A0A077ZC15_TRITR Loading...

DNA mismatch repair protein Mlh1

AlphaFold DB , UniProt , Accession A0A077ZC15, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 590 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	59	Low	69	Low	111 Å²	111	106 Å²	106	55%	0.547	54%	0.536	S	S	.	.				0	149.7	0	-74	164.3	-164	0	0	108.3	L18 C20 P22	M1-L18 PolarHBondContact O-N 3.31Å; M1-C20 PolarHBondContact SD-SG 3.2Å; M1-P22 VanDerWaalsContact CE-CA 3.48Å; M1-P22 HydrophobicContact CE-CB 4.21Å; M1-P22 HydrophobicContact CE-CG 4.24Å
2	K	61.9	Low	69.4	Low	153 Å²	153	105.3 Å²	105.3	67%	0.665	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	134.1	-176.9	-72.1	-179.3	178.5	-178	0	109.1	P15 K16	K2-P15 HydrophobicContact CB-CB 3.96Å; K2-P15 HydrophobicContact CD-CB 3.9Å; K2-P15 HydrophobicContact CD-CG 4.41Å; K2-P15 HydrophobicContact CG-CB 4.08Å; K2-K16 CarbonylContact C-O 3.55Å; K2-K16 WeakPolarHBondContact CA-O 3.44Å
3	Y	69.8	Low	70	Confident	112 Å²	112	101 Å²	101	44%	0.439	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.9	167.8	176.7	-94.7	0	0	0	108.1	F5 P15 K16 L18	Y3-F5 HydrophobicContact CE1-CB 4.11Å; Y3-P15 CarbonylContact O-C 3.56Å; Y3-P15 VanDerWaalsContact O-CA 3.29Å; Y3-P15 WeakPolarHBondContact O-CA 3.21Å; Y3-K16 PolarHBondContact N-O 2.94Å; Y3-K16 PolarHBondContact O-N 3.2Å; Y3-L18 HydrophobicContact CD2-CD2 3.96Å; Y3-L18 HydrophobicContact CG-CD2 4.45Å
4	E	76.9	Confident	70.5	Confident	84 Å²	84	102 Å²	102	39%	0.393	55%	0.545	S	S	.	.			trans	-119.3	127.1	179.1	-63	179.4	-179.7	0	0	108.3	Y6 M11 P15	E4-Y6 HydrophobicContact CB-CD2 4.21Å; E4-Y6 HydrophobicContact CB-CE2 3.51Å; E4-Y6 WeakPolarHBondContact OE2-CE2 3.46Å; E4-Y6 PolarHBondContact OE2-OH 3.31Å; E4-M11 HydrophobicContact CG-SD 4.48Å; E4-P15 HydrophobicContact CG-CB 4.02Å; E4-P15 HydrophobicContact CG-CG 4.11Å
5	F	71.5	Confident	71.1	Confident	81 Å²	81	98.3 Å²	98.3	36%	0.355	53%	0.529	S	S	.	.			trans	-104	130.7	175.3	-172.3	-110.3	0	0	0	108.4	Y3 L7 M11 D12	Y3-F5 HydrophobicContact CE1-CB 4.11Å; F5-L7 HydrophobicContact CE1-CB 4.36Å; F5-L7 HydrophobicContact CE1-CD1 4.2Å; F5-L7 HydrophobicContact CZ-CD1 4.38Å; F5-M11 CarbonylContact O-C 3.5Å; F5-M11 WeakPolarHBondContact O-CA 3.17Å; F5-D12 HydrophobicContact CD1-CB 3.98Å; F5-D12 PolarHBondContact O-N 3.23Å
6	Y	69.5	Low	71.6	Confident	129 Å²	129	101.6 Å²	101.6	51%	0.506	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.9	-179.7	-71.2	-95.2	0	0	0	109.5	E4 K10 M11	E4-Y6 HydrophobicContact CB-CD2 4.21Å; E4-Y6 HydrophobicContact CB-CE2 3.51Å; E4-Y6 WeakPolarHBondContact OE2-CE2 3.46Å; E4-Y6 PolarHBondContact OE2-OH 3.31Å; Y6-K10 CarbonylContact C-O 3.49Å; Y6-K10 WeakPolarHBondContact CA-O 3.35Å; Y6-M11 HydrophobicContact CD1-CB 4.08Å; Y6-M11 HydrophobicContact CE1-CB 3.76Å; Y6-M11 HydrophobicContact CE1-CG 4.39Å
7	L	66.1	Low	72	Confident	106 Å²	106	104.8 Å²	104.8	56%	0.555	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-116.1	128.3	172.4	-162.4	87.3	0	0	0	108.3	F5 G9 K10 D12	F5-L7 HydrophobicContact CE1-CB 4.36Å; F5-L7 HydrophobicContact CE1-CD1 4.2Å; F5-L7 HydrophobicContact CZ-CD1 4.38Å; L7-G9 PolarHBondContact O-N 3.12Å; L7-G9 VanDerWaalsContact O-N 3.14Å; L7-K10 PolarHBondContact N-O 3.44Å; L7-K10 PolarHBondContact O-N 2.75Å; L7-K10 VanDerWaalsContact O-O 3.06Å; L7-D12 HydrophobicContact CB-CB 4.39Å
