; V136-K140 PolarHBondContact O-N 3.04Å; V136-K140 VanDerWaalsContact O-N 3.11Å; K140-N144 VanDerWaalsContact CE-OD1 3.26Å; K140-N144 WeakPolarHBondContact CE-OD1 3.31Å; K140-N144 PolarHBondContact NZ-OD1 3.42Å; K140-N144 VanDerWaalsContact O-CA 3.22Å; K140-N144 WeakPolarHBondContact O-CA 3.25Å; K140-N144 PolarHBondContact O-N 2.99Å; K140-Y145 VanDerWaalsContact CD-O 3.23Å; K140-Y145 WeakPolarHBondContact CD-O 3.38Å; K140-D146 IonicContact NZ-OD1 3.23Å; K140-D146 PolarHBondContact NZ-OD1 2.83Å
141	K	96.9	Very high	96.6	Very high	156 Å²	156	60 Å²	60	68%	0.678	30%	0.302	S	S	*	.	H	α-helix	trans	-60.2	-49.8	178.3	179.6	-172.8	174.5	-169.1	0	112.3	K137 T138	K137-K141 WeakPolarHBondContact O-CB 3.26Å; K137-K141 PolarHBondContact O-N 2.91Å; T138-K141 PolarHBondContact O-N 2.88Å
142	H	96.5	Very high	96	Very high	32 Å²	32	59.1 Å²	59.1	15%	0.148	30%	0.299	C	S	.	.	H	α-helix	trans	-85.8	-37.2	-172.7	-72.7	-59.2	0	0	0	113.7	S101 T138	S101-H142 VanDerWaalsContact CA-O 3.26Å; S101-H142 WeakPolarHBondContact CA-O 3.29Å; S101-H142 WeakPolarHBondContact CB-O 3.4Å; S101-H142 WeakPolarHBondContact OG-CA 3.43Å; S101-H142 PolarHBondContact OG-O 3.42Å; S101-H142 VanDerWaalsContact OG-O 3.06Å; T138-H142 PolarHBondContact O-CD2 2.98Å; T138-H142 PolarHBondContact O-N 3.01Å
143	Y	96.8	Very high	95.4	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-123.2	1.5	-166.8	-55.4	-61	0	0	0	114	G68 L69 H97 L100 L104 N121 S139 Y145	G68-Y143 VanDerWaalsContact CA-OH 3.3Å; G68-Y143 WeakPolarHBondContact CA-OH 3.23Å; L69-Y143 HydrophobicContact CD1-CD2 4.39Å; H97-Y143 AromaticContact ND1-CE2 3.91Å; H97-Y143 AromaticContact ND1-CZ 3.74Å; H97-Y143 PolarHBondContact ND1-OH 2.92Å; L100-Y143 HydrophobicContact CB-CE1 3.72Å; L100-Y143 HydrophobicContact CD1-CE1 4.16Å; L104-Y143 WeakPolarHBondContact CD2-O 3.17Å; N121-Y143 PolarHBondContact ND2-O 3.02Å; S139-Y143 CarbonylContact O-C 3.56Å; S139-Y143 WeakPolarHBondContact O-CA 3.35Å; S139-Y143 WeakPolarHBondContact O-CB 3.28Å; S139-Y143 PolarHBondContact O-N 2.79Å; Y143-Y145 VanDerWaalsContact CB-CD2 3.47Å; Y143-Y145 WeakPolarHBondContact O-CD2 3.41Å; Y143-Y145 PolarHBondContact O-N 2.73Å
144	N	96	Very high	94.9	Very high	85 Å²	85	65.9 Å²	65.9	46%	0.455	31%	0.312	S	S	.	.			trans	52.7	34.3	-176.2	-166.4	27.4	0	0	0	113.7	S139 K140	S139-N144 PolarHBondContact O-N 3.47Å; K140-N144 VanDerWaalsContact CE-OD1 3.26Å; K140-N144 WeakPolarHBondContact CE-OD1 3.31Å; K140-N144 PolarHBondContact NZ-OD1 3.42Å; K140-N144 VanDerWaalsContact O-CA 3.22Å; K140-N144 WeakPolarHBondContact O-CA 3.25Å; K140-N144 PolarHBondContact O-N 2.99Å
145	Y	97.1	Very high	94.5	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	126.4	178	-93	-105.4	0	0	0	111.8	S66 L69 N121 L123 K140 Y143 H147 I189 N191	S66-Y145 PolarHBondContact OG-OH 3.41Å; L69-Y145 HydrophobicContact CD1-CD2 4.45Å; L69-Y145 HydrophobicContact CD1-CG 4.28Å; L69-Y145 HydrophobicContact CD2-CD1 3.54Å; L69-Y145 HydrophobicContact CD2-CD2 4.32Å; L69-Y145 HydrophobicContact CD2-CE1 3.42Å; L69-Y145 VanDerWaalsContact CD2-CE1 3.42Å; L69-Y145 HydrophobicContact CD2-CE2 4.21Å; L69-Y145 HydrophobicContact CD2-CG 4Å; N121-Y145 HydrophobicContact CB-CD1 4.01Å; N121-Y145 HydrophobicContact CB-CD2 3.49Å; N121-Y145 VanDerWaalsContact CB-CD2 3.49Å; N121-Y145 HydrophobicContact CB-CE1 3.93Å; N121-Y145 HydrophobicContact CB-CE2 3.44Å; N121-Y145 VanDerWaalsContact CB-CE2 3.44Å; N121-Y145 HydrophobicContact CB-CG 3.81Å; L123-Y145 HydrophobicContact CB-CD1 4.12Å; K140-Y145 VanDerWaalsContact CD-O 3.23Å; K140-Y145 WeakPolarHBondContact CD-O 3.38Å; Y143-Y145 VanDerWaalsContact CB-CD2 3.47Å; Y143-Y145 WeakPolarHBondContact O-CD2 3.41Å; Y143-Y145 PolarHBondContact O-N 2.73Å; Y145-H147 PolarHBondContact O-CE1 3.01Å; Y145-H147 VanDerWaalsContact O-CE1 3.24Å; Y145-H147 PolarHBondContact O-ND1 2.99Å; Y145-I189 HydrophobicContact CE1-CG2 3.98Å; Y145-I189 WeakPolarHBondContact OH-CG2 3.3Å; Y145-N191 PolarHBondContact OH-OD1 2.68Å
146	D	97.2	Very high	94.1	Very high	57 Å²	57	74.5 Å²	74.5	31%	0.305	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	159.4	159.6	-73.5	-12.8	0	0	0	110.6	N121 R122 L123 K140	N121-D146 PolarHBondContact O-N 3.03Å; R122-D146 CarbonylContact C-O 3.53Å; R122-D146 VanDerWaalsContact CA-O 3.3Å; R122-D146 WeakPolarHBondContact CA-O 2.79Å; R122-D146 HydrophobicContact CB-CB 4.34Å; R122-D146 HydrophobicContact CG-CB 4.17Å; R122-D146 IonicContact CZ-OD2 2.66Å; R122-D146 IonicContact NE-OD2 3.96Å; R122-D146 IonicContact NH2-OD2 3.94Å; R122-D146 PolarHBondContact NH2-OD2 3.08Å; R122-D146 VanDerWaalsContact NH2-OD2 3.09Å; L123-D146 PolarHBondContact N-O 3.37Å; K140-D146 IonicContact NZ-OD1 3.23Å; K140-D146 PolarHBondContact NZ-OD1 2.83Å
147	H	97.4	Very high	93.8	Very high	44 Å²	44	75 Å²	75	20%	0.204	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.3	-180	-56.2	78.6	0	0	0	109.2	L123 F131 F135 S139 Y145	L123-H147 WeakPolarHBondContact O-CA 3.43Å; F131-H147 HydrophobicContact CD2-CB 4.02Å; F131-H147 HydrophobicContact CE2-CB 4.06Å; F135-H147 AromaticContact CD1-NE2 3.99Å; F135-H147 AromaticContact CE1-CD2 3.92Å; F135-H147 AromaticContact CE1-NE2 3.56Å; S139-H147 PolarHBondContact OG-CE1 3.36Å; S139-H147 PolarHBondContact OG-NE2 3.1Å; Y145-H147 PolarHBondContact O-CE1 3.01Å; Y145-H147 VanDerWaalsContact O-CE1 3.24Å; Y145-H147 PolarHBondContact O-ND1 2.99Å
148	S	96.4	Very high	93.6	Very high	36 Å²	36	67.6 Å²	67.6	25%	0.252	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	146.2	176.4	-172.3	0	0	0	0	111	L123 Y124 G125	L123-S148 PolarHBondContact O-N 3.24Å; Y124-S148 WeakPolarHBondContact CA-O 3.1Å; G125-S148 PolarHBondContact N-O 2.54Å
149	K	94.8	Very high	93.4	Very high	120 Å²	120	66.9 Å²	66.9	52%	0.522	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.4	173.2	-65.4	-174.9	-65.6	-178.6	0	107.7	G125 V129 F131	G125-K149 WeakPolarHBondContact O-CA 3.32Å; V129-K149 HydrophobicContact CG1-CG 4.38Å; V129-K149 WeakPolarHBondContact O-CD 3.33Å; F131-K149 HydrophobicContact CD2-CG 4.41Å; F131-K149 HydrophobicContact CE2-CG 3.86Å
150	I	91.6	Very high	93.3	Very high	9 Å²	9	70.5 Å²	70.5	5%	0.046	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136.7	-176.5	-159.3	167.8	0	0	0	110	Y124 G125 S127 F152 A158 I162	Y124-I150 HydrophobicContact CD1-CB 4.1Å; Y124-I150 HydrophobicContact CD1-CD1 4.04Å; Y124-I150 HydrophobicContact CD1-CG2 4.27Å; Y124-I150 HydrophobicContact CE1-CD1 4.18Å; G125-I150 PolarHBondContact O-N 3.28Å; S127-I150 PolarHBondContact N-O 2.92Å; I150-F152 HydrophobicContact CG2-CD1 3.82Å; I150-F152 HydrophobicContact CG2-CD2 3.83Å; I150-F152 HydrophobicContact CG2-CE1 3.35Å; I150-F152 HydrophobicContact CG2-CE2 3.4Å; I150-F152 HydrophobicContact CG2-CG 4.05Å; I150-F152 HydrophobicContact CG2-CZ 3.15Å; I150-F152 PolarHBondContact O-N 3.29Å; I150-A158 VanDerWaalsContact CD1-CA 3.5Å; I150-A158 HydrophobicContact CD1-CB 3.73Å; I150-A158 WeakPolarHBondContact CD1-O 3.38Å; I150-A158 HydrophobicContact CG1-CB 3.88Å; I150-I162 HydrophobicContact CD1-CD1 4.33Å; I150-I162 HydrophobicContact CD1-CG1 4.06Å
151	N	88.1	Confident	93.2	Very high	80 Å²	80	68.7 Å²	68.7	43%	0.428	33%	0.325	S	S	.	.			trans	-87.6	98.2	176.2	177.8	15.6	0	0	0	109.1	R153 D154	N151-R153 PolarHBondContact O-N 3.38Å; N151-R153 VanDerWaalsContact OD1-CB 3.32Å; N151-R153 WeakPolarHBondContact OD1-CB 3.47Å; N151-R153 PolarHBondContact OD1-N 3.24Å; N151-R153 VanDerWaalsContact OD1-N 3.11Å; N151-D154 PolarHBondContact O-N 3.31Å
152	F	84.7	Confident	93.2	Very high	14 Å²	14	61.3 Å²	61.3	6%	0.061	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-4.9	-178.7	-59.3	-81.1	0	0	0	115.1	P126 I150 D154 A158 V181 P184 M188	P126-F152 HydrophobicContact CB-CD2 4.25Å; P126-F152 HydrophobicContact CB-CE2 4.2Å; P126-F152 HydrophobicContact CG-CD2 4.4Å; P126-F152 HydrophobicContact CG-CE2 4Å; I150-F152 HydrophobicContact CG2-CD1 3.82Å; I150-F152 HydrophobicContact CG2-CD2 3.83Å; I150-F152 HydrophobicContact CG2-CE1 3.35Å; I150-F152 HydrophobicContact CG2-CE2 3.4Å; I150-F152 HydrophobicContact CG2-CG 4.05Å; I150-F152 HydrophobicContact CG2-CZ 3.15Å; I150-F152 PolarHBondContact O-N 3.29Å; F152-D154 PolarHBondContact O-N 3.38Å; F152-A158 HydrophobicContact CD1-CB 4.17Å; F152-V181 HydrophobicContact CD1-CG1 4.06Å; F152-V181 HydrophobicContact CE1-CG1 3.86Å; F152-P184 HydrophobicContact CB-CB 3.3Å; F152-P184 WeakPolarHBondContact CB-O 3.49Å; F152-P184 HydrophobicContact CD1-CB 4.17Å; F152-P184 WeakPolarHBondContact CD2-O 3.43Å; F152-P184 HydrophobicContact CG-CB 3.84Å; F152-P184 WeakPolarHBondContact CG-O 3.09Å; F152-M188 HydrophobicContact CE1-CE 3.35Å; F152-M188 HydrophobicContact CE1-SD 3.75Å; F152-M188 HydrophobicContact CZ-CE 3.54Å; F152-M188 HydrophobicContact CZ-CG 4.38Å; F152-M188 HydrophobicContact CZ-SD 4.03Å
153	R	85.5	Confident	93.3	Very high	238 Å²	238	60.5 Å²	60.5	90%	0.898	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-33.1	171.4	-65.4	-177.6	175.1	175.6	-1.2	111.3	N151	N151-R153 PolarHBondContact O-N 3.38Å; N151-R153 VanDerWaalsContact OD1-CB 3.32Å; N151-R153 WeakPolarHBondContact OD1-CB 3.47Å; N151-R153 PolarHBondContact OD1-N 3.24Å; N151-R153 VanDerWaalsContact OD1-N 3.11Å
154	D	88.1	Confident	93.3	Very high	81 Å²	81	66.9 Å²	66.9	43%	0.433	32%	0.319	S	S	.	.	S	Bend	trans	-96.8	87	168.4	-173.7	-15.8	0	0	0	109.2	N151 F152 R156 S157 A158	N151-D154 PolarHBondContact O-N 3.31Å; F152-D154 PolarHBondContact O-N 3.38Å; D154-R156 PolarHBondContact O-N 2.73Å; D154-R156 PolarHBondContact OD1-N 3.03Å; D154-S157 PolarHBondContact O-N 2.84Å; D154-S157 PolarHBondContact OD1-N 3.32Å; D154-S157 VanDerWaalsContact OD2-CB 3.3Å; D154-S157 WeakPolarHBondContact OD2-CB 3.3Å; D154-A158 WeakPolarHBondContact O-CB 3.39Å; D154-A158 PolarHBondContact O-N 3.05Å
155	K	88.4	Confident	93.4	Very high	101 Å²	101	63.8 Å²	63.8	44%	0.439	30%	0.301	S	S	.	.	H	α-helix	trans	-56.2	-39.1	-179.3	-72.1	-168.2	172.9	-162	0	112.7	A158 V159 D180	K155-A158 PolarHBondContact O-N 3.39Å; K155-V159 WeakPolarHBondContact O-CB 3.43Å; K155-V159 WeakPolarHBondContact O-CG2 3.34Å; K155-V159 PolarHBondContact O-N 3.39Å; K155-D180 IonicContact NZ-OD1 3.88Å
156	R	91.5	Very high	93.4	Very high	199 Å²	199	63.8 Å²	63.8	75%	0.751	30%	0.301	S	S	*	.	H	α-helix	trans	-68.1	-46.8	-177.7	-175.9	-177.9	-70.7	171	-2.1	110.2	D154 A158 V159 N160	D154-R156 PolarHBondContact O-N 2.73Å; D154-R156 PolarHBondContact OD1-N 3.03Å; R156-A158 VanDerWaalsContact C-N 3.28Å; R156-A158 PolarHBondContact O-N 3.38Å; R156-V159 PolarHBondContact O-N 2.91Å; R156-N160 WeakPolarHBondContact O-CB 3.28Å; R156-N160 PolarHBondContact O-N 3.43Å; R156-N160 PolarHBondContact O-OD1 3.27Å
157	S	92.2	Very high	93.4	Very high	55 Å²	55	62.2 Å²	62.2	39%	0.385	30%	0.296	S	S	.	.	H	α-helix	trans	-60.6	-39.5	174.7	-179.3	0	0	0	0	111.7	D154 N160 S161	D154-S157 PolarHBondContact O-N 2.84Å; D154-S157 PolarHBondContact OD1-N 3.32Å; D154-S157 VanDerWaalsContact OD2-CB 3.3Å; D154-S157 WeakPolarHBondContact OD2-CB 3.3Å; S157-N160 PolarHBondContact O-N 2.92Å; S157-S161 WeakPolarHBondContact O-CB 3.3Å; S157-S161 PolarHBondContact O-N 2.95Å; S157-S161 PolarHBondContact O-OG 3.3Å
158	A	92.2	Very high	93.4	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.008	32%	0.323	C	S	.	.	H	α-helix	trans	-63.8	-50	178.2	0	0	0	0	0	112.3	I150 F152 D154 K155 R156 N160 S161 I162	I150-A158 VanDerWaalsContact CD1-CA 3.5Å; I150-A158 HydrophobicContact CD1-CB 3.73Å; I150-A158 WeakPolarHBondContact CD1-O 3.38Å; I150-A158 HydrophobicContact CG1-CB 3.88Å; F152-A158 HydrophobicContact CD1-CB 4.17Å; D154-A158 WeakPolarHBondContact O-CB 3.39Å; D154-A158 PolarHBondContact O-N 3.05Å; K155-A158 PolarHBondContact O-N 3.39Å; R156-A158 VanDerWaalsContact C-N 3.28Å; R156-A158 PolarHBondContact O-N 3.38Å; A158-N160 PolarHBondContact O-N 3.25Å; A158-S161 PolarHBondContact O-N 3.17Å; A158-I162 WeakPolarHBondContact O-CG1 3.42Å; A158-I162 PolarHBondContact O-N 2.83Å; A158-I162 VanDerWaalsContact O-N 3.16Å
159	V	95.4	Very high	93.3	Very high	14 Å²	14	67.8 Å²	67.8	9%	0.085	32%	0.318	C	S	.	.	H	α-helix	trans	-58.6	-47.1	175.9	168.5	0	0	0	0	111	K155 R156 S161 I162 N163 T178 V181	K155-V159 WeakPolarHBondContact O-CB 3.43Å; K155-V159 WeakPolarHBondContact O-CG2 3.34Å; K155-V159 PolarHBondContact O-N 3.39Å; R156-V159 PolarHBondContact O-N 2.91Å; V159-S161 VanDerWaalsContact C-N 3.35Å; V159-S161 PolarHBondContact O-N 3.36Å; V159-I162 PolarHBondContact O-N 3.35Å; V159-N163 WeakPolarHBondContact CG1-ND2 3.12Å; V159-N163 WeakPolarHBondContact O-CB 3.44Å; V159-N163 PolarHBondContact O-N 3.25Å; V159-N163 PolarHBondContact O-ND2 2.61Å; V159-T178 WeakPolarHBondContact CG1-O 3.34Å; V159-V181 HydrophobicContact CG2-CG2 4.02Å
160	N	95.6	Very high	93.4	Very high	76 Å²	76	62 Å²	62	41%	0.406	29%	0.293	S	S	.	.	H	α-helix	trans	-60.3	-44.5	178.9	-72.7	-2	0	0	0	111.7	R156 S157 A158 I162 N163 E164	R156-N160 WeakPolarHBondContact O-CB 3.28Å; R156-N160 PolarHBondContact O-N 3.43Å; R156-N160 PolarHBondContact O-OD1 3.27Å; S157-N160 PolarHBondContact O-N 2.92Å; A158-N160 PolarHBondContact O-N 3.25Å; N160-I162 VanDerWaalsContact C-N 3.3Å; N160-I162 PolarHBondContact O-N 3.07Å; N160-N163 PolarHBondContact O-N 3.46Å; N160-E164 VanDerWaalsContact O-CB 3.28Å; N160-E164 WeakPolarHBondContact O-CB 3.26Å; N160-E164 VanDerWaalsContact O-CG 3.27Å; N160-E164 WeakPolarHBondContact O-CG 3.2Å; N160-E164 PolarHBondContact O-N 3.16Å
161	S	95.4	Very high	93.6	Very high	45 Å²	45	67.2 Å²	67.2	32%	0.315	32%	0.321	S	S	.	.	H	α-helix	trans	-61.6	-38.6	179.8	-59.1	0	0	0	0	112.4	S157 A158 V159 W165	S157-S161 WeakPolarHBondContact O-CB 3.3Å; S157-S161 PolarHBondContact O-N 2.95Å; S157-S161 PolarHBondContact O-OG 3.3Å; A158-S161 PolarHBondContact O-N 3.17Å; V159-S161 VanDerWaalsContact C-N 3.35Å; V159-S161 PolarHBondContact O-N 3.36Å; S161-W165 WeakPolarHBondContact O-CB 3.41Å; S161-W165 PolarHBondContact O-N 2.87Å; S161-W165 VanDerWaalsContact O-N 3.15Å
162	I	96.6	Very high	94	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-67.2	-48.1	177	-64.1	162.2	0	0	0	110.2	Y124 I150 A158 V159 N160 W165 A166 I177 V181 M188 V190	Y124-I162 HydrophobicContact CD2-CG1 4.46Å; Y124-I162 HydrophobicContact CE1-CG1 4.48Å; Y124-I162 HydrophobicContact CE2-CG1 4.12Å; I150-I162 HydrophobicContact CD1-CD1 4.33Å; I150-I162 HydrophobicContact CD1-CG1 4.06Å; A158-I162 WeakPolarHBondContact O-CG1 3.42Å; A158-I162 PolarHBondContact O-N 2.83Å; A158-I162 VanDerWaalsContact O-N 3.16Å; V159-I162 PolarHBondContact O-N 3.35Å; N160-I162 VanDerWaalsContact C-N 3.3Å; N160-I162 PolarHBondContact O-N 3.07Å; I162-W165 PolarHBondContact O-N 3.02Å; I162-A166 WeakPolarHBondContact O-CB 3.4Å; I162-A166 PolarHBondContact O-N 2.6Å; I162-I177 HydrophobicContact CG2-CB 4.2Å; I162-I177 HydrophobicContact CG2-CD1 4.26Å; I162-I177 HydrophobicContact CG2-CG2 4.33Å; I162-V181 HydrophobicContact CD1-CG2 3.79Å; I162-M188 HydrophobicContact CD1-CE 3.63Å; I162-M188 HydrophobicContact CG1-CE 4.46Å; I162-V190 HydrophobicContact CG2-CG1 4.24Å
163	N	97.9	Very high	94.5	Very high	16 Å²	16	68.5 Å²	68.5	9%	0.086	34%	0.335	C	S	.	.	H	α-helix	trans	-67.8	-42.7	-177.7	-69.6	-19.1	0	0	0	112	V159 N160 W165 A166 A167 I177 T178	V159-N163 WeakPolarHBondContact CG1-ND2 3.12Å; V159-N163 WeakPolarHBondContact O-CB 3.44Å; V159-N163 PolarHBondContact O-N 3.25Å; V159-N163 PolarHBondContact O-ND2 2.61Å; N160-N163 PolarHBondContact O-N 3.46Å; N163-W165 PolarHBondContact O-N 3.5Å; N163-A166 WeakPolarHBondContact O-CB 3.48Å; N163-A166 PolarHBondContact O-N 3.42Å; N163-A167 WeakPolarHBondContact O-CB 3.49Å; N163-A167 PolarHBondContact O-N 3.33Å; N163-I177 PolarHBondContact OD1-N 3.46Å; N163-T178 PolarHBondContact ND2-O 2.82Å; N163-T178 PolarHBondContact OD1-N 3.39Å; N163-T178 PolarHBondContact OD1-O 3.26Å
164	E	97.6	Very high	95.1	Very high	133 Å²	133	57.2 Å²	57.2	62%	0.621	29%	0.293	S	S	*	.	H	α-helix	trans	-62	-41.7	175.3	-75.8	174.9	-169.7	0	0	111.9	N160 K168	N160-E164 VanDerWaalsContact O-CB 3.28Å; N160-E164 WeakPolarHBondContact O-CB 3.26Å; N160-E164 VanDerWaalsContact O-CG 3.27Å; N160-E164 WeakPolarHBondContact O-CG 3.2Å; N160-E164 PolarHBondContact O-N 3.16Å; E164-K168 WeakPolarHBondContact O-CB 3.49Å; E164-K168 PolarHBondContact O-N 3.1Å
165	W	97.8	Very high	95.5	Very high	20 Å²	20	56.3 Å²	56.3	8%	0.076	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-44.3	174	168.7	68.1	0	0	0	111.5	N120 R122 Y124 S161 I162 N163 K168 S169 I177 V190 A192	N120-W165 HydrophobicContact CB-CH2 4.29Å; N120-W165 HydrophobicContact CB-CZ2 3.86Å; N120-W165 WeakPolarHBondContact O-CH2 3.3Å; R122-W165 HydrophobicContact CB-CD2 4.42Å; R122-W165 HydrophobicContact CB-CH2 3.64Å; R122-W165 HydrophobicContact CB-CZ2 3.45Å; R122-W165 VanDerWaalsContact CB-CZ2 3.45Å; R122-W165 HydrophobicContact CB-CZ3 4.24Å; R122-W165 VanDerWaalsContact NH1-CG 3.32Å; R122-W165 VanDerWaalsContact NH2-CD1 3.31Å; Y124-W165 HydrophobicContact CE2-CE3 4.49Å; Y124-W165 WeakPolarHBondContact OH-CB 3.11Å; S161-W165 WeakPolarHBondContact O-CB 3.41Å; S161-W165 PolarHBondContact O-N 2.87Å; S161-W165 VanDerWaalsContact O-N 3.15Å; I162-W165 PolarHBondContact O-N 3.02Å; N163-W165 PolarHBondContact O-N 3.5Å; W165-K168 PolarHBondContact O-N 2.94Å; W165-S169 PolarHBondContact NE1-OG 2.9Å; W165-S169 VanDerWaalsContact NE1-OG 3.16Å; W165-S169 WeakPolarHBondContact O-CB 3.24Å; W165-S169 PolarHBondContact O-N 2.99Å; W165-S169 PolarHBondContact O-OG 3.36Å; W165-I177 HydrophobicContact CZ3-CD1 4.32Å; W165-V190 HydrophobicContact CE3-CG1 4.3Å; W165-V190 HydrophobicContact CH2-CG1 4.42Å; W165-V190 WeakPolarHBondContact CH2-O 3.49Å; W165-V190 HydrophobicContact CZ3-CB 4.01Å; W165-V190 HydrophobicContact CZ3-CG1 3.56Å; W165-A192 HydrophobicContact CE3-CB 4.47Å; W165-A192 HydrophobicContact CH2-CB 3.87Å; W165-A192 HydrophobicContact CZ3-CB 3.7Å
166	A	97.5	Very high	95.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-47.5	179	0	0	0	0	0	111.9	I162 N163 K168 S169 T170 L174 I177 A192	I162-A166 WeakPolarHBondContact O-CB 3.4Å; I162-A166 PolarHBondContact O-N 2.6Å; N163-A166 WeakPolarHBondContact O-CB 3.48Å; N163-A166 PolarHBondContact O-N 3.42Å; A166-K168 PolarHBondContact O-N 3.47Å; A166-S169 PolarHBondContact O-N 3.04Å; A166-T170 WeakPolarHBondContact O-CB 3.44Å; A166-T170 WeakPolarHBondContact O-CG2 3.49Å; A166-T170 PolarHBondContact O-N 3.15Å; A166-T170 PolarHBondContact O-OG1 2.96Å; A166-L174 CarbonylContact C-O 3.55Å; A166-I177 HydrophobicContact CB-CD1 3.34Å; A166-I177 HydrophobicContact CB-CG1 3.53Å; A166-A192 HydrophobicContact CB-CB 4.13Å
167	A	97.8	Very high	96.1	Very high	25 Å²	25	46.6 Å²	46.6	21%	0.207	26%	0.256	C	S	.	.	H	α-helix	trans	-57.8	-51.1	177.1	0	0	0	0	0	110.3	N163 S169 T170 D171 G172 L174	N163-A167 WeakPolarHBondContact O-CB 3.49Å; N163-A167 PolarHBondContact O-N 3.33Å; A167-S169 VanDerWaalsContact C-N 3.32Å; A167-S169 PolarHBondContact O-N 2.95Å; A167-T170 CarbonylContact O-C 3.51Å; A167-T170 PolarHBondContact O-N 3.31Å; A167-T170 PolarHBondContact O-OG1 3.01Å; A167-D171 PolarHBondContact O-N 3.02Å; A167-D171 VanDerWaalsContact O-N 3.09Å; A167-G172 PolarHBondContact O-N 3.35Å; A167-L174 WeakPolarHBondContact CA-O 3.13Å; A167-L174 PolarHBondContact N-O 2.99Å
168	K	97.1	Very high	96.2	Very high	177 Å²	177	45 Å²	45	77%	0.77	24%	0.244	S	C	*	.	H	α-helix	trans	-60.6	-41.1	177.8	-175.8	178.1	179.7	178.7	0	112.5	E164 W165 A166 T170	E164-K168 WeakPolarHBondContact O-CB 3.49Å; E164-K168 PolarHBondContact O-N 3.1Å; W165-K168 PolarHBondContact O-N 2.94Å; A166-K168 PolarHBondContact O-N 3.47Å; K168-T170 PolarHBondContact O-N 3.33Å
169	S	94.5	Very high	96.3	Very high	19 Å²	19	52.7 Å²	52.7	13%	0.133	28%	0.277	C	S	.	.	H	α-helix	trans	-69.8	-19.3	-177.7	-61.9	0	0	0	0	113.3	N120 W165 A166 A167	N120-S169 PolarHBondContact ND2-O 2.94Å; W165-S169 PolarHBondContact NE1-OG 2.9Å; W165-S169 VanDerWaalsContact NE1-OG 3.16Å; W165-S169 WeakPolarHBondContact O-CB 3.24Å; W165-S169 PolarHBondContact O-N 2.99Å; W165-S169 PolarHBondContact O-OG 3.36Å; A166-S169 PolarHBondContact O-N 3.04Å; A167-S169 VanDerWaalsContact C-N 3.32Å; A167-S169 PolarHBondContact O-N 2.95Å
170	T	95.5	Very high	96	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	15.1	-176.7	60.5	0	0	0	0	113	A166 A167 K168 G172 K173 L174 A192 F194	A166-T170 WeakPolarHBondContact O-CB 3.44Å; A166-T170 WeakPolarHBondContact O-CG2 3.49Å; A166-T170 PolarHBondContact O-N 3.15Å; A166-T170 PolarHBondContact O-OG1 2.96Å; A167-T170 CarbonylContact O-C 3.51Å; A167-T170 PolarHBondContact O-N 3.31Å; A167-T170 PolarHBondContact O-OG1 3.01Å; K168-T170 PolarHBondContact O-N 3.33Å; T170-G172 PolarHBondContact O-N 3.3Å; T170-K173 VanDerWaalsContact O-CB 3.26Å; T170-K173 WeakPolarHBondContact O-CB 2.88Å; T170-K173 VanDerWaalsContact O-CG 3.3Å; T170-K173 WeakPolarHBondContact O-CG 3.28Å; T170-K173 PolarHBondContact O-N 2.93Å; T170-K173 VanDerWaalsContact O-N 3.07Å; T170-L174 HydrophobicContact CG2-CB 3.86Å; T170-L174 HydrophobicContact CG2-CD2 4.34Å; T170-L174 WeakPolarHBondContact OG1-CB 3.3Å; T170-L174 PolarHBondContact OG1-N 2.95Å; T170-A192 HydrophobicContact CG2-CB 4.36Å; T170-F194 HydrophobicContact CG2-CB 4.25Å
171	D	95.7	Very high	95.4	Very high	118 Å²	118	51.4 Å²	51.4	63%	0.631	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	39.4	-175.2	-54.2	-7	0	0	0	113.4	K118 A167 K173	K118-D171 IonicContact NZ-OD1 3.89Å; K118-D171 PolarHBondContact NZ-OD1 3.3Å; K118-D171 IonicContact NZ-OD2 2.64Å; K118-D171 PolarHBondContact NZ-OD2 3.06Å; A167-D171 PolarHBondContact O-N 3.02Å; A167-D171 VanDerWaalsContact O-N 3.09Å; D171-K173 VanDerWaalsContact C-N 3.27Å; D171-K173 PolarHBondContact O-N 2.87Å
172	G	96.3	Very high	94.6	Very high	46 Å²	46	54.3 Å²	54.3	47%	0.474	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	-1	179.6	0	0	0	0	0	114.8	A167 T170 L174	A167-G172 PolarHBondContact O-N 3.35Å; T170-G172 PolarHBondContact O-N 3.3Å; G172-L174 VanDerWaalsContact C-N 3.28Å; G172-L174 PolarHBondContact O-N 2.82Å
173	K	96.8	Very high	93.9	Very high	75 Å²	75	57.8 Å²	57.8	33%	0.326	30%	0.297	S	S	.	.	S	Bend	trans	-70.7	-23.1	-179.6	-63.9	-70.1	-178	168.7	0	113.7	T170 D171 F194 A345 E347	T170-K173 VanDerWaalsContact O-CB 3.26Å; T170-K173 WeakPolarHBondContact O-CB 2.88Å; T170-K173 VanDerWaalsContact O-CG 3.3Å; T170-K173 WeakPolarHBondContact O-CG 3.28Å; T170-K173 PolarHBondContact O-N 2.93Å; T170-K173 VanDerWaalsContact O-N 3.07Å; D171-K173 VanDerWaalsContact C-N 3.27Å; D171-K173 PolarHBondContact O-N 2.87Å; K173-F194 HydrophobicContact CB-CB 4.44Å; K173-F194 HydrophobicContact CB-CD1 4.42Å; K173-F194 HydrophobicContact CB-CD2 3.77Å; K173-F194 HydrophobicContact CB-CE2 4.08Å; K173-F194 HydrophobicContact CB-CG 3.96Å; K173-F194 HydrophobicContact CD-CE2 4.04Å; K173-F194 HydrophobicContact CD-CZ 4.03Å; K173-F194 HydrophobicContact CG-CD1 4.08Å; K173-F194 HydrophobicContact CG-CD2 3.98Å; K173-F194 HydrophobicContact CG-CE1 3.94Å; K173-F194 HydrophobicContact CG-CE2 3.85Å; K173-F194 HydrophobicContact CG-CG 4.09Å; K173-F194 HydrophobicContact CG-CZ 3.83Å; K173-A345 HydrophobicContact CB-CB 4.13Å; K173-A345 VanDerWaalsContact O-CB 3.3Å; K173-A345 WeakPolarHBondContact O-CB 3.31Å; K173-E347 WeakPolarHBondContact CE-OE2 3.44Å; K173-E347 IonicContact NZ-OE1 3.86Å; K173-E347 IonicContact NZ-OE2 2.96Å; K173-E347 PolarHBondContact NZ-OE2 3.28Å