8	A	64.5	Low	72.4	Confident	65 Å²	65	104.2 Å²	104.2	54%	0.537	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	30	179.1	0	0	0	0	0	115	K10 Y33	A8-K10 PolarHBondContact O-N 3.4Å; A8-Y33 HydrophobicContact CB-CE1 4.48Å; A8-Y33 WeakPolarHBondContact CB-OH 3.45Å
9	G	68.1	Low	72.9	Confident	72 Å²	72	104.2 Å²	104.2	74%	0.742	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	76.3	6.6	-177.4	0	0	0	0	0	114.6	L7	L7-G9 PolarHBondContact O-N 3.12Å; L7-G9 VanDerWaalsContact O-N 3.14Å
10	K	73.6	Confident	73.1	Confident	162 Å²	162	102.1 Å²	102.1	70%	0.704	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-109.9	138	171.3	-66	-176.3	-179.9	179.9	0	109.3	Y6 L7 A8 D12	Y6-K10 CarbonylContact C-O 3.49Å; Y6-K10 WeakPolarHBondContact CA-O 3.35Å; L7-K10 PolarHBondContact N-O 3.44Å; L7-K10 PolarHBondContact O-N 2.75Å; L7-K10 VanDerWaalsContact O-O 3.06Å; A8-K10 PolarHBondContact O-N 3.4Å; K10-D12 PolarHBondContact O-N 2.96Å
11	M	77.6	Confident	73.5	Confident	91 Å²	91	104 Å²	104	45%	0.448	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-65.4	123.6	171.1	-172.8	-179.1	64.2	0	0	108	E4 F5 Y6 G13 P15	E4-M11 HydrophobicContact CG-SD 4.48Å; F5-M11 CarbonylContact O-C 3.5Å; F5-M11 WeakPolarHBondContact O-CA 3.17Å; Y6-M11 HydrophobicContact CD1-CB 4.08Å; Y6-M11 HydrophobicContact CE1-CB 3.76Å; Y6-M11 HydrophobicContact CE1-CG 4.39Å; M11-G13 WeakPolarHBondContact CE-O 3.18Å; M11-P15 HydrophobicContact SD-CG 4.05Å
12	D	74.3	Confident	74.6	Confident	98 Å²	98	104.4 Å²	104.4	52%	0.524	58%	0.579	S	S	.	*			trans	-100.3	110	177.4	-178.1	28.2	0	0	0	108.9	F5 L7 K10	F5-D12 HydrophobicContact CD1-CB 3.98Å; F5-D12 PolarHBondContact O-N 3.23Å; L7-D12 HydrophobicContact CB-CB 4.39Å; K10-D12 PolarHBondContact O-N 2.96Å
13	G	77.1	Confident	75.5	Confident	49 Å²	49	100 Å²	100	51%	0.505	58%	0.577	S	S	.	*	S	Bend	trans	83.3	178.8	-176.2	0	0	0	0	0	115.4	M11	M11-G13 WeakPolarHBondContact CE-O 3.18Å
14	T	77.4	Confident	76.1	Confident	115 Å²	115	100.9 Å²	100.9	71%	0.706	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-84.7	144.2	175.1	53.9	0	0	0	0	110.8	K16	T14-K16 PolarHBondContact O-N 2.87Å
15	P	79.3	Confident	76.3	Confident	47 Å²	47	102.8 Å²	102.8	31%	0.305	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-55.1	127.5	178.8	-21.6	29.3	0	0	0	112.3	K2 Y3 E4 M11	K2-P15 HydrophobicContact CB-CB 3.96Å; K2-P15 HydrophobicContact CD-CB 3.9Å; K2-P15 HydrophobicContact CD-CG 4.41Å; K2-P15 HydrophobicContact CG-CB 4.08Å; Y3-P15 CarbonylContact O-C 3.56Å; Y3-P15 VanDerWaalsContact O-CA 3.29Å; Y3-P15 WeakPolarHBondContact O-CA 3.21Å; E4-P15 HydrophobicContact CG-CB 4.02Å; E4-P15 HydrophobicContact CG-CG 4.11Å; M11-P15 HydrophobicContact SD-CG 4.05Å
16	K	78.9	Confident	76.9	Confident	151 Å²	151	104 Å²	104	66%	0.657	63%	0.625	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.5	147.8	-179.8	-66.4	179.8	-177.8	174.1	0	110.5	K2 Y3 T14 L18	K2-K16 CarbonylContact C-O 3.55Å; K2-K16 WeakPolarHBondContact CA-O 3.44Å; Y3-K16 PolarHBondContact N-O 2.94Å; Y3-K16 PolarHBondContact O-N 3.2Å; T14-K16 PolarHBondContact O-N 2.87Å; K16-L18 PolarHBondContact O-N 3.38Å
17	L	79.2	Confident	77.6	Confident	155 Å²	155	102.8 Å²	102.8	81%	0.812	63%	0.634	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.8	125.7	172.7	-64.2	175.1	0	0	0	109.1
18	L	78.4	Confident	78.4	Confident	94 Å²	94	104.1 Å²	104.1	49%	0.492	64%	0.641	S	S	.	*			trans	-127.8	137.2	175.9	-172.8	70.4	0	0	0	109.3	M1 Y3 K16 C20	M1-L18 PolarHBondContact O-N 3.31Å; Y3-L18 HydrophobicContact CD2-CD2 3.96Å; Y3-L18 HydrophobicContact CG-CD2 4.45Å; K16-L18 PolarHBondContact O-N 3.38Å; L18-C20 PolarHBondContact O-N 2.91Å
19	A	81.4	Confident	79.3	Confident	104 Å²	104	108.5 Å²	108.5	86%	0.86	65%	0.651	S	S	*	*			trans	-77.7	116.1	170.8	0	0	0	0	0	109.1
20	C	77.3	Confident	79.9	Confident	62 Å²	62	111.3 Å²	111.3	42%	0.419	65%	0.649	S	S	.	*			trans	-147	164.4	173.3	61.9	0	0	0	0	110.2	M1 L18	M1-C20 PolarHBondContact SD-SG 3.2Å; L18-C20 PolarHBondContact O-N 2.91Å
21	N	82.3	Confident	80.3	Confident	143 Å²	143	109.3 Å²	109.3	77%	0.765	65%	0.645	S	S	*	*			trans	-64	154.3	173.9	-68	-18.3	0	0	0	110.6	G23	N21-G23 PolarHBondContact O-N 3.11Å
22	P	81	Confident	80.4	Confident	120 Å²	120	106.8 Å²	106.8	78%	0.779	63%	0.632	S	S	*	*	S	Bend	trans	-50.6	121.2	171.1	-25.7	34.5	0	0	0	112.2	M1	M1-P22 VanDerWaalsContact CE-CA 3.48Å; M1-P22 HydrophobicContact CE-CB 4.21Å; M1-P22 HydrophobicContact CE-CG 4.24Å
23	G	80.5	Confident	80.6	Confident	59 Å²	59	108.8 Å²	108.8	61%	0.608	63%	0.633	S	S	*	*	S	Bend	trans	150.4	-173	-179.2	0	0	0	0	0	112.6	N21	N21-G23 PolarHBondContact O-N 3.11Å
24	T	82.4	Confident	80.7	Confident	132 Å²	132	112.7 Å²	112.7	81%	0.81	64%	0.642	S	S	*	*			trans	-122.7	123.8	173.9	-56.5	0	0	0	0	108.3	V26	T24-V26 HydrophobicContact CG2-CG2 4.05Å
25	V	82.5	Confident	80.9	Confident	123 Å²	123	110.7 Å²	110.7	75%	0.745	63%	0.627	S	S	*	*			trans	-106.6	124	172.2	-179.7	0	0	0	0	107.7
26	V	83.7	Confident	80.8	Confident	108 Å²	108	112.8 Å²	112.8	66%	0.655	64%	0.641	S	S	*	*			trans	-113.1	111.4	175.4	-175.6	0	0	0	0	107.8	T24 L28	T24-V26 HydrophobicContact CG2-CG2 4.05Å; V26-L28 HydrophobicContact CG1-CD2 4.21Å; V26-L28 HydrophobicContact CG1-CG 4.19Å
27	C	84.1	Confident	80.9	Confident	103 Å²	103	110.7 Å²	110.7	70%	0.696	64%	0.64	S	S	*	*			trans	-96.4	126.5	173	-65.2	0	0	0	0	108.6
28	L	83.4	Confident	80.8	Confident	134 Å²	134	110.7 Å²	110.7	70%	0.702	63%	0.629	S	S	*	*			trans	-116.7	109.9	178.8	-65.5	169.8	0	0	0	108.6	V26	V26-L28 HydrophobicContact CG1-CD2 4.21Å; V26-L28 HydrophobicContact CG1-CG 4.19Å
29	E	83.4	Confident	80.9	Confident	156 Å²	156	110.8 Å²	110.8	73%	0.729	63%	0.63	S	S	*	*			trans	-113.7	144	177.2	-65.2	-179.4	171.9	0	0	109.7	L31	E29-L31 VanDerWaalsContact C-N 3.32Å; E29-L31 PolarHBondContact O-N 3.44Å
30	N	80.5	Confident	80.6	Confident	132 Å²	132	109 Å²	109	71%	0.706	61%	0.611	S	S	*	*			trans	49	47.5	175.3	-63.6	-35.1	0	0	0	114.2	F32 Y33	N30-F32 PolarHBondContact O-N 3.32Å; N30-Y33 WeakPolarHBondContact O-CB 3.26Å; N30-Y33 PolarHBondContact O-N 3.38Å
31	L	81.2	Confident	80.6	Confident	119 Å²	119	109.7 Å²	109.7	62%	0.623	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.5	-26.9	-176.9	-169.5	66.9	0	0	0	113.7	E29	E29-L31 VanDerWaalsContact C-N 3.32Å; E29-L31 PolarHBondContact O-N 3.44Å