174	L	96.9	Very high	93.1	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	31%	0.31	C	S	.	.	S	Bend	trans	-125.2	82	175.2	-171.8	66.8	0	0	0	109.3	A166 A167 T170 G172 I177 A192 E301 A343 A345	A166-L174 CarbonylContact C-O 3.55Å; A167-L174 WeakPolarHBondContact CA-O 3.13Å; A167-L174 PolarHBondContact N-O 2.99Å; T170-L174 HydrophobicContact CG2-CB 3.86Å; T170-L174 HydrophobicContact CG2-CD2 4.34Å; T170-L174 WeakPolarHBondContact OG1-CB 3.3Å; T170-L174 PolarHBondContact OG1-N 2.95Å; G172-L174 VanDerWaalsContact C-N 3.28Å; G172-L174 PolarHBondContact O-N 2.82Å; L174-I177 HydrophobicContact CD2-CG1 4.38Å; L174-A192 HydrophobicContact CD2-CB 4.1Å; L174-E301 HydrophobicContact CD1-CB 4.17Å; L174-E301 HydrophobicContact CD1-CG 4.17Å; L174-A343 HydrophobicContact CD1-CB 4.48Å; L174-A343 HydrophobicContact CD2-CB 3.74Å; L174-A343 WeakPolarHBondContact CD2-O 3.4Å; L174-A345 HydrophobicContact CB-CB 4.23Å; L174-A345 HydrophobicContact CD1-CB 4.39Å
175	P	96.3	Very high	92.6	Very high	62 Å²	62	56.2 Å²	56.2	40%	0.403	30%	0.296	S	S	.	.			trans	-76.2	-25.4	-172.5	29.6	-35.4	0	0	0	113.9
176	E	96.3	Very high	92.4	Very high	88 Å²	88	55.3 Å²	55.3	41%	0.411	29%	0.293	S	S	.	.			trans	-137.5	123.4	-175.3	-170.5	179.8	75.7	0	0	110.3	K179	E176-K179 VanDerWaalsContact CD-CE 3.5Å; E176-K179 WeakPolarHBondContact OE1-CE 3.36Å; E176-K179 IonicContact OE1-NZ 3.92Å; E176-K179 WeakPolarHBondContact OE2-CE 3.2Å; E176-K179 WeakPolarHBondContact OE2-CG 3.5Å
177	I	96.1	Very high	92.3	Very high	7 Å²	7	55.3 Å²	55.3	4%	0.036	29%	0.293	C	S	.	.	S	Bend	trans	-94.6	-42.5	171.2	-69	-170.9	0	0	0	110.2	I162 N163 W165 A166 L174 V190 A192 S303 F341 A343	I162-I177 HydrophobicContact CG2-CB 4.2Å; I162-I177 HydrophobicContact CG2-CD1 4.26Å; I162-I177 HydrophobicContact CG2-CG2 4.33Å; N163-I177 PolarHBondContact OD1-N 3.46Å; W165-I177 HydrophobicContact CZ3-CD1 4.32Å; A166-I177 HydrophobicContact CB-CD1 3.34Å; A166-I177 HydrophobicContact CB-CG1 3.53Å; L174-I177 HydrophobicContact CD2-CG1 4.38Å; I177-V190 HydrophobicContact CD1-CG1 3.35Å; I177-V190 HydrophobicContact CG2-CG1 4.3Å; I177-A192 HydrophobicContact CD1-CB 4.15Å; I177-S303 WeakPolarHBondContact O-CB 3.32Å; I177-S303 PolarHBondContact O-OG 2.94Å; I177-F341 HydrophobicContact CG2-CB 3.77Å; I177-F341 HydrophobicContact CG2-CD1 3.94Å; I177-F341 HydrophobicContact CG2-CG 3.85Å; I177-A343 HydrophobicContact CB-CB 4.41Å; I177-A343 HydrophobicContact CD1-CB 4.15Å; I177-A343 HydrophobicContact CG1-CB 3.84Å; I177-A343 HydrophobicContact CG2-CB 4.18Å
178	T	94.5	Very high	92.2	Very high	22 Å²	22	54.1 Å²	54.1	14%	0.135	28%	0.283	C	S	.	.			trans	-151	153.2	-178.5	-168.7	0	0	0	0	111.4	V159 N163 D180 V181 F341	V159-T178 WeakPolarHBondContact CG1-O 3.34Å; N163-T178 PolarHBondContact ND2-O 2.82Å; N163-T178 PolarHBondContact OD1-N 3.39Å; N163-T178 PolarHBondContact OD1-O 3.26Å; T178-D180 WeakPolarHBondContact CG2-O 3.49Å; T178-D180 PolarHBondContact OG1-N 3.26Å; T178-D180 PolarHBondContact OG1-O 2.86Å; T178-V181 HydrophobicContact CG2-CG2 4.18Å; T178-F341 HydrophobicContact CG2-CE1 4.39Å; T178-F341 HydrophobicContact CG2-CE2 4.48Å; T178-F341 HydrophobicContact CG2-CZ 4.05Å
179	K	93.8	Very high	92.3	Very high	162 Å²	162	45.9 Å²	45.9	70%	0.704	25%	0.247	S	C	*	.	S	Bend	trans	-96.6	-15.8	172.1	-65	-177.4	-178.5	-178.6	0	112.7	E176	E176-K179 VanDerWaalsContact CD-CE 3.5Å; E176-K179 WeakPolarHBondContact OE1-CE 3.36Å; E176-K179 IonicContact OE1-NZ 3.92Å; E176-K179 WeakPolarHBondContact OE2-CE 3.2Å; E176-K179 WeakPolarHBondContact OE2-CG 3.5Å
180	D	90	Very high	92.4	Very high	60 Å²	60	45 Å²	45	32%	0.321	24%	0.241	S	C	.	.			trans	-149.4	153.1	179.3	-166.3	14.2	0	0	0	110.8	K155 T178 Q182	K155-D180 IonicContact NZ-OD1 3.88Å; T178-D180 WeakPolarHBondContact CG2-O 3.49Å; T178-D180 PolarHBondContact OG1-N 3.26Å; T178-D180 PolarHBondContact OG1-O 2.86Å; D180-Q182 PolarHBondContact OD2-NE2 2.92Å
181	V	83.4	Confident	92.6	Very high	3 Å²	3	45 Å²	45	2%	0.018	24%	0.241	C	C	.	.			trans	-114.7	105.1	171.5	177	0	0	0	0	107.5	F152 V159 I162 T178 M188	F152-V181 HydrophobicContact CD1-CG1 4.06Å; F152-V181 HydrophobicContact CE1-CG1 3.86Å; V159-V181 HydrophobicContact CG2-CG2 4.02Å; I162-V181 HydrophobicContact CD1-CG2 3.79Å; T178-V181 HydrophobicContact CG2-CG2 4.18Å; V181-M188 HydrophobicContact CG1-CE 4.48Å; V181-M188 HydrophobicContact CG1-SD 3.44Å; V181-M188 WeakPolarHBondContact CG1-SD 3.48Å; V181-M188 HydrophobicContact CG2-SD 4.33Å
182	Q	78.4	Confident	92.7	Very high	107 Å²	107	39.3 Å²	39.3	50%	0.5	21%	0.211	S	C	.	.	S	Bend	trans	-72.4	149.4	167.8	-57.7	-54.9	-26.5	0	0	109.2	D180 N339	D180-Q182 PolarHBondContact OD2-NE2 2.92Å; Q182-N339 PolarHBondContact O-OD1 3.14Å
183	N	82.2	Confident	92.7	Very high	73 Å²	73	37.1 Å²	37.1	39%	0.39	19%	0.188	S	C	.	.			trans	58.7	62.6	174.1	-62.1	-23	0	0	0	114	D185 G186 Y336 S338	N183-D185 PolarHBondContact O-N 2.88Å; N183-G186 PolarHBondContact O-N 2.76Å; N183-Y336 WeakPolarHBondContact CB-OH 3.42Å; N183-S338 WeakPolarHBondContact O-CB 3.07Å
184	P	81.3	Confident	92.7	Very high	53 Å²	53	34.2 Å²	34.2	34%	0.344	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	13.6	-172.9	29.3	-36.7	0	0	0	115.6	F152	F152-P184 HydrophobicContact CB-CB 3.3Å; F152-P184 WeakPolarHBondContact CB-O 3.49Å; F152-P184 HydrophobicContact CD1-CB 4.17Å; F152-P184 WeakPolarHBondContact CD2-O 3.43Å; F152-P184 HydrophobicContact CG-CB 3.84Å; F152-P184 WeakPolarHBondContact CG-O 3.09Å
185	D	86.9	Confident	92.6	Very high	63 Å²	63	34.4 Å²	34.4	34%	0.337	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-1	-174.9	63.7	-22.8	0	0	0	113.3	P126 N183 K321 Y336	P126-D185 WeakPolarHBondContact CG-O 3.44Å; N183-D185 PolarHBondContact O-N 2.88Å; D185-K321 IonicContact OD2-NZ 3.05Å; D185-K321 PolarHBondContact OD2-NZ 3.1Å; D185-Y336 WeakPolarHBondContact OD1-CE1 3.3Å; D185-Y336 PolarHBondContact OD1-OH 3.01Å
186	G	92.5	Very high	92.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-102.1	176.6	174.9	0	0	0	0	0	114.3	N183 Y336	N183-G186 PolarHBondContact O-N 2.76Å; G186-Y336 CarbonylContact C-O 3.53Å; G186-Y336 WeakPolarHBondContact CA-O 3.41Å
187	A	95.5	Very high	92.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	139.6	168	0	0	0	0	0	110.7	L123 Y124 L335 Y336 S338	L123-A187 HydrophobicContact CD1-CB 4.26Å; Y124-A187 CarbonylContact O-C 3.47Å; Y124-A187 VanDerWaalsContact O-CA 3.31Å; Y124-A187 WeakPolarHBondContact O-CA 3.45Å; A187-L335 HydrophobicContact CB-CD1 3.98Å; A187-L335 HydrophobicContact CB-CD2 4.2Å; A187-L335 HydrophobicContact CB-CG 4.09Å; A187-Y336 PolarHBondContact N-O 3.39Å; A187-S338 PolarHBondContact O-N 3.01Å; A187-S338 PolarHBondContact O-OG 2.82Å; A187-S338 VanDerWaalsContact O-OG 3.07Å
188	M	96.5	Very high	92.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126	176.2	-55.2	-179.8	-54.7	0	0	110.4	Y124 F152 I162 V181 V190 S338 N339 F341	Y124-M188 HydrophobicContact CD2-CE 4.4Å; Y124-M188 HydrophobicContact CG-CE 4.11Å; Y124-M188 PolarHBondContact N-O 3.06Å; Y124-M188 PolarHBondContact O-N 3.44Å; F152-M188 HydrophobicContact CE1-CE 3.35Å; F152-M188 HydrophobicContact CE1-SD 3.75Å; F152-M188 HydrophobicContact CZ-CE 3.54Å; F152-M188 HydrophobicContact CZ-CG 4.38Å; F152-M188 HydrophobicContact CZ-SD 4.03Å; I162-M188 HydrophobicContact CD1-CE 3.63Å; I162-M188 HydrophobicContact CG1-CE 4.46Å; V181-M188 HydrophobicContact CG1-CE 4.48Å; V181-M188 HydrophobicContact CG1-SD 3.44Å; V181-M188 WeakPolarHBondContact CG1-SD 3.48Å; V181-M188 HydrophobicContact CG2-SD 4.33Å; M188-V190 HydrophobicContact CB-CG2 4.44Å; M188-S338 WeakPolarHBondContact CG-OG 3.47Å; M188-N339 WeakPolarHBondContact CA-O 3.31Å; M188-N339 HydrophobicContact CB-CB 4.17Å; M188-N339 HydrophobicContact CG-CB 3.94Å; M188-N339 HydrophobicContact SD-CB 4.46Å; M188-F341 HydrophobicContact SD-CE2 4.19Å
189	I	98.1	Very high	92.6	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.015	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	128.6	166.7	-69.2	173.9	0	0	0	108	L69 V70 L123 Y145 L337 N339 V340 F341	L69-I189 HydrophobicContact CD2-CD1 3.99Å; L69-I189 HydrophobicContact CD2-CG1 3.98Å; V70-I189 HydrophobicContact CG2-CD1 3.96Å; L123-I189 HydrophobicContact CD1-CG1 3.79Å; Y145-I189 HydrophobicContact CE1-CG2 3.98Å; Y145-I189 WeakPolarHBondContact OH-CG2 3.3Å; I189-L337 HydrophobicContact CB-CD1 4.46Å; I189-L337 HydrophobicContact CD1-CD1 3.77Å; I189-L337 HydrophobicContact CG1-CD1 3.85Å; I189-N339 PolarHBondContact N-O 2.88Å; I189-V340 HydrophobicContact CB-CG1 4.3Å; I189-V340 HydrophobicContact CB-CG2 4.46Å; I189-V340 HydrophobicContact CG2-CG1 4.13Å; I189-V340 CarbonylContact O-C 3.44Å; I189-V340 WeakPolarHBondContact O-CA 3.35Å; I189-F341 PolarHBondContact O-N 2.87Å
190	V	98.3	Very high	92.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	117.8	177	-168.2	0	0	0	0	109.4	R122 Y124 I162 W165 I177 M188 F341	R122-V190 PolarHBondContact N-O 3.5Å; R122-V190 PolarHBondContact O-N 2.87Å; Y124-V190 HydrophobicContact CD2-CB 4.31Å; Y124-V190 HydrophobicContact CD2-CG2 3.59Å; Y124-V190 HydrophobicContact CE2-CB 4.23Å; Y124-V190 HydrophobicContact CE2-CG2 3.87Å; I162-V190 HydrophobicContact CG2-CG1 4.24Å; W165-V190 HydrophobicContact CE3-CG1 4.3Å; W165-V190 HydrophobicContact CH2-CG1 4.42Å; W165-V190 WeakPolarHBondContact CH2-O 3.49Å; W165-V190 HydrophobicContact CZ3-CB 4.01Å; W165-V190 HydrophobicContact CZ3-CG1 3.56Å; I177-V190 HydrophobicContact CD1-CG1 3.35Å; I177-V190 HydrophobicContact CG2-CG1 4.3Å; M188-V190 HydrophobicContact CB-CG2 4.44Å; V190-F341 HydrophobicContact CB-CB 4.49Å; V190-F341 HydrophobicContact CG1-CB 4.08Å; V190-F341 HydrophobicContact CG2-CB 4.38Å; V190-F341 HydrophobicContact CG2-CD2 4.14Å
191	N	98.3	Very high	93.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121	172.9	-50.2	-78.2	0	0	0	108.3	V62 S66 N120 N121 Y145 M193 F341 A343	V62-N191 HydrophobicContact CG1-CB 3.66Å; V62-N191 VanDerWaalsContact CG1-CG 3.49Å; V62-N191 WeakPolarHBondContact CG1-OD1 3.4Å; S66-N191 PolarHBondContact OG-ND2 2.81Å; S66-N191 PolarHBondContact OG-OD1 2.95Å; N120-N191 WeakPolarHBondContact O-CA 3.42Å; N121-N191 PolarHBondContact OD1-OD1 2.86Å; N121-N191 VanDerWaalsContact OD1-OD1 3.08Å; Y145-N191 PolarHBondContact OH-OD1 2.68Å; N191-M193 HydrophobicContact CB-CE 4.25Å; N191-F341 PolarHBondContact N-O 2.78Å; N191-F341 PolarHBondContact ND2-O 3.02Å; N191-A343 PolarHBondContact O-N 3.07Å
192	A	98.1	Very high	93.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	115.2	177.8	0	0	0	0	0	109.5	N120 W165 A166 T170 L174 I177 A343	N120-A192 PolarHBondContact N-O 2.98Å; N120-A192 PolarHBondContact O-N 3.49Å; W165-A192 HydrophobicContact CE3-CB 4.47Å; W165-A192 HydrophobicContact CH2-CB 3.87Å; W165-A192 HydrophobicContact CZ3-CB 3.7Å; A166-A192 HydrophobicContact CB-CB 4.13Å; T170-A192 HydrophobicContact CG2-CB 4.36Å; L174-A192 HydrophobicContact CD2-CB 4.1Å; I177-A192 HydrophobicContact CD1-CB 4.15Å; A192-A343 WeakPolarHBondContact CA-O 3.39Å
193	M	97.2	Very high	94.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.8	-172.7	-65.3	162.8	-72.2	0	0	112.4	V62 K118 I119 N191 H342 A343 S344 A345	V62-M193 HydrophobicContact CB-SD 4.11Å; V62-M193 HydrophobicContact CG1-CE 4.42Å; V62-M193 HydrophobicContact CG1-SD 3.96Å; V62-M193 HydrophobicContact CG2-SD 3.86Å; K118-M193 CarbonylContact O-C 3.39Å; K118-M193 WeakPolarHBondContact O-CA 3.32Å; I119-M193 HydrophobicContact CB-CG 4.47Å; I119-M193 HydrophobicContact CG1-CG 4.38Å; I119-M193 HydrophobicContact CG2-CG 4.16Å; N191-M193 HydrophobicContact CB-CE 4.25Å; M193-H342 WeakPolarHBondContact CE-CE1 3.32Å; M193-H342 VanDerWaalsContact CE-NE2 3.25Å; M193-H342 WeakPolarHBondContact CE-NE2 3.47Å; M193-A343 WeakPolarHBondContact CE-O 3.45Å; M193-A343 PolarHBondContact N-O 2.69Å; M193-S344 WeakPolarHBondContact O-CA 3.33Å; M193-A345 PolarHBondContact O-N 3.33Å
194	F	96.4	Very high	95.5	Very high	14 Å²	14	24.6 Å²	24.6	6%	0.061	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	124.6	167.5	169.9	-128.4	0	0	0	109.3	T116 W117 K118 T170 K173 K196 A345 E347	T116-F194 HydrophobicContact CG2-CD1 3.88Å; T116-F194 HydrophobicContact CG2-CE1 3.6Å; W117-F194 WeakPolarHBondContact CA-O 3.36Å; K118-F194 HydrophobicContact CB-CB 4.23Å; K118-F194 HydrophobicContact CD-CD1 4.37Å; K118-F194 HydrophobicContact CG-CD1 4.49Å; K118-F194 PolarHBondContact N-O 3.02Å; K118-F194 PolarHBondContact O-N 2.84Å; T170-F194 HydrophobicContact CG2-CB 4.25Å; K173-F194 HydrophobicContact CB-CB 4.44Å; K173-F194 HydrophobicContact CB-CD1 4.42Å; K173-F194 HydrophobicContact CB-CD2 3.77Å; K173-F194 HydrophobicContact CB-CE2 4.08Å; K173-F194 HydrophobicContact CB-CG 3.96Å; K173-F194 HydrophobicContact CD-CE2 4.04Å; K173-F194 HydrophobicContact CD-CZ 4.03Å; K173-F194 HydrophobicContact CG-CD1 4.08Å; K173-F194 HydrophobicContact CG-CD2 3.98Å; K173-F194 HydrophobicContact CG-CE1 3.94Å; K173-F194 HydrophobicContact CG-CE2 3.85Å; K173-F194 HydrophobicContact CG-CG 4.09Å; K173-F194 HydrophobicContact CG-CZ 3.83Å; F194-K196 HydrophobicContact CE1-CB 4.45Å; F194-K196 HydrophobicContact CE2-CB 4.18Å; F194-K196 HydrophobicContact CZ-CB 3.79Å; F194-A345 CarbonylContact C-O 3.51Å; F194-A345 WeakPolarHBondContact CA-O 3.46Å; F194-A345 HydrophobicContact CD2-CB 3.87Å; F194-E347 HydrophobicContact CE2-CB 3.9Å; F194-E347 HydrophobicContact CZ-CB 4.45Å
195	F	94.9	Very high	96.3	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.6	176.5	177.9	-125.2	0	0	0	110.5	T116 W117 P197 L249 A345 L346 E347 V381 Y391	T116-F195 WeakPolarHBondContact O-CA 3.35Å; T116-F195 WeakPolarHBondContact O-CD2 3.42Å; W117-F195 HydrophobicContact CD2-CD2 4.16Å; W117-F195 HydrophobicContact CE3-CB 4.36Å; W117-F195 AromaticContact CE3-CD2 3.21Å; W117-F195 HydrophobicContact CE3-CD2 3.21Å; W117-F195 AromaticContact CE3-CE2 3.58Å; W117-F195 HydrophobicContact CE3-CE2 3.58Å; W117-F195 AromaticContact CE3-CG 3.87Å; W117-F195 HydrophobicContact CE3-CG 3.87Å; W117-F195 HydrophobicContact CE3-CZ 4.48Å; W117-F195 HydrophobicContact CZ3-CD1 4.49Å; W117-F195 AromaticContact CZ3-CD2 3.72Å; W117-F195 HydrophobicContact CZ3-CD2 3.72Å; W117-F195 AromaticContact CZ3-CE2 3.93Å; W117-F195 HydrophobicContact CZ3-CE2 3.93Å; W117-F195 HydrophobicContact CZ3-CG 4.02Å; W117-F195 HydrophobicContact CZ3-CZ 4.43Å; F195-P197 HydrophobicContact CE1-CB 4.1Å; F195-P197 HydrophobicContact CE1-CG 4.17Å; F195-P197 HydrophobicContact CE2-CB 4.47Å; F195-P197 HydrophobicContact CZ-CB 3.77Å; F195-P197 HydrophobicContact CZ-CG 4.31Å; F195-L249 HydrophobicContact CZ-CD1 4.16Å; F195-A345 PolarHBondContact N-O 3.36Å; F195-L346 HydrophobicContact CD1-CD1 3.58Å; F195-L346 HydrophobicContact CE1-CD1 4.15Å; F195-L346 WeakPolarHBondContact O-CA 3.2Å; F195-E347 PolarHBondContact O-N 2.66Å; F195-V381 HydrophobicContact CE1-CG1 4.4Å; F195-V381 HydrophobicContact CE1-CG2 3.7Å; F195-V381 HydrophobicContact CZ-CG1 4.09Å; F195-V381 HydrophobicContact CZ-CG2 4.21Å; F195-Y391 HydrophobicContact CB-CE2 3.62Å; F195-Y391 AromaticContact CD1-CD2 3.82Å; F195-Y391 HydrophobicContact CD1-CD2 3.82Å; F195-Y391 AromaticContact CD1-CE2 3.76Å; F195-Y391 HydrophobicContact CD1-CE2 3.76Å; F195-Y391 HydrophobicContact CD2-CE2 4.48Å; F195-Y391 HydrophobicContact CE1-CD2 4.3Å; F195-Y391 HydrophobicContact CG-CD2 4.19Å; F195-Y391 AromaticContact CG-CE2 3.7Å; F195-Y391 HydrophobicContact CG-CE2 3.7Å
196	K	95.7	Very high	96.8	Very high	29 Å²	29	34.5 Å²	34.5	13%	0.126	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	103	168.6	-177.9	177.2	-171.1	167.1	0	107.5	T116 F194 E347 D349 D351	T116-K196 PolarHBondContact N-O 2.79Å; T116-K196 PolarHBondContact O-N 2.77Å; F194-K196 HydrophobicContact CE1-CB 4.45Å; F194-K196 HydrophobicContact CE2-CB 4.18Å; F194-K196 HydrophobicContact CZ-CB 3.79Å; K196-E347 HydrophobicContact CB-CB 4.24Å; K196-E347 HydrophobicContact CD-CG 4.3Å; K196-E347 VanDerWaalsContact CE-OE1 3.29Å; K196-E347 WeakPolarHBondContact CE-OE1 3.42Å; K196-E347 HydrophobicContact CG-CB 4.19Å; K196-E347 HydrophobicContact CG-CG 4.39Å; K196-E347 IonicContact NZ-OE1 4Å; K196-E347 PolarHBondContact NZ-OE1 3Å; K196-D349 IonicContact NZ-OD2 2.7Å; K196-D349 PolarHBondContact NZ-OD2 2.74Å; K196-D351 WeakPolarHBondContact CE-OD2 3.41Å; K196-D351 IonicContact NZ-OD2 3.28Å; K196-D351 PolarHBondContact NZ-OD2 2.94Å
197	P	93.9	Very high	97.1	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	18%	0.177	C	C	.	.			trans	-56.7	139.9	172.8	21.7	-32.6	0	0	0	110.2	F195 W199 L249 E347 L348	F195-P197 HydrophobicContact CE1-CB 4.1Å; F195-P197 HydrophobicContact CE1-CG 4.17Å; F195-P197 HydrophobicContact CE2-CB 4.47Å; F195-P197 HydrophobicContact CZ-CB 3.77Å; F195-P197 HydrophobicContact CZ-CG 4.31Å; P197-W199 HydrophobicContact CB-CH2 4.49Å; P197-W199 HydrophobicContact CG-CH2 4.3Å; P197-W199 HydrophobicContact CG-CZ2 4.3Å; P197-L249 HydrophobicContact CB-CD1 3.95Å; P197-L249 HydrophobicContact CB-CD2 3.68Å; P197-L249 HydrophobicContact CB-CG 4.47Å; P197-E347 VanDerWaalsContact CD-O 3.32Å; P197-E347 WeakPolarHBondContact CD-O 3.38Å; P197-L348 HydrophobicContact CG-CD2 3.55Å
198	H	95.4	Very high	97.2	Very high	47 Å²	47	41.6 Å²	41.6	22%	0.218	19%	0.191	C	C	.	.			trans	-108.9	117.6	170.9	-172.7	86.3	0	0	0	107.3	N114 S115 L249 G250 G352 N353	N114-H198 VanDerWaalsContact O-CB 3.22Å; N114-H198 WeakPolarHBondContact O-CB 3.41Å; S115-H198 PolarHBondContact OG-N 3.37Å; H198-L249 CarbonylContact O-C 3.41Å; H198-L249 VanDerWaalsContact O-CA 3.3Å; H198-L249 WeakPolarHBondContact O-CA 2.83Å; H198-G250 PolarHBondContact O-N 3.06Å; H198-G352 VanDerWaalsContact CE1-CA 3.47Å; H198-G352 WeakPolarHBondContact CE1-CA 3.37Å; H198-G352 WeakPolarHBondContact NE2-CA 3.26Å; H198-N353 PolarHBondContact NE2-N 2.77Å; H198-N353 PolarHBondContact NE2-OD1 2.94Å; H198-N353 VanDerWaalsContact NE2-OD1 3.11Å
199	W	97.8	Very high	97.3	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.011	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-69.5	144.3	-174.9	-51.9	111.3	0	0	0	111.5	P197 E201 F203 M226 M247 L249 M256 L295 L348 D349 D351 G352 N353	P197-W199 HydrophobicContact CB-CH2 4.49Å; P197-W199 HydrophobicContact CG-CH2 4.3Å; P197-W199 HydrophobicContact CG-CZ2 4.3Å; W199-E201 WeakPolarHBondContact CB-O 3.49Å; W199-E201 PolarHBondContact O-N 2.8Å; W199-F203 AromaticContact CD1-CD2 3.59Å; W199-F203 AromaticContact CD1-CE2 3.81Å; W199-F203 HydrophobicContact CD2-CE2 4.09Å; W199-F203 AromaticContact CE2-CE2 3.83Å; W199-F203 HydrophobicContact CG-CD2 4.21Å; W199-F203 HydrophobicContact CG-CE2 4.11Å; W199-F203 HydrophobicContact CZ2-CE2 4.43Å; W199-F203 AromaticContact NE1-CD2 3.64Å; W199-F203 AromaticContact NE1-CE2 3.61Å; W199-M226 HydrophobicContact CZ2-CE 3.87Å; W199-M247 HydrophobicContact CD2-CE 4.22Å; W199-M247 HydrophobicContact CE3-CB 4.25Å; W199-M247 HydrophobicContact CE3-CE 3.74Å; W199-M247 HydrophobicContact CH2-CE 4.08Å; W199-M247 HydrophobicContact CH2-SD 4.38Å; W199-M247 HydrophobicContact CZ3-CB 3.92Å; W199-M247 HydrophobicContact CZ3-CE 3.66Å; W199-M247 HydrophobicContact CZ3-SD 4.06Å; W199-L249 HydrophobicContact CD2-CD2 4.23Å; W199-L249 HydrophobicContact CE3-CD2 3.34Å; W199-L249 HydrophobicContact CZ3-CD2 3.53Å; W199-M256 HydrophobicContact CH2-SD 3.85Å; W199-M256 HydrophobicContact CZ3-CB 4.29Å; W199-M256 HydrophobicContact CZ3-SD 4.25Å; W199-L295 HydrophobicContact CH2-CD2 4Å; W199-L295 HydrophobicContact CZ2-CD2 4.04Å; W199-L348 HydrophobicContact CH2-CD2 4.44Å; W199-L348 HydrophobicContact CZ2-CD2 4.45Å; W199-D349 PolarHBondContact NE1-O 3.09Å; W199-D351 PolarHBondContact N-O 3.43Å; W199-D351 VanDerWaalsContact N-O 3.08Å; W199-G352 CarbonylContact O-C 3.52Å; W199-G352 WeakPolarHBondContact O-CA 3.45Å; W199-N353 PolarHBondContact O-N 3.1Å
200	D	97.3	Very high	97.2	Very high	23 Å²	23	50.4 Å²	50.4	12%	0.123	24%	0.238	C	C	.	.	S	Bend	trans	-60.3	-37.1	171.8	-171.7	62.3	0	0	0	111	P248 K251 K252 N353	D200-P248 HydrophobicContact CB-CB 3.74Å; D200-P248 WeakPolarHBondContact CB-O 3.3Å; D200-P248 PolarHBondContact N-O 2.93Å; D200-K251 WeakPolarHBondContact OD1-CA 3.48Å; D200-K252 HydrophobicContact CB-CG 4.48Å; D200-K252 PolarHBondContact OD1-N 2.92Å; D200-K252 VanDerWaalsContact OD1-N 3.17Å; D200-K252 WeakPolarHBondContact OD2-CE 3.49Å; D200-K252 WeakPolarHBondContact OD2-CG 3.3Å; D200-N353 VanDerWaalsContact O-CB 3.29Å; D200-N353 WeakPolarHBondContact O-CB 3.48Å; D200-N353 PolarHBondContact O-ND2 2.97Å
201	E	97.6	Very high	97.2	Very high	55 Å²	55	55.2 Å²	55.2	26%	0.257	26%	0.256	S	S	.	.	S	Bend	trans	-127.9	117.6	170.8	-55.9	-175.6	153.3	0	0	109.5	W199 R228 Y355	W199-E201 WeakPolarHBondContact CB-O 3.49Å; W199-E201 PolarHBondContact O-N 2.8Å; E201-R228 VanDerWaalsContact CB-NH2 3.29Å; E201-R228 IonicContact OE2-CZ 3.41Å; E201-R228 VanDerWaalsContact OE2-CZ 3.23Å; E201-R228 IonicContact OE2-NH1 2.73Å; E201-R228 PolarHBondContact OE2-NH1 2.73Å; E201-R228 IonicContact OE2-NH2 3.69Å; E201-R228 PolarHBondContact OE2-NH2 2.64Å; E201-Y355 HydrophobicContact CB-CD1 3.87Å; E201-Y355 HydrophobicContact CB-CG 4.11Å; E201-Y355 HydrophobicContact CG-CG 4.34Å
202	R	97.7	Very high	97.1	Very high	112 Å²	112	56.3 Å²	56.3	42%	0.423	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-64.3	157.7	-173.8	67.7	-175.1	178.2	174.9	0.3	114.7	R228 N353 Y355	R202-R228 WeakPolarHBondContact O-CD 3.46Å; R202-R228 PolarHBondContact O-NE 3.29Å; R202-R228 VanDerWaalsContact O-NE 3.1Å; R202-N353 WeakPolarHBondContact CG-O 3.37Å; R202-N353 PolarHBondContact N-O 3.22Å; R202-Y355 HydrophobicContact CG-CD1 4.34Å; R202-Y355 HydrophobicContact CG-CE1 4.1Å; R202-Y355 VanDerWaalsContact O-CE1 3.27Å; R202-Y355 WeakPolarHBondContact O-CE1 3.41Å
203	F	98.6	Very high	97.1	Very high	3 Å²	3	56.3 Å²	56.3	1%	0.013	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-77.2	156.3	161	-68.5	-107.2	0	0	0	109.5	W199 M226 R228 M247 I293 V350	W199-F203 AromaticContact CD1-CD2 3.59Å; W199-F203 AromaticContact CD1-CE2 3.81Å; W199-F203 HydrophobicContact CD2-CE2 4.09Å; W199-F203 AromaticContact CE2-CE2 3.83Å; W199-F203 HydrophobicContact CG-CD2 4.21Å; W199-F203 HydrophobicContact CG-CE2 4.11Å; W199-F203 HydrophobicContact CZ2-CE2 4.43Å; W199-F203 AromaticContact NE1-CD2 3.64Å; W199-F203 AromaticContact NE1-CE2 3.61Å; F203-M226 HydrophobicContact CB-SD 4.46Å; F203-M226 HydrophobicContact CD1-CB 3.89Å; F203-M226 HydrophobicContact CD1-CG 3.76Å; F203-M226 HydrophobicContact CD1-SD 4.1Å; F203-M226 HydrophobicContact CD2-CE 4.25Å; F203-M226 HydrophobicContact CD2-SD 3.93Å; F203-M226 HydrophobicContact CE1-CB 4.37Å; F203-M226 HydrophobicContact CE1-CG 3.84Å; F203-M226 HydrophobicContact CE1-SD 4.34Å; F203-M226 HydrophobicContact CE2-CE 3.93Å; F203-M226 HydrophobicContact CE2-SD 4.18Å; F203-M226 HydrophobicContact CG-CB 4.36Å; F203-M226 HydrophobicContact CG-CG 4.18Å; F203-M226 HydrophobicContact CG-SD 3.91Å; F203-M226 HydrophobicContact CZ-CE 4.09Å; F203-M226 HydrophobicContact CZ-CG 4.32Å; F203-M226 HydrophobicContact CZ-SD 4.38Å; F203-R228 HydrophobicContact CD1-CB 3.47Å; F203-R228 VanDerWaalsContact CD1-CB 3.47Å; F203-R228 HydrophobicContact CE1-CB 3.51Å; F203-R228 HydrophobicContact CG-CB 4.16Å; F203-R228 HydrophobicContact CZ-CB 4.24Å; F203-M247 HydrophobicContact CE2-CE 3.77Å; F203-M247 HydrophobicContact CZ-CE 3.69Å; F203-I293 HydrophobicContact CZ-CG2 4.38Å; F203-V350 HydrophobicContact CB-CB 3.79Å; F203-V350 HydrophobicContact CB-CG1 3.89Å; F203-V350 PolarHBondContact N-O 2.81Å