32	F	80	Confident	80.1	Confident	39 Å²	39	106.6 Å²	106.6	17%	0.171	60%	0.604	C	S	.	*	T	Hydrogen-bonded Turn	trans	-107.4	19.8	-179.3	-55.3	-77	0	0	0	113.9	N30 N34 N35 R38 L39 M42	N30-F32 PolarHBondContact O-N 3.32Å; F32-N34 PolarHBondContact O-N 3.03Å; F32-N34 VanDerWaalsContact O-N 3.11Å; F32-N35 CarbonylContact O-C 3.54Å; F32-N35 PolarHBondContact O-N 2.89Å; F32-R38 HydrophobicContact CD1-CB 4.05Å; F32-R38 HydrophobicContact CD1-CG 3.77Å; F32-R38 HydrophobicContact CE1-CB 4.48Å; F32-R38 HydrophobicContact CE1-CG 3.7Å; F32-L39 HydrophobicContact CB-CB 3.87Å; F32-L39 HydrophobicContact CB-CD1 4.22Å; F32-L39 HydrophobicContact CD2-CD1 4.1Å; F32-L39 HydrophobicContact CG-CB 4.45Å; F32-L39 HydrophobicContact CG-CD1 4.44Å; F32-M42 HydrophobicContact CD2-CE 3.57Å; F32-M42 HydrophobicContact CE2-CE 3.04Å; F32-M42 HydrophobicContact CE2-SD 3.79Å; F32-M42 HydrophobicContact CZ-CE 3.61Å; F32-M42 HydrophobicContact CZ-SD 3.68Å
33	Y	78.5	Confident	79.4	Confident	140 Å²	140	111.8 Å²	111.8	55%	0.549	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.6	-37.3	-176.9	89.9	-89.7	0	0	0	112.5	A8 N30	A8-Y33 HydrophobicContact CB-CE1 4.48Å; A8-Y33 WeakPolarHBondContact CB-OH 3.45Å; N30-Y33 WeakPolarHBondContact O-CB 3.26Å; N30-Y33 PolarHBondContact O-N 3.38Å
34	N	79.7	Confident	79.3	Confident	130 Å²	130	112.3 Å²	112.3	70%	0.695	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	7.3	-178.9	-154.6	10	0	0	0	113.6	F32	F32-N34 PolarHBondContact O-N 3.03Å; F32-N34 VanDerWaalsContact O-N 3.11Å
35	N	80.7	Confident	79.3	Confident	73 Å²	73	110.6 Å²	110.6	39%	0.39	59%	0.59	S	S	.	*			trans	-144.1	73.3	179.6	-162.4	-32.1	0	0	0	111.1	F32 V37 R38 L39	F32-N35 CarbonylContact O-C 3.54Å; F32-N35 PolarHBondContact O-N 2.89Å; N35-V37 PolarHBondContact O-N 3.48Å; N35-R38 HydrophobicContact CB-CB 4.08Å; N35-R38 VanDerWaalsContact CG-CB 3.49Å; N35-R38 PolarHBondContact O-N 3.45Å; N35-R38 VanDerWaalsContact O-N 3.13Å; N35-R38 VanDerWaalsContact OD1-CB 3.29Å; N35-R38 WeakPolarHBondContact OD1-CB 3.41Å; N35-R38 PolarHBondContact OD1-N 3.2Å; N35-L39 PolarHBondContact O-N 3.31Å; N35-L39 VanDerWaalsContact O-N 3.11Å
36	P	78.6	Confident	79.3	Confident	91 Å²	91	107.7 Å²	107.7	59%	0.591	58%	0.575	S	S	*	*	H	α-helix	trans	-62.7	-28.2	-179	26	-34.7	0	0	0	112.2	L39 S40	P36-L39 WeakPolarHBondContact O-CB 3.47Å; P36-L39 PolarHBondContact O-N 3.22Å; P36-S40 WeakPolarHBondContact O-CB 3.36Å; P36-S40 PolarHBondContact O-N 2.91Å
37	V	80.2	Confident	79.2	Confident	107 Å²	107	107.2 Å²	107.2	65%	0.648	57%	0.566	S	S	*	*	H	α-helix	trans	-63.1	-46.2	175.2	-179.3	0	0	0	0	110.5	N35 L39 S40 A41	N35-V37 PolarHBondContact O-N 3.48Å; V37-L39 VanDerWaalsContact C-N 3.33Å; V37-L39 PolarHBondContact O-N 3.39Å; V37-S40 PolarHBondContact O-N 2.7Å; V37-S40 PolarHBondContact O-OG 3.13Å; V37-A41 PolarHBondContact O-N 2.86Å; V37-A41 VanDerWaalsContact O-N 3.11Å
38	R	77.4	Confident	79.2	Confident	155 Å²	155	104.4 Å²	104.4	59%	0.585	55%	0.545	S	S	*	.	H	α-helix	trans	-66.3	-35.9	176.6	-169.8	168.7	-178	172.5	-1	112.3	F32 N35 S40 A41 M42	F32-R38 HydrophobicContact CD1-CB 4.05Å; F32-R38 HydrophobicContact CD1-CG 3.77Å; F32-R38 HydrophobicContact CE1-CB 4.48Å; F32-R38 HydrophobicContact CE1-CG 3.7Å; N35-R38 HydrophobicContact CB-CB 4.08Å; N35-R38 VanDerWaalsContact CG-CB 3.49Å; N35-R38 PolarHBondContact O-N 3.45Å; N35-R38 VanDerWaalsContact O-N 3.13Å; N35-R38 VanDerWaalsContact OD1-CB 3.29Å; N35-R38 WeakPolarHBondContact OD1-CB 3.41Å; N35-R38 PolarHBondContact OD1-N 3.2Å; R38-S40 VanDerWaalsContact C-N 3.35Å; R38-A41 PolarHBondContact O-N 3Å; R38-M42 PolarHBondContact O-N 3.14Å