204	H	97.7	Very high	97.2	Very high	105 Å²	105	58.7 Å²	58.7	49%	0.486	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-83.7	129.9	172.7	-169.1	-35.7	0	0	0	109.3	K206 M207	H204-K206 PolarHBondContact ND1-N 2.87Å; H204-K206 PolarHBondContact O-N 3.38Å; H204-M207 HydrophobicContact CB-CB 4.18Å; H204-M207 HydrophobicContact CB-CG 3.82Å; H204-M207 WeakPolarHBondContact O-CB 3.13Å; H204-M207 PolarHBondContact O-N 3.22Å
205	E	97.1	Very high	97.2	Very high	143 Å²	143	58.7 Å²	58.7	67%	0.668	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-23.5	-178.2	-65	171.7	-166.5	0	0	115.2	V350	E205-V350 HydrophobicContact CG-CG2 4.04Å
206	K	97.8	Very high	97.2	Very high	181 Å²	181	61.6 Å²	61.6	79%	0.787	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-11.3	178.4	-64	-174.5	178.2	-178.8	0	113.1	H204 V208	H204-K206 PolarHBondContact ND1-N 2.87Å; H204-K206 PolarHBondContact O-N 3.38Å; K206-V208 PolarHBondContact O-N 3.15Å; K206-V208 VanDerWaalsContact O-N 3.15Å
207	M	98.3	Very high	97.1	Very high	102 Å²	102	70.6 Å²	70.6	50%	0.502	33%	0.332	S	S	.	.	S	Bend	trans	-89	52.4	175.4	-65.9	-64.5	-64.5	0	0	109.5	H204 M226 H227	H204-M207 HydrophobicContact CB-CB 4.18Å; H204-M207 HydrophobicContact CB-CG 3.82Å; H204-M207 WeakPolarHBondContact O-CB 3.13Å; H204-M207 PolarHBondContact O-N 3.22Å; M207-M226 WeakPolarHBondContact O-CA 3.47Å; M207-H227 HydrophobicContact CB-CB 4.4Å; M207-H227 WeakPolarHBondContact CB-O 3.28Å; M207-H227 HydrophobicContact CE-CB 4.22Å; M207-H227 PolarHBondContact O-N 3.41Å
208	V	98.5	Very high	97.1	Very high	49 Å²	49	75.4 Å²	75.4	30%	0.297	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	124.1	179.1	-177.3	0	0	0	0	107.7	K206 M225 M226 V350	K206-V208 PolarHBondContact O-N 3.15Å; K206-V208 VanDerWaalsContact O-N 3.15Å; V208-M225 VanDerWaalsContact CA-O 3.25Å; V208-M225 WeakPolarHBondContact CA-O 3.49Å; V208-M226 HydrophobicContact CG2-CB 4.08Å; V208-V350 HydrophobicContact CG2-CG1 3.72Å
209	D	98.1	Very high	97.1	Very high	56 Å²	56	75 Å²	75	30%	0.299	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	173.8	176.2	67.7	29.3	0	0	0	111.4	R211 S224 M225 H227	D209-R211 VanDerWaalsContact CG-NE 3.33Å; D209-R211 WeakPolarHBondContact OD1-CD 3.36Å; D209-R211 WeakPolarHBondContact OD1-CG 3.44Å; D209-R211 IonicContact OD1-CZ 2.66Å; D209-R211 IonicContact OD1-NE 3.01Å; D209-R211 PolarHBondContact OD1-NE 3.26Å; D209-R211 IonicContact OD1-NH2 2.91Å; D209-R211 IonicContact OD2-CZ 3.39Å; D209-R211 IonicContact OD2-NE 2.73Å; D209-R211 PolarHBondContact OD2-NE 2.88Å; D209-R211 IonicContact OD2-NH2 2.91Å; D209-R211 PolarHBondContact OD2-NH2 2.86Å; D209-S224 CarbonylContact O-C 3.54Å; D209-S224 WeakPolarHBondContact O-CA 3.41Å; D209-M225 PolarHBondContact N-O 3.35Å; D209-M225 PolarHBondContact O-N 2.99Å; D209-H227 IonicContact OD1-CE1 2.65Å; D209-H227 IonicContact OD1-NE2 2.81Å; D209-H227 PolarHBondContact OD1-NE2 2.77Å; D209-H227 IonicContact OD2-NE2 3.16Å
210	N	97.6	Very high	97	Very high	132 Å²	132	75.5 Å²	75.5	71%	0.706	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	130	178.4	-69.5	-35.6	0	0	0	110	V223 S224	N210-V223 WeakPolarHBondContact CA-O 3.22Å; N210-S224 PolarHBondContact OD1-OG 3.26Å
211	R	97.5	Very high	97	Very high	101 Å²	101	74.4 Å²	74.4	38%	0.381	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	161.7	179.4	-59.7	-63.9	-179	154.4	-6.4	110.9	D209 V223 M225 Y372	D209-R211 VanDerWaalsContact CG-NE 3.33Å; D209-R211 WeakPolarHBondContact OD1-CD 3.36Å; D209-R211 WeakPolarHBondContact OD1-CG 3.44Å; D209-R211 IonicContact OD1-CZ 2.66Å; D209-R211 IonicContact OD1-NE 3.01Å; D209-R211 PolarHBondContact OD1-NE 3.26Å; D209-R211 IonicContact OD1-NH2 2.91Å; D209-R211 IonicContact OD2-CZ 3.39Å; D209-R211 IonicContact OD2-NE 2.73Å; D209-R211 PolarHBondContact OD2-NE 2.88Å; D209-R211 IonicContact OD2-NH2 2.91Å; D209-R211 PolarHBondContact OD2-NH2 2.86Å; R211-V223 PolarHBondContact N-O 2.94Å; R211-V223 PolarHBondContact O-N 2.68Å; R211-M225 HydrophobicContact CB-CB 4.02Å; R211-M225 HydrophobicContact CB-CE 4.19Å; R211-M225 HydrophobicContact CB-SD 4.03Å; R211-M225 HydrophobicContact CG-CB 3.66Å; R211-M225 HydrophobicContact CG-CG 4.3Å; R211-M225 HydrophobicContact CG-SD 3.8Å; R211-Y372 WeakPolarHBondContact CD-OH 3.4Å; R211-Y372 WeakPolarHBondContact CG-OH 3.34Å
212	G	97	Very high	97	Very high	22 Å²	22	73.1 Å²	73.1	23%	0.227	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	135	168	0	0	0	0	0	110.7
213	F	98.1	Very high	97	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	114.9	164.1	-171.3	-81	0	0	0	108.5	V215 T220 V221 V223 P296 D374 H375 P376 F377 V396 P398	F213-V215 HydrophobicContact CD1-CG2 3.94Å; F213-V215 HydrophobicContact CE1-CG2 4.35Å; F213-V215 PolarHBondContact O-N 3.39Å; F213-V215 VanDerWaalsContact O-N 3.15Å; F213-T220 WeakPolarHBondContact O-CA 3.47Å; F213-V221 PolarHBondContact N-O 3.46Å; F213-V221 PolarHBondContact O-N 3.07Å; F213-V223 HydrophobicContact CB-CG1 3.92Å; F213-V223 HydrophobicContact CB-CG2 3.94Å; F213-P296 HydrophobicContact CD2-CG 4.4Å; F213-P296 HydrophobicContact CE2-CG 4.33Å; F213-D374 CarbonylContact C-O 3.59Å; F213-D374 WeakPolarHBondContact CA-O 3.35Å; F213-H375 VanDerWaalsContact CZ-O 3.27Å; F213-H375 WeakPolarHBondContact CZ-O 3.4Å; F213-P376 HydrophobicContact CE1-CG 4.48Å; F213-F377 HydrophobicContact CE2-CD1 4.37Å; F213-F377 HydrophobicContact CE2-CE1 4.23Å; F213-F377 HydrophobicContact CZ-CD1 4.44Å; F213-V396 WeakPolarHBondContact CE1-O 3.39Å; F213-P398 HydrophobicContact CB-CG 4Å; F213-P398 VanDerWaalsContact CD1-CD 3.45Å; F213-P398 HydrophobicContact CD1-CG 3.73Å; F213-P398 HydrophobicContact CD2-CG 4.21Å; F213-P398 HydrophobicContact CE1-CG 4.23Å; F213-P398 HydrophobicContact CG-CG 3.71Å
214	L	97.9	Very high	97	Very high	50 Å²	50	70.2 Å²	70.2	26%	0.262	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	91.7	-179.5	-54.5	171.8	0	0	0	109.4	T220 L264 D374 H375 P376	L214-T220 HydrophobicContact CD2-CG2 4.1Å; L214-T220 WeakPolarHBondContact CD2-OG1 3.22Å; L214-L264 HydrophobicContact CB-CD1 4.18Å; L214-L264 HydrophobicContact CB-CD2 3.72Å; L214-L264 HydrophobicContact CD1-CD2 4.25Å; L214-L264 WeakPolarHBondContact O-CD1 3.46Å; L214-D374 PolarHBondContact N-O 2.97Å; L214-H375 HydrophobicContact CB-CB 4.39Å; L214-P376 VanDerWaalsContact O-CD 3.32Å; L214-P376 WeakPolarHBondContact O-CD 3.25Å
215	V	97.1	Very high	97	Very high	14 Å²	14	65.2 Å²	65.2	9%	0.085	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-41.2	175.1	177.6	0	0	0	0	110	F213 F219 V221 R397	F213-V215 HydrophobicContact CD1-CG2 3.94Å; F213-V215 HydrophobicContact CE1-CG2 4.35Å; F213-V215 PolarHBondContact O-N 3.39Å; F213-V215 VanDerWaalsContact O-N 3.15Å; V215-F219 HydrophobicContact CB-CD1 3.6Å; V215-F219 HydrophobicContact CB-CE1 4.19Å; V215-F219 WeakPolarHBondContact CB-O 3.48Å; V215-F219 HydrophobicContact CG1-CD1 3.79Å; V215-F219 HydrophobicContact CG1-CE1 4.28Å; V215-F219 HydrophobicContact CG2-CD1 3.94Å; V215-F219 HydrophobicContact CG2-CE1 4.05Å; V215-F219 PolarHBondContact N-O 3.19Å; V215-V221 HydrophobicContact CG2-CB 4.44Å; V215-V221 HydrophobicContact CG2-CG2 3.84Å; V215-R397 HydrophobicContact CG1-CB 4.19Å; V215-R397 HydrophobicContact CG1-CG 4.42Å; V215-R397 HydrophobicContact CG2-CB 4.35Å; V215-R397 HydrophobicContact CG2-CG 4.13Å
216	T	95.4	Very high	97.1	Very high	65 Å²	65	58.4 Å²	58.4	40%	0.399	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	171.8	168.6	71.2	0	0	0	0	109.1	S218 F219	T216-S218 PolarHBondContact O-N 3.07Å; T216-S218 PolarHBondContact OG1-N 3.18Å; T216-F219 PolarHBondContact N-O 3.02Å; T216-F219 VanDerWaalsContact N-O 3.17Å; T216-F219 PolarHBondContact O-N 3.27Å; T216-F219 VanDerWaalsContact O-N 3.11Å; T216-F219 WeakPolarHBondContact OG1-CB 3.39Å; T216-F219 PolarHBondContact OG1-N 2.95Å
217	R	92.4	Very high	97.1	Very high	218 Å²	218	51 Å²	51	82%	0.823	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.3	177.4	-69.3	-175.4	-177.5	-170.8	0.8	114.4	L264	R217-L264 HydrophobicContact CB-CD2 4.44Å; R217-L264 HydrophobicContact CG-CD2 3.86Å; R217-L264 HydrophobicContact CG-CG 4.49Å
218	S	93.5	Very high	97.1	Very high	102 Å²	102	46.6 Å²	46.6	71%	0.713	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	6.5	-178.6	59.1	0	0	0	0	113.4	T216	T216-S218 PolarHBondContact O-N 3.07Å; T216-S218 PolarHBondContact OG1-N 3.18Å
219	F	95.6	Very high	97.1	Very high	39 Å²	39	46.5 Å²	46.5	17%	0.171	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	104	-176.1	-172.3	-119.4	0	0	0	110.9	V215 T216 V221 K402	V215-F219 HydrophobicContact CB-CD1 3.6Å; V215-F219 HydrophobicContact CB-CE1 4.19Å; V215-F219 WeakPolarHBondContact CB-O 3.48Å; V215-F219 HydrophobicContact CG1-CD1 3.79Å; V215-F219 HydrophobicContact CG1-CE1 4.28Å; V215-F219 HydrophobicContact CG2-CD1 3.94Å; V215-F219 HydrophobicContact CG2-CE1 4.05Å; V215-F219 PolarHBondContact N-O 3.19Å; T216-F219 PolarHBondContact N-O 3.02Å; T216-F219 VanDerWaalsContact N-O 3.17Å; T216-F219 PolarHBondContact O-N 3.27Å; T216-F219 VanDerWaalsContact O-N 3.11Å; T216-F219 WeakPolarHBondContact OG1-CB 3.39Å; T216-F219 PolarHBondContact OG1-N 2.95Å; F219-V221 HydrophobicContact CD1-CG2 4.41Å; F219-V221 HydrophobicContact CE1-CG2 3.66Å; F219-V221 HydrophobicContact CZ-CG2 3.71Å; F219-K402 HydrophobicContact CD2-CD 3.9Å; F219-K402 HydrophobicContact CD2-CG 3.92Å; F219-K402 HydrophobicContact CE2-CB 3.86Å; F219-K402 HydrophobicContact CE2-CD 3.71Å; F219-K402 HydrophobicContact CE2-CG 3.59Å
220	T	97.1	Very high	97.1	Very high	14 Å²	14	43.9 Å²	43.9	9%	0.086	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.6	177.7	-53.2	0	0	0	0	109.4	F213 L214 M403	F213-T220 WeakPolarHBondContact O-CA 3.47Å; L214-T220 HydrophobicContact CD2-CG2 4.1Å; L214-T220 WeakPolarHBondContact CD2-OG1 3.22Å; T220-M403 HydrophobicContact CG2-CB 4.25Å; T220-M403 HydrophobicContact CG2-SD 4.25Å; T220-M403 PolarHBondContact O-N 3.1Å
221	V	96.9	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.7	177.8	174.7	0	0	0	0	109.1	F213 V215 F219 V223 G400 D401	F213-V221 PolarHBondContact N-O 3.46Å; F213-V221 PolarHBondContact O-N 3.07Å; V215-V221 HydrophobicContact CG2-CB 4.44Å; V215-V221 HydrophobicContact CG2-CG2 3.84Å; F219-V221 HydrophobicContact CD1-CG2 4.41Å; F219-V221 HydrophobicContact CE1-CG2 3.66Å; F219-V221 HydrophobicContact CZ-CG2 3.71Å; V221-V223 HydrophobicContact CG1-CG1 4.34Å; V221-G400 VanDerWaalsContact CG1-C 3.4Å; V221-G400 VanDerWaalsContact CG1-CA 3.42Å; V221-D401 WeakPolarHBondContact CA-O 3.24Å
222	G	97.1	Very high	97.2	Very high	27 Å²	27	35.3 Å²	35.3	28%	0.278	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.4	173.9	0	0	0	0	0	110.8	D401 M403	G222-D401 PolarHBondContact N-O 3.21Å; G222-M403 WeakPolarHBondContact CA-SD 3.47Å
223	V	97.6	Very high	97.3	Very high	10 Å²	10	36.7 Å²	36.7	6%	0.061	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	150.3	177.4	-60.4	0	0	0	0	110.7	N210 R211 F213 V221 P296 P398	N210-V223 WeakPolarHBondContact CA-O 3.22Å; R211-V223 PolarHBondContact N-O 2.94Å; R211-V223 PolarHBondContact O-N 2.68Å; F213-V223 HydrophobicContact CB-CG1 3.92Å; F213-V223 HydrophobicContact CB-CG2 3.94Å; V221-V223 HydrophobicContact CG1-CG1 4.34Å; V223-P296 HydrophobicContact CG2-CB 4.17Å; V223-P398 HydrophobicContact CG1-CB 3.99Å; V223-P398 HydrophobicContact CG1-CG 3.59Å
224	S	98	Very high	97.3	Very high	45 Å²	45	36.8 Å²	36.8	32%	0.315	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	131.2	161.8	-59.3	0	0	0	0	108.8	D209 N210 K297	D209-S224 CarbonylContact O-C 3.54Å; D209-S224 WeakPolarHBondContact O-CA 3.41Å; N210-S224 PolarHBondContact OD1-OG 3.26Å; S224-K297 WeakPolarHBondContact O-CB 3.49Å; S224-K297 PolarHBondContact O-N 2.92Å
225	M	98.6	Very high	97.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.5	179.6	-166.8	166.6	-84.8	0	0	108.9	V208 D209 R211 H227 S294 Y372 V373 D374	V208-M225 VanDerWaalsContact CA-O 3.25Å; V208-M225 WeakPolarHBondContact CA-O 3.49Å; D209-M225 PolarHBondContact N-O 3.35Å; D209-M225 PolarHBondContact O-N 2.99Å; R211-M225 HydrophobicContact CB-CB 4.02Å; R211-M225 HydrophobicContact CB-CE 4.19Å; R211-M225 HydrophobicContact CB-SD 4.03Å; R211-M225 HydrophobicContact CG-CB 3.66Å; R211-M225 HydrophobicContact CG-CG 4.3Å; R211-M225 HydrophobicContact CG-SD 3.8Å; M225-H227 PolarHBondContact O-NE2 3.27Å; M225-S294 VanDerWaalsContact SD-CB 3.51Å; M225-Y372 HydrophobicContact SD-CD2 4.35Å; M225-Y372 HydrophobicContact SD-CE1 4.31Å; M225-Y372 HydrophobicContact SD-CE2 3.63Å; M225-Y372 VanDerWaalsContact SD-CZ 3.59Å; M225-V373 WeakPolarHBondContact CE-O 3.49Å; M225-D374 HydrophobicContact CE-CB 4.2Å
226	M	98.7	Very high	97.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	141.1	176.8	60.8	-177.7	179.5	0	0	110.5	W199 F203 M207 V208 S294 L295 L348 D349 V350	W199-M226 HydrophobicContact CZ2-CE 3.87Å; F203-M226 HydrophobicContact CB-SD 4.46Å; F203-M226 HydrophobicContact CD1-CB 3.89Å; F203-M226 HydrophobicContact CD1-CG 3.76Å; F203-M226 HydrophobicContact CD1-SD 4.1Å; F203-M226 HydrophobicContact CD2-CE 4.25Å; F203-M226 HydrophobicContact CD2-SD 3.93Å; F203-M226 HydrophobicContact CE1-CB 4.37Å; F203-M226 HydrophobicContact CE1-CG 3.84Å; F203-M226 HydrophobicContact CE1-SD 4.34Å; F203-M226 HydrophobicContact CE2-CE 3.93Å; F203-M226 HydrophobicContact CE2-SD 4.18Å; F203-M226 HydrophobicContact CG-CB 4.36Å; F203-M226 HydrophobicContact CG-CG 4.18Å; F203-M226 HydrophobicContact CG-SD 3.91Å; F203-M226 HydrophobicContact CZ-CE 4.09Å; F203-M226 HydrophobicContact CZ-CG 4.32Å; F203-M226 HydrophobicContact CZ-SD 4.38Å; M207-M226 WeakPolarHBondContact O-CA 3.47Å; V208-M226 HydrophobicContact CG2-CB 4.08Å; M226-S294 WeakPolarHBondContact O-CA 3.33Å; M226-L295 HydrophobicContact CE-CB 4.06Å; M226-L295 HydrophobicContact CE-CD2 3.65Å; M226-L295 HydrophobicContact CE-CG 4.15Å; M226-L295 HydrophobicContact CG-CB 4.35Å; M226-L295 WeakPolarHBondContact CG-O 3.38Å; M226-L295 PolarHBondContact N-O 3.49Å; M226-L295 PolarHBondContact O-N 2.91Å; M226-L348 HydrophobicContact CE-CB 4.36Å; M226-D349 WeakPolarHBondContact CE-O 2.94Å; M226-D349 VanDerWaalsContact SD-O 3.34Å; M226-V350 HydrophobicContact CB-CG1 4.03Å; M226-V350 HydrophobicContact SD-CG1 3.94Å
227	H	98.8	Very high	97.5	Very high	24 Å²	24	34.9 Å²	34.9	11%	0.111	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.5	-170.7	-52.9	-81	0	0	0	111.9	M207 D209 M225 I293 S294	M207-H227 HydrophobicContact CB-CB 4.4Å; M207-H227 WeakPolarHBondContact CB-O 3.28Å; M207-H227 HydrophobicContact CE-CB 4.22Å; M207-H227 PolarHBondContact O-N 3.41Å; D209-H227 IonicContact OD1-CE1 2.65Å; D209-H227 IonicContact OD1-NE2 2.81Å; D209-H227 PolarHBondContact OD1-NE2 2.77Å; D209-H227 IonicContact OD2-NE2 3.16Å; M225-H227 PolarHBondContact O-NE2 3.27Å; H227-I293 WeakPolarHBondContact CA-O 3.24Å; H227-S294 VanDerWaalsContact ND1-CB 3.31Å; H227-S294 WeakPolarHBondContact ND1-CB 3.32Å; H227-S294 PolarHBondContact ND1-OG 3.08Å
228	R	98.3	Very high	97.8	Very high	11 Å²	11	31.4 Å²	31.4	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	132.5	173.7	-178	173.3	-170.2	-80.6	-9.3	111	E201 R202 F203 Y232 I293	E201-R228 VanDerWaalsContact CB-NH2 3.29Å; E201-R228 IonicContact OE2-CZ 3.41Å; E201-R228 VanDerWaalsContact OE2-CZ 3.23Å; E201-R228 IonicContact OE2-NH1 2.73Å; E201-R228 PolarHBondContact OE2-NH1 2.73Å; E201-R228 IonicContact OE2-NH2 3.69Å; E201-R228 PolarHBondContact OE2-NH2 2.64Å; R202-R228 WeakPolarHBondContact O-CD 3.46Å; R202-R228 PolarHBondContact O-NE 3.29Å; R202-R228 VanDerWaalsContact O-NE 3.1Å; F203-R228 HydrophobicContact CD1-CB 3.47Å; F203-R228 VanDerWaalsContact CD1-CB 3.47Å; F203-R228 HydrophobicContact CE1-CB 3.51Å; F203-R228 HydrophobicContact CG-CB 4.16Å; F203-R228 HydrophobicContact CZ-CB 4.24Å; R228-Y232 WeakPolarHBondContact CD-OH 3.41Å; R228-Y232 VanDerWaalsContact NH1-CZ 3.3Å; R228-Y232 PolarHBondContact NH1-OH 3.26Å; R228-I293 PolarHBondContact N-O 3.47Å; R228-I293 PolarHBondContact O-N 3.29Å
229	T	98.4	Very high	98	Very high	47 Å²	47	34.7 Å²	34.7	29%	0.288	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.6	163.8	-57.5	0	0	0	0	109	V291 F360 L365 P368	T229-V291 WeakPolarHBondContact CA-O 3.32Å; T229-F360 WeakPolarHBondContact O-CE1 3.4Å; T229-L365 HydrophobicContact CG2-CD2 4.49Å; T229-P368 HydrophobicContact CG2-CB 3.93Å; T229-P368 HydrophobicContact CG2-CG 4.09Å
230	G	98.1	Very high	98.1	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	-175.6	179.3	0	0	0	0	0	112.1	Y232 A290 V291 L365	G230-Y232 WeakPolarHBondContact O-CD2 3.47Å; G230-A290 WeakPolarHBondContact O-CA 3.45Å; G230-V291 PolarHBondContact N-O 2.93Å; G230-V291 PolarHBondContact O-N 2.84Å; G230-L365 VanDerWaalsContact C-CD2 3.5Å
231	L	98.1	Very high	98.1	Very high	43 Å²	43	37.5 Å²	37.5	23%	0.225	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	124.1	173.1	-68.5	179.2	0	0	0	110	R289 I359 K364 L365	L231-R289 WeakPolarHBondContact CA-O 3.36Å; L231-I359 HydrophobicContact CD1-CD1 4.05Å; L231-I359 HydrophobicContact CG-CD1 4.25Å; L231-K364 HydrophobicContact CD1-CB 4.42Å; L231-K364 HydrophobicContact CD1-CD 4.15Å; L231-K364 HydrophobicContact CD2-CB 4.35Å; L231-L365 HydrophobicContact CD2-CD2 3.85Å; L231-L365 HydrophobicContact CG-CD2 3.91Å
232	Y	98.5	Very high	98.2	Very high	10 Å²	10	37.5 Å²	37.5	4%	0.039	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	152.3	-177.7	-64.2	-86.3	0	0	0	110.5	R228 G230 F234 L245 M247 N288 R289 V291 I293	R228-Y232 WeakPolarHBondContact CD-OH 3.41Å; R228-Y232 VanDerWaalsContact NH1-CZ 3.3Å; R228-Y232 PolarHBondContact NH1-OH 3.26Å; G230-Y232 WeakPolarHBondContact O-CD2 3.47Å; Y232-F234 PolarHBondContact O-N 3.47Å; Y232-L245 HydrophobicContact CG-CD1 4.09Å; Y232-M247 HydrophobicContact CD1-CG 4.25Å; Y232-M247 HydrophobicContact CE1-CE 4.39Å; Y232-M247 HydrophobicContact CE1-CG 4.19Å; Y232-N288 WeakPolarHBondContact O-CA 3.48Å; Y232-R289 PolarHBondContact N-O 2.82Å; Y232-R289 PolarHBondContact O-N 3.34Å; Y232-V291 HydrophobicContact CD2-CB 4.02Å; Y232-I293 HydrophobicContact CD1-CD1 3.97Å; Y232-I293 HydrophobicContact CD2-CD1 3.64Å; Y232-I293 HydrophobicContact CD2-CG1 4.39Å; Y232-I293 HydrophobicContact CE1-CD1 3.63Å; Y232-I293 HydrophobicContact CE2-CD1 3.26Å; Y232-I293 HydrophobicContact CE2-CG1 4.14Å; Y232-I293 HydrophobicContact CG-CD1 3.95Å
233	D	98.5	Very high	98.3	Very high	50 Å²	50	38.8 Å²	38.8	27%	0.267	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	122.7	169.6	-40	-47	0	0	0	108.2	N246 M286 N288	D233-N246 HydrophobicContact CB-CB 3.98Å; D233-N246 PolarHBondContact O-N 2.65Å; D233-N246 PolarHBondContact OD2-ND2 2.98Å; D233-M286 HydrophobicContact CB-CB 3.75Å; D233-M286 HydrophobicContact CB-SD 4.12Å; D233-N288 PolarHBondContact OD1-ND2 3Å
234	F	98.8	Very high	98.3	Very high	3 Å²	3	38.4 Å²	38.4	1%	0.013	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	139.5	-170.5	174.6	-89.3	0	0	0	110.2	Y232 E236 Y243 I244 L245 E287 R289 V291 K369 F371	Y232-F234 PolarHBondContact O-N 3.47Å; F234-E236 HydrophobicContact CE1-CB 3.93Å; F234-E236 HydrophobicContact CZ-CB 4.43Å; F234-Y243 HydrophobicContact CE1-CD1 4.44Å; F234-Y243 AromaticContact CE2-CD1 3.98Å; F234-Y243 HydrophobicContact CE2-CD1 3.98Å; F234-Y243 HydrophobicContact CE2-CG 4.42Å; F234-Y243 AromaticContact CZ-CD1 3.46Å; F234-Y243 HydrophobicContact CZ-CD1 3.46Å; F234-Y243 VanDerWaalsContact CZ-CD1 3.46Å; F234-Y243 AromaticContact CZ-CE1 3.99Å; F234-Y243 HydrophobicContact CZ-CE1 3.99Å; F234-Y243 HydrophobicContact CZ-CG 4.32Å; F234-I244 WeakPolarHBondContact CA-O 3.25Å; F234-L245 HydrophobicContact CB-CD1 4.43Å; F234-L245 HydrophobicContact CD2-CD1 4.18Å; F234-E287 PolarHBondContact N-O 3.48Å; F234-E287 PolarHBondContact O-N 2.73Å; F234-R289 HydrophobicContact CB-CG 4.07Å; F234-R289 HydrophobicContact CD1-CG 4.5Å; F234-V291 HydrophobicContact CB-CG2 3.84Å; F234-V291 HydrophobicContact CD2-CG1 4.42Å; F234-V291 HydrophobicContact CD2-CG2 4.09Å; F234-V291 HydrophobicContact CG-CG2 4.05Å; F234-K369 HydrophobicContact CE1-CB 4.21Å; F234-K369 HydrophobicContact CE1-CG 4.19Å; F234-K369 HydrophobicContact CZ-CB 4.21Å; F234-F371 HydrophobicContact CD2-CD2 4.41Å; F234-F371 AromaticContact CE2-CD2 3.92Å; F234-F371 HydrophobicContact CE2-CD2 3.92Å
235	Y	98.7	Very high	98.4	Very high	42 Å²	42	36.2 Å²	36.2	17%	0.165	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	137.7	173.9	178.4	-119	0	0	0	110.2	D237 I244 W282 K285	Y235-D237 HydrophobicContact CD1-CB 4.21Å; Y235-D237 HydrophobicContact CE1-CB 3.52Å; Y235-I244 HydrophobicContact CD1-CD1 3.68Å; Y235-I244 HydrophobicContact CE1-CD1 4.33Å; Y235-I244 PolarHBondContact N-O 3.26Å; Y235-I244 PolarHBondContact O-N 2.81Å; Y235-W282 HydrophobicContact CD1-CB 4.49Å; Y235-W282 AromaticContact CD1-CD1 3.98Å; Y235-W282 AromaticContact CE1-CD1 3.73Å; Y235-K285 HydrophobicContact CD1-CB 4.25Å; Y235-K285 HydrophobicContact CD2-CB 3.63Å; Y235-K285 WeakPolarHBondContact CD2-O 3.42Å; Y235-K285 HydrophobicContact CE1-CB 4.32Å; Y235-K285 HydrophobicContact CE1-CD 3.99Å; Y235-K285 HydrophobicContact CE2-CB 3.7Å; Y235-K285 HydrophobicContact CE2-CD 3.81Å; Y235-K285 HydrophobicContact CE2-CG 4.38Å; Y235-K285 HydrophobicContact CG-CB 3.94Å; Y235-K285 WeakPolarHBondContact OH-CD 3.31Å
236	E	98.3	Very high	98.4	Very high	42 Å²	42	37.2 Å²	37.2	20%	0.196	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	101.5	176.9	-177.4	179.5	163.3	0	0	107.6	F234 K238 Y243 Y262 K369	F234-E236 HydrophobicContact CE1-CB 3.93Å; F234-E236 HydrophobicContact CZ-CB 4.43Å; E236-K238 HydrophobicContact CG-CG 3.95Å; E236-K238 PolarHBondContact O-N 3.26Å; E236-K238 VanDerWaalsContact O-N 3.1Å; E236-K238 VanDerWaalsContact OE1-CE 3.24Å; E236-K238 WeakPolarHBondContact OE1-CE 3.07Å; E236-Y243 HydrophobicContact CB-CD1 4.41Å; E236-Y243 HydrophobicContact CB-CE1 4.49Å; E236-Y243 HydrophobicContact CG-CD1 4.12Å; E236-Y243 HydrophobicContact CG-CE1 3.81Å; E236-Y262 HydrophobicContact CG-CE1 4.18Å; E236-Y262 WeakPolarHBondContact CG-OH 3.33Å; E236-K369 IonicContact OE2-NZ 3.66Å
237	D	98.3	Very high	98.4	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	82.3	177.4	-165.2	-20.3	0	0	0	109.7	Y235 E239 N240 N241 L242 I244 Y262 W282	Y235-D237 HydrophobicContact CD1-CB 4.21Å; Y235-D237 HydrophobicContact CE1-CB 3.52Å; D237-E239 PolarHBondContact O-N 3.39Å; D237-E239 PolarHBondContact OD1-N 2.76Å; D237-N240 HydrophobicContact CB-CB 4.45Å; D237-N240 CarbonylContact O-C 3.52Å; D237-N240 PolarHBondContact O-N 3.05Å; D237-N240 PolarHBondContact OD1-N 3.11Å; D237-N240 PolarHBondContact OD1-ND2 3.01Å; D237-N240 PolarHBondContact OD2-ND2 2.94Å; D237-N241 WeakPolarHBondContact O-CA 3.42Å; D237-N241 PolarHBondContact O-N 2.65Å; D237-L242 HydrophobicContact CB-CB 4.17Å; D237-L242 PolarHBondContact N-O 3.38Å; D237-L242 PolarHBondContact O-N 3.4Å; D237-L242 VanDerWaalsContact O-N 3.11Å; D237-I244 HydrophobicContact CB-CD1 4.08Å; D237-Y262 VanDerWaalsContact C-OH 3.3Å; D237-Y262 PolarHBondContact O-OH 3.38Å; D237-W282 PolarHBondContact OD2-NE1 3.31Å
238	K	97.9	Very high	98.3	Very high	146 Å²	146	37.6 Å²	37.6	64%	0.635	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-25	-179.1	-63.6	-175.9	178.7	-179.2	0	113.9	E236 N241 Y262	E236-K238 HydrophobicContact CG-CG 3.95Å; E236-K238 PolarHBondContact O-N 3.26Å; E236-K238 VanDerWaalsContact O-N 3.1Å; E236-K238 VanDerWaalsContact OE1-CE 3.24Å; E236-K238 WeakPolarHBondContact OE1-CE 3.07Å; K238-N241 PolarHBondContact O-OD1 2.97Å; K238-Y262 WeakPolarHBondContact CA-OH 3.3Å; K238-Y262 PolarHBondContact N-OH 3.15Å