39	L	79.4	Confident	79.4	Confident	96 Å²	96	100.7 Å²	100.7	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-60.7	-44.9	171.2	-174.6	64.4	0	0	0	111	F32 N35 P36 V37 A41 M42	F32-L39 HydrophobicContact CB-CB 3.87Å; F32-L39 HydrophobicContact CB-CD1 4.22Å; F32-L39 HydrophobicContact CD2-CD1 4.1Å; F32-L39 HydrophobicContact CG-CB 4.45Å; F32-L39 HydrophobicContact CG-CD1 4.44Å; N35-L39 PolarHBondContact O-N 3.31Å; N35-L39 VanDerWaalsContact O-N 3.11Å; P36-L39 WeakPolarHBondContact O-CB 3.47Å; P36-L39 PolarHBondContact O-N 3.22Å; V37-L39 VanDerWaalsContact C-N 3.33Å; V37-L39 PolarHBondContact O-N 3.39Å; L39-A41 PolarHBondContact O-N 3.33Å; L39-M42 HydrophobicContact CD1-CE 4.41Å; L39-M42 PolarHBondContact O-N 2.94Å
40	S	76.7	Confident	79.6	Confident	66 Å²	66	99.8 Å²	99.8	46%	0.462	52%	0.516	S	S	.	.	H	α-helix	trans	-66.2	-21.5	179.6	79.3	0	0	0	0	114.3	P36 V37 R38 R43	P36-S40 WeakPolarHBondContact O-CB 3.36Å; P36-S40 PolarHBondContact O-N 2.91Å; V37-S40 PolarHBondContact O-N 2.7Å; V37-S40 PolarHBondContact O-OG 3.13Å; R38-S40 VanDerWaalsContact C-N 3.35Å; S40-R43 WeakPolarHBondContact O-CG 3.49Å; S40-R43 PolarHBondContact O-NE 3.35Å
41	A	76.8	Confident	79.9	Confident	78 Å²	78	98.4 Å²	98.4	65%	0.645	51%	0.505	S	S	*	.	H	α-helix	trans	-77.6	-26.7	173.8	0	0	0	0	0	112.4	V37 R38 L39 R43	V37-A41 PolarHBondContact O-N 2.86Å; V37-A41 VanDerWaalsContact O-N 3.11Å; R38-A41 PolarHBondContact O-N 3Å; L39-A41 PolarHBondContact O-N 3.33Å; A41-R43 VanDerWaalsContact C-N 3.26Å; A41-R43 PolarHBondContact O-N 3.45Å; A41-R43 VanDerWaalsContact O-N 3.08Å
42	M	72.2	Confident	80.3	Confident	78 Å²	78	95.8 Å²	95.8	38%	0.384	50%	0.495	S	S	.	.			trans	-85.6	62.9	175.9	-61.5	-158.9	-44.7	0	0	111.3	F32 R38 L39 N44 T48	F32-M42 HydrophobicContact CD2-CE 3.57Å; F32-M42 HydrophobicContact CE2-CE 3.04Å; F32-M42 HydrophobicContact CE2-SD 3.79Å; F32-M42 HydrophobicContact CZ-CE 3.61Å; F32-M42 HydrophobicContact CZ-SD 3.68Å; R38-M42 PolarHBondContact O-N 3.14Å; L39-M42 HydrophobicContact CD1-CE 4.41Å; L39-M42 PolarHBondContact O-N 2.94Å; M42-N44 VanDerWaalsContact C-N 3.3Å; M42-N44 PolarHBondContact O-N 3.11Å; M42-T48 HydrophobicContact CB-CG2 4.22Å; M42-T48 HydrophobicContact CG-CG2 4.37Å; M42-T48 HydrophobicContact SD-CG2 3.97Å
43	R	65.2	Low	80.8	Confident	229 Å²	229	95.5 Å²	95.5	86%	0.864	50%	0.496	S	S	*	.			trans	-70	-23.9	-173.3	-65	-174	169.6	-172.5	-6.6	114.1	S40 A41	S40-R43 WeakPolarHBondContact O-CG 3.49Å; S40-R43 PolarHBondContact O-NE 3.35Å; A41-R43 VanDerWaalsContact C-N 3.26Å; A41-R43 PolarHBondContact O-N 3.45Å; A41-R43 VanDerWaalsContact O-N 3.08Å
44	N	78	Confident	81.4	Confident	70 Å²	70	92.5 Å²	92.5	37%	0.374	49%	0.487	S	S	.	.			trans	-117.9	103	-172.5	-170.1	-6.2	0	0	0	112.5	M42 S46 E47 T48	M42-N44 VanDerWaalsContact C-N 3.3Å; M42-N44 PolarHBondContact O-N 3.11Å; N44-S46 PolarHBondContact O-N 2.92Å; N44-S46 VanDerWaalsContact O-N 3.14Å; N44-S46 VanDerWaalsContact OD1-CB 3.32Å; N44-S46 WeakPolarHBondContact OD1-CB 3.25Å; N44-S46 PolarHBondContact OD1-N 3.19Å; N44-E47 HydrophobicContact CB-CB 4.04Å; N44-E47 PolarHBondContact O-N 2.81Å; N44-E47 VanDerWaalsContact O-N 3.12Å; N44-T48 PolarHBondContact O-N 2.86Å
45	S	82.6	Confident	81.9	Confident	95 Å²	95	88.7 Å²	88.7	66%	0.664	47%	0.47	S	S	*	.	H	α-helix	trans	-58.4	-25.2	175.5	-174.5	0	0	0	0	113.5	T48 W49	S45-T48 WeakPolarHBondContact CA-OG1 3.36Å; S45-T48 PolarHBondContact O-OG1 3.09Å; S45-W49 WeakPolarHBondContact O-CB 3.34Å; S45-W49 PolarHBondContact O-N 3.15Å
46	S	82.9	Confident	82.5	Confident	63 Å²	63	86.9 Å²	86.9	44%	0.441	46%	0.461	S	S	.	.	H	α-helix	trans	-76.3	-32.2	178.9	-63.5	0	0	0	0	112.4	N44 K50	N44-S46 PolarHBondContact O-N 2.92Å; N44-S46 VanDerWaalsContact O-N 3.14Å; N44-S46 VanDerWaalsContact OD1-CB 3.32Å; N44-S46 WeakPolarHBondContact OD1-CB 3.25Å; N44-S46 PolarHBondContact OD1-N 3.19Å; S46-K50 WeakPolarHBondContact O-CG 3.43Å; S46-K50 PolarHBondContact O-N 2.97Å
47	E	81.9	Confident	83.2	Confident	98 Å²	98	83.6 Å²	83.6	46%	0.458	44%	0.438	S	S	.	.	H	α-helix	trans	-75.2	-44.3	178.4	-175.8	176.2	-171.7	0	0	111.1	N44 W49 K50 H51	N44-E47 HydrophobicContact CB-CB 4.04Å; N44-E47 PolarHBondContact O-N 2.81Å; N44-E47 VanDerWaalsContact O-N 3.12Å; E47-W49 VanDerWaalsContact C-N 3.28Å; E47-W49 PolarHBondContact O-N 3.49Å; E47-K50 WeakPolarHBondContact O-CB 3.5Å; E47-K50 PolarHBondContact O-N 3.3Å; E47-K50 VanDerWaalsContact O-N 3.11Å; E47-H51 PolarHBondContact O-CD2 3.43Å; E47-H51 VanDerWaalsContact O-CD2 3.28Å; E47-H51 PolarHBondContact O-N 3.28Å; E47-H51 IonicContact OE1-NE2 3.47Å
48	T	83.9	Confident	83.8	Confident	44 Å²	44	80.9 Å²	80.9	27%	0.27	42%	0.417	S	S	.	.	H	α-helix	trans	-59.4	-41.4	174	55.6	0	0	0	0	111.2	M42 N44 S45 K50 H51 C52	M42-T48 HydrophobicContact CB-CG2 4.22Å; M42-T48 HydrophobicContact CG-CG2 4.37Å; M42-T48 HydrophobicContact SD-CG2 3.97Å; N44-T48 PolarHBondContact O-N 2.86Å; S45-T48 WeakPolarHBondContact CA-OG1 3.36Å; S45-T48 PolarHBondContact O-OG1 3.09Å; T48-K50 PolarHBondContact O-N 3.36Å; T48-H51 PolarHBondContact O-N 2.7Å; T48-C52 PolarHBondContact O-N 2.88Å; T48-C52 PolarHBondContact O-SG 3.12Å
49	W	88	Confident	84.6	Confident	55 Å²	55	76.4 Å²	76.4	21%	0.208	40%	0.402	C	S	.	.	H	α-helix	trans	-58.6	-44.4	173.9	-171.9	-94.5	0	0	0	112.9	S45 E47 C52 L53 F70 K71 R72 D79	S45-W49 WeakPolarHBondContact O-CB 3.34Å; S45-W49 PolarHBondContact O-N 3.15Å; E47-W49 VanDerWaalsContact C-N 3.28Å; E47-W49 PolarHBondContact O-N 3.49Å; W49-C52 PolarHBondContact O-N 3.18Å; W49-L53 WeakPolarHBondContact O-CB 3.39Å; W49-L53 PolarHBondContact O-N 3.04Å; W49-F70 AromaticContact CD2-CE1 3.96Å; W49-F70 HydrophobicContact CD2-CE1 3.96Å; W49-F70 HydrophobicContact CD2-CZ 4.05Å; W49-F70 AromaticContact CE2-CE1 3.31Å; W49-F70 AromaticContact CE2-CZ 3.81Å; W49-F70 HydrophobicContact CE3-CE1 4.37Å; W49-F70 HydrophobicContact CE3-CZ 4.03Å; W49-F70 HydrophobicContact CH2-CD1 4.22Å; W49-F70 AromaticContact CH2-CE1 3.57Å; W49-F70 HydrophobicContact CH2-CE1 3.57Å; W49-F70 HydrophobicContact CH2-CE2 4.13Å; W49-F70 AromaticContact CH2-CZ 3.49Å; W49-F70 HydrophobicContact CH2-CZ 3.49Å; W49-F70 VanDerWaalsContact CH2-CZ 3.49Å; W49-F70 AromaticContact CZ2-CD1 3.69Å; W49-F70 HydrophobicContact CZ2-CD1 3.69Å; W49-F70 AromaticContact CZ2-CE1 3.09Å; W49-F70 HydrophobicContact CZ2-CE1 3.09Å; W49-F70 HydrophobicContact CZ2-CE2 4.46Å; W49-F70 AromaticContact CZ2-CZ 3.54Å; W49-F70 HydrophobicContact CZ2-CZ 3.54Å; W49-F70 