239	E	97.4	Very high	98.2	Very high	170 Å²	170	37.1 Å²	37.1	79%	0.794	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-40.1	176.8	-174.1	178.4	177.6	0	0	110.5	D237	D237-E239 PolarHBondContact O-N 3.39Å; D237-E239 PolarHBondContact OD1-N 2.76Å
240	N	97.8	Very high	97.8	Very high	37 Å²	37	34.9 Å²	34.9	20%	0.198	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	0.5	-178.2	-63.6	-70.1	0	0	0	114.3	D237 L242 R269 L273	D237-N240 HydrophobicContact CB-CB 4.45Å; D237-N240 CarbonylContact O-C 3.52Å; D237-N240 PolarHBondContact O-N 3.05Å; D237-N240 PolarHBondContact OD1-N 3.11Å; D237-N240 PolarHBondContact OD1-ND2 3.01Å; D237-N240 PolarHBondContact OD2-ND2 2.94Å; N240-L242 HydrophobicContact CB-CD1 3.84Å; N240-L242 HydrophobicContact CB-CG 4Å; N240-L242 WeakPolarHBondContact O-CG 3.47Å; N240-R269 VanDerWaalsContact O-CZ 3.24Å; N240-R269 PolarHBondContact O-NH1 3.22Å; N240-R269 PolarHBondContact O-NH2 3.29Å; N240-L273 HydrophobicContact CB-CD1 3.87Å
241	N	98.2	Very high	97.4	Very high	75 Å²	75	41.8 Å²	41.8	40%	0.401	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	51.6	-175.6	-59.1	-51.9	0	0	0	113.6	D237 K238 Y262	D237-N241 WeakPolarHBondContact O-CA 3.42Å; D237-N241 PolarHBondContact O-N 2.65Å; K238-N241 PolarHBondContact O-OD1 2.97Å; N241-Y262 VanDerWaalsContact C-CD1 3.45Å; N241-Y262 HydrophobicContact CB-CD2 3.66Å; N241-Y262 HydrophobicContact CB-CE2 4.02Å; N241-Y262 HydrophobicContact CB-CG 4.02Å; N241-Y262 WeakPolarHBondContact O-CD1 3.5Å; N241-Y262 PolarHBondContact O-N 3.11Å
242	L	98.6	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141.5	-177.8	-51.2	170.2	0	0	0	112.1	D237 N240 I244 M260 P261 Y262 L270 L273 W282	D237-L242 HydrophobicContact CB-CB 4.17Å; D237-L242 PolarHBondContact N-O 3.38Å; D237-L242 PolarHBondContact O-N 3.4Å; D237-L242 VanDerWaalsContact O-N 3.11Å; N240-L242 HydrophobicContact CB-CD1 3.84Å; N240-L242 HydrophobicContact CB-CG 4Å; N240-L242 WeakPolarHBondContact O-CG 3.47Å; L242-I244 HydrophobicContact CB-CD1 4.09Å; L242-M260 CarbonylContact C-O 3.59Å; L242-M260 WeakPolarHBondContact CA-O 3.27Å; L242-P261 HydrophobicContact CD2-CB 4.42Å; L242-P261 HydrophobicContact CD2-CG 4.42Å; L242-Y262 VanDerWaalsContact N-CE1 3.32Å; L242-Y262 VanDerWaalsContact O-CE1 3.31Å; L242-Y262 WeakPolarHBondContact O-CE1 3.29Å; L242-L270 HydrophobicContact CD1-CD1 3.41Å; L242-L270 VanDerWaalsContact CD1-CD1 3.41Å; L242-L270 HydrophobicContact CD2-CB 4.4Å; L242-L270 HydrophobicContact CD2-CD1 3.66Å; L242-L270 HydrophobicContact CD2-CD2 4.23Å; L242-L270 HydrophobicContact CD2-CG 4.32Å; L242-L270 HydrophobicContact CG-CD1 4.15Å; L242-L273 HydrophobicContact CD1-CD1 4.03Å; L242-W282 HydrophobicContact CD1-CH2 4.05Å; L242-W282 HydrophobicContact CD1-CZ2 3.52Å
243	Y	98.7	Very high	96.7	Very high	55 Å²	55	48.8 Å²	48.8	22%	0.216	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	136.6	163.6	-62.2	-60	0	0	0	110.1	F234 E236 I259 M260 Y262 F371	F234-Y243 HydrophobicContact CE1-CD1 4.44Å; F234-Y243 AromaticContact CE2-CD1 3.98Å; F234-Y243 HydrophobicContact CE2-CD1 3.98Å; F234-Y243 HydrophobicContact CE2-CG 4.42Å; F234-Y243 AromaticContact CZ-CD1 3.46Å; F234-Y243 HydrophobicContact CZ-CD1 3.46Å; F234-Y243 VanDerWaalsContact CZ-CD1 3.46Å; F234-Y243 AromaticContact CZ-CE1 3.99Å; F234-Y243 HydrophobicContact CZ-CE1 3.99Å; F234-Y243 HydrophobicContact CZ-CG 4.32Å; E236-Y243 HydrophobicContact CB-CD1 4.41Å; E236-Y243 HydrophobicContact CB-CE1 4.49Å; E236-Y243 HydrophobicContact CG-CD1 4.12Å; E236-Y243 HydrophobicContact CG-CE1 3.81Å; Y243-I259 WeakPolarHBondContact O-CA 3.47Å; Y243-M260 HydrophobicContact CD2-CE 3.87Å; Y243-M260 PolarHBondContact N-O 3.28Å; Y243-M260 PolarHBondContact O-N 3.25Å; Y243-Y262 HydrophobicContact CD1-CD1 4.02Å; Y243-Y262 AromaticContact CD1-CE1 3.48Å; Y243-Y262 HydrophobicContact CD1-CE1 3.48Å; Y243-Y262 VanDerWaalsContact CD1-CE1 3.48Å; Y243-Y262 AromaticContact CD2-CD1 3.47Å; Y243-Y262 HydrophobicContact CD2-CD1 3.47Å; Y243-Y262 VanDerWaalsContact CD2-CD1 3.47Å; Y243-Y262 AromaticContact CD2-CE1 3.84Å; Y243-Y262 HydrophobicContact CD2-CE1 3.84Å; Y243-Y262 AromaticContact CE1-CD1 3.81Å; Y243-Y262 HydrophobicContact CE1-CD1 3.81Å; Y243-Y262 AromaticContact CE1-CE1 3.34Å; Y243-Y262 HydrophobicContact CE1-CE1 3.34Å; Y243-Y262 AromaticContact CE2-CD1 3.24Å; Y243-Y262 HydrophobicContact CE2-CD1 3.24Å; Y243-Y262 AromaticContact CE2-CE1 3.72Å; Y243-Y262 HydrophobicContact CE2-CE1 3.72Å; Y243-Y262 HydrophobicContact CE2-CG 4.03Å; Y243-Y262 AromaticContact CG-CD1 3.85Å; Y243-Y262 HydrophobicContact CG-CD1 3.85Å; Y243-Y262 AromaticContact CG-CE1 3.73Å; Y243-Y262 HydrophobicContact CG-CE1 3.73Å; Y243-Y262 AromaticContact CZ-CD1 3.41Å; Y243-Y262 VanDerWaalsContact CZ-CD1 3.41Å; Y243-Y262 AromaticContact CZ-CE1 3.45Å; Y243-Y262 VanDerWaalsContact CZ-CE1 3.45Å; Y243-F371 VanDerWaalsContact CB-CE2 3.48Å; Y243-F371 HydrophobicContact CG-CD2 4.39Å
244	I	98.8	Very high	96.5	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.9	172.1	-49.4	85.9	0	0	0	109.1	F234 Y235 D237 L242 I257 L258 I259 W282 M286	F234-I244 WeakPolarHBondContact CA-O 3.25Å; Y235-I244 HydrophobicContact CD1-CD1 3.68Å; Y235-I244 HydrophobicContact CE1-CD1 4.33Å; Y235-I244 PolarHBondContact N-O 3.26Å; Y235-I244 PolarHBondContact O-N 2.81Å; D237-I244 HydrophobicContact CB-CD1 4.08Å; L242-I244 HydrophobicContact CB-CD1 4.09Å; I244-I257 HydrophobicContact CG2-CG2 3.8Å; I244-L258 VanDerWaalsContact CA-O 3.32Å; I244-L258 WeakPolarHBondContact CA-O 3.43Å; I244-I259 HydrophobicContact CG1-CG1 4.41Å; I244-I259 HydrophobicContact CG1-CG2 4.1Å; I244-I259 HydrophobicContact CG2-CG1 4.02Å; I244-W282 HydrophobicContact CD1-CB 4.46Å; I244-W282 HydrophobicContact CD1-CD2 4.34Å; I244-W282 HydrophobicContact CD1-CG 4.07Å; I244-W282 HydrophobicContact CG1-CB 4.21Å; I244-W282 HydrophobicContact CG1-CD2 4.23Å; I244-W282 HydrophobicContact CG1-CG 4.12Å; I244-M286 HydrophobicContact CB-CE 3.88Å; I244-M286 HydrophobicContact CG2-CE 3.14Å
245	L	98.8	Very high	96.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133	-177.3	177.9	71.5	0	0	0	110.1	Y232 F234 M247 I257 L258 V291 I293 F371	Y232-L245 HydrophobicContact CG-CD1 4.09Å; F234-L245 HydrophobicContact CB-CD1 4.43Å; F234-L245 HydrophobicContact CD2-CD1 4.18Å; L245-M247 HydrophobicContact CD2-CG 3.78Å; L245-M247 HydrophobicContact CD2-SD 3.94Å; L245-M247 HydrophobicContact CG-CG 4Å; L245-I257 CarbonylContact O-C 3.49Å; L245-I257 VanDerWaalsContact O-CA 3.31Å; L245-I257 WeakPolarHBondContact O-CA 3.15Å; L245-L258 HydrophobicContact CB-CB 4.48Å; L245-L258 HydrophobicContact CD2-CD1 4.44Å; L245-L258 PolarHBondContact N-O 2.81Å; L245-L258 PolarHBondContact O-N 2.91Å; L245-V291 HydrophobicContact CD1-CG1 4.23Å; L245-V291 HydrophobicContact CD1-CG2 4.32Å; L245-I293 HydrophobicContact CD1-CD1 4.47Å; L245-I293 HydrophobicContact CD2-CD1 3.64Å; L245-I293 HydrophobicContact CD2-CG1 3.78Å; L245-I293 HydrophobicContact CD2-CG2 4.44Å; L245-F371 HydrophobicContact CB-CD1 4.27Å; L245-F371 HydrophobicContact CB-CD2 3.94Å; L245-F371 HydrophobicContact CB-CE1 4.03Å; L245-F371 HydrophobicContact CB-CE2 3.65Å; L245-F371 HydrophobicContact CB-CG 4.22Å; L245-F371 HydrophobicContact CB-CZ 3.71Å; L245-F371 HydrophobicContact CD2-CB 4.32Å; L245-F371 HydrophobicContact CD2-CD1 3.45Å; L245-F371 VanDerWaalsContact CD2-CD1 3.45Å; L245-F371 HydrophobicContact CD2-CD2 4.37Å; L245-F371 HydrophobicContact CD2-CE1 3.73Å; L245-F371 HydrophobicContact CD2-CG 3.8Å; L245-F371 HydrophobicContact CD2-CZ 4.29Å; L245-F371 HydrophobicContact CG-CD1 4.48Å
246	N	98.5	Very high	96.3	Very high	21 Å²	21	44.8 Å²	44.8	11%	0.112	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119.6	170.8	-175.5	45.3	0	0	0	110.4	D233 S255 M286	D233-N246 HydrophobicContact CB-CB 3.98Å; D233-N246 PolarHBondContact O-N 2.65Å; D233-N246 PolarHBondContact OD2-ND2 2.98Å; N246-S255 WeakPolarHBondContact OD1-CB 3.43Å; N246-S255 PolarHBondContact OD1-OG 3.09Å; N246-M286 HydrophobicContact CB-CE 4.25Å; N246-M286 HydrophobicContact CB-SD 3.66Å
247	M	98.1	Very high	96.3	Very high	2 Å²	2	43 Å²	43	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	108.9	176.8	-66.4	-174.3	69.8	0	0	110.4	W199 F203 Y232 L245 S255 M256 L258 I293 L295	W199-M247 HydrophobicContact CD2-CE 4.22Å; W199-M247 HydrophobicContact CE3-CB 4.25Å; W199-M247 HydrophobicContact CE3-CE 3.74Å; W199-M247 HydrophobicContact CH2-CE 4.08Å; W199-M247 HydrophobicContact CH2-SD 4.38Å; W199-M247 HydrophobicContact CZ3-CB 3.92Å; W199-M247 HydrophobicContact CZ3-CE 3.66Å; W199-M247 HydrophobicContact CZ3-SD 4.06Å; F203-M247 HydrophobicContact CE2-CE 3.77Å; F203-M247 HydrophobicContact CZ-CE 3.69Å; Y232-M247 HydrophobicContact CD1-CG 4.25Å; Y232-M247 HydrophobicContact CE1-CE 4.39Å; Y232-M247 HydrophobicContact CE1-CG 4.19Å; L245-M247 HydrophobicContact CD2-CG 3.78Å; L245-M247 HydrophobicContact CD2-SD 3.94Å; L245-M247 HydrophobicContact CG-CG 4Å; M247-S255 CarbonylContact O-C 3.59Å; M247-S255 WeakPolarHBondContact O-CA 3.3Å; M247-M256 PolarHBondContact N-O 2.81Å; M247-M256 PolarHBondContact O-N 2.73Å; M247-L258 HydrophobicContact SD-CD1 3.9Å; M247-I293 HydrophobicContact CE-CD1 3.99Å; M247-I293 HydrophobicContact CG-CD1 4.32Å; M247-I293 HydrophobicContact SD-CD1 4.1Å; M247-L295 HydrophobicContact SD-CD2 4.39Å
248	P	97.4	Very high	96.3	Very high	29 Å²	29	42.8 Å²	42.8	19%	0.188	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	145.1	179.9	-20.7	33	0	0	0	112.9	D200 K252	D200-P248 HydrophobicContact CB-CB 3.74Å; D200-P248 WeakPolarHBondContact CB-O 3.3Å; D200-P248 PolarHBondContact N-O 2.93Å; P248-K252 HydrophobicContact CB-CG 4.07Å
249	L	95.8	Very high	96.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	152	-178.9	-57.4	-178.4	0	0	0	111.9	F195 P197 H198 W199 K251 K252 Q253 A254 M256 V381	F195-L249 HydrophobicContact CZ-CD1 4.16Å; P197-L249 HydrophobicContact CB-CD1 3.95Å; P197-L249 HydrophobicContact CB-CD2 3.68Å; P197-L249 HydrophobicContact CB-CG 4.47Å; H198-L249 CarbonylContact O-C 3.41Å; H198-L249 VanDerWaalsContact O-CA 3.3Å; H198-L249 WeakPolarHBondContact O-CA 2.83Å; W199-L249 HydrophobicContact CD2-CD2 4.23Å; W199-L249 HydrophobicContact CE3-CD2 3.34Å; W199-L249 HydrophobicContact CZ3-CD2 3.53Å; L249-K251 PolarHBondContact O-N 3.19Å; L249-K251 VanDerWaalsContact O-N 3.12Å; L249-K252 WeakPolarHBondContact O-CA 3.22Å; L249-K252 PolarHBondContact O-N 3.37Å; L249-Q253 PolarHBondContact O-N 2.77Å; L249-A254 HydrophobicContact CB-CB 4.28Å; L249-A254 HydrophobicContact CD1-CB 4.42Å; L249-A254 PolarHBondContact N-O 3.13Å; L249-M256 HydrophobicContact CD1-CB 4.27Å; L249-M256 HydrophobicContact CD2-CB 4.47Å; L249-M256 HydrophobicContact CG-CB 4.48Å; L249-V381 HydrophobicContact CD1-CG1 4.05Å
250	G	90	Very high	96.4	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	-111.7	174.8	0	0	0	0	0	109.5	H198 N353	H198-G250 PolarHBondContact O-N 3.06Å; G250-N353 PolarHBondContact O-ND2 3.35Å
251	K	90.2	Very high	96.5	Very high	147 Å²	147	26.2 Å²	26.2	64%	0.639	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.6	57.4	171.3	-67.5	178.8	179.3	177.3	0	109.1	D200 L249 Q253	D200-K251 WeakPolarHBondContact OD1-CA 3.48Å; L249-K251 PolarHBondContact O-N 3.19Å; L249-K251 VanDerWaalsContact O-N 3.12Å; K251-Q253 PolarHBondContact O-N 3.21Å; K251-Q253 VanDerWaalsContact O-N 3.13Å; K251-Q253 PolarHBondContact O-NE2 3.42Å
252	K	92.9	Very high	96.4	Very high	130 Å²	130	24.5 Å²	24.5	57%	0.565	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	26	-168.2	-49.9	-176.5	180	-179.4	0	114	D200 P248 L249 N384	D200-K252 HydrophobicContact CB-CG 4.48Å; D200-K252 PolarHBondContact OD1-N 2.92Å; D200-K252 VanDerWaalsContact OD1-N 3.17Å; D200-K252 WeakPolarHBondContact OD2-CE 3.49Å; D200-K252 WeakPolarHBondContact OD2-CG 3.3Å; P248-K252 HydrophobicContact CB-CG 4.07Å; L249-K252 WeakPolarHBondContact O-CA 3.22Å; L249-K252 PolarHBondContact O-N 3.37Å; K252-N384 PolarHBondContact O-ND2 3.11Å
253	Q	89.7	Confident	96.4	Very high	70 Å²	70	31 Å²	31	33%	0.327	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-30.2	179.3	-65.7	-60.8	-46.3	0	0	111.7	L249 K251 N384	L249-Q253 PolarHBondContact O-N 2.77Å; K251-Q253 PolarHBondContact O-N 3.21Å; K251-Q253 VanDerWaalsContact O-N 3.13Å; K251-Q253 PolarHBondContact O-NE2 3.42Å; Q253-N384 PolarHBondContact O-N 2.58Å
254	A	92.9	Very high	96.3	Very high	7 Å²	7	30 Å²	30	6%	0.058	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	170.5	172.9	0	0	0	0	0	109.2	L249 K382 N384 L390	L249-A254 HydrophobicContact CB-CB 4.28Å; L249-A254 HydrophobicContact CD1-CB 4.42Å; L249-A254 PolarHBondContact N-O 3.13Å; A254-K382 CarbonylContact C-O 3.54Å; A254-K382 WeakPolarHBondContact CA-O 3.49Å; A254-K382 VanDerWaalsContact CB-O 3.24Å; A254-K382 WeakPolarHBondContact CB-O 3.2Å; A254-N384 VanDerWaalsContact C-ND2 3.34Å; A254-N384 PolarHBondContact O-ND2 2.78Å; A254-L390 HydrophobicContact CB-CD1 4.36Å
255	S	95.8	Very high	96.2	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	145.9	171.8	-46	0	0	0	0	110.9	N246 M247 V381 K382 N384	N246-S255 WeakPolarHBondContact OD1-CB 3.43Å; N246-S255 PolarHBondContact OD1-OG 3.09Å; M247-S255 CarbonylContact O-C 3.59Å; M247-S255 WeakPolarHBondContact O-CA 3.3Å; S255-V381 CarbonylContact O-C 3.52Å; S255-V381 WeakPolarHBondContact O-CA 3.21Å; S255-K382 PolarHBondContact N-O 2.92Å; S255-K382 PolarHBondContact O-N 3.16Å; S255-N384 VanDerWaalsContact OG-CG 3.27Å; S255-N384 PolarHBondContact OG-ND2 2.77Å; S255-N384 PolarHBondContact OG-OD1 2.93Å
256	M	97.9	Very high	96.1	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.8	165.9	179.3	168.6	-100.6	0	0	108.7	W199 M247 L249 L258 L348 F379 L380 V381	W199-M256 HydrophobicContact CH2-SD 3.85Å; W199-M256 HydrophobicContact CZ3-CB 4.29Å; W199-M256 HydrophobicContact CZ3-SD 4.25Å; M247-M256 PolarHBondContact N-O 2.81Å; M247-M256 PolarHBondContact O-N 2.73Å; L249-M256 HydrophobicContact CD1-CB 4.27Å; L249-M256 HydrophobicContact CD2-CB 4.47Å; L249-M256 HydrophobicContact CG-CB 4.48Å; M256-L258 HydrophobicContact CG-CD2 3.78Å; M256-L258 HydrophobicContact CG-CG 4.32Å; M256-L258 HydrophobicContact SD-CD2 3.98Å; M256-L348 HydrophobicContact CE-CD2 4.01Å; M256-L348 HydrophobicContact SD-CD2 4.09Å; M256-F379 HydrophobicContact CE-CD2 3.83Å; M256-F379 HydrophobicContact CE-CE2 4.38Å; M256-F379 HydrophobicContact CE-CG 4.34Å; M256-L380 CarbonylContact C-O 3.58Å; M256-L380 WeakPolarHBondContact CA-O 3.27Å; M256-V381 HydrophobicContact CE-CG2 3.81Å
257	I	98.6	Very high	96.1	Very high	3 Å²	3	37 Å²	37	2%	0.015	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124	175.6	-60.1	163.8	0	0	0	107.4	I244 L245 I259 V283 M286 F379 L380 K382	I244-I257 HydrophobicContact CG2-CG2 3.8Å; L245-I257 CarbonylContact O-C 3.49Å; L245-I257 VanDerWaalsContact O-CA 3.31Å; L245-I257 WeakPolarHBondContact O-CA 3.15Å; I257-I259 HydrophobicContact CG2-CG1 4.26Å; I257-V283 HydrophobicContact CD1-CG2 3.75Å; I257-M286 HydrophobicContact CG2-CE 4.27Å; I257-F379 CarbonylContact O-C 3.58Å; I257-F379 WeakPolarHBondContact O-CA 3.47Å; I257-L380 HydrophobicContact CB-CB 4.44Å; I257-L380 PolarHBondContact N-O 2.92Å; I257-L380 PolarHBondContact O-N 3.45Å; I257-K382 HydrophobicContact CD1-CB 4.41Å; I257-K382 HydrophobicContact CD1-CD 4.13Å
258	L	98.8	Very high	96	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.6	176.4	-56.9	-179.8	0	0	0	109.2	I244 L245 M247 M256 L295 F371 F377 F379	I244-L258 VanDerWaalsContact CA-O 3.32Å; I244-L258 WeakPolarHBondContact CA-O 3.43Å; L245-L258 HydrophobicContact CB-CB 4.48Å; L245-L258 HydrophobicContact CD2-CD1 4.44Å; L245-L258 PolarHBondContact N-O 2.81Å; L245-L258 PolarHBondContact O-N 2.91Å; M247-L258 HydrophobicContact SD-CD1 3.9Å; M256-L258 HydrophobicContact CG-CD2 3.78Å; M256-L258 HydrophobicContact CG-CG 4.32Å; M256-L258 HydrophobicContact SD-CD2 3.98Å; L258-L295 HydrophobicContact CD1-CD1 3.58Å; L258-L295 HydrophobicContact CD1-CD2 4.41Å; L258-F371 HydrophobicContact CB-CE1 3.81Å; L258-F371 HydrophobicContact CB-CZ 3.61Å; L258-F371 HydrophobicContact CD1-CE1 3.76Å; L258-F371 HydrophobicContact CD1-CZ 4.44Å; L258-F371 HydrophobicContact CG-CE1 4.45Å; L258-F377 HydrophobicContact CD2-CD2 4.12Å; L258-F377 HydrophobicContact CD2-CE2 3.95Å; L258-F379 HydrophobicContact CD2-CB 3.65Å
259	I	98.8	Very high	96.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	118.8	180	-50.8	162.7	0	0	0	107.4	Y243 I244 I257 L270 L274 V279 W282 I378 L380	Y243-I259 WeakPolarHBondContact O-CA 3.47Å; I244-I259 HydrophobicContact CG1-CG1 4.41Å; I244-I259 HydrophobicContact CG1-CG2 4.1Å; I244-I259 HydrophobicContact CG2-CG1 4.02Å; I257-I259 HydrophobicContact CG2-CG1 4.26Å; I259-L270 HydrophobicContact CB-CD2 4.45Å; I259-L270 HydrophobicContact CG2-CD1 3.78Å; I259-L270 HydrophobicContact CG2-CD2 3.78Å; I259-L270 HydrophobicContact CG2-CG 4.33Å; I259-L274 HydrophobicContact CD1-CD1 3.85Å; I259-V279 HydrophobicContact CD1-CG2 4.35Å; I259-W282 HydrophobicContact CD1-CE3 4.12Å; I259-W282 HydrophobicContact CD1-CZ3 3.93Å; I259-W282 HydrophobicContact CG2-CZ3 4.23Å; I259-I378 HydrophobicContact CB-CB 4.33Å; I259-I378 HydrophobicContact CD1-CG2 4.41Å; I259-I378 PolarHBondContact N-O 3Å; I259-I378 PolarHBondContact O-N 2.91Å; I259-L380 HydrophobicContact CD1-CD1 3.54Å; I259-L380 HydrophobicContact CG1-CD1 4.44Å
260	M	98.6	Very high	96.2	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.02	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	134.8	-171.3	-170.1	-177.4	73	0	0	110.6	L242 Y243 F371 Y372 V373 H375 F377	L242-M260 CarbonylContact C-O 3.59Å; L242-M260 WeakPolarHBondContact CA-O 3.27Å; Y243-M260 HydrophobicContact CD2-CE 3.87Å; Y243-M260 PolarHBondContact N-O 3.28Å; Y243-M260 PolarHBondContact O-N 3.25Å; M260-F371 HydrophobicContact CB-CE2 4.42Å; M260-F371 HydrophobicContact CB-CZ 4.2Å; M260-Y372 WeakPolarHBondContact CE-O 3.46Å; M260-V373 HydrophobicContact SD-CB 4.19Å; M260-V373 HydrophobicContact SD-CG1 4.16Å; M260-V373 HydrophobicContact SD-CG2 4.08Å; M260-H375 WeakPolarHBondContact CG-NE2 3.39Å; M260-H375 VanDerWaalsContact SD-CE1 3.58Å; M260-F377 HydrophobicContact CB-CB 4.16Å; M260-F377 HydrophobicContact CG-CB 4.13Å
261	P	98.5	Very high	96.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	160.5	168.1	-23.3	35.8	0	0	0	113	L242 H263 E265 L267 L270 H375	L242-P261 HydrophobicContact CD2-CB 4.42Å; L242-P261 HydrophobicContact CD2-CG 4.42Å; P261-H263 VanDerWaalsContact C-N 3.3Å; P261-H263 WeakPolarHBondContact CB-O 3.37Å; P261-E265 HydrophobicContact CB-CG 3.94Å; P261-E265 HydrophobicContact CG-CG 3.97Å; P261-L267 HydrophobicContact CG-CD2 4.23Å; P261-L270 HydrophobicContact CG-CD2 4.27Å; P261-H375 PolarHBondContact O-NE2 2.91Å
262	Y	97.9	Very high	97	Very high	39 Å²	39	45.4 Å²	45.4	15%	0.153	22%	0.215	C	C	.	.	S	Bend	trans	-71	-30.2	171.4	-69.1	-5.2	0	0	0	113.1	E236 D237 K238 N241 L242 Y243	E236-Y262 HydrophobicContact CG-CE1 4.18Å; E236-Y262 WeakPolarHBondContact CG-OH 3.33Å; D237-Y262 VanDerWaalsContact C-OH 3.3Å; D237-Y262 PolarHBondContact O-OH 3.38Å; K238-Y262 WeakPolarHBondContact CA-OH 3.3Å; K238-Y262 PolarHBondContact N-OH 3.15Å; N241-Y262 VanDerWaalsContact C-CD1 3.45Å; N241-Y262 HydrophobicContact CB-CD2 3.66Å; N241-Y262 HydrophobicContact CB-CE2 4.02Å; N241-Y262 HydrophobicContact CB-CG 4.02Å; N241-Y262 WeakPolarHBondContact O-CD1 3.5Å; N241-Y262 PolarHBondContact O-N 3.11Å; L242-Y262 VanDerWaalsContact N-CE1 3.32Å; L242-Y262 VanDerWaalsContact O-CE1 3.31Å; L242-Y262 WeakPolarHBondContact O-CE1 3.29Å; Y243-Y262 HydrophobicContact CD1-CD1 4.02Å; Y243-Y262 AromaticContact CD1-CE1 3.48Å; Y243-Y262 HydrophobicContact CD1-CE1 3.48Å; Y243-Y262 VanDerWaalsContact CD1-CE1 3.48Å; Y243-Y262 AromaticContact CD2-CD1 3.47Å; Y243-Y262 HydrophobicContact CD2-CD1 3.47Å; Y243-Y262 VanDerWaalsContact CD2-CD1 3.47Å; Y243-Y262 AromaticContact CD2-CE1 3.84Å; Y243-Y262 HydrophobicContact CD2-CE1 3.84Å; Y243-Y262 AromaticContact CE1-CD1 3.81Å; Y243-Y262 HydrophobicContact CE1-CD1 3.81Å; Y243-Y262 AromaticContact CE1-CE1 3.34Å; Y243-Y262 HydrophobicContact CE1-CE1 3.34Å; Y243-Y262 AromaticContact CE2-CD1 3.24Å; Y243-Y262 HydrophobicContact CE2-CD1 3.24Å; Y243-Y262 AromaticContact CE2-CE1 3.72Å; Y243-Y262 HydrophobicContact CE2-CE1 3.72Å; Y243-Y262 HydrophobicContact CE2-CG 4.03Å; Y243-Y262 AromaticContact CG-CD1 3.85Å; Y243-Y262 HydrophobicContact CG-CD1 3.85Å; Y243-Y262 AromaticContact CG-CE1 3.73Å; Y243-Y262 HydrophobicContact CG-CE1 3.73Å; Y243-Y262 AromaticContact CZ-CD1 3.41Å; Y243-Y262 VanDerWaalsContact CZ-CD1 3.41Å; Y243-Y262 AromaticContact CZ-CE1 3.45Å; Y243-Y262 VanDerWaalsContact CZ-CE1 3.45Å
263	H	96.8	Very high	97.2	Very high	137 Å²	137	41.4 Å²	41.4	63%	0.634	20%	0.199	S	C	*	.	S	Bend	trans	-126.9	151.5	-172.9	-57.2	-49.1	0	0	0	109.3	P261 E265	P261-H263 VanDerWaalsContact C-N 3.3Å; P261-H263 WeakPolarHBondContact CB-O 3.37Å; H263-E265 PolarHBondContact O-N 3.17Å
264	L	97.6	Very high	97.6	Very high	33 Å²	33	38.1 Å²	38.1	17%	0.173	18%	0.184	C	C	.	.			trans	-57	110.5	170.6	175.4	61.8	0	0	0	111.2	L214 R217 H375	L214-L264 HydrophobicContact CB-CD1 4.18Å; L214-L264 HydrophobicContact CB-CD2 3.72Å; L214-L264 HydrophobicContact CD1-CD2 4.25Å; L214-L264 WeakPolarHBondContact O-CD1 3.46Å; R217-L264 HydrophobicContact CB-CD2 4.44Å; R217-L264 HydrophobicContact CG-CD2 3.86Å; R217-L264 HydrophobicContact CG-CG 4.49Å; L264-H375 HydrophobicContact CB-CB 4.44Å; L264-H375 HydrophobicContact CD1-CB 3.75Å
265	E	96.7	Very high	97.8	Very high	54 Å²	54	40.9 Å²	40.9	25%	0.252	20%	0.2	S	C	.	.			trans	-146.9	157.3	174	65.7	178.8	176.5	0	0	110.7	P261 H263 R269	P261-E265 HydrophobicContact CB-CG 3.94Å; P261-E265 HydrophobicContact CG-CG 3.97Å; H263-E265 PolarHBondContact O-N 3.17Å; E265-R269 IonicContact OE1-CZ 2.74Å; E265-R269 IonicContact OE1-NE 3.57Å; E265-R269 PolarHBondContact OE1-NE 2.95Å; E265-R269 IonicContact OE1-NH2 3.39Å; E265-R269 PolarHBondContact OE1-NH2 2.73Å; E265-R269 IonicContact OE2-NE 3.55Å; E265-R269 PolarHBondContact OE2-NE 3.26Å
266	P	96.2	Very high	97.7	Very high	107 Å²	107	43 Å²	43	70%	0.695	21%	0.209	S	C	*	.			trans	-57.6	141.7	165.7	-21.9	33.7	0	0	0	111	E268	P266-E268 PolarHBondContact O-N 2.7Å
267	L	98.3	Very high	97.5	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.042	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.6	-175.8	-69.4	174.8	0	0	0	114.3	P261 R269 L270 E271 P376 I378 R394 V396	P261-L267 HydrophobicContact CG-CD2 4.23Å; L267-R269 PolarHBondContact O-N 3.09Å; L267-R269 VanDerWaalsContact O-N 3.09Å; L267-L270 HydrophobicContact CD2-CD2 4.08Å; L267-L270 CarbonylContact O-C 3.54Å; L267-L270 WeakPolarHBondContact O-CA 3.27Å; L267-L270 WeakPolarHBondContact O-CB 3.29Å; L267-L270 PolarHBondContact O-N 2.76Å; L267-E271 HydrophobicContact CB-CG 4.21Å; L267-E271 VanDerWaalsContact O-CG 3.26Å; L267-E271 WeakPolarHBondContact O-CG 3.36Å; L267-E271 PolarHBondContact O-N 2.94Å; L267-P376 HydrophobicContact CD1-CB 3.9Å; L267-P376 HydrophobicContact CD2-CB 4.18Å; L267-P376 HydrophobicContact CG-CB 3.86Å; L267-I378 HydrophobicContact CD1-CG1 4.05Å; L267-I378 HydrophobicContact CD2-CG1 4.26Å; L267-R394 HydrophobicContact CD1-CB 3.8Å; L267-R394 HydrophobicContact CD1-CG 4.28Å; L267-V396 HydrophobicContact CD1-CG2 3.97Å
268	E	97.4	Very high	97.5	Very high	115 Å²	115	53.2 Å²	53.2	54%	0.537	25%	0.254	S	S	.	.	H	α-helix	trans	-51.2	-40.4	-174.5	-166.3	-163.2	141.2	0	0	113.4	P266 E271 K272	P266-E268 PolarHBondContact O-N 2.7Å; E268-E271 PolarHBondContact O-N 3.22Å; E268-K272 WeakPolarHBondContact O-CG 3.44Å; E268-K272 PolarHBondContact O-N 2.67Å; E268-K272 VanDerWaalsContact O-N 3.16Å; E268-K272 WeakPolarHBondContact OE1-CE 3.41Å; E268-K272 IonicContact OE1-NZ 2.76Å; E268-K272 PolarHBondContact OE1-NZ 3.45Å
269	R	97.8	Very high	97.4	Very high	81 Å²	81	53.6 Å²	53.6	31%	0.306	26%	0.256	S	S	.	.	H	α-helix	trans	-66.2	-46.3	178.2	-173.7	-169.8	67.6	82	-1.3	111.5	N240 E265 L267 E271 K272	N240-R269 VanDerWaalsContact O-CZ 3.24Å; N240-R269 PolarHBondContact O-NH1 3.22Å; N240-R269 PolarHBondContact O-NH2 3.29Å; E265-R269 IonicContact OE1-CZ 2.74Å; E265-R269 IonicContact OE1-NE 3.57Å; E265-R269 PolarHBondContact OE1-NE 2.95Å; E265-R269 IonicContact OE1-NH2 3.39Å; E265-R269 PolarHBondContact OE1-NH2 2.73Å; E265-R269 IonicContact OE2-NE 3.55Å; E265-R269 PolarHBondContact OE2-NE 3.26Å; L267-R269 PolarHBondContact O-N 3.09Å; L267-R269 VanDerWaalsContact O-N 3.09Å; R269-E271 VanDerWaalsContact C-N 3.3Å; R269-K272 PolarHBondContact O-N 3.34Å
270	L	98.4	Very high	97.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-39.2	176.3	174.6	53	0	0	0	111.1	L242 I259 P261 L267 K272 L273 L274 W282 I378	L242-L270 HydrophobicContact CD1-CD1 3.41Å; L242-L270 VanDerWaalsContact CD1-CD1 3.41Å; L242-L270 HydrophobicContact CD2-CB 4.4Å; L242-L270 HydrophobicContact CD2-CD1 3.66Å; L242-L270 HydrophobicContact CD2-CD2 4.23Å; L242-L270 HydrophobicContact CD2-CG 4.32Å; L242-L270 HydrophobicContact CG-CD1 4.15Å; I259-L270 HydrophobicContact CB-CD2 4.45Å; I259-L270 HydrophobicContact CG2-CD1 3.78Å; I259-L270 HydrophobicContact CG2-CD2 3.78Å; I259-L270 HydrophobicContact CG2-CG 4.33Å; P261-L270 HydrophobicContact CG-CD2 4.27Å; L267-L270 HydrophobicContact CD2-CD2 4.08Å; L267-L270 CarbonylContact O-C 3.54Å; L267-L270 WeakPolarHBondContact O-CA 3.27Å; L267-L270 WeakPolarHBondContact O-CB 3.29Å; L267-L270 PolarHBondContact O-N 2.76Å; L270-K272 VanDerWaalsContact C-N 3.29Å; L270-K272 PolarHBondContact O-N 3.05Å; L270-L273 WeakPolarHBondContact O-CA 3.31Å; L270-L273 WeakPolarHBondContact O-CB 3.16Å; L270-L273 PolarHBondContact O-N 2.84Å; L270-L274 PolarHBondContact O-N 3.14Å; L270-L274 VanDerWaalsContact O-N 3.1Å; L270-W282 HydrophobicContact CD1-CH2 3.92Å; L270-I378 HydrophobicContact CD2-CD1 3.78Å; L270-I378 HydrophobicContact CD2-CG1 4.1Å; L270-I378 HydrophobicContact CG-CD1 3.76Å
271	E	98.4	Very high	97.1	Very high	12 Å²	12	58.1 Å²	58.1	6%	0.056	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-35.3	178.9	-68	175	148.8	0	0	111.7	Y44 H45 L267 E268 R269 L273 L274 I378 R394	Y44-E271 HydrophobicContact CE1-CG 3.83Å; Y44-E271 WeakPolarHBondContact CE1-OE1 3.41Å; Y44-E271 PolarHBondContact OH-OE1 3.42Å; H45-E271 PolarHBondContact CE1-O 3.43Å; L267-E271 HydrophobicContact CB-CG 4.21Å; L267-E271 VanDerWaalsContact O-CG 3.26Å; L267-E271 WeakPolarHBondContact O-CG 3.36Å; L267-E271 PolarHBondContact O-N 2.94Å; E268-E271 PolarHBondContact O-N 3.22Å; R269-E271 VanDerWaalsContact C-N 3.3Å; E271-L273 PolarHBondContact O-N 2.62Å; E271-L274 WeakPolarHBondContact O-CB 3.27Å; E271-L274 PolarHBondContact O-N 2.83Å; E271-I378 HydrophobicContact CG-CD1 3.88Å; E271-R394 VanDerWaalsContact CD-NH1 3.32Å; E271-R394 WeakPolarHBondContact OE1-CD 3.41Å; E271-R394 IonicContact OE1-CZ 2.61Å; E271-R394 IonicContact OE1-NE 2.77Å; E271-R394 IonicContact OE1-NH1 2.81Å; E271-R394 PolarHBondContact OE1-NH1 3.23Å; E271-R394 IonicContact OE2-NH1 3.98Å; E271-R394 PolarHBondContact OE2-NH1 3.44Å
272	K	98	Very high	97.1	Very high	148 Å²	148	58.2 Å²	58.2	64%	0.643	28%	0.283	S	S	*	.	H	α-helix	trans	-60.7	-27	172.4	-70.6	168.3	-172.6	165.7	0	113.5	E268 R269 L270	E268-K272 WeakPolarHBondContact O-CG 3.44Å; E268-K272 PolarHBondContact O-N 2.67Å; E268-K272 VanDerWaalsContact O-N 3.16Å; E268-K272 WeakPolarHBondContact OE1-CE 3.41Å; E268-K272 IonicContact OE1-NZ 2.76Å; E268-K272 PolarHBondContact OE1-NZ 3.45Å; R269-K272 PolarHBondContact O-N 3.34Å; L270-K272 VanDerWaalsContact C-N 3.29Å; L270-K272 PolarHBondContact O-N 3.05Å
273	L	98.1	Very high	97	Very high	47 Å²	47	58.4 Å²	58.4	25%	0.246	29%	0.288	C	S	.	.	H	α-helix	trans	-87.1	-19.3	175.7	-57.5	173.8	0	0	0	112.4	N240 L242 L270 E271 T275 Q278 W282	N240-L273 HydrophobicContact CB-CD1 3.87Å; L242-L273 HydrophobicContact CD1-CD1 4.03Å; L270-L273 WeakPolarHBondContact O-CA 3.31Å; L270-L273 WeakPolarHBondContact O-CB 3.16Å; L270-L273 PolarHBondContact O-N 2.84Å; E271-L273 PolarHBondContact O-N 2.62Å; L273-T275 PolarHBondContact O-N 2.88Å; L273-Q278 WeakPolarHBondContact O-CB 3.44Å; L273-Q278 VanDerWaalsContact O-CG 3.29Å; L273-Q278 WeakPolarHBondContact O-CG 3.42Å; L273-W282 HydrophobicContact CB-CH2 3.95Å; L273-W282 HydrophobicContact CB-CZ2 4.1Å
274	L	98.1	Very high	97	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.289	C	S	.	.			trans	-75.1	85.1	-171.2	-172.6	72.8	0	0	0	111.8	F41 Y44 H45 I259 L270 E271 V279 W282 I378 I392	F41-L274 HydrophobicContact CD1-CG 4.21Å; F41-L274 HydrophobicContact CE1-CD1 4.19Å; F41-L274 HydrophobicContact CE1-CD2 4.5Å; F41-L274 HydrophobicContact CE1-CG 3.91Å; Y44-L274 HydrophobicContact CD1-CD2 3.9Å; Y44-L274 HydrophobicContact CE1-CD2 3.61Å; H45-L274 PolarHBondContact CE1-O 3.07Å; H45-L274 VanDerWaalsContact CE1-O 3.3Å; H45-L274 PolarHBondContact NE2-O 3.23Å; I259-L274 HydrophobicContact CD1-CD1 3.85Å; L270-L274 PolarHBondContact O-N 3.14Å; L270-L274 VanDerWaalsContact O-N 3.1Å; E271-L274 WeakPolarHBondContact O-CB 3.27Å; E271-L274 PolarHBondContact O-N 2.83Å; L274-V279 HydrophobicContact CD1-CG2 3.82Å; L274-W282 HydrophobicContact CD1-CZ3 4.35Å; L274-I378 HydrophobicContact CD1-CG2 4.23Å; L274-I378 HydrophobicContact CD2-CD1 3.94Å; L274-I378 HydrophobicContact CD2-CG2 4Å; L274-I392 HydrophobicContact CD2-CD1 4.24Å
275	T	96.6	Very high	97	Very high	65 Å²	65	59.3 Å²	59.3	40%	0.399	30%	0.301	S	S	.	.			trans	-119.3	155.7	170.1	68.3	0	0	0	0	109.9	L273 K277 Q278 V279	L273-T275 PolarHBondContact O-N 2.88Å; T275-K277 PolarHBondContact O-N 2.86Å; T275-Q278 PolarHBondContact O-N 2.95Å; T275-Q278 VanDerWaalsContact OG1-CB 3.28Å; T275-Q278 WeakPolarHBondContact OG1-CB 3.22Å; T275-Q278 PolarHBondContact OG1-N 3.4Å; T275-Q278 VanDerWaalsContact OG1-N 3.1Å; T275-V279 WeakPolarHBondContact O-CG2 3.47Å; T275-V279 PolarHBondContact O-N 3.42Å
276	K	93.1	Very high	97.1	Very high	48 Å²	48	58 Å²	58	21%	0.209	30%	0.295	C	S	.	.	H	α-helix	trans	-50.9	-47.1	174.8	-175.2	-177.8	179.9	-63	0	111.7	D34 N38 F41 Q278 V279 D280	D34-K276 IonicContact OD1-NZ 3.26Å; N38-K276 WeakPolarHBondContact OD1-CD 3.36Å; F41-K276 HydrophobicContact CD2-CB 3.98Å; F41-K276 HydrophobicContact CE2-CB 3.62Å; F41-K276 HydrophobicContact CE2-CG 4.11Å; F41-K276 HydrophobicContact CZ-CB 4.19Å; K276-Q278 VanDerWaalsContact C-N 3.34Å; K276-Q278 PolarHBondContact O-N 3.33Å; K276-V279 PolarHBondContact O-N 2.81Å; K276-D280 IonicContact NZ-OD2 3.76Å; K276-D280 PolarHBondContact NZ-OD2 2.95Å; K276-D280 PolarHBondContact O-N 2.79Å
277	K	95.4	Very high	97.2	Very high	167 Å²	167	59.2 Å²	59.2	73%	0.726	29%	0.291	S	S	*	.	H	α-helix	trans	-61.1	-41.2	178.7	-176.5	-179.3	177.2	-175.7	0	112.4	T275 D280 T281	T275-K277 PolarHBondContact O-N 2.86Å; K277-D280 PolarHBondContact O-N 2.86Å; K277-T281 WeakPolarHBondContact O-CB 3.46Å; K277-T281 PolarHBondContact O-N 2.88Å; K277-T281 PolarHBondContact O-OG1 2.97Å
278	Q	97.4	Very high	97.1	Very high	52 Å²	52	63.4 Å²	63.4	24%	0.243	31%	0.314	C	S	.	.	H	α-helix	trans	-69.3	-40.1	178.6	-173.1	59.5	41.6	0	0	111.5	L273 T275 K276 T281 W282	L273-Q278 WeakPolarHBondContact O-CB 3.44Å; L273-Q278 VanDerWaalsContact O-CG 3.29Å; L273-Q278 WeakPolarHBondContact O-CG 3.42Å; T275-Q278 PolarHBondContact O-N 2.95Å; T275-Q278 VanDerWaalsContact OG1-CB 3.28Å; T275-Q278 WeakPolarHBondContact OG1-CB 3.22Å; T275-Q278 PolarHBondContact OG1-N 3.4Å; T275-Q278 VanDerWaalsContact OG1-N 3.1Å; K276-Q278 VanDerWaalsContact C-N 3.34Å; K276-Q278 PolarHBondContact O-N 3.33Å; Q278-T281 WeakPolarHBondContact O-CB 3.36Å; Q278-T281 PolarHBondContact O-N 2.83Å; Q278-T281 VanDerWaalsContact O-N 3.16Å; Q278-W282 HydrophobicContact CG-CD2 3.92Å; Q278-W282 HydrophobicContact CG-CE3 4.11Å; Q278-W282 HydrophobicContact CG-CH2 3.65Å; Q278-W282 HydrophobicContact CG-CZ2 3.46Å; Q278-W282 VanDerWaalsContact CG-CZ2 3.46Å; Q278-W282 HydrophobicContact CG-CZ3 3.97Å; Q278-W282 VanDerWaalsContact NE2-CE2 3.33Å; Q278-W282 PolarHBondContact O-N 3.05Å
279	V	96.4	Very high	97.1	Very high	8 Å²	8	62.4 Å²	62.4	5%	0.048	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-46.9	172.9	174	0	0	0	0	110.7	F41 I259 L274 T275 K276 T281 W282 V283 L380	F41-V279 HydrophobicContact CE1-CG2 4.22Å; F41-V279 HydrophobicContact CZ-CG2 4.11Å; I259-V279 HydrophobicContact CD1-CG2 4.35Å; L274-V279 HydrophobicContact CD1-CG2 3.82Å; T275-V279 WeakPolarHBondContact O-CG2 3.47Å; T275-V279 PolarHBondContact O-N 3.42Å; K276-V279 PolarHBondContact O-N 2.81Å; V279-T281 PolarHBondContact O-N 2.87Å; V279-W282 HydrophobicContact CG2-CE3 4.22Å; V279-W282 HydrophobicContact CG2-CZ3 4.24Å; V279-W282 PolarHBondContact O-N 3.5Å; V279-V283 HydrophobicContact CG1-CG2 4.35Å; V279-V283 WeakPolarHBondContact O-CB 3.27Å; V279-V283 VanDerWaalsContact O-CG2 3.3Å; V279-V283 WeakPolarHBondContact O-CG2 3.33Å; V279-V283 PolarHBondContact O-N 3.1Å; V279-L380 HydrophobicContact CG1-CD2 4.33Å; V279-L380 HydrophobicContact CG2-CD1 4.42Å; V279-L380 HydrophobicContact CG2-CD2 4.44Å
280	D	94.4	Very high	97.2	Very high	55 Å²	55	59 Å²	59	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-59.2	-38	175.9	-71.1	-28.9	0	0	0	111.2	K276 K277 S284	K276-D280 IonicContact NZ-OD2 3.76Å; K276-D280 PolarHBondContact NZ-OD2 2.95Å; K276-D280 PolarHBondContact O-N 2.79Å; K277-D280 PolarHBondContact O-N 2.86Å; D280-S284 WeakPolarHBondContact O-CB 3.22Å; D280-S284 PolarHBondContact O-N 3.01Å
281	T	97.7	Very high	97.2	Very high	44 Å²	44	59 Å²	59	27%	0.27	29%	0.294	S	S	.	.	H	α-helix	trans	-65.7	-48.1	175.5	-57.6	0	0	0	0	111.8	K277 Q278 V279 V283 S284 K285	K277-T281 WeakPolarHBondContact O-CB 3.46Å; K277-T281 PolarHBondContact O-N 2.88Å; K277-T281 PolarHBondContact O-OG1 2.97Å; Q278-T281 WeakPolarHBondContact O-CB 3.36Å; Q278-T281 PolarHBondContact O-N 2.83Å; Q278-T281 VanDerWaalsContact O-N 3.16Å; V279-T281 PolarHBondContact O-N 2.87Å; T281-V283 PolarHBondContact O-N 3.46Å; T281-S284 PolarHBondContact O-N 3.23Å; T281-S284 PolarHBondContact O-OG 3.02Å; T281-K285 WeakPolarHBondContact O-CG 3.32Å; T281-K285 PolarHBondContact O-N 3.41Å
282	W	98.1	Very high	97.2	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-60.3	-45.1	176.8	-71.1	-37	0	0	0	111.6	Y235 D237 L242 I244 I259 L270 L273 L274 Q278 V279 S284 K285 M286	Y235-W282 HydrophobicContact CD1-CB 4.49Å; Y235-W282 AromaticContact CD1-CD1 3.98Å; Y235-W282 AromaticContact CE1-CD1 3.73Å; D237-W282 PolarHBondContact OD2-NE1 3.31Å; L242-W282 HydrophobicContact CD1-CH2 4.05Å; L242-W282 HydrophobicContact CD1-CZ2 3.52Å; I244-W282 HydrophobicContact CD1-CB 4.46Å; I244-W282 HydrophobicContact CD1-CD2 4.34Å; I244-W282 HydrophobicContact CD1-CG 4.07Å; I244-W282 HydrophobicContact CG1-CB 4.21Å; I244-W282 HydrophobicContact CG1-CD2 4.23Å; I244-W282 HydrophobicContact CG1-CG 4.12Å; I259-W282 HydrophobicContact CD1-CE3 4.12Å; I259-W282 HydrophobicContact CD1-CZ3 3.93Å; I259-W282 HydrophobicContact CG2-CZ3 4.23Å; L270-W282 HydrophobicContact CD1-CH2 3.92Å; L273-W282 HydrophobicContact CB-CH2 3.95Å; L273-W282 HydrophobicContact CB-CZ2 4.1Å; L274-W282 HydrophobicContact CD1-CZ3 4.35Å; Q278-W282 HydrophobicContact CG-CD2 3.92Å; Q278-W282 HydrophobicContact CG-CE3 4.11Å; Q278-W282 HydrophobicContact CG-CH2 3.65Å; Q278-W282 HydrophobicContact CG-CZ2 3.46Å; Q278-W282 VanDerWaalsContact CG-CZ2 3.46Å; Q278-W282 HydrophobicContact CG-CZ3 3.97Å; Q278-W282 VanDerWaalsContact NE2-CE2 3.33Å; Q278-W282 PolarHBondContact O-N 3.05Å; V279-W282 HydrophobicContact CG2-CE3 4.22Å; V279-W282 HydrophobicContact CG2-CZ3 4.24Å; V279-W282 PolarHBondContact O-N 3.5Å; W282-S284 VanDerWaalsContact C-N 3.32Å; W282-S284 PolarHBondContact O-N 3.27Å; W282-K285 PolarHBondContact O-N 2.91Å; W282-K285 VanDerWaalsContact O-N 3.13Å; W282-M286 PolarHBondContact O-N 3.39Å
283	V	95.7	Very high	97.3	Very high	43 Å²	43	52.4 Å²	52.4	26%	0.261	27%	0.269	S	S	.	.	H	α-helix	trans	-60.1	-42.2	177.5	171.1	0	0	0	0	111.2	I257 V279 T281 K285 M286	I257-V283 HydrophobicContact CD1-CG2 3.75Å; V279-V283 HydrophobicContact CG1-CG2 4.35Å; V279-V283 WeakPolarHBondContact O-CB 3.27Å; V279-V283 VanDerWaalsContact O-CG2 3.3Å; V279-V283 WeakPolarHBondContact O-CG2 3.33Å; V279-V283 PolarHBondContact O-N 3.1Å; T281-V283 PolarHBondContact O-N 3.46Å; V283-K285 PolarHBondContact O-N 2.91Å; V283-M286 HydrophobicContact CG2-CE 4.23Å; V283-M286 PolarHBondContact O-N 3.1Å
284	S	97	Very high	97.3	Very high	95 Å²	95	50.7 Å²	50.7	66%	0.664	26%	0.261	S	S	*	.	H	α-helix	trans	-65.3	-18.1	178.3	73	0	0	0	0	114.9	D280 T281 W282	D280-S284 WeakPolarHBondContact O-CB 3.22Å; D280-S284 PolarHBondContact O-N 3.01Å; T281-S284 PolarHBondContact O-N 3.23Å; T281-S284 PolarHBondContact O-OG 3.02Å; W282-S284 VanDerWaalsContact C-N 3.32Å; W282-S284 PolarHBondContact O-N 3.27Å
285	K	98.3	Very high	97.3	Very high	95 Å²	95	50.7 Å²	50.7	41%	0.413	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-1.4	-179.8	-69.1	-178.8	176.5	-174.5	0	113.3	Y235 T281 W282 V283	Y235-K285 HydrophobicContact CD1-CB 4.25Å; Y235-K285 HydrophobicContact CD2-CB 3.63Å; Y235-K285 WeakPolarHBondContact CD2-O 3.42Å; Y235-K285 HydrophobicContact CE1-CB 4.32Å; Y235-K285 HydrophobicContact CE1-CD 3.99Å; Y235-K285 HydrophobicContact CE2-CB 3.7Å; Y235-K285 HydrophobicContact CE2-CD 3.81Å; Y235-K285 HydrophobicContact CE2-CG 4.38Å; Y235-K285 HydrophobicContact CG-CB 3.94Å; Y235-K285 WeakPolarHBondContact OH-CD 3.31Å; T281-K285 WeakPolarHBondContact O-CG 3.32Å; T281-K285 PolarHBondContact O-N 3.41Å; W282-K285 PolarHBondContact O-N 2.91Å; W282-K285 VanDerWaalsContact O-N 3.13Å; V283-K285 PolarHBondContact O-N 2.91Å
286	M	98	Very high	97.4	Very high	26 Å²	26	47.6 Å²	47.6	13%	0.128	24%	0.242	C	C	.	.			trans	-70.9	140.8	179.3	-65.4	176.1	170	0	0	111.3	D233 I244 N246 I257 W282 V283	D233-M286 HydrophobicContact CB-CB 3.75Å; D233-M286 HydrophobicContact CB-SD 4.12Å; I244-M286 HydrophobicContact CB-CE 3.88Å; I244-M286 HydrophobicContact CG2-CE 3.14Å; N246-M286 HydrophobicContact CB-CE 4.25Å; N246-M286 HydrophobicContact CB-SD 3.66Å; I257-M286 HydrophobicContact CG2-CE 4.27Å; W282-M286 PolarHBondContact O-N 3.39Å; V283-M286 HydrophobicContact CG2-CE 4.23Å; V283-M286 PolarHBondContact O-N 3.1Å
287	E	98	Very high	97.6	Very high	133 Å²	133	49 Å²	49	62%	0.621	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.8	174.6	-66.3	179	171.1	0	0	109.6	F234 R289	F234-E287 PolarHBondContact N-O 3.48Å; F234-E287 PolarHBondContact O-N 2.73Å; E287-R289 PolarHBondContact O-N 2.96Å
288	N	97.7	Very high	97.5	Very high	96 Å²	96	41.5 Å²	41.5	51%	0.513	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	120.5	177.4	-165	-95.9	0	0	0	110.5	Y232 D233	Y232-N288 WeakPolarHBondContact O-CA 3.48Å; D233-N288 PolarHBondContact OD1-ND2 3Å
289	R	97.4	Very high	97.3	Very high	94 Å²	94	41.5 Å²	41.5	36%	0.355	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	169.4	-177.9	72.9	-171.1	-44.3	160.9	16.4	113.1	L231 Y232 F234 E287 V291	L231-R289 WeakPolarHBondContact CA-O 3.36Å; Y232-R289 PolarHBondContact N-O 2.82Å; Y232-R289 PolarHBondContact O-N 3.34Å; F234-R289 HydrophobicContact CB-CG 4.07Å; F234-R289 HydrophobicContact CD1-CG 4.5Å; E287-R289 PolarHBondContact O-N 2.96Å; R289-V291 HydrophobicContact CG-CG2 3.99Å; R289-V291 PolarHBondContact O-N 2.93Å
290	A	98.5	Very high	97.3	Very high	10 Å²	10	41.3 Å²	41.3	8%	0.083	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	122.8	171.2	0	0	0	0	0	111.5	G230 K364 L365 P368 K369	G230-A290 WeakPolarHBondContact O-CA 3.45Å; A290-K364 WeakPolarHBondContact CB-O 3.31Å; A290-L365 HydrophobicContact CB-CD2 4.11Å; A290-P368 HydrophobicContact CB-CB 3.98Å; A290-P368 WeakPolarHBondContact O-CA 3.47Å; A290-K369 PolarHBondContact O-N 2.96Å
291	V	98.8	Very high	97.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.7	174.5	-172.3	0	0	0	0	109.3	T229 G230 Y232 F234 L245 R289 I293 K369 F371	T229-V291 WeakPolarHBondContact CA-O 3.32Å; G230-V291 PolarHBondContact N-O 2.93Å; G230-V291 PolarHBondContact O-N 2.84Å; Y232-V291 HydrophobicContact CD2-CB 4.02Å; F234-V291 HydrophobicContact CB-CG2 3.84Å; F234-V291 HydrophobicContact CD2-CG1 4.42Å; F234-V291 HydrophobicContact CD2-CG2 4.09Å; F234-V291 HydrophobicContact CG-CG2 4.05Å; L245-V291 HydrophobicContact CD1-CG1 4.23Å; L245-V291 HydrophobicContact CD1-CG2 4.32Å; R289-V291 HydrophobicContact CG-CG2 3.99Å; R289-V291 PolarHBondContact O-N 2.93Å; V291-I293 HydrophobicContact CB-CG1 4.42Å; V291-I293 HydrophobicContact CG1-CG1 3.87Å; V291-K369 CarbonylContact C-O 3.59Å; V291-K369 VanDerWaalsContact CA-O 3.27Å; V291-K369 WeakPolarHBondContact CA-O 3.21Å; V291-K369 WeakPolarHBondContact CG1-O 3.29Å; V291-F371 HydrophobicContact CG1-CB 3.69Å
292	A	98.8	Very high	97.3	Very high	19 Å²	19	40.3 Å²	40.3	16%	0.157	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	102.1	169.2	0	0	0	0	0	107.8	P368 K369 F371	A292-P368 HydrophobicContact CB-CB 3.98Å; A292-P368 HydrophobicContact CB-CG 3.95Å; A292-K369 PolarHBondContact N-O 3.12Å; A292-F371 PolarHBondContact O-N 2.74Å
293	I	98.8	Very high	97.3	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135	-177.5	-58.2	168.1	0	0	0	108.7	F203 H227 R228 Y232 L245 M247 V291 L295 F371	F203-I293 HydrophobicContact CZ-CG2 4.38Å; H227-I293 WeakPolarHBondContact CA-O 3.24Å; R228-I293 PolarHBondContact N-O 3.47Å; R228-I293 PolarHBondContact O-N 3.29Å; Y232-I293 HydrophobicContact CD1-CD1 3.97Å; Y232-I293 HydrophobicContact CD2-CD1 3.64Å; Y232-I293 HydrophobicContact CD2-CG1 4.39Å; Y232-I293 HydrophobicContact CE1-CD1 3.63Å; Y232-I293 HydrophobicContact CE2-CD1 3.26Å; Y232-I293 HydrophobicContact CE2-CG1 4.14Å; Y232-I293 HydrophobicContact CG-CD1 3.95Å; L245-I293 HydrophobicContact CD1-CD1 4.47Å; L245-I293 HydrophobicContact CD2-CD1 3.64Å; L245-I293 HydrophobicContact CD2-CG1 3.78Å; L245-I293 HydrophobicContact CD2-CG2 4.44Å; M247-I293 HydrophobicContact CE-CD1 3.99Å; M247-I293 HydrophobicContact CG-CD1 4.32Å; M247-I293 HydrophobicContact SD-CD1 4.1Å; V291-I293 HydrophobicContact CB-CG1 4.42Å; V291-I293 HydrophobicContact CG1-CG1 3.87Å; I293-L295 HydrophobicContact CG2-CB 4.16Å; I293-F371 WeakPolarHBondContact CA-O 3.39Å
294	S	98.8	Very high	97.4	Very high	10 Å²	10	41 Å²	41	7%	0.07	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	114.4	162.4	-51.8	0	0	0	0	107.8	M225 M226 H227 F371 Y372 V373	M225-S294 VanDerWaalsContact SD-CB 3.51Å; M226-S294 WeakPolarHBondContact O-CA 3.33Å; H227-S294 VanDerWaalsContact ND1-CB 3.31Å; H227-S294 WeakPolarHBondContact ND1-CB 3.32Å; H227-S294 PolarHBondContact ND1-OG 3.08Å; S294-F371 PolarHBondContact N-O 3.33Å; S294-Y372 VanDerWaalsContact OG-CD2 3.28Å; S294-Y372 WeakPolarHBondContact OG-CD2 2.96Å; S294-V373 WeakPolarHBondContact O-CB 3.22Å; S294-V373 WeakPolarHBondContact O-CG2 3.4Å; S294-V373 PolarHBondContact O-N 2.95Å
295	L	98.7	Very high	97.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.1	-173.5	-168.1	68.9	0	0	0	109	W199 M226 M247 L258 I293 K297 L348 V373	W199-L295 HydrophobicContact CH2-CD2 4Å; W199-L295 HydrophobicContact CZ2-CD2 4.04Å; M226-L295 HydrophobicContact CE-CB 4.06Å; M226-L295 HydrophobicContact CE-CD2 3.65Å; M226-L295 HydrophobicContact CE-CG 4.15Å; M226-L295 HydrophobicContact CG-CB 4.35Å; M226-L295 WeakPolarHBondContact CG-O 3.38Å; M226-L295 PolarHBondContact N-O 3.49Å; M226-L295 PolarHBondContact O-N 2.91Å; M247-L295 HydrophobicContact SD-CD2 4.39Å; L258-L295 HydrophobicContact CD1-CD1 3.58Å; L258-L295 HydrophobicContact CD1-CD2 4.41Å; I293-L295 HydrophobicContact CG2-CB 4.16Å; L295-K297 PolarHBondContact O-N 2.84Å; L295-L348 HydrophobicContact CD2-CD1 4.08Å; L295-L348 HydrophobicContact CG-CD1 4.32Å; L295-V373 HydrophobicContact CD1-CB 3.99Å; L295-V373 HydrophobicContact CD1-CG1 4.13Å; L295-V373 HydrophobicContact CD1-CG2 3.77Å
296	P	98.1	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	131.1	177.7	30.5	-34.3	0	0	0	109.2	F213 V223 I298 V373 F377	F213-P296 HydrophobicContact CD2-CG 4.4Å; F213-P296 HydrophobicContact CE2-CG 4.33Å; V223-P296 HydrophobicContact CG2-CB 4.17Å; P296-I298 HydrophobicContact CB-CG2 3.73Å; P296-I298 HydrophobicContact CG-CG2 4.02Å; P296-I298 PolarHBondContact O-N 2.98Å; P296-V373 WeakPolarHBondContact CD-O 2.72Å; P296-F377 HydrophobicContact CG-CE1 4.18Å
297	K	97.4	Very high	97.3	Very high	77 Å²	77	34.7 Å²	34.7	34%	0.335	18%	0.18	S	C	.	.			trans	-75.2	104.7	167.5	-170.6	-166.7	-161.9	-57.5	0	106.9	S224 L295 L348 D349	S224-K297 WeakPolarHBondContact O-CB 3.49Å; S224-K297 PolarHBondContact O-N 2.92Å; L295-K297 PolarHBondContact O-N 2.84Å; K297-L348 WeakPolarHBondContact CA-O 3.28Å; K297-L348 VanDerWaalsContact CG-O 3.28Å; K297-L348 WeakPolarHBondContact CG-O 3.41Å; K297-D349 WeakPolarHBondContact CE-OD1 3.41Å; K297-D349 IonicContact NZ-OD1 2.69Å; K297-D349 PolarHBondContact NZ-OD1 3.37Å; K297-D349 IonicContact NZ-OD2 2.86Å; K297-D349 PolarHBondContact NZ-OD2 3.32Å
298	I	92.9	Very high	97.2	Very high	11 Å²	11	32.9 Å²	32.9	6%	0.056	17%	0.17	C	C	.	.			trans	-120.3	144.1	-173.3	64.3	177.1	0	0	0	111.1	P296 L300 E347 L348 V395 P398	P296-I298 HydrophobicContact CB-CG2 3.73Å; P296-I298 HydrophobicContact CG-CG2 4.02Å; P296-I298 PolarHBondContact O-N 2.98Å; I298-L300 HydrophobicContact CD1-CB 4.36Å; I298-E347 CarbonylContact O-C 3.53Å; I298-E347 VanDerWaalsContact O-CA 3.3Å; I298-E347 WeakPolarHBondContact O-CA 3.44Å; I298-L348 HydrophobicContact CD1-CD1 3.81Å; I298-L348 HydrophobicContact CD1-CG 4.09Å; I298-L348 HydrophobicContact CG1-CB 3.95Å; I298-L348 HydrophobicContact CG1-CD1 3.82Å; I298-L348 HydrophobicContact CG1-CG 3.69Å; I298-L348 PolarHBondContact N-O 2.91Å; I298-L348 PolarHBondContact O-N 2.7Å; I298-V395 HydrophobicContact CD1-CG1 4.31Å; I298-V395 HydrophobicContact CD1-CG2 3.87Å; I298-P398 HydrophobicContact CG2-CB 3.91Å
299	S	94.5	Very high	97.2	Very high	51 Å²	51	28.9 Å²	28.9	36%	0.357	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	105.9	158.2	-176.1	0	0	0	0	106.7	K399	S299-K399 WeakPolarHBondContact O-CD 3.48Å
300	L	94.7	Very high	97.2	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.026	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.3	-174.5	179.1	69.7	0	0	0	108.6	N55 V57 I298 V302 A345 L346 V395	N55-L300 HydrophobicContact CB-CD1 4.13Å; N55-L300 HydrophobicContact CB-CD2 4.2Å; N55-L300 VanDerWaalsContact ND2-CD1 3.34Å; N55-L300 WeakPolarHBondContact ND2-CD1 3.5Å; V57-L300 HydrophobicContact CG2-CD2 3.89Å; I298-L300 HydrophobicContact CD1-CB 4.36Å; L300-V302 HydrophobicContact CD1-CG2 3.91Å; L300-V302 HydrophobicContact CD2-CG2 3.61Å; L300-V302 HydrophobicContact CG-CG2 3.51Å; L300-A345 CarbonylContact O-C 3.52Å; L300-A345 VanDerWaalsContact O-CA 3.24Å; L300-A345 WeakPolarHBondContact O-CA 3.49Å; L300-L346 HydrophobicContact CB-CB 4.39Å; L300-L346 PolarHBondContact N-O 3.18Å; L300-L346 PolarHBondContact O-N 2.81Å; L300-V395 HydrophobicContact CD2-CG2 4.37Å