HydrophobicContact CZ3-CE1 4.2Å; W49-F70 HydrophobicContact CZ3-CE2 4.46Å; W49-F70 AromaticContact CZ3-CZ 3.76Å; W49-F70 HydrophobicContact CZ3-CZ 3.76Å; W49-F70 AromaticContact NE1-CE1 3.76Å; W49-K71 WeakPolarHBondContact CH2-O 3.41Å; W49-R72 HydrophobicContact CD2-CG 4.2Å; W49-R72 VanDerWaalsContact CE2-NE 3.29Å; W49-R72 HydrophobicContact CE3-CG 4.34Å; W49-R72 HydrophobicContact CH2-CB 4.21Å; W49-R72 HydrophobicContact CH2-CG 3.39Å; W49-R72 HydrophobicContact CZ2-CB 4.27Å; W49-R72 HydrophobicContact CZ2-CG 3.15Å; W49-R72 HydrophobicContact CZ3-CG 3.98Å; W49-D79 VanDerWaalsContact CE2-OD2 3.23Å; W49-D79 WeakPolarHBondContact CZ2-OD2 3.49Å; W49-D79 PolarHBondContact NE1-OD2 3Å
50	K	87.1	Confident	85.3	Confident	138 Å²	138	71.8 Å²	71.8	60%	0.6	38%	0.378	S	S	*	.	H	α-helix	trans	-61.9	-43.9	177.3	-75.5	176.6	-178.9	-176.1	0	111.5	S46 E47 T48 C52 L53 E54	S46-K50 WeakPolarHBondContact O-CG 3.43Å; S46-K50 PolarHBondContact O-N 2.97Å; E47-K50 WeakPolarHBondContact O-CB 3.5Å; E47-K50 PolarHBondContact O-N 3.3Å; E47-K50 VanDerWaalsContact O-N 3.11Å; T48-K50 PolarHBondContact O-N 3.36Å; K50-C52 PolarHBondContact O-N 2.85Å; K50-L53 PolarHBondContact O-N 3.29Å; K50-E54 WeakPolarHBondContact O-CG 3.41Å; K50-E54 PolarHBondContact O-N 3.39Å
51	H	86.7	Confident	86	Confident	103 Å²	103	68.7 Å²	68.7	48%	0.477	36%	0.356	S	S	.	.	H	α-helix	trans	-64.3	-38.9	176.5	-71	-49.6	0	0	0	113	E47 T48 E54 C55	E47-H51 PolarHBondContact O-CD2 3.43Å; E47-H51 VanDerWaalsContact O-CD2 3.28Å; E47-H51 PolarHBondContact O-N 3.28Å; E47-H51 IonicContact OE1-NE2 3.47Å; T48-H51 PolarHBondContact O-N 2.7Å; H51-E54 IonicContact ND1-OE2 2.68Å; H51-C55 WeakPolarHBondContact O-CB 3.44Å; H51-C55 PolarHBondContact O-N 2.96Å
52	C	90	Very high	86.8	Confident	63 Å²	63	65.8 Å²	65.8	43%	0.426	33%	0.329	S	S	.	.	H	α-helix	trans	-61.9	-47.8	172.6	-69.8	0	0	0	0	111.1	T48 W49 K50 E54 C55 V56 F70	T48-C52 PolarHBondContact O-N 2.88Å; T48-C52 PolarHBondContact O-SG 3.12Å; W49-C52 PolarHBondContact O-N 3.18Å; K50-C52 PolarHBondContact O-N 2.85Å; C52-E54 PolarHBondContact O-N 3.48Å; C52-C55 WeakPolarHBondContact O-CB 3.48Å; C52-C55 PolarHBondContact O-N 3.47Å; C52-V56 WeakPolarHBondContact O-CG2 3.31Å; C52-V56 PolarHBondContact O-N 2.84Å; C52-F70 HydrophobicContact CB-CE2 4.15Å; C52-F70 HydrophobicContact CB-CZ 3.7Å
53	L	91.5	Very high	87.8	Confident	34 Å²	34	64.8 Å²	64.8	18%	0.178	32%	0.323	C	S	.	.	H	α-helix	trans	-58	-49.3	176.9	178.3	62.8	0	0	0	111.5	W49 K50 C55 V56 Q57 F70 D79 L80	W49-L53 WeakPolarHBondContact O-CB 3.39Å; W49-L53 PolarHBondContact O-N 3.04Å; K50-L53 PolarHBondContact O-N 3.29Å; L53-C55 VanDerWaalsContact C-N 3.27Å; L53-C55 PolarHBondContact O-N 2.78Å; L53-V56 PolarHBondContact O-N 2.98Å; L53-Q57 HydrophobicContact CD1-CG 4.19Å; L53-Q57 HydrophobicContact CG-CG 4.35Å; L53-Q57 WeakPolarHBondContact O-CB 3.28Å; L53-Q57 VanDerWaalsContact O-CG 3.25Å; L53-Q57 WeakPolarHBondContact O-CG 3.48Å; L53-Q57 PolarHBondContact O-N 3.17Å; L53-F70 HydrophobicContact CB-CD1 4.31Å; L53-F70 HydrophobicContact CB-CE1 3.9Å; L53-F70 HydrophobicContact CD1-CD1 3.75Å; L53-F70 HydrophobicContact CD1-CE1 4.2Å; L53-D79 HydrophobicContact CD1-CB 4.39Å; L53-L80 HydrophobicContact CD1-CB 3.91Å