301	E	96.7	Very high	97.2	Very high	64 Å²	64	24.9 Å²	24.9	30%	0.299	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.2	171.5	-70.8	148.5	-137.9	0	0	107.2	L174 A345 K399	L174-E301 HydrophobicContact CD1-CB 4.17Å; L174-E301 HydrophobicContact CD1-CG 4.17Å; E301-A345 HydrophobicContact CG-CB 4.41Å; E301-K399 IonicContact OE1-NZ 2.71Å; E301-K399 PolarHBondContact OE1-NZ 3.45Å; E301-K399 IonicContact OE2-NZ 3.09Å; E301-K399 PolarHBondContact OE2-NZ 3.19Å
302	V	97.1	Very high	97.1	Very high	14 Å²	14	30.1 Å²	30.1	9%	0.085	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.6	178.3	-162.9	0	0	0	0	109.3	N55 V57 L300 H304 A343 S344	N55-V302 HydrophobicContact CB-CG2 3.98Å; N55-V302 WeakPolarHBondContact O-CG1 3.29Å; V57-V302 HydrophobicContact CB-CB 4.36Å; V57-V302 HydrophobicContact CB-CG2 4.37Å; V57-V302 HydrophobicContact CG2-CB 4.15Å; V57-V302 HydrophobicContact CG2-CG2 3.64Å; L300-V302 HydrophobicContact CD1-CG2 3.91Å; L300-V302 HydrophobicContact CD2-CG2 3.61Å; L300-V302 HydrophobicContact CG-CG2 3.51Å; V302-H304 WeakPolarHBondContact CG1-CE1 3.33Å; V302-H304 WeakPolarHBondContact CG1-NE2 3.45Å; V302-A343 CarbonylContact O-C 3.59Å; V302-A343 VanDerWaalsContact O-CA 3.26Å; V302-A343 WeakPolarHBondContact O-CA 3.44Å; V302-S344 PolarHBondContact N-O 2.93Å; V302-S344 PolarHBondContact O-N 2.86Å
303	S	97.3	Very high	97.1	Very high	45 Å²	45	31.4 Å²	31.4	32%	0.315	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	121.9	176.4	-177.8	0	0	0	0	109.8	I177	I177-S303 WeakPolarHBondContact O-CB 3.32Å; I177-S303 PolarHBondContact O-OG 2.94Å
304	H	97.4	Very high	97	Very high	13 Å²	13	32.8 Å²	32.8	6%	0.06	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.7	178.1	-58.7	-63.2	0	0	0	109.9	M47 N55 V57 V302 L306 F341 H342	M47-H304 HydrophobicContact CE-CB 3.98Å; M47-H304 WeakPolarHBondContact CE-CE1 3.43Å; M47-H304 WeakPolarHBondContact CE-ND1 3.41Å; N55-H304 PolarHBondContact O-CE1 3.2Å; V57-H304 PolarHBondContact N-NE2 2.8Å; V57-H304 PolarHBondContact O-CD2 3.12Å; V302-H304 WeakPolarHBondContact CG1-CE1 3.33Å; V302-H304 WeakPolarHBondContact CG1-NE2 3.45Å; H304-L306 HydrophobicContact CB-CD2 3.54Å; H304-L306 HydrophobicContact CB-CG 4.23Å; H304-L306 PolarHBondContact O-N 3.05Å; H304-F341 CarbonylContact O-C 3.48Å; H304-F341 WeakPolarHBondContact O-CA 3.5Å; H304-H342 PolarHBondContact N-O 3.32Å; H304-H342 PolarHBondContact O-N 3.45Å
305	N	96.6	Very high	97	Very high	50 Å²	50	32.3 Å²	32.3	27%	0.267	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	99.6	160.1	-176.3	8.8	0	0	0	108.8	Q307 N339 V340 F341	N305-Q307 PolarHBondContact O-N 3.17Å; N305-Q307 VanDerWaalsContact OD1-CB 3.32Å; N305-Q307 WeakPolarHBondContact OD1-CB 3.39Å; N305-Q307 PolarHBondContact OD1-N 3.3Å; N305-N339 PolarHBondContact ND2-ND2 3.32Å; N305-V340 CarbonylContact C-O 3.52Å; N305-V340 WeakPolarHBondContact CA-O 3.48Å; N305-V340 PolarHBondContact OD1-N 2.89Å; N305-F341 HydrophobicContact CB-CD1 4.22Å; N305-F341 HydrophobicContact CB-CE1 4.08Å
306	L	97.8	Very high	97	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.			trans	-74.7	-9.8	-174.9	-57.4	-177	0	0	0	113.9	L43 M47 V63 H304 K308 Y309 L310 V340 H342	L43-L306 HydrophobicContact CD1-CD2 4.3Å; L43-L306 HydrophobicContact CD2-CD1 3.89Å; L43-L306 HydrophobicContact CD2-CD2 4.01Å; L43-L306 HydrophobicContact CD2-CG 4.49Å; L43-L306 HydrophobicContact CG-CD2 4.46Å; M47-L306 HydrophobicContact CE-CD2 4.31Å; M47-L306 HydrophobicContact SD-CD2 3.86Å; V63-L306 HydrophobicContact CG1-CD1 4.37Å; V63-L306 HydrophobicContact CG2-CD1 3.64Å; H304-L306 HydrophobicContact CB-CD2 3.54Å; H304-L306 HydrophobicContact CB-CG 4.23Å; H304-L306 PolarHBondContact O-N 3.05Å; L306-K308 PolarHBondContact O-N 2.83Å; L306-Y309 HydrophobicContact CD2-CD2 4.49Å; L306-Y309 PolarHBondContact O-N 2.82Å; L306-Y309 VanDerWaalsContact O-N 3.12Å; L306-L310 HydrophobicContact CB-CD1 3.99Å; L306-L310 HydrophobicContact CB-CG 4.21Å; L306-L310 WeakPolarHBondContact O-CB 3.41Å; L306-L310 WeakPolarHBondContact O-CG 3.33Å; L306-L310 PolarHBondContact O-N 2.81Å; L306-V340 HydrophobicContact CB-CB 4.1Å; L306-V340 HydrophobicContact CB-CG1 4.1Å; L306-V340 HydrophobicContact CD1-CG1 4.49Å; L306-V340 PolarHBondContact N-O 2.64Å; L306-H342 HydrophobicContact CD1-CB 3.46Å; L306-H342 VanDerWaalsContact CD1-CB 3.46Å; L306-H342 HydrophobicContact CD2-CB 4.46Å; L306-H342 HydrophobicContact CG-CB 3.77Å
307	Q	96.8	Very high	97	Very high	35 Å²	35	37.5 Å²	37.5	16%	0.164	20%	0.203	C	C	.	.	H	α-helix	trans	-51.9	-51	-172.8	-178.6	-100.9	98.7	0	0	112.4	N305 Y309 L310 A311 V319 S338 V340	N305-Q307 PolarHBondContact O-N 3.17Å; N305-Q307 VanDerWaalsContact OD1-CB 3.32Å; N305-Q307 WeakPolarHBondContact OD1-CB 3.39Å; N305-Q307 PolarHBondContact OD1-N 3.3Å; Q307-Y309 PolarHBondContact O-N 3.35Å; Q307-L310 PolarHBondContact O-N 3.15Å; Q307-A311 WeakPolarHBondContact O-CB 3.34Å; Q307-A311 PolarHBondContact O-N 2.84Å; Q307-V319 HydrophobicContact CG-CB 4.15Å; Q307-V319 HydrophobicContact CG-CG1 3.65Å; Q307-S338 PolarHBondContact NE2-O 2.84Å; Q307-V340 HydrophobicContact CB-CG2 4.41Å
308	K	95.9	Very high	97	Very high	94 Å²	94	33.9 Å²	33.9	41%	0.409	19%	0.187	S	C	.	.	H	α-helix	trans	-63.4	-41.6	-179.5	73.1	179.6	-173.1	178.7	0	112.8	D50 L306 A311 E312	D50-K308 IonicContact OD2-NZ 2.57Å; D50-K308 PolarHBondContact OD2-NZ 2.83Å; L306-K308 PolarHBondContact O-N 2.83Å; K308-A311 WeakPolarHBondContact O-CB 3.36Å; K308-A311 PolarHBondContact O-N 2.95Å; K308-E312 WeakPolarHBondContact O-CG 3.22Å; K308-E312 PolarHBondContact O-N 2.94Å
309	Y	97.8	Very high	97.2	Very high	12 Å²	12	34.6 Å²	34.6	5%	0.047	19%	0.193	C	C	.	.	H	α-helix	trans	-72.4	-36.5	-177.4	-54.4	-68.6	0	0	0	111.4	L43 K46 M47 D50 L306 Q307 A311 E312 L313	L43-Y309 VanDerWaalsContact CD1-CB 3.48Å; L43-Y309 HydrophobicContact CD1-CG 4.31Å; K46-Y309 HydrophobicContact CB-CD1 4.08Å; M47-Y309 HydrophobicContact CG-CD1 4.16Å; M47-Y309 HydrophobicContact CG-CD2 3.71Å; M47-Y309 HydrophobicContact CG-CE1 4.12Å; M47-Y309 HydrophobicContact CG-CE2 3.69Å; M47-Y309 HydrophobicContact CG-CG 3.95Å; D50-Y309 HydrophobicContact CB-CE1 4.36Å; D50-Y309 PolarHBondContact OD2-OH 3.41Å; L306-Y309 HydrophobicContact CD2-CD2 4.49Å; L306-Y309 PolarHBondContact O-N 2.82Å; L306-Y309 VanDerWaalsContact O-N 3.12Å; Q307-Y309 PolarHBondContact O-N 3.35Å; Y309-A311 VanDerWaalsContact C-N 3.33Å; Y309-E312 PolarHBondContact O-N 3.18Å; Y309-L313 VanDerWaalsContact O-CG 3.28Å; Y309-L313 WeakPolarHBondContact O-CG 3.27Å; Y309-L313 PolarHBondContact O-N 3.36Å; Y309-L313 VanDerWaalsContact O-N 3.07Å
310	L	98.3	Very high	97.3	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-66	-37.3	173.4	-69	172.3	0	0	0	111.5	V63 L67 L306 Q307 L313 G314 L315 V340	V63-L310 HydrophobicContact CG1-CD2 4.32Å; L67-L310 HydrophobicContact CD1-CD2 4.37Å; L67-L310 HydrophobicContact CD2-CD1 4.4Å; L67-L310 HydrophobicContact CD2-CD2 4.34Å; L306-L310 HydrophobicContact CB-CD1 3.99Å; L306-L310 HydrophobicContact CB-CG 4.21Å; L306-L310 WeakPolarHBondContact O-CB 3.41Å; L306-L310 WeakPolarHBondContact O-CG 3.33Å; L306-L310 PolarHBondContact O-N 2.81Å; Q307-L310 PolarHBondContact O-N 3.15Å; L310-L313 CarbonylContact O-C 3.2Å; L310-L313 PolarHBondContact O-N 2.96Å; L310-G314 PolarHBondContact O-N 3.23Å; L310-L315 HydrophobicContact CB-CB 4.25Å; L310-L315 HydrophobicContact CB-CD2 4.19Å; L310-L315 VanDerWaalsContact O-CB 3.32Å; L310-L315 WeakPolarHBondContact O-CB 3.15Å; L310-L315 PolarHBondContact O-N 3.4Å; L310-V340 HydrophobicContact CD1-CB 4.4Å; L310-V340 HydrophobicContact CD1-CG1 4.26Å; L310-V340 HydrophobicContact CD1-CG2 4.18Å
311	A	98	Very high	97.3	Very high	19 Å²	19	39.4 Å²	39.4	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-45.4	173.7	0	0	0	0	0	111.7	Q307 K308 Y309 L313 G314 T316 V319	Q307-A311 WeakPolarHBondContact O-CB 3.34Å; Q307-A311 PolarHBondContact O-N 2.84Å; K308-A311 WeakPolarHBondContact O-CB 3.36Å; K308-A311 PolarHBondContact O-N 2.95Å; Y309-A311 VanDerWaalsContact C-N 3.33Å; A311-L313 PolarHBondContact O-N 3.38Å; A311-G314 PolarHBondContact O-N 2.89Å; A311-T316 WeakPolarHBondContact O-CG2 3.27Å; A311-V319 HydrophobicContact CB-CG1 4.45Å; A311-V319 HydrophobicContact CB-CG2 3.77Å
312	E	97.5	Very high	97.3	Very high	109 Å²	109	41.3 Å²	41.3	51%	0.509	23%	0.229	S	C	.	.	H	α-helix	trans	-62.2	-25.8	173.9	-73.2	-178.6	-145.8	0	0	113.8	K46 K308 Y309 G314	K46-E312 WeakPolarHBondContact CD-OE2 3.33Å; K46-E312 IonicContact NZ-OE2 2.74Å; K46-E312 PolarHBondContact NZ-OE2 3.46Å; K308-E312 WeakPolarHBondContact O-CG 3.22Å; K308-E312 PolarHBondContact O-N 2.94Å; Y309-E312 PolarHBondContact O-N 3.18Å; E312-G314 VanDerWaalsContact C-N 3.33Å
313	L	97.5	Very high	97.3	Very high	47 Å²	47	46.1 Å²	46.1	25%	0.246	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-2	175.7	-68.8	173.4	0	0	0	113.2	L39 L43 K46 Y309 L310 A311	L39-L313 HydrophobicContact CD1-CD1 4.04Å; L43-L313 HydrophobicContact CB-CD1 4.24Å; L43-L313 HydrophobicContact CD1-CD1 4.25Å; K46-L313 HydrophobicContact CG-CD2 3.98Å; K46-L313 HydrophobicContact CG-CG 4.26Å; Y309-L313 VanDerWaalsContact O-CG 3.28Å; Y309-L313 WeakPolarHBondContact O-CG 3.27Å; Y309-L313 PolarHBondContact O-N 3.36Å; Y309-L313 VanDerWaalsContact O-N 3.07Å; L310-L313 CarbonylContact O-C 3.2Å; L310-L313 PolarHBondContact O-N 2.96Å; A311-L313 PolarHBondContact O-N 3.38Å
314	G	97.7	Very high	97.3	Very high	31 Å²	31	44.2 Å²	44.2	32%	0.32	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	123.7	-5.7	172	0	0	0	0	0	115.7	Q81 L310 A311 E312 T316	Q81-G314 PolarHBondContact OE1-O 3.31Å; L310-G314 PolarHBondContact O-N 3.23Å; A311-G314 PolarHBondContact O-N 2.89Å; E312-G314 VanDerWaalsContact C-N 3.33Å; G314-T316 PolarHBondContact O-N 3.26Å
315	L	98.1	Very high	97.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.			trans	-80.8	56.8	177.7	-164.3	75.3	0	0	0	111.8	L67 V70 Q81 V82 V85 L310 A318 L337	L67-L315 HydrophobicContact CD2-CD1 4.14Å; L67-L315 HydrophobicContact CD2-CD2 3.76Å; L67-L315 HydrophobicContact CD2-CG 4.46Å; V70-L315 HydrophobicContact CG1-CD1 4.35Å; Q81-L315 HydrophobicContact CB-CD1 4.44Å; V82-L315 HydrophobicContact CG2-CD1 3.6Å; V85-L315 HydrophobicContact CG2-CB 4.24Å; L310-L315 HydrophobicContact CB-CB 4.25Å; L310-L315 HydrophobicContact CB-CD2 4.19Å; L310-L315 VanDerWaalsContact O-CB 3.32Å; L310-L315 WeakPolarHBondContact O-CB 3.15Å; L310-L315 PolarHBondContact O-N 3.4Å; L315-A318 HydrophobicContact CD1-CB 4.17Å; L315-A318 HydrophobicContact CD2-CB 4.17Å; L315-A318 HydrophobicContact CG-CB 3.91Å; L315-L337 HydrophobicContact CD2-CD2 4.12Å
316	T	98.3	Very high	97.3	Very high	68 Å²	68	42.5 Å²	42.5	42%	0.417	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-32.9	-169	55.7	0	0	0	0	113.9	Q81 A311 G314 V319 D320	Q81-T316 PolarHBondContact NE2-OG1 2.85Å; Q81-T316 PolarHBondContact OE1-OG1 3.47Å; A311-T316 WeakPolarHBondContact O-CG2 3.27Å; G314-T316 PolarHBondContact O-N 3.26Å; T316-V319 WeakPolarHBondContact O-CG2 3.45Å; T316-D320 WeakPolarHBondContact O-CB 3.27Å
317	E	98.2	Very high	97.3	Very high	41 Å²	41	43.2 Å²	43.2	19%	0.192	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-42	-177.1	-75.4	-173.1	-163.1	0	0	112.8	S77 T78 V319 D320 K323 A324	S77-E317 VanDerWaalsContact C-OE2 3.3Å; S77-E317 WeakPolarHBondContact CB-OE1 3.44Å; S77-E317 WeakPolarHBondContact CB-OE2 3.24Å; S77-E317 PolarHBondContact OG-OE1 3.13Å; S77-E317 PolarHBondContact OG-OE2 3.11Å; T78-E317 PolarHBondContact N-OE2 2.65Å; T78-E317 PolarHBondContact OG1-OE2 2.7Å; E317-V319 PolarHBondContact O-N 2.95Å; E317-V319 VanDerWaalsContact O-N 3.1Å; E317-D320 PolarHBondContact O-N 3.39Å; E317-K323 HydrophobicContact CB-CB 4.27Å; E317-K323 HydrophobicContact CG-CB 4.04Å; E317-K323 HydrophobicContact CG-CD 4.34Å; E317-A324 VanDerWaalsContact O-CA 3.31Å; E317-A324 WeakPolarHBondContact O-CA 3.46Å; E317-A324 WeakPolarHBondContact O-CB 3.4Å; E317-A324 PolarHBondContact O-N 3.02Å
318	A	97.8	Very high	97.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-30	-177.1	0	0	0	0	0	112.3	V70 T78 L315 L337	V70-A318 HydrophobicContact CG1-CB 3.82Å; T78-A318 HydrophobicContact CG2-CB 3.95Å; L315-A318 HydrophobicContact CD1-CB 4.17Å; L315-A318 HydrophobicContact CD2-CB 4.17Å; L315-A318 HydrophobicContact CG-CB 3.91Å; A318-L337 HydrophobicContact CB-CB 4.42Å; A318-L337 VanDerWaalsContact O-CB 3.28Å; A318-L337 WeakPolarHBondContact O-CB 3.42Å; A318-L337 PolarHBondContact O-N 3.3Å
319	V	96.9	Very high	97.4	Very high	27 Å²	27	40.4 Å²	40.4	16%	0.164	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-10.1	-177.4	-52.2	0	0	0	0	113.3	Q307 A311 T316 E317	Q307-V319 HydrophobicContact CG-CB 4.15Å; Q307-V319 HydrophobicContact CG-CG1 3.65Å; A311-V319 HydrophobicContact CB-CG1 4.45Å; A311-V319 HydrophobicContact CB-CG2 3.77Å; T316-V319 WeakPolarHBondContact O-CG2 3.45Å; E317-V319 PolarHBondContact O-N 2.95Å; E317-V319 VanDerWaalsContact O-N 3.1Å
320	D	96.4	Very high	97.2	Very high	46 Å²	46	40.7 Å²	40.7	25%	0.246	23%	0.226	C	C	.	.			trans	-96.6	112.9	-179.2	-178.4	-30.8	0	0	0	109.4	T316 E317 S322 K323 A324	T316-D320 WeakPolarHBondContact O-CB 3.27Å; E317-D320 PolarHBondContact O-N 3.39Å; D320-S322 PolarHBondContact O-N 2.95Å; D320-S322 WeakPolarHBondContact OD1-CB 3.39Å; D320-S322 PolarHBondContact OD1-N 2.99Å; D320-S322 PolarHBondContact OD1-OG 3.19Å; D320-K323 HydrophobicContact CB-CB 4.17Å; D320-K323 HydrophobicContact CB-CD 4.34Å; D320-K323 HydrophobicContact CB-CG 4.4Å; D320-K323 PolarHBondContact O-N 3.31Å; D320-K323 WeakPolarHBondContact OD2-CD 3.4Å; D320-K323 VanDerWaalsContact OD2-CE 3.27Å; D320-K323 WeakPolarHBondContact OD2-CE 3.42Å; D320-K323 IonicContact OD2-NZ 3.02Å; D320-K323 PolarHBondContact OD2-NZ 3.07Å; D320-A324 WeakPolarHBondContact O-CB 3.39Å; D320-A324 PolarHBondContact O-N 3Å
321	K	95.3	Very high	96.9	Very high	110 Å²	110	43.6 Å²	43.6	48%	0.478	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-28.8	-178.6	-175	174	-179.3	178.5	0	114.2	D185 Y336	D185-K321 IonicContact OD2-NZ 3.05Å; D185-K321 PolarHBondContact OD2-NZ 3.1Å; K321-Y336 HydrophobicContact CB-CD1 3.82Å; K321-Y336 HydrophobicContact CB-CD2 4.3Å; K321-Y336 HydrophobicContact CB-CE1 4.08Å; K321-Y336 HydrophobicContact CB-CE2 4.49Å; K321-Y336 HydrophobicContact CB-CG 3.95Å; K321-Y336 HydrophobicContact CD-CD1 4.16Å; K321-Y336 HydrophobicContact CD-CE1 3.84Å; K321-Y336 HydrophobicContact CG-CD1 3.72Å; K321-Y336 HydrophobicContact CG-CE1 3.93Å; K321-Y336 HydrophobicContact CG-CG 4.32Å
322	S	95.8	Very high	96.4	Very high	104 Å²	104	47 Å²	47	73%	0.727	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-17.4	-178.5	69.8	0	0	0	0	113.9	D320	D320-S322 PolarHBondContact O-N 2.95Å; D320-S322 WeakPolarHBondContact OD1-CB 3.39Å; D320-S322 PolarHBondContact OD1-N 2.99Å; D320-S322 PolarHBondContact OD1-OG 3.19Å
323	K	97.1	Very high	95.9	Very high	116 Å²	116	48.5 Å²	48.5	50%	0.504	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-25	-173.4	-61	178	-170.4	141.3	0	113.8	E317 D320 D325	E317-K323 HydrophobicContact CB-CB 4.27Å; E317-K323 HydrophobicContact CG-CB 4.04Å; E317-K323 HydrophobicContact CG-CD 4.34Å; D320-K323 HydrophobicContact CB-CB 4.17Å; D320-K323 HydrophobicContact CB-CD 4.34Å; D320-K323 HydrophobicContact CB-CG 4.4Å; D320-K323 PolarHBondContact O-N 3.31Å; D320-K323 WeakPolarHBondContact OD2-CD 3.4Å; D320-K323 VanDerWaalsContact OD2-CE 3.27Å; D320-K323 WeakPolarHBondContact OD2-CE 3.42Å; D320-K323 IonicContact OD2-NZ 3.02Å; D320-K323 PolarHBondContact OD2-NZ 3.07Å; K323-D325 PolarHBondContact O-N 3.16Å
324	A	97.8	Very high	95.5	Very high	5 Å²	5	50.8 Å²	50.8	4%	0.041	29%	0.286	C	S	.	.			trans	-56.5	122.5	-177.2	0	0	0	0	0	111.3	E317 D320	E317-A324 VanDerWaalsContact O-CA 3.31Å; E317-A324 WeakPolarHBondContact O-CA 3.46Å; E317-A324 WeakPolarHBondContact O-CB 3.4Å; E317-A324 PolarHBondContact O-N 3.02Å; D320-A324 WeakPolarHBondContact O-CB 3.39Å; D320-A324 PolarHBondContact O-N 3Å
325	D	97.8	Very high	95.3	Very high	24 Å²	24	49.6 Å²	49.6	13%	0.128	27%	0.272	C	S	.	.			trans	-108.2	78.5	167.4	-162.8	-31.7	0	0	0	109	G74 K75 T78 K323 S327 K333	G74-D325 CarbonylContact C-O 3.56Å; G74-D325 WeakPolarHBondContact CA-O 3.43Å; K75-D325 HydrophobicContact CB-CB 4.41Å; K75-D325 PolarHBondContact N-O 2.86Å; T78-D325 PolarHBondContact OG1-N 3.06Å; K323-D325 PolarHBondContact O-N 3.16Å; D325-S327 VanDerWaalsContact C-N 3.26Å; D325-S327 WeakPolarHBondContact OD1-CB 3.21Å; D325-S327 PolarHBondContact OD1-N 2.83Å; D325-S327 PolarHBondContact OD1-OG 2.97Å; D325-K333 VanDerWaalsContact OD2-CE 3.31Å; D325-K333 WeakPolarHBondContact OD2-CE 3.42Å; D325-K333 IonicContact OD2-NZ 2.79Å; D325-K333 PolarHBondContact OD2-NZ 2.81Å
326	L	97.4	Very high	95.3	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.016	27%	0.274	C	S	.	.			trans	-93.6	31.6	172.2	-62.1	-179.7	0	0	0	112	V70 G73 T78 N328 I329	V70-L326 HydrophobicContact CG1-CD2 4.35Å; G73-L326 CarbonylContact O-C 3.39Å; G73-L326 VanDerWaalsContact O-CA 3.28Å; G73-L326 WeakPolarHBondContact O-CA 3.47Å; T78-L326 HydrophobicContact CG2-CD2 3.86Å; L326-N328 PolarHBondContact O-N 3Å; L326-I329 HydrophobicContact CB-CD1 3.96Å; L326-I329 HydrophobicContact CB-CG1 4.2Å; L326-I329 HydrophobicContact CD1-CD1 4.08Å; L326-I329 HydrophobicContact CD2-CD1 4.21Å; L326-I329 HydrophobicContact CG-CD1 4.32Å; L326-I329 WeakPolarHBondContact O-CB 3.24Å; L326-I329 PolarHBondContact O-N 2.98Å
327	S	96.9	Very high	95.2	Very high	15 Å²	15	47.2 Å²	47.2	11%	0.105	26%	0.256	C	S	.	.	H	α-helix	trans	-66.3	-19.4	-173.1	59.9	0	0	0	0	114.1	K75 D325 I329 G331 K332	K75-S327 WeakPolarHBondContact CD-OG 2.98Å; K75-S327 WeakPolarHBondContact CE-OG 3.37Å; D325-S327 VanDerWaalsContact C-N 3.26Å; D325-S327 WeakPolarHBondContact OD1-CB 3.21Å; D325-S327 PolarHBondContact OD1-N 2.83Å; D325-S327 PolarHBondContact OD1-OG 2.97Å; S327-I329 VanDerWaalsContact C-N 3.26Å; S327-I329 PolarHBondContact O-N 2.92Å; S327-G331 WeakPolarHBondContact O-CA 3.11Å; S327-G331 PolarHBondContact O-N 2.9Å; S327-K332 WeakPolarHBondContact CA-O 3.15Å
328	N	97.5	Very high	95.1	Very high	64 Å²	64	45.2 Å²	45.2	34%	0.342	25%	0.246	S	C	.	.	H	α-helix	trans	-72.3	-20.9	171.7	-68.8	-23.3	0	0	0	112.3	L72 G73 G74 K75 A132 F135 L326	L72-N328 PolarHBondContact O-ND2 3.06Å; G73-N328 WeakPolarHBondContact O-CB 3.23Å; G73-N328 PolarHBondContact O-N 3.19Å; G73-N328 VanDerWaalsContact O-N 3.15Å; G74-N328 PolarHBondContact O-ND2 3.05Å; K75-N328 WeakPolarHBondContact CE-OD1 3.32Å; A132-N328 WeakPolarHBondContact CB-O 3.45Å; F135-N328 WeakPolarHBondContact CB-O 3.48Å; L326-N328 PolarHBondContact O-N 3Å
329	I	97.1	Very high	95	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-70.4	-39.1	177.5	-59.2	-170.9	0	0	0	111.2	G73 L123 F131 A132 F135 L326 S327 L335	G73-I329 VanDerWaalsContact CA-CG1 3.49Å; L123-I329 HydrophobicContact CD2-CD1 4.48Å; L123-I329 HydrophobicContact CD2-CG2 4.16Å; F131-I329 CarbonylContact C-O 3.58Å; F131-I329 VanDerWaalsContact CA-O 3.28Å; F131-I329 WeakPolarHBondContact CA-O 3.26Å; F131-I329 HydrophobicContact CD1-CG2 3.66Å; F131-I329 HydrophobicContact CE1-CG2 3.92Å; A132-I329 PolarHBondContact N-O 3.48Å; F135-I329 HydrophobicContact CD1-CG2 4.22Å; F135-I329 HydrophobicContact CD2-CG1 4.18Å; F135-I329 HydrophobicContact CE1-CB 4.47Å; F135-I329 HydrophobicContact CE1-CG1 4.24Å; F135-I329 HydrophobicContact CE1-CG2 4Å; F135-I329 HydrophobicContact CE2-CD1 4.39Å; F135-I329 HydrophobicContact CE2-CG1 3.82Å; F135-I329 HydrophobicContact CZ-CD1 4.12Å; F135-I329 HydrophobicContact CZ-CG1 3.85Å; F135-I329 HydrophobicContact CZ-CG2 4.41Å; L326-I329 HydrophobicContact CB-CD1 3.96Å; L326-I329 HydrophobicContact CB-CG1 4.2Å; L326-I329 HydrophobicContact CD1-CD1 4.08Å; L326-I329 HydrophobicContact CD2-CD1 4.21Å; L326-I329 HydrophobicContact CG-CD1 4.32Å; L326-I329 WeakPolarHBondContact O-CB 3.24Å; L326-I329 PolarHBondContact O-N 2.98Å; S327-I329 VanDerWaalsContact C-N 3.26Å; S327-I329 PolarHBondContact O-N 2.92Å; I329-L335 HydrophobicContact CB-CD2 3.93Å; I329-L335 HydrophobicContact CD1-CD2 4.35Å; I329-L335 HydrophobicContact CG2-CD2 3.63Å
330	S	93.8	Very high	95.1	Very high	17 Å²	17	44.2 Å²	44.2	12%	0.119	24%	0.24	C	C	.	.	H	α-helix	trans	-146.7	-3.2	-167.5	68.2	0	0	0	0	116.7	S130 K332	S130-S330 WeakPolarHBondContact O-CA 3.47Å; S130-S330 VanDerWaalsContact O-CB 3.23Å; S130-S330 WeakPolarHBondContact O-CB 3.3Å; S330-K332 PolarHBondContact O-N 2.8Å; S330-K332 PolarHBondContact OG-N 2.84Å
331	G	91.7	Very high	95.2	Very high	64 Å²	64	42.5 Å²	42.5	66%	0.66	23%	0.23	S	C	*	.	S	Bend	trans	78.4	-6.2	-171.2	0	0	0	0	0	114.8	S327	S327-G331 WeakPolarHBondContact O-CA 3.11Å; S327-G331 PolarHBondContact O-N 2.9Å
332	K	86.9	Confident	95.3	Very high	90 Å²	90	37.2 Å²	37.2	39%	0.391	21%	0.208	S	C	.	.			trans	-106.4	152.5	179.5	-54.2	-179.6	178.1	175.9	0	112.1	S128 S327 S330 D334	S128-K332 PolarHBondContact O-NZ 3.36Å; S327-K332 WeakPolarHBondContact CA-O 3.15Å; S330-K332 PolarHBondContact O-N 2.8Å; S330-K332 PolarHBondContact OG-N 2.84Å; K332-D334 WeakPolarHBondContact CB-OD1 3.46Å
333	K	87.4	Confident	95.4	Very high	141 Å²	141	32.3 Å²	32.3	61%	0.613	17%	0.173	S	C	*	.	S	Bend	trans	-100.5	2.2	178.8	-68.9	-165.3	170.8	-152.6	0	114.3	D325 L335	D325-K333 VanDerWaalsContact OD2-CE 3.31Å; D325-K333 WeakPolarHBondContact OD2-CE 3.42Å; D325-K333 IonicContact OD2-NZ 2.79Å; D325-K333 PolarHBondContact OD2-NZ 2.81Å; K333-L335 VanDerWaalsContact C-N 3.34Å
334	D	88.9	Confident	95.4	Very high	95 Å²	95	26.8 Å²	26.8	51%	0.508	15%	0.149	S	C	.	.	S	Bend	trans	-88.3	-5.8	177.2	61.3	-18.2	0	0	0	112.9	K332	K332-D334 WeakPolarHBondContact CB-OD1 3.46Å
335	L	95.1	Very high	95.4	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.026	15%	0.148	C	C	.	.			trans	-86.1	129.2	178	-166.2	69.9	0	0	0	110.9	V129 A187 I329 K333	V129-L335 HydrophobicContact CG2-CD1 4.47Å; V129-L335 HydrophobicContact CG2-CD2 4.29Å; A187-L335 HydrophobicContact CB-CD1 3.98Å; A187-L335 HydrophobicContact CB-CD2 4.2Å; A187-L335 HydrophobicContact CB-CG 4.09Å; I329-L335 HydrophobicContact CB-CD2 3.93Å; I329-L335 HydrophobicContact CD1-CD2 4.35Å; I329-L335 HydrophobicContact CG2-CD2 3.63Å; K333-L335 VanDerWaalsContact C-N 3.34Å
336	Y	96.9	Very high	95.4	Very high	14 Å²	14	25.7 Å²	25.7	6%	0.055	14%	0.143	C	C	.	.			trans	-134.1	166.6	175.7	72.6	-73.3	0	0	0	110.1	N183 D185 G186 A187 K321 S338	N183-Y336 WeakPolarHBondContact CB-OH 3.42Å; D185-Y336 WeakPolarHBondContact OD1-CE1 3.3Å; D185-Y336 PolarHBondContact OD1-OH 3.01Å; G186-Y336 CarbonylContact C-O 3.53Å; G186-Y336 WeakPolarHBondContact CA-O 3.41Å; A187-Y336 PolarHBondContact N-O 3.39Å; K321-Y336 HydrophobicContact CB-CD1 3.82Å; K321-Y336 HydrophobicContact CB-CD2 4.3Å; K321-Y336 HydrophobicContact CB-CE1 4.08Å; K321-Y336 HydrophobicContact CB-CE2 4.49Å; K321-Y336 HydrophobicContact CB-CG 3.95Å; K321-Y336 HydrophobicContact CD-CD1 4.16Å; K321-Y336 HydrophobicContact CD-CE1 3.84Å; K321-Y336 HydrophobicContact CG-CD1 3.72Å; K321-Y336 HydrophobicContact CG-CE1 3.93Å; K321-Y336 HydrophobicContact CG-CG 4.32Å; Y336-S338 PolarHBondContact O-N 2.92Å
337	L	97.3	Very high	95.4	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	98.9	178.9	-175.1	64.4	0	0	0	110.2	V70 I189 L315 A318 V340	V70-L337 HydrophobicContact CG2-CD2 3.84Å; I189-L337 HydrophobicContact CB-CD1 4.46Å; I189-L337 HydrophobicContact CD1-CD1 3.77Å; I189-L337 HydrophobicContact CG1-CD1 3.85Å; L315-L337 HydrophobicContact CD2-CD2 4.12Å; A318-L337 HydrophobicContact CB-CB 4.42Å; A318-L337 VanDerWaalsContact O-CB 3.28Å; A318-L337 WeakPolarHBondContact O-CB 3.42Å; A318-L337 PolarHBondContact O-N 3.3Å; L337-V340 HydrophobicContact CD1-CG2 4.04Å; L337-V340 HydrophobicContact CD2-CG2 3.61Å; L337-V340 HydrophobicContact CG-CG2 3.94Å
338	S	95.8	Very high	95.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-39	-179.2	54.1	0	0	0	0	112.6	N183 A187 M188 Q307 Y336	N183-S338 WeakPolarHBondContact O-CB 3.07Å; A187-S338 PolarHBondContact O-N 3.01Å; A187-S338 PolarHBondContact O-OG 2.82Å; A187-S338 VanDerWaalsContact O-OG 3.07Å; M188-S338 WeakPolarHBondContact CG-OG 3.47Å; Q307-S338 PolarHBondContact NE2-O 2.84Å; Y336-S338 PolarHBondContact O-N 2.92Å
339	N	96.3	Very high	95.4	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.016	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	150.8	-176.3	-55.9	86.5	0	0	0	112.3	Q182 M188 I189 N305 F341	Q182-N339 PolarHBondContact O-OD1 3.14Å; M188-N339 WeakPolarHBondContact CA-O 3.31Å; M188-N339 HydrophobicContact CB-CB 4.17Å; M188-N339 HydrophobicContact CG-CB 3.94Å; M188-N339 HydrophobicContact SD-CB 4.46Å; I189-N339 PolarHBondContact N-O 2.88Å; N305-N339 PolarHBondContact ND2-ND2 3.32Å; N339-F341 HydrophobicContact CB-CD2 3.82Å; N339-F341 HydrophobicContact CB-CE2 3.54Å; N339-F341 HydrophobicContact CB-CZ 4.16Å
340	V	97.8	Very high	95.5	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	84.3	167.7	-175.3	0	0	0	0	107.4	I189 N305 L306 Q307 L310 L337 H342	I189-V340 HydrophobicContact CB-CG1 4.3Å; I189-V340 HydrophobicContact CB-CG2 4.46Å; I189-V340 HydrophobicContact CG2-CG1 4.13Å; I189-V340 CarbonylContact O-C 3.44Å; I189-V340 WeakPolarHBondContact O-CA 3.35Å; N305-V340 CarbonylContact C-O 3.52Å; N305-V340 WeakPolarHBondContact CA-O 3.48Å; N305-V340 PolarHBondContact OD1-N 2.89Å; L306-V340 HydrophobicContact CB-CB 4.1Å; L306-V340 HydrophobicContact CB-CG1 4.1Å; L306-V340 HydrophobicContact CD1-CG1 4.49Å; L306-V340 PolarHBondContact N-O 2.64Å; Q307-V340 HydrophobicContact CB-CG2 4.41Å; L310-V340 HydrophobicContact CD1-CB 4.4Å; L310-V340 HydrophobicContact CD1-CG1 4.26Å; L310-V340 HydrophobicContact CD1-CG2 4.18Å; L337-V340 HydrophobicContact CD1-CG2 4.04Å; L337-V340 HydrophobicContact CD2-CG2 3.61Å; L337-V340 HydrophobicContact CG-CG2 3.94Å; V340-H342 PolarHBondContact O-N 3Å
341	F	98.1	Very high	95.6	Very high	10 Å²	10	26.2 Å²	26.2	4%	0.044	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	118.5	176	-69.3	-70.5	0	0	0	109.8	I177 T178 M188 I189 V190 N191 H304 N305 N339	I177-F341 HydrophobicContact CG2-CB 3.77Å; I177-F341 HydrophobicContact CG2-CD1 3.94Å; I177-F341 HydrophobicContact CG2-CG 3.85Å; T178-F341 HydrophobicContact CG2-CE1 4.39Å; T178-F341 HydrophobicContact CG2-CE2 4.48Å; T178-F341 HydrophobicContact CG2-CZ 4.05Å; M188-F341 HydrophobicContact SD-CE2 4.19Å; I189-F341 PolarHBondContact O-N 2.87Å; V190-F341 HydrophobicContact CB-CB 4.49Å; V190-F341 HydrophobicContact CG1-CB 4.08Å; V190-F341 HydrophobicContact CG2-CB 4.38Å; V190-F341 HydrophobicContact CG2-CD2 4.14Å; N191-F341 PolarHBondContact N-O 2.78Å; N191-F341 PolarHBondContact ND2-O 3.02Å; H304-F341 CarbonylContact O-C 3.48Å; H304-F341 WeakPolarHBondContact O-CA 3.5Å; N305-F341 HydrophobicContact CB-CD1 4.22Å; N305-F341 HydrophobicContact CB-CE1 4.08Å; N339-F341 HydrophobicContact CB-CD2 3.82Å; N339-F341 HydrophobicContact CB-CE2 3.54Å; N339-F341 HydrophobicContact CB-CZ 4.16Å
342	H	98.4	Very high	95.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	94.9	174	-170.6	95.6	0	0	0	107.9	S59 M193 H304 L306 V340	S59-H342 PolarHBondContact N-NE2 2.96Å; M193-H342 WeakPolarHBondContact CE-CE1 3.32Å; M193-H342 VanDerWaalsContact CE-NE2 3.25Å; M193-H342 WeakPolarHBondContact CE-NE2 3.47Å; H304-H342 PolarHBondContact N-O 3.32Å; H304-H342 PolarHBondContact O-N 3.45Å; L306-H342 HydrophobicContact CD1-CB 3.46Å; L306-H342 VanDerWaalsContact CD1-CB 3.46Å; L306-H342 HydrophobicContact CD2-CB 4.46Å; L306-H342 HydrophobicContact CG-CB 3.77Å; V340-H342 PolarHBondContact O-N 3Å
343	A	98.1	Very high	96.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.2	-171.6	0	0	0	0	0	110.9	L174 I177 N191 A192 M193 V302	L174-A343 HydrophobicContact CD1-CB 4.48Å; L174-A343 HydrophobicContact CD2-CB 3.74Å; L174-A343 WeakPolarHBondContact CD2-O 3.4Å; I177-A343 HydrophobicContact CB-CB 4.41Å; I177-A343 HydrophobicContact CD1-CB 4.15Å; I177-A343 HydrophobicContact CG1-CB 3.84Å; I177-A343 HydrophobicContact CG2-CB 4.18Å; N191-A343 PolarHBondContact O-N 3.07Å; A192-A343 WeakPolarHBondContact CA-O 3.39Å; M193-A343 WeakPolarHBondContact CE-O 3.45Å; M193-A343 PolarHBondContact N-O 2.69Å; V302-A343 CarbonylContact O-C 3.59Å; V302-A343 VanDerWaalsContact O-CA 3.26Å; V302-A343 WeakPolarHBondContact O-CA 3.44Å
344	S	97.2	Very high	96.7	Very high	1 Å²	1	19 Å²	19	1%	0.007	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135	-176.4	-169	0	0	0	0	111.4	M193 V302 Y391	M193-S344 WeakPolarHBondContact O-CA 3.33Å; V302-S344 PolarHBondContact N-O 2.93Å; V302-S344 PolarHBondContact O-N 2.86Å; S344-Y391 PolarHBondContact OG-OH 3.06Å; S344-Y391 VanDerWaalsContact OG-OH 3.08Å
345	A	97.6	Very high	97	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.008	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.5	163.2	0	0	0	0	0	109.6	K173 L174 M193 F194 F195 L300 E301	K173-A345 HydrophobicContact CB-CB 4.13Å; K173-A345 VanDerWaalsContact O-CB 3.3Å; K173-A345 WeakPolarHBondContact O-CB 3.31Å; L174-A345 HydrophobicContact CB-CB 4.23Å; L174-A345 HydrophobicContact CD1-CB 4.39Å; M193-A345 PolarHBondContact O-N 3.33Å; F194-A345 CarbonylContact C-O 3.51Å; F194-A345 WeakPolarHBondContact CA-O 3.46Å; F194-A345 HydrophobicContact CD2-CB 3.87Å; F195-A345 PolarHBondContact N-O 3.36Å; L300-A345 CarbonylContact O-C 3.52Å; L300-A345 VanDerWaalsContact O-CA 3.24Å; L300-A345 WeakPolarHBondContact O-CA 3.49Å; E301-A345 HydrophobicContact CG-CB 4.41Å
346	L	97.2	Very high	96.9	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.4	173.7	172.3	67.8	0	0	0	109.2	F195 L300 L348 F379	F195-L346 HydrophobicContact CD1-CD1 3.58Å; F195-L346 HydrophobicContact CE1-CD1 4.15Å; F195-L346 WeakPolarHBondContact O-CA 3.2Å; L300-L346 HydrophobicContact CB-CB 4.39Å; L300-L346 PolarHBondContact N-O 3.18Å; L300-L346 PolarHBondContact O-N 2.81Å; L346-L348 HydrophobicContact CD1-CD2 4.06Å; L346-L348 HydrophobicContact CG-CD2 4.34Å; L346-F379 HydrophobicContact CD2-CE1 4.03Å; L346-F379 HydrophobicContact CD2-CE2 4.22Å; L346-F379 HydrophobicContact CD2-CZ 3.7Å
347	E	97.4	Very high	96.7	Very high	17 Å²	17	25.8 Å²	25.8	8%	0.079	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	109.1	177.7	-173.6	176.3	137	0	0	110.9	K173 F194 F195 K196 P197 I298	K173-E347 WeakPolarHBondContact CE-OE2 3.44Å; K173-E347 IonicContact NZ-OE1 3.86Å; K173-E347 IonicContact NZ-OE2 2.96Å; K173-E347 PolarHBondContact NZ-OE2 3.28Å; F194-E347 HydrophobicContact CE2-CB 3.9Å; F194-E347 HydrophobicContact CZ-CB 4.45Å; F195-E347 PolarHBondContact O-N 2.66Å; K196-E347 HydrophobicContact CB-CB 4.24Å; K196-E347 HydrophobicContact CD-CG 4.3Å; K196-E347 VanDerWaalsContact CE-OE1 3.29Å; K196-E347 WeakPolarHBondContact CE-OE1 3.42Å; K196-E347 HydrophobicContact CG-CB 4.19Å; K196-E347 HydrophobicContact CG-CG 4.39Å; K196-E347 IonicContact NZ-OE1 4Å; K196-E347 PolarHBondContact NZ-OE1 3Å; P197-E347 VanDerWaalsContact CD-O 3.32Å; P197-E347 WeakPolarHBondContact CD-O 3.38Å; I298-E347 CarbonylContact O-C 3.53Å; I298-E347 VanDerWaalsContact O-CA 3.3Å; I298-E347 WeakPolarHBondContact O-CA 3.44Å
348	L	97.7	Very high	96.6	Very high	1 Å²	1	29 Å²	29	1%	0.005	17%	0.169	C	C	.	.			trans	-91.9	119.6	170	-54.4	-175.7	0	0	0	108.5	P197 W199 M226 M256 L295 K297 I298 L346	P197-L348 HydrophobicContact CG-CD2 3.55Å; W199-L348 HydrophobicContact CH2-CD2 4.44Å; W199-L348 HydrophobicContact CZ2-CD2 4.45Å; M226-L348 HydrophobicContact CE-CB 4.36Å; M256-L348 HydrophobicContact CE-CD2 4.01Å; M256-L348 HydrophobicContact SD-CD2 4.09Å; L295-L348 HydrophobicContact CD2-CD1 4.08Å; L295-L348 HydrophobicContact CG-CD1 4.32Å; K297-L348 WeakPolarHBondContact CA-O 3.28Å; K297-L348 VanDerWaalsContact CG-O 3.28Å; K297-L348 WeakPolarHBondContact CG-O 3.41Å; I298-L348 HydrophobicContact CD1-CD1 3.81Å; I298-L348 HydrophobicContact CD1-CG 4.09Å; I298-L348 HydrophobicContact CG1-CB 3.95Å; I298-L348 HydrophobicContact CG1-CD1 3.82Å; I298-L348 HydrophobicContact CG1-CG 3.69Å; I298-L348 PolarHBondContact N-O 2.91Å; I298-L348 PolarHBondContact O-N 2.7Å; L346-L348 HydrophobicContact CD1-CD2 4.06Å; L346-L348 HydrophobicContact CG-CD2 4.34Å
349	D	97.3	Very high	96.4	Very high	18 Å²	18	30.5 Å²	30.5	10%	0.096	18%	0.177	C	C	.	.			trans	-138.5	177	-175.6	-150	-22.8	0	0	0	111.3	K196 W199 M226 K297 D351	K196-D349 IonicContact NZ-OD2 2.7Å; K196-D349 PolarHBondContact NZ-OD2 2.74Å; W199-D349 PolarHBondContact NE1-O 3.09Å; M226-D349 WeakPolarHBondContact CE-O 2.94Å; M226-D349 VanDerWaalsContact SD-O 3.34Å; K297-D349 WeakPolarHBondContact CE-OD1 3.41Å; K297-D349 IonicContact NZ-OD1 2.69Å; K297-D349 PolarHBondContact NZ-OD1 3.37Å; K297-D349 IonicContact NZ-OD2 2.86Å; K297-D349 PolarHBondContact NZ-OD2 3.32Å; D349-D351 VanDerWaalsContact C-N 3.3Å; D349-D351 PolarHBondContact O-N 3.16Å
350	V	98.2	Very high	96.2	Very high	12 Å²	12	35.2 Å²	35.2	7%	0.073	20%	0.197	C	C	.	.	S	Bend	trans	-76.4	-16.4	-177.4	-62.2	0	0	0	0	114	F203 E205 V208 M226	F203-V350 HydrophobicContact CB-CB 3.79Å; F203-V350 HydrophobicContact CB-CG1 3.89Å; F203-V350 PolarHBondContact N-O 2.81Å; E205-V350 HydrophobicContact CG-CG2 4.04Å; V208-V350 HydrophobicContact CG2-CG1 3.72Å; M226-V350 HydrophobicContact CB-CG1 4.03Å; M226-V350 HydrophobicContact SD-CG1 3.94Å
351	D	96.5	Very high	95.8	Very high	68 Å²	68	38.8 Å²	38.8	36%	0.364	23%	0.234	S	C	.	.			trans	-59.6	133.4	-171.6	-65.9	-37.8	0	0	0	113.5	K196 W199 D349	K196-D351 WeakPolarHBondContact CE-OD2 3.41Å; K196-D351 IonicContact NZ-OD2 3.28Å; K196-D351 PolarHBondContact NZ-OD2 2.94Å; W199-D351 PolarHBondContact N-O 3.43Å; W199-D351 VanDerWaalsContact N-O 3.08Å; D349-D351 VanDerWaalsContact C-N 3.3Å; D349-D351 PolarHBondContact O-N 3.16Å
352	G	96.4	Very high	95.6	Very high	12 Å²	12	40.8 Å²	40.8	12%	0.124	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-175.7	-175.9	179.4	0	0	0	0	0	111.6	H198 W199	H198-G352 VanDerWaalsContact CE1-CA 3.47Å; H198-G352 WeakPolarHBondContact CE1-CA 3.37Å; H198-G352 WeakPolarHBondContact NE2-CA 3.26Å; W199-G352 CarbonylContact O-C 3.52Å; W199-G352 WeakPolarHBondContact O-CA 3.45Å
353	N	96.3	Very high	95.4	Very high	32 Å²	32	47.2 Å²	47.2	17%	0.171	28%	0.278	C	S	.	.			trans	-75.2	153.6	175.9	-44.8	-53.8	0	0	0	111.9	N114 H198 W199 D200 R202 G250	N114-N353 PolarHBondContact ND2-OD1 3.35Å; H198-N353 PolarHBondContact NE2-N 2.77Å; H198-N353 PolarHBondContact NE2-OD1 2.94Å; H198-N353 VanDerWaalsContact NE2-OD1 3.11Å; W199-N353 PolarHBondContact O-N 3.1Å; D200-N353 VanDerWaalsContact O-CB 3.29Å; D200-N353 WeakPolarHBondContact O-CB 3.48Å; D200-N353 PolarHBondContact O-ND2 2.97Å; R202-N353 WeakPolarHBondContact CG-O 3.37Å; R202-N353 PolarHBondContact N-O 3.22Å; G250-N353 PolarHBondContact O-ND2 3.35Å
354	P	95.7	Very high	95.1	Very high	100 Å²	100	54.4 Å²	54.4	65%	0.649	31%	0.309	S	S	*	.			trans	-62.6	153.2	164.2	29.7	-36.3	0	0	0	110.9
355	Y	95.1	Very high	94.9	Very high	50 Å²	50	55.1 Å²	55.1	20%	0.196	31%	0.312	C	S	.	.			trans	-139.1	165.5	177.9	61.4	-85.3	0	0	0	109.3	E201 R202 T357 F360	E201-Y355 HydrophobicContact CB-CD1 3.87Å; E201-Y355 HydrophobicContact CB-CG 4.11Å; E201-Y355 HydrophobicContact CG-CG 4.34Å; R202-Y355 HydrophobicContact CG-CD1 4.34Å; R202-Y355 HydrophobicContact CG-CE1 4.1Å; R202-Y355 VanDerWaalsContact O-CE1 3.27Å; R202-Y355 WeakPolarHBondContact O-CE1 3.41Å; Y355-T357 HydrophobicContact CE2-CG2 4.37Å; Y355-T357 PolarHBondContact O-N 2.78Å; Y355-F360 AromaticContact CE2-CE2 3.74Å; Y355-F360 HydrophobicContact CE2-CE2 3.74Å; Y355-F360 AromaticContact CE2-CZ 3.84Å; Y355-F360 HydrophobicContact CE2-CZ 3.84Å; Y355-F360 WeakPolarHBondContact OH-CZ 3.41Å
356	D	94.3	Very high	94.7	Very high	110 Å²	110	62.9 Å²	62.9	59%	0.588	34%	0.341	S	S	*	.			trans	-74	114.4	177.7	-177.5	4.7	0	0	0	110.9	S358 I359	D356-S358 PolarHBondContact O-N 2.88Å; D356-S358 WeakPolarHBondContact OD1-CB 3.49Å; D356-S358 PolarHBondContact OD1-N 3.36Å; D356-S358 PolarHBondContact OD1-OG 2.89Å; D356-S358 VanDerWaalsContact OD1-OG 3.07Å; D356-S358 PolarHBondContact OD2-OG 2.87Å; D356-I359 VanDerWaalsContact O-CG2 3.29Å; D356-I359 WeakPolarHBondContact O-CG2 3.41Å
357	T	93	Very high	94.6	Very high	96 Å²	96	70.2 Å²	70.2	59%	0.589	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-73.4	-10.5	179.6	55.3	0	0	0	0	113.4	Y355 I359 F360	Y355-T357 HydrophobicContact CE2-CG2 4.37Å; Y355-T357 PolarHBondContact O-N 2.78Å; T357-I359 PolarHBondContact O-N 2.92Å; T357-I359 VanDerWaalsContact O-N 3.14Å; T357-F360 HydrophobicContact CG2-CE2 4.45Å; T357-F360 WeakPolarHBondContact O-CD2 3.33Å; T357-F360 PolarHBondContact O-N 2.88Å
358	S	93.6	Very high	94.6	Very high	71 Å²	71	71.8 Å²	71.8	50%	0.497	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-60	-22.4	174.8	79.2	0	0	0	0	112.6	D356 F360 G361	D356-S358 PolarHBondContact O-N 2.88Å; D356-S358 WeakPolarHBondContact OD1-CB 3.49Å; D356-S358 PolarHBondContact OD1-N 3.36Å; D356-S358 PolarHBondContact OD1-OG 2.89Å; D356-S358 VanDerWaalsContact OD1-OG 3.07Å; D356-S358 PolarHBondContact OD2-OG 2.87Å; S358-F360 PolarHBondContact O-N 2.91Å; S358-F360 VanDerWaalsContact O-N 3.12Å; S358-G361 PolarHBondContact O-N 2.84Å
359	I	92.9	Very high	94.6	Very high	33 Å²	33	75.4 Å²	75.4	17%	0.169	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-55.1	-31.1	178.5	-163.1	170	0	0	0	113.3	L231 D356 T357 G361 T362 L365	L231-I359 HydrophobicContact CD1-CD1 4.05Å; L231-I359 HydrophobicContact CG-CD1 4.25Å; D356-I359 VanDerWaalsContact O-CG2 3.29Å; D356-I359 WeakPolarHBondContact O-CG2 3.41Å; T357-I359 PolarHBondContact O-N 2.92Å; T357-I359 VanDerWaalsContact O-N 3.14Å; I359-G361 PolarHBondContact O-N 3.16Å; I359-T362 WeakPolarHBondContact O-CB 3.46Å; I359-T362 PolarHBondContact O-N 3.1Å; I359-T362 VanDerWaalsContact O-N 3.13Å; I359-T362 PolarHBondContact O-OG1 3.29Å; I359-L365 HydrophobicContact CB-CD1 4.42Å; I359-L365 HydrophobicContact CG1-CD1 3.95Å; I359-L365 HydrophobicContact CG1-CG 4.25Å; I359-L365 HydrophobicContact CG2-CD1 3.99Å
360	F	91.7	Very high	94.6	Very high	101 Å²	101	79.6 Å²	79.6	44%	0.443	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-67.8	-21.7	178.1	-61.8	-62.6	0	0	0	113.7	T229 Y355 T357 S358 T362 L365	T229-F360 WeakPolarHBondContact O-CE1 3.4Å; Y355-F360 AromaticContact CE2-CE2 3.74Å; Y355-F360 HydrophobicContact CE2-CE2 3.74Å; Y355-F360 AromaticContact CE2-CZ 3.84Å; Y355-F360 HydrophobicContact CE2-CZ 3.84Å; Y355-F360 WeakPolarHBondContact OH-CZ 3.41Å; T357-F360 HydrophobicContact CG2-CE2 4.45Å; T357-F360 WeakPolarHBondContact O-CD2 3.33Å; T357-F360 PolarHBondContact O-N 2.88Å; S358-F360 PolarHBondContact O-N 2.91Å; S358-F360 VanDerWaalsContact O-N 3.12Å; F360-T362 VanDerWaalsContact C-N 3.32Å; F360-L365 HydrophobicContact CD1-CD1 3.59Å; F360-L365 HydrophobicContact CE1-CD1 3.97Å; F360-L365 HydrophobicContact CG-CD1 4.42Å
361	G	89.8	Confident	94.7	Very high	77 Å²	77	79 Å²	79	79%	0.794	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-83.8	-5	174.2	0	0	0	0	0	114	S358 I359	S358-G361 PolarHBondContact O-N 2.84Å; I359-G361 PolarHBondContact O-N 3.16Å
362	T	92.9	Very high	94.8	Very high	52 Å²	52	78.3 Å²	78.3	32%	0.319	42%	0.419	S	S	.	.	S	Bend	trans	-89.7	155.8	-176.3	74.3	0	0	0	0	111.9	I359 F360 K364	I359-T362 WeakPolarHBondContact O-CB 3.46Å; I359-T362 PolarHBondContact O-N 3.1Å; I359-T362 VanDerWaalsContact O-N 3.13Å; I359-T362 PolarHBondContact O-OG1 3.29Å; F360-T362 VanDerWaalsContact C-N 3.32Å; T362-K364 PolarHBondContact O-N 3.05Å; T362-K364 WeakPolarHBondContact OG1-CB 3.32Å; T362-K364 PolarHBondContact OG1-N 3.43Å
363	E	93.8	Very high	94.9	Very high	136 Å²	136	77.8 Å²	77.8	64%	0.636	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-66.8	-17	173.9	-57.2	-161.4	136.1	0	0	112.9	L365 R366	E363-L365 PolarHBondContact O-N 3.25Å; E363-R366 WeakPolarHBondContact O-CB 3.31Å; E363-R366 PolarHBondContact O-N 3.13Å; E363-R366 VanDerWaalsContact O-N 3.13Å; E363-R366 IonicContact OE1-CZ 3.22Å; E363-R366 IonicContact OE1-NH1 3.55Å; E363-R366 PolarHBondContact OE1-NH1 3.34Å; E363-R366 IonicContact OE1-NH2 2.67Å
364	K	92.8	Very high	95	Very high	151 Å²	151	77.9 Å²	77.9	66%	0.657	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-62	-25.7	-177.5	-62.2	-174.7	178.5	-179.2	0	113.5	L231 A290 T362	L231-K364 HydrophobicContact CD1-CB 4.42Å; L231-K364 HydrophobicContact CD1-CD 4.15Å; L231-K364 HydrophobicContact CD2-CB 4.35Å; A290-K364 WeakPolarHBondContact CB-O 3.31Å; T362-K364 PolarHBondContact O-N 3.05Å; T362-K364 WeakPolarHBondContact OG1-CB 3.32Å; T362-K364 PolarHBondContact OG1-N 3.43Å
365	L	93.4	Very high	95.1	Very high	16 Å²	16	73.5 Å²	73.5	8%	0.084	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-100.5	4.7	180	-66.5	-173.8	0	0	0	113.9	T229 G230 L231 A290 I359 F360 E363	T229-L365 HydrophobicContact CG2-CD2 4.49Å; G230-L365 VanDerWaalsContact C-CD2 3.5Å; L231-L365 HydrophobicContact CD2-CD2 3.85Å; L231-L365 HydrophobicContact CG-CD2 3.91Å; A290-L365 HydrophobicContact CB-CD2 4.11Å; I359-L365 HydrophobicContact CB-CD1 4.42Å; I359-L365 HydrophobicContact CG1-CD1 3.95Å; I359-L365 HydrophobicContact CG1-CG 4.25Å; I359-L365 HydrophobicContact CG2-CD1 3.99Å; F360-L365 HydrophobicContact CD1-CD1 3.59Å; F360-L365 HydrophobicContact CE1-CD1 3.97Å; F360-L365 HydrophobicContact CG-CD1 4.42Å; E363-L365 PolarHBondContact O-N 3.25Å
366	R	92.3	Very high	95.3	Very high	163 Å²	163	71.4 Å²	71.4	62%	0.615	38%	0.377	S	S	*	.	S	Bend	trans	-67.9	144	174.5	-71.4	-176.2	176.9	164.7	6	110.6	E363	E363-R366 WeakPolarHBondContact O-CB 3.31Å; E363-R366 PolarHBondContact O-N 3.13Å; E363-R366 VanDerWaalsContact O-N 3.13Å; E363-R366 IonicContact OE1-CZ 3.22Å; E363-R366 IonicContact OE1-NH1 3.55Å; E363-R366 PolarHBondContact OE1-NH1 3.34Å; E363-R366 IonicContact OE1-NH2 2.67Å
367	N	94.5	Very high	95.5	Very high	158 Å²	158	66.2 Å²	66.2	85%	0.845	35%	0.349	S	S	*	.	S	Bend	trans	51.1	57.1	175.9	-56.1	-32.5	0	0	0	113.8
368	P	97.8	Very high	95.8	Very high	51 Å²	51	61.6 Å²	61.6	33%	0.331	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-63.6	146.2	-178.2	29.1	-35.4	0	0	0	111.7	T229 A290 A292	T229-P368 HydrophobicContact CG2-CB 3.93Å; T229-P368 HydrophobicContact CG2-CG 4.09Å; A290-P368 HydrophobicContact CB-CB 3.98Å; A290-P368 WeakPolarHBondContact O-CA 3.47Å; A292-P368 HydrophobicContact CB-CB 3.98Å; A292-P368 HydrophobicContact CB-CG 3.95Å
369	K	98.1	Very high	96	Very high	77 Å²	77	58.3 Å²	58.3	34%	0.335	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	142.3	166	-70.2	-67.6	-174.8	163.3	0	109.6	F234 E236 A290 V291 A292	F234-K369 HydrophobicContact CE1-CB 4.21Å; F234-K369 HydrophobicContact CE1-CG 4.19Å; F234-K369 HydrophobicContact CZ-CB 4.21Å; E236-K369 IonicContact OE2-NZ 3.66Å; A290-K369 PolarHBondContact O-N 2.96Å; V291-K369 CarbonylContact C-O 3.59Å; V291-K369 VanDerWaalsContact CA-O 3.27Å; V291-K369 WeakPolarHBondContact CA-O 3.21Å; V291-K369 WeakPolarHBondContact CG1-O 3.29Å; A292-K369 PolarHBondContact N-O 3.12Å
370	L	98.3	Very high	96.3	Very high	106 Å²	106	56.9 Å²	56.9	56%	0.555	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	130.4	176.8	-171.9	73.5	0	0	0	109.6	Y372	L370-Y372 HydrophobicContact CD1-CD2 4.47Å
371	F	98.7	Very high	96.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	87.8	164.8	-167.6	-92.9	0	0	0	107.7	F234 Y243 L245 L258 M260 V291 A292 I293 S294 V373	F234-F371 HydrophobicContact CD2-CD2 4.41Å; F234-F371 AromaticContact CE2-CD2 3.92Å; F234-F371 HydrophobicContact CE2-CD2 3.92Å; Y243-F371 VanDerWaalsContact CB-CE2 3.48Å; Y243-F371 HydrophobicContact CG-CD2 4.39Å; L245-F371 HydrophobicContact CB-CD1 4.27Å; L245-F371 HydrophobicContact CB-CD2 3.94Å; L245-F371 HydrophobicContact CB-CE1 4.03Å; L245-F371 HydrophobicContact CB-CE2 3.65Å; L245-F371 HydrophobicContact CB-CG 4.22Å; L245-F371 HydrophobicContact CB-CZ 3.71Å; L245-F371 HydrophobicContact CD2-CB 4.32Å; L245-F371 HydrophobicContact CD2-CD1 3.45Å; L245-F371 VanDerWaalsContact CD2-CD1 3.45Å; L245-F371 HydrophobicContact CD2-CD2 4.37Å; L245-F371 HydrophobicContact CD2-CE1 3.73Å; L245-F371 HydrophobicContact CD2-CG 3.8Å; L245-F371 HydrophobicContact CD2-CZ 4.29Å; L245-F371 HydrophobicContact CG-CD1 4.48Å; L258-F371 HydrophobicContact CB-CE1 3.81Å; L258-F371 HydrophobicContact CB-CZ 3.61Å; L258-F371 HydrophobicContact CD1-CE1 3.76Å; L258-F371 HydrophobicContact CD1-CZ 4.44Å; L258-F371 HydrophobicContact CG-CE1 4.45Å; M260-F371 HydrophobicContact CB-CE2 4.42Å; M260-F371 HydrophobicContact CB-CZ 4.2Å; V291-F371 HydrophobicContact CG1-CB 3.69Å; A292-F371 PolarHBondContact O-N 2.74Å; I293-F371 WeakPolarHBondContact CA-O 3.39Å; S294-F371 PolarHBondContact N-O 3.33Å; F371-V373 HydrophobicContact CD1-CG2 3.45Å; F371-V373 VanDerWaalsContact CD1-CG2 3.45Å; F371-V373 HydrophobicContact CE1-CG2 3.26Å; F371-V373 HydrophobicContact CZ-CG2 4.29Å
372	Y	98.7	Very high	96.6	Very high	53 Å²	53	49.7 Å²	49.7	21%	0.208	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	103.5	-172.2	-164.1	-101.2	0	0	0	109.8	R211 M225 M260 S294 L370 D374	R211-Y372 WeakPolarHBondContact CD-OH 3.4Å; R211-Y372 WeakPolarHBondContact CG-OH 3.34Å; M225-Y372 HydrophobicContact SD-CD2 4.35Å; M225-Y372 HydrophobicContact SD-CE1 4.31Å; M225-Y372 HydrophobicContact SD-CE2 3.63Å; M225-Y372 VanDerWaalsContact SD-CZ 3.59Å; M260-Y372 WeakPolarHBondContact CE-O 3.46Å; S294-Y372 VanDerWaalsContact OG-CD2 3.28Å; S294-Y372 WeakPolarHBondContact OG-CD2 2.96Å; L370-Y372 HydrophobicContact CD1-CD2 4.47Å; Y372-D374 HydrophobicContact CD1-CB 3.59Å; Y372-D374 VanDerWaalsContact CD1-CG 3.41Å; Y372-D374 WeakPolarHBondContact CD1-OD2 3.45Å; Y372-D374 HydrophobicContact CE1-CB 3.44Å; Y372-D374 VanDerWaalsContact CE1-CB 3.44Å; Y372-D374 WeakPolarHBondContact CE1-OD2 3.5Å; Y372-D374 PolarHBondContact O-N 3.43Å; Y372-D374 VanDerWaalsContact O-N 3.16Å
373	V	98.6	Very high	96.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.224	C	C	.	.			trans	-91.8	71	-171.6	-169	0	0	0	0	110.4	M225 M260 S294 L295 P296 F371 F377	M225-V373 WeakPolarHBondContact CE-O 3.49Å; M260-V373 HydrophobicContact SD-CB 4.19Å; M260-V373 HydrophobicContact SD-CG1 4.16Å; M260-V373 HydrophobicContact SD-CG2 4.08Å; S294-V373 WeakPolarHBondContact O-CB 3.22Å; S294-V373 WeakPolarHBondContact O-CG2 3.4Å; S294-V373 PolarHBondContact O-N 2.95Å; L295-V373 HydrophobicContact CD1-CB 3.99Å; L295-V373 HydrophobicContact CD1-CG1 4.13Å; L295-V373 HydrophobicContact CD1-CG2 3.77Å; P296-V373 WeakPolarHBondContact CD-O 2.72Å; F371-V373 HydrophobicContact CD1-CG2 3.45Å; F371-V373 VanDerWaalsContact CD1-CG2 3.45Å; F371-V373 HydrophobicContact CE1-CG2 3.26Å; F371-V373 HydrophobicContact CZ-CG2 4.29Å; V373-F377 HydrophobicContact CG1-CB 4.25Å; V373-F377 HydrophobicContact CG1-CD1 3.12Å; V373-F377 HydrophobicContact CG1-CD2 4.32Å; V373-F377 HydrophobicContact CG1-CE1 3.33Å; V373-F377 HydrophobicContact CG1-CE2 4.5Å; V373-F377 HydrophobicContact CG1-CG 3.66Å; V373-F377 HydrophobicContact CG1-CZ 4.04Å
374	D	98.2	Very high	96.2	Very high	35 Å²	35	44.2 Å²	44.2	19%	0.187	21%	0.21	C	C	.	.			trans	-105.7	9.3	179.8	69.3	-16.3	0	0	0	113.7	F213 L214 M225 Y372	F213-D374 CarbonylContact C-O 3.59Å; F213-D374 WeakPolarHBondContact CA-O 3.35Å; L214-D374 PolarHBondContact N-O 2.97Å; M225-D374 HydrophobicContact CE-CB 4.2Å; Y372-D374 HydrophobicContact CD1-CB 3.59Å; Y372-D374 VanDerWaalsContact CD1-CG 3.41Å; Y372-D374 WeakPolarHBondContact CD1-OD2 3.45Å; Y372-D374 HydrophobicContact CE1-CB 3.44Å; Y372-D374 VanDerWaalsContact CE1-CB 3.44Å; Y372-D374 WeakPolarHBondContact CE1-OD2 3.5Å; Y372-D374 PolarHBondContact O-N 3.43Å; Y372-D374 VanDerWaalsContact O-N 3.16Å
375	H	98.6	Very high	95.7	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.037	20%	0.198	C	C	.	.	S	Bend	trans	-149.2	171	179.5	61.5	-86	0	0	0	110.6	F213 L214 M260 P261 L264 F377	F213-H375 VanDerWaalsContact CZ-O 3.27Å; F213-H375 WeakPolarHBondContact CZ-O 3.4Å; L214-H375 HydrophobicContact CB-CB 4.39Å; M260-H375 WeakPolarHBondContact CG-NE2 3.39Å; M260-H375 VanDerWaalsContact SD-CE1 3.58Å; P261-H375 PolarHBondContact O-NE2 2.91Å; L264-H375 HydrophobicContact CB-CB 4.44Å; L264-H375 HydrophobicContact CD1-CB 3.75Å; H375-F377 PolarHBondContact O-N 3.48Å
376	P	98.6	Very high	95	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.032	20%	0.202	C	C	.	.			trans	-51.3	136.7	-173.2	-32.2	37.4	0	0	0	114.3	F213 L214 L267 V395 V396	F213-P376 HydrophobicContact CE1-CG 4.48Å; L214-P376 VanDerWaalsContact O-CD 3.32Å; L214-P376 WeakPolarHBondContact O-CD 3.25Å; L267-P376 HydrophobicContact CD1-CB 3.9Å; L267-P376 HydrophobicContact CD2-CB 4.18Å; L267-P376 HydrophobicContact CG-CB 3.86Å; P376-V395 VanDerWaalsContact CA-O 3.22Å; P376-V395 WeakPolarHBondContact CA-O 3.4Å; P376-V396 HydrophobicContact CB-CG2 4.4Å; P376-V396 HydrophobicContact CG-CG1 4.38Å
377	F	98.8	Very high	94.6	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	157.9	-178.4	66.3	-85.1	0	0	0	111.7	F213 L258 M260 P296 V373 H375 F379 R394 V395	F213-F377 HydrophobicContact CE2-CD1 4.37Å; F213-F377 HydrophobicContact CE2-CE1 4.23Å; F213-F377 HydrophobicContact CZ-CD1 4.44Å; L258-F377 HydrophobicContact CD2-CD2 4.12Å; L258-F377 HydrophobicContact CD2-CE2 3.95Å; M260-F377 HydrophobicContact CB-CB 4.16Å; M260-F377 HydrophobicContact CG-CB 4.13Å; P296-F377 HydrophobicContact CG-CE1 4.18Å; V373-F377 HydrophobicContact CG1-CB 4.25Å; V373-F377 HydrophobicContact CG1-CD1 3.12Å; V373-F377 HydrophobicContact CG1-CD2 4.32Å; V373-F377 HydrophobicContact CG1-CE1 3.33Å; V373-F377 HydrophobicContact CG1-CE2 4.5Å; V373-F377 HydrophobicContact CG1-CG 3.66Å; V373-F377 HydrophobicContact CG1-CZ 4.04Å; H375-F377 PolarHBondContact O-N 3.48Å; F377-F379 HydrophobicContact CE2-CB 4.44Å; F377-F379 HydrophobicContact CE2-CD1 4.45Å; F377-R394 VanDerWaalsContact O-CA 3.31Å; F377-R394 WeakPolarHBondContact O-CA 3.4Å; F377-V395 HydrophobicContact CD1-CB 4.12Å; F377-V395 HydrophobicContact CE1-CB 3.58Å; F377-V395 HydrophobicContact CE1-CG1 3.99Å; F377-V395 HydrophobicContact CE1-CG2 4.04Å; F377-V395 HydrophobicContact CE2-CB 4.28Å; F377-V395 HydrophobicContact CE2-CG2 4Å; F377-V395 HydrophobicContact CZ-CB 3.68Å; F377-V395 HydrophobicContact CZ-CG1 4.31Å; F377-V395 HydrophobicContact CZ-CG2 3.57Å; F377-V395 PolarHBondContact N-O 3.13Å; F377-V395 VanDerWaalsContact N-O 3.14Å; F377-V395 PolarHBondContact O-N 3.19Å
378	I	98.9	Very high	94.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	144.5	174.6	-59.7	-178.7	0	0	0	108.1	Y44 I259 L267 L270 E271 L274 G393 R394	Y44-I378 WeakPolarHBondContact OH-CD1 3.4Å; I259-I378 HydrophobicContact CB-CB 4.33Å; I259-I378 HydrophobicContact CD1-CG2 4.41Å; I259-I378 PolarHBondContact N-O 3Å; I259-I378 PolarHBondContact O-N 2.91Å; L267-I378 HydrophobicContact CD1-CG1 4.05Å; L267-I378 HydrophobicContact CD2-CG1 4.26Å; L270-I378 HydrophobicContact CD2-CD1 3.78Å; L270-I378 HydrophobicContact CD2-CG1 4.1Å; L270-I378 HydrophobicContact CG-CD1 3.76Å; E271-I378 HydrophobicContact CG-CD1 3.88Å; L274-I378 HydrophobicContact CD1-CG2 4.23Å; L274-I378 HydrophobicContact CD2-CD1 3.94Å; L274-I378 HydrophobicContact CD2-CG2 4Å; I378-G393 WeakPolarHBondContact CA-O 3.36Å; I378-G393 WeakPolarHBondContact CG2-O 2.89Å; I378-R394 HydrophobicContact CG1-CB 4.27Å
379	F	98.7	Very high	93.9	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.009	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151	173.7	71.6	-88.4	0	0	0	111.8	V57 M256 I257 L258 L346 F377 V381 G393 V395	V57-F379 HydrophobicContact CG1-CZ 4.46Å; V57-F379 HydrophobicContact CG2-CZ 4.15Å; M256-F379 HydrophobicContact CE-CD2 3.83Å; M256-F379 HydrophobicContact CE-CE2 4.38Å; M256-F379 HydrophobicContact CE-CG 4.34Å; I257-F379 CarbonylContact O-C 3.58Å; I257-F379 WeakPolarHBondContact O-CA 3.47Å; L258-F379 HydrophobicContact CD2-CB 3.65Å; L346-F379 HydrophobicContact CD2-CE1 4.03Å; L346-F379 HydrophobicContact CD2-CE2 4.22Å; L346-F379 HydrophobicContact CD2-CZ 3.7Å; F377-F379 HydrophobicContact CE2-CB 4.44Å; F377-F379 HydrophobicContact CE2-CD1 4.45Å; F379-V381 HydrophobicContact CD2-CG2 4.43Å; F379-G393 PolarHBondContact N-O 3.43Å; F379-G393 PolarHBondContact O-N 3.19Å; F379-V395 HydrophobicContact CD1-CG2 4.33Å; F379-V395 HydrophobicContact CE1-CG2 4.23Å
380	L	98.4	Very high	93.7	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146.4	165.9	-58.4	94.4	0	0	0	108.9	F41 M256 I257 I259 V279 I389 Y391 I392	F41-L380 HydrophobicContact CE1-CD2 4.42Å; F41-L380 HydrophobicContact CZ-CD2 3.86Å; M256-L380 CarbonylContact C-O 3.58Å; M256-L380 WeakPolarHBondContact CA-O 3.27Å; I257-L380 HydrophobicContact CB-CB 4.44Å; I257-L380 PolarHBondContact N-O 2.92Å; I257-L380 PolarHBondContact O-N 3.45Å; I259-L380 HydrophobicContact CD1-CD1 3.54Å; I259-L380 HydrophobicContact CG1-CD1 4.44Å; V279-L380 HydrophobicContact CG1-CD2 4.33Å; V279-L380 HydrophobicContact CG2-CD1 4.42Å; V279-L380 HydrophobicContact CG2-CD2 4.44Å; L380-I389 HydrophobicContact CD2-CD1 4.03Å; L380-I389 HydrophobicContact CD2-CG2 4.46Å; L380-Y391 CarbonylContact C-O 3.43Å; L380-Y391 VanDerWaalsContact CA-O 3.27Å; L380-Y391 WeakPolarHBondContact CA-O 3.4Å; L380-I392 HydrophobicContact CD2-CD1 4.35Å; L380-I392 HydrophobicContact CD2-CG1 4.38Å; L380-I392 HydrophobicContact CG-CG1 4.3Å
381	V	96.3	Very high	93.6	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.012	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.1	166	-174.5	0	0	0	0	106.9	F195 L249 S255 M256 F379 L390 Y391	F195-V381 HydrophobicContact CE1-CG1 4.4Å; F195-V381 HydrophobicContact CE1-CG2 3.7Å; F195-V381 HydrophobicContact CZ-CG1 4.09Å; F195-V381 HydrophobicContact CZ-CG2 4.21Å; L249-V381 HydrophobicContact CD1-CG1 4.05Å; S255-V381 CarbonylContact O-C 3.52Å; S255-V381 WeakPolarHBondContact O-CA 3.21Å; M256-V381 HydrophobicContact CE-CG2 3.81Å; F379-V381 HydrophobicContact CD2-CG2 4.43Å; V381-L390 HydrophobicContact CB-CB 4.15Å; V381-L390 HydrophobicContact CG1-CB 4.08Å; V381-L390 HydrophobicContact CG1-CD1 4.05Å; V381-L390 WeakPolarHBondContact O-CB 3.48Å; V381-L390 PolarHBondContact O-N 3.19Å; V381-Y391 HydrophobicContact CG2-CD2 4.42Å; V381-Y391 PolarHBondContact N-O 3.32Å; V381-Y391 PolarHBondContact O-N 3.13Å
382	K	92.8	Very high	93.6	Very high	26 Å²	26	20.7 Å²	20.7	11%	0.113	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135	-172.6	-174.9	177.9	176.5	-176.6	0	110.1	A254 S255 I257 N387 S388	A254-K382 CarbonylContact C-O 3.54Å; A254-K382 WeakPolarHBondContact CA-O 3.49Å; A254-K382 VanDerWaalsContact CB-O 3.24Å; A254-K382 WeakPolarHBondContact CB-O 3.2Å; S255-K382 PolarHBondContact N-O 2.92Å; S255-K382 PolarHBondContact O-N 3.16Å; I257-K382 HydrophobicContact CD1-CB 4.41Å; I257-K382 HydrophobicContact CD1-CD 4.13Å; K382-N387 VanDerWaalsContact CE-CG 3.48Å; K382-N387 WeakPolarHBondContact CE-OD1 3.38Å; K382-N387 PolarHBondContact NZ-OD1 2.83Å; K382-S388 CarbonylContact C-O 3.55Å; K382-S388 WeakPolarHBondContact CA-O 3.18Å
383	D	88.8	Confident	93.6	Very high	5 Å²	5	18.1 Å²	18.1	3%	0.027	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	123.9	169.1	-177.4	-89.5	0	0	0	109.4	R113 K385 T386 N387 S388 L390	R113-D383 IonicContact CZ-OD2 2.89Å; R113-D383 IonicContact NH1-OD2 3.82Å; R113-D383 PolarHBondContact NH1-OD2 3.04Å; R113-D383 IonicContact NH2-OD2 2.71Å; R113-D383 PolarHBondContact NH2-OD2 3.06Å; D383-K385 VanDerWaalsContact C-N 3.34Å; D383-K385 PolarHBondContact OD1-N 2.9Å; D383-K385 VanDerWaalsContact OD1-N 3.11Å; D383-T386 WeakPolarHBondContact CB-OG1 3.29Å; D383-T386 VanDerWaalsContact CG-OG1 3.22Å; D383-T386 WeakPolarHBondContact OD1-CB 3.37Å; D383-T386 WeakPolarHBondContact OD1-CG2 3.28Å; D383-T386 PolarHBondContact OD1-N 2.95Å; D383-T386 PolarHBondContact OD1-OG1 2.89Å; D383-N387 WeakPolarHBondContact O-CA 3.41Å; D383-N387 PolarHBondContact O-N 2.94Å; D383-S388 PolarHBondContact N-O 2.81Å; D383-L390 HydrophobicContact CB-CD1 4.24Å; D383-L390 HydrophobicContact CB-CD2 4.2Å; D383-L390 HydrophobicContact CB-CG 4.24Å
384	N	88.8	Confident	93.6	Very high	67 Å²	67	19.1 Å²	19.1	36%	0.358	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-21.3	-174.2	-67.7	-21.2	0	0	0	112.3	K252 Q253 A254 S255	K252-N384 PolarHBondContact O-ND2 3.11Å; Q253-N384 PolarHBondContact O-N 2.58Å; A254-N384 VanDerWaalsContact C-ND2 3.34Å; A254-N384 PolarHBondContact O-ND2 2.78Å; S255-N384 VanDerWaalsContact OG-CG 3.27Å; S255-N384 PolarHBondContact OG-ND2 2.77Å; S255-N384 PolarHBondContact OG-OD1 2.93Å
385	K	82.1	Confident	93.6	Very high	89 Å²	89	17.5 Å²	17.5	39%	0.387	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-44.6	-179.1	-177	176.8	176.8	170.8	0	112.3	D22 K23 D383	D22-K385 VanDerWaalsContact OD1-CE 3.31Å; D22-K385 WeakPolarHBondContact OD1-CE 3.45Å; D22-K385 IonicContact OD1-NZ 2.85Å; D22-K385 PolarHBondContact OD1-NZ 3.32Å; K23-K385 VanDerWaalsContact O-CE 3.31Å; K23-K385 WeakPolarHBondContact O-CE 3.3Å; K23-K385 PolarHBondContact O-NZ 3.3Å; D383-K385 VanDerWaalsContact C-N 3.34Å; D383-K385 PolarHBondContact OD1-N 2.9Å; D383-K385 VanDerWaalsContact OD1-N 3.11Å
386	T	80.3	Confident	93.5	Very high	28 Å²	28	18.4 Å²	18.4	17%	0.172	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-9.1	-173.8	65	0	0	0	0	112.5	L25 D383 S388	L25-T386 HydrophobicContact CD1-CG2 3.52Å; L25-T386 HydrophobicContact CG-CG2 3.88Å; D383-T386 WeakPolarHBondContact CB-OG1 3.29Å; D383-T386 VanDerWaalsContact CG-OG1 3.22Å; D383-T386 WeakPolarHBondContact OD1-CB 3.37Å; D383-T386 WeakPolarHBondContact OD1-CG2 3.28Å; D383-T386 PolarHBondContact OD1-N 2.95Å; D383-T386 PolarHBondContact OD1-OG1 2.89Å; T386-S388 WeakPolarHBondContact CB-OG 3.49Å; T386-S388 PolarHBondContact O-N 2.84Å; T386-S388 VanDerWaalsContact O-N 3.15Å; T386-S388 VanDerWaalsContact OG1-CB 3.31Å; T386-S388 WeakPolarHBondContact OG1-CB 3.4Å; T386-S388 PolarHBondContact OG1-N 2.95Å; T386-S388 PolarHBondContact OG1-OG 3.29Å
387	N	82.8	Confident	93.5	Very high	79 Å²	79	22.9 Å²	22.9	42%	0.422	11%	0.11	S	C	.	.			trans	65.4	6.8	-174.3	-146	45.2	0	0	0	113.7	K382 D383	K382-N387 VanDerWaalsContact CE-CG 3.48Å; K382-N387 WeakPolarHBondContact CE-OD1 3.38Å; K382-N387 PolarHBondContact NZ-OD1 2.83Å; D383-N387 WeakPolarHBondContact O-CA 3.41Å; D383-N387 PolarHBondContact O-N 2.94Å
388	S	85.4	Confident	93.3	Very high	9 Å²	9	23 Å²	23	6%	0.063	11%	0.111	C	C	.	.			trans	-71	145.1	-175.8	-56.1	0	0	0	0	112.1	A33 K382 D383 T386	A33-S388 WeakPolarHBondContact CB-OG 3.3Å; K382-S388 CarbonylContact C-O 3.55Å; K382-S388 WeakPolarHBondContact CA-O 3.18Å; D383-S388 PolarHBondContact N-O 2.81Å; T386-S388 WeakPolarHBondContact CB-OG 3.49Å; T386-S388 PolarHBondContact O-N 2.84Å; T386-S388 VanDerWaalsContact O-N 3.15Å; T386-S388 VanDerWaalsContact OG1-CB 3.31Å; T386-S388 WeakPolarHBondContact OG1-CB 3.4Å; T386-S388 PolarHBondContact OG1-N 2.95Å; T386-S388 PolarHBondContact OG1-OG 3.29Å
389	I	92.6	Very high	93	Very high	17 Å²	17	28.7 Å²	28.7	9%	0.087	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120.6	172.2	-56	-176.6	0	0	0	109.1	A37 F41 P60 L380 Y391	A37-I389 HydrophobicContact CB-CB 4.22Å; A37-I389 HydrophobicContact CB-CD1 3.86Å; A37-I389 HydrophobicContact CB-CG1 4.04Å; F41-I389 HydrophobicContact CD2-CD1 4.39Å; F41-I389 HydrophobicContact CE2-CD1 3.39Å; F41-I389 HydrophobicContact CZ-CD1 3.91Å; P60-I389 HydrophobicContact CG-CB 4.14Å; P60-I389 HydrophobicContact CG-CG2 3.88Å; P60-I389 VanDerWaalsContact CG-O 3.3Å; P60-I389 WeakPolarHBondContact CG-O 3.48Å; L380-I389 HydrophobicContact CD2-CD1 4.03Å; L380-I389 HydrophobicContact CD2-CG2 4.46Å; I389-Y391 VanDerWaalsContact CG2-O 3.27Å; I389-Y391 WeakPolarHBondContact CG2-O 3.47Å
390	L	93.1	Very high	92.7	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-38.1	179.6	-55.4	-177.7	0	0	0	111.9	S59 P60 V107 W117 A254 V381 D383	S59-L390 WeakPolarHBondContact CA-O 3.33Å; S59-L390 PolarHBondContact OG-O 3.39Å; P60-L390 WeakPolarHBondContact CD-O 3.49Å; V107-L390 HydrophobicContact CB-CD2 4.31Å; V107-L390 HydrophobicContact CG1-CD2 3.49Å; V107-L390 VanDerWaalsContact CG1-CD2 3.49Å; W117-L390 HydrophobicContact CH2-CB 3.85Å; W117-L390 HydrophobicContact CZ3-CB 4.06Å; A254-L390 HydrophobicContact CB-CD1 4.36Å; V381-L390 HydrophobicContact CB-CB 4.15Å; V381-L390 HydrophobicContact CG1-CB 4.08Å; V381-L390 HydrophobicContact CG1-CD1 4.05Å; V381-L390 WeakPolarHBondContact O-CB 3.48Å; V381-L390 PolarHBondContact O-N 3.19Å; D383-L390 HydrophobicContact CB-CD1 4.24Å; D383-L390 HydrophobicContact CB-CD2 4.2Å; D383-L390 HydrophobicContact CB-CG 4.24Å
391	Y	96.4	Very high	92.4	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.5	172.4	-85.1	-74.8	0	0	0	111.2	V57 V58 W117 F195 S344 L380 V381 I389	V57-Y391 HydrophobicContact CG1-CD1 3.65Å; V57-Y391 HydrophobicContact CG1-CE1 3.58Å; V58-Y391 CarbonylContact O-C 3.54Å; V58-Y391 WeakPolarHBondContact O-CA 3.31Å; V58-Y391 WeakPolarHBondContact O-CD1 3.43Å; W117-Y391 HydrophobicContact CE3-CD2 4.49Å; W117-Y391 AromaticContact CE3-CE2 3.97Å; W117-Y391 HydrophobicContact CE3-CE2 3.97Å; W117-Y391 AromaticContact CH2-CD2 3.2Å; W117-Y391 HydrophobicContact CH2-CD2 3.2Å; W117-Y391 AromaticContact CH2-CE2 2.91Å; W117-Y391 HydrophobicContact CH2-CE2 2.91Å; W117-Y391 HydrophobicContact CH2-CG 4.24Å; W117-Y391 AromaticContact CH2-CZ 3.77Å; W117-Y391 HydrophobicContact CZ2-CD2 4.27Å; W117-Y391 AromaticContact CZ2-CE2 3.63Å; W117-Y391 HydrophobicContact CZ2-CE2 3.63Å; W117-Y391 AromaticContact CZ3-CD2 3.34Å; W117-Y391 HydrophobicContact CZ3-CD2 3.34Å; W117-Y391 AromaticContact CZ3-CE2 3.13Å; W117-Y391 HydrophobicContact CZ3-CE2 3.13Å; F195-Y391 HydrophobicContact CB-CE2 3.62Å; F195-Y391 AromaticContact CD1-CD2 3.82Å; F195-Y391 HydrophobicContact CD1-CD2 3.82Å; F195-Y391 AromaticContact CD1-CE2 3.76Å; F195-Y391 HydrophobicContact CD1-CE2 3.76Å; F195-Y391 HydrophobicContact CD2-CE2 4.48Å; F195-Y391 HydrophobicContact CE1-CD2 4.3Å; F195-Y391 HydrophobicContact CG-CD2 4.19Å; F195-Y391 AromaticContact CG-CE2 3.7Å; F195-Y391 HydrophobicContact CG-CE2 3.7Å; S344-Y391 PolarHBondContact OG-OH 3.06Å; S344-Y391 VanDerWaalsContact OG-OH 3.08Å; L380-Y391 CarbonylContact C-O 3.43Å; L380-Y391 VanDerWaalsContact CA-O 3.27Å; L380-Y391 WeakPolarHBondContact CA-O 3.4Å; V381-Y391 HydrophobicContact CG2-CD2 4.42Å; V381-Y391 PolarHBondContact N-O 3.32Å; V381-Y391 PolarHBondContact O-N 3.13Å; I389-Y391 VanDerWaalsContact CG2-O 3.27Å; I389-Y391 WeakPolarHBondContact CG2-O 3.47Å
392	I	98.5	Very high	92.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.7	161.3	-175.4	171.1	0	0	0	108.3	A40 F41 Y44 V58 L274 L380	A40-I392 HydrophobicContact CB-CG2 3.9Å; F41-I392 HydrophobicContact CD1-CD1 3.65Å; F41-I392 HydrophobicContact CE1-CD1 3.63Å; F41-I392 HydrophobicContact CG-CD1 4.2Å; F41-I392 HydrophobicContact CZ-CD1 4.16Å; Y44-I392 HydrophobicContact CD2-CD1 4.13Å; Y44-I392 HydrophobicContact CD2-CG1 3.89Å; Y44-I392 HydrophobicContact CE2-CG1 4.4Å; Y44-I392 HydrophobicContact CG-CD1 4.15Å; Y44-I392 HydrophobicContact CG-CG1 4.42Å; V58-I392 HydrophobicContact CB-CG2 4.05Å; V58-I392 HydrophobicContact CG1-CG2 4.47Å; V58-I392 PolarHBondContact N-O 3.21Å; V58-I392 PolarHBondContact O-N 3.23Å; L274-I392 HydrophobicContact CD2-CD1 4.24Å; L380-I392 HydrophobicContact CD2-CD1 4.35Å; L380-I392 HydrophobicContact CD2-CG1 4.38Å; L380-I392 HydrophobicContact CG-CG1 4.3Å
393	G	98.3	Very high	92.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	177	-178.3	0	0	0	0	0	114.4	I56 I378 F379	I56-G393 CarbonylContact O-C 3.57Å; I56-G393 WeakPolarHBondContact O-CA 3.36Å; I378-G393 WeakPolarHBondContact CA-O 3.36Å; I378-G393 WeakPolarHBondContact CG2-O 2.89Å; F379-G393 PolarHBondContact N-O 3.43Å; F379-G393 PolarHBondContact O-N 3.19Å
394	R	98.5	Very high	91.9	Very high	21 Å²	21	57.1 Å²	57.1	8%	0.079	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144.2	172.9	73.3	-173.7	-171.8	-171.9	-2.3	110.7	Y44 T53 E54 N55 I56 L267 E271 F377 I378 V396	Y44-R394 HydrophobicContact CE2-CB 4.36Å; Y44-R394 WeakPolarHBondContact OH-CD 3.38Å; T53-R394 PolarHBondContact O-NH2 3.01Å; E54-R394 PolarHBondContact O-NE 2.92Å; N55-R394 WeakPolarHBondContact CA-O 3.44Å; I56-R394 HydrophobicContact CB-CG 4Å; I56-R394 HydrophobicContact CD1-CG 4.28Å; I56-R394 HydrophobicContact CG1-CG 4.05Å; I56-R394 PolarHBondContact N-O 3.34Å; I56-R394 PolarHBondContact O-N 3.11Å; L267-R394 HydrophobicContact CD1-CB 3.8Å; L267-R394 HydrophobicContact CD1-CG 4.28Å; E271-R394 VanDerWaalsContact CD-NH1 3.32Å; E271-R394 WeakPolarHBondContact OE1-CD 3.41Å; E271-R394 IonicContact OE1-CZ 2.61Å; E271-R394 IonicContact OE1-NE 2.77Å; E271-R394 IonicContact OE1-NH1 2.81Å; E271-R394 PolarHBondContact OE1-NH1 3.23Å; E271-R394 IonicContact OE2-NH1 3.98Å; E271-R394 PolarHBondContact OE2-NH1 3.44Å; F377-R394 VanDerWaalsContact O-CA 3.31Å; F377-R394 WeakPolarHBondContact O-CA 3.4Å; I378-R394 HydrophobicContact CG1-CB 4.27Å; R394-V396 HydrophobicContact CG-CG2 3.98Å
395	V	98.5	Very high	90.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	108	168.2	-177.5	0	0	0	0	106.7	I298 L300 P376 F377 F379	I298-V395 HydrophobicContact CD1-CG1 4.31Å; I298-V395 HydrophobicContact CD1-CG2 3.87Å; L300-V395 HydrophobicContact CD2-CG2 4.37Å; P376-V395 VanDerWaalsContact CA-O 3.22Å; P376-V395 WeakPolarHBondContact CA-O 3.4Å; F377-V395 HydrophobicContact CD1-CB 4.12Å; F377-V395 HydrophobicContact CE1-CB 3.58Å; F377-V395 HydrophobicContact CE1-CG1 3.99Å; F377-V395 HydrophobicContact CE1-CG2 4.04Å; F377-V395 HydrophobicContact CE2-CB 4.28Å; F377-V395 HydrophobicContact CE2-CG2 4Å; F377-V395 HydrophobicContact CZ-CB 3.68Å; F377-V395 HydrophobicContact CZ-CG1 4.31Å; F377-V395 HydrophobicContact CZ-CG2 3.57Å; F377-V395 PolarHBondContact N-O 3.13Å; F377-V395 VanDerWaalsContact N-O 3.14Å; F377-V395 PolarHBondContact O-N 3.19Å; F379-V395 HydrophobicContact CD1-CG2 4.33Å; F379-V395 HydrophobicContact CE1-CG2 4.23Å
396	V	98.1	Very high	89.9	Confident	28 Å²	28	63.4 Å²	63.4	17%	0.17	31%	0.306	C	S	.	.	S	Bend	trans	-99.9	-40.7	174.5	173.3	0	0	0	0	110	E54 N55 F213 L267 P376 R394	E54-V396 WeakPolarHBondContact O-CG2 3.38Å; N55-V396 PolarHBondContact OD1-N 3.44Å; F213-V396 WeakPolarHBondContact CE1-O 3.39Å; L267-V396 HydrophobicContact CD1-CG2 3.97Å; P376-V396 HydrophobicContact CB-CG2 4.4Å; P376-V396 HydrophobicContact CG-CG1 4.38Å; R394-V396 HydrophobicContact CG-CG2 3.98Å
397	R	96.8	Very high	88.7	Confident	99 Å²	99	72.1 Å²	72.1	37%	0.374	35%	0.351	S	S	.	.	S	Bend	trans	-137.7	103.2	-177	-176.7	176.6	180	176.6	-0.3	111.2	E54 N55 V215	E54-R397 WeakPolarHBondContact OE1-CD 3.39Å; E54-R397 IonicContact OE1-NH1 2.99Å; E54-R397 PolarHBondContact OE1-NH1 3.29Å; N55-R397 PolarHBondContact ND2-O 2.71Å; N55-R397 PolarHBondContact OD1-N 3.34Å; N55-R397 PolarHBondContact OD1-O 3.42Å; V215-R397 HydrophobicContact CG1-CB 4.19Å; V215-R397 HydrophobicContact CG1-CG 4.42Å; V215-R397 HydrophobicContact CG2-CB 4.35Å; V215-R397 HydrophobicContact CG2-CG 4.13Å
398	P	96.1	Very high	89	Confident	4 Å²	4	71.8 Å²	71.8	3%	0.026	35%	0.347	C	S	.	.			trans	-69.8	160.9	171.2	29.9	-33.6	0	0	0	111.3	F213 V223 I298	F213-P398 HydrophobicContact CB-CG 4Å; F213-P398 VanDerWaalsContact CD1-CD 3.45Å; F213-P398 HydrophobicContact CD1-CG 3.73Å; F213-P398 HydrophobicContact CD2-CG 4.21Å; F213-P398 HydrophobicContact CE1-CG 4.23Å; F213-P398 HydrophobicContact CG-CG 3.71Å; V223-P398 HydrophobicContact CG1-CB 3.99Å; V223-P398 HydrophobicContact CG1-CG 3.59Å; I298-P398 HydrophobicContact CG2-CB 3.91Å
399	K	93	Very high	89.2	Confident	118 Å²	118	75.1 Å²	75.1	51%	0.513	36%	0.362	S	S	.	.	S	Bend	trans	-68.8	133.3	169.2	-66.1	-173	-178.7	-174.9	0	109.1	S299 E301	S299-K399 WeakPolarHBondContact O-CD 3.48Å; E301-K399 IonicContact OE1-NZ 2.71Å; E301-K399 PolarHBondContact OE1-NZ 3.45Å; E301-K399 IonicContact OE2-NZ 3.09Å; E301-K399 PolarHBondContact OE2-NZ 3.19Å
400	G	91.7	Very high	89	Confident	43 Å²	43	78.3 Å²	78.3	44%	0.443	38%	0.377	S	S	.	.			trans	165.1	169.1	176.5	0	0	0	0	0	111.2	V221	V221-G400 VanDerWaalsContact CG1-C 3.4Å; V221-G400 VanDerWaalsContact CG1-CA 3.42Å
401	D	91.9	Very high	88.8	Confident	143 Å²	143	82.7 Å²	82.7	77%	0.765	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-82.6	146.4	179.2	-67	-40.6	0	0	0	111.5	V221 G222 M403	V221-D401 WeakPolarHBondContact CA-O 3.24Å; G222-D401 PolarHBondContact N-O 3.21Å; D401-M403 PolarHBondContact O-N 3.38Å
402	K	93.9	Very high	88.3	Confident	140 Å²	140	87.8 Å²	87.8	61%	0.609	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	123.3	174.7	-178	-178.7	-178.1	172.9	0	109.2	F219	F219-K402 HydrophobicContact CD2-CD 3.9Å; F219-K402 HydrophobicContact CD2-CG 3.92Å; F219-K402 HydrophobicContact CE2-CB 3.86Å; F219-K402 HydrophobicContact CE2-CD 3.71Å; F219-K402 HydrophobicContact CE2-CG 3.59Å
403	M	91.3	Very high	87.6	Confident	85 Å²	85	93.6 Å²	93.6	42%	0.419	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	144.7	167.5	-66.4	179.3	71.9	0	0	109.7	T220 G222 D401	T220-M403 HydrophobicContact CG2-CB 4.25Å; T220-M403 HydrophobicContact CG2-SD 4.25Å; T220-M403 PolarHBondContact O-N 3.1Å; G222-M403 WeakPolarHBondContact CA-SD 3.47Å; D401-M403 PolarHBondContact O-N 3.38Å
404	R	82.1	Confident	86.8	Confident	224 Å²	224	100.3 Å²	100.3	85%	0.845	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-84.5	125	163.1	-68.3	-176.1	-179.7	-174.3	0.1	106.4	E406	R404-E406 PolarHBondContact O-N 2.74Å
405	D	67.2	Low	85.9	Confident	100 Å²	100	106.4 Å²	106.4	54%	0.535	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-66.9	117.7	167.1	-132	-24.9	0	0	0	106.4	L407	D405-L407 VanDerWaalsContact C-N 3.28Å
406	E	61.4	Low	84.9	Confident	187 Å²	187	115.3 Å²	115.3	87%	0.874	56%	0.557	S	S	*	*			trans	-89.7	1	-179.7	-65.2	-172.4	167.8	0	0	112	R404	R404-E406 PolarHBondContact O-N 2.74Å
407	L	55.3	Low	83.7	Confident	212 Å²	212	123.2 Å²	123.2	100%	1.11	59%	0.592	S	S	*	*			trans	-108.6	0	177.2	-61.4	173.5	0	0	0	110	D405	D405-L407 VanDerWaalsContact C-N 3.28Å

Retrieved 407 of 407 residues in 785.3 ms (Link to these results)

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