54	E	89.7	Confident	89.1	Confident	76 Å²	76	55.3 Å²	55.3	36%	0.355	29%	0.291	S	S	.	.	H	α-helix	trans	-58.7	-38.3	177.1	-76.5	178.8	-169.8	0	0	112.6	K50 H51 C52 K58	K50-E54 WeakPolarHBondContact O-CG 3.41Å; K50-E54 PolarHBondContact O-N 3.39Å; H51-E54 IonicContact ND1-OE2 2.68Å; C52-E54 PolarHBondContact O-N 3.48Å; E54-K58 WeakPolarHBondContact O-CD 3.45Å; E54-K58 WeakPolarHBondContact O-CG 3.43Å; E54-K58 PolarHBondContact O-N 3.18Å; E54-K58 VanDerWaalsContact O-N 3.12Å; E54-K58 IonicContact OE2-NZ 2.77Å
55	C	91.2	Very high	89.6	Confident	51 Å²	51	56.4 Å²	56.4	35%	0.345	30%	0.3	S	S	.	.	H	α-helix	trans	-64.1	-51.4	176.7	-170	0	0	0	0	110.4	H51 C52 L53 Q57 K58 F59	H51-C55 WeakPolarHBondContact O-CB 3.44Å; H51-C55 PolarHBondContact O-N 2.96Å; C52-C55 WeakPolarHBondContact O-CB 3.48Å; C52-C55 PolarHBondContact O-N 3.47Å; L53-C55 VanDerWaalsContact C-N 3.27Å; L53-C55 PolarHBondContact O-N 2.78Å; C55-Q57 VanDerWaalsContact C-N 3.33Å; C55-Q57 PolarHBondContact O-N 3.19Å; C55-K58 PolarHBondContact O-N 2.83Å; C55-F59 VanDerWaalsContact O-CD2 3.25Å; C55-F59 WeakPolarHBondContact O-CD2 3.18Å; C55-F59 PolarHBondContact O-N 3.19Å; C55-F59 VanDerWaalsContact O-N 3.13Å
56	V	93.1	Very high	90.1	Very high	34 Å²	34	55.9 Å²	55.9	21%	0.206	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-40.2	179.6	-177	0	0	0	0	111.1	C52 L53 K58 F59 S60 F68 F70 L80	C52-V56 WeakPolarHBondContact O-CG2 3.31Å; C52-V56 PolarHBondContact O-N 2.84Å; L53-V56 PolarHBondContact O-N 2.98Å; V56-K58 PolarHBondContact O-N 2.84Å; V56-F59 PolarHBondContact O-N 3.34Å; V56-S60 WeakPolarHBondContact O-CB 3.36Å; V56-S60 PolarHBondContact O-N 3.17Å; V56-S60 PolarHBondContact O-OG 2.91Å; V56-F68 HydrophobicContact CG1-CB 4.31Å; V56-F68 HydrophobicContact CG1-CD1 4.05Å; V56-F70 HydrophobicContact CG1-CB 4.39Å; V56-F70 HydrophobicContact CG2-CD2 3.95Å; V56-F70 HydrophobicContact CG2-CE2 4.32Å; V56-F70 HydrophobicContact CG2-CG 4.5Å; V56-L80 HydrophobicContact CB-CD2 4.27Å; V56-L80 HydrophobicContact CG1-CD2 3.71Å
57	Q	92.4	Very high	90.4	Very high	22 Å²	22	54.8 Å²	54.8	10%	0.103	29%	0.288	C	S	.	.	H	α-helix	trans	-58.3	-44.7	175.1	-75.5	174.3	-31.8	0	0	112.4	L53 C55 F59 S60 I61 L80 C95	L53-Q57 HydrophobicContact CD1-CG 4.19Å; L53-Q57 HydrophobicContact CG-CG 4.35Å; L53-Q57 WeakPolarHBondContact O-CB 3.28Å; L53-Q57 VanDerWaalsContact O-CG 3.25Å; L53-Q57 WeakPolarHBondContact O-CG 3.48Å; L53-Q57 PolarHBondContact O-N 3.17Å; C55-Q57 VanDerWaalsContact C-N 3.33Å; C55-Q57 PolarHBondContact O-N 3.19Å; Q57-F59 PolarHBondContact O-N 2.84Å; Q57-S60 WeakPolarHBondContact CA-OG 3.19Å; Q57-S60 PolarHBondContact O-N 3.46Å; Q57-S60 PolarHBondContact O-OG 3.34Å; Q57-I61 WeakPolarHBondContact O-CD1 3.31Å; Q57-I61 VanDerWaalsContact O-CG1 3.27Å; Q57-I61 WeakPolarHBondContact O-CG1 3.34Å; Q57-I61 PolarHBondContact O-N 3.22Å; Q57-I61 VanDerWaalsContact O-N 3.1Å; Q57-L80 HydrophobicContact CG-CD1 4.38Å; Q57-L80 HydrophobicContact CG-CD2 3.91Å; Q57-C95 HydrophobicContact CB-CB 4.41Å; Q57-C95 HydrophobicContact CG-CB 4.11Å; Q57-C95 PolarHBondContact NE2-O 3.48Å; Q57-C95 VanDerWaalsContact NE2-O 3.07Å
58	K	93.3	Very high	91	Very high	50 Å²	50	52.2 Å²	52.2	22%	0.217	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-43	178	-70.4	163.2	-170	163.9	0	111.3	E54 C55 V56 H62 F135 F137 L142	E54-K58 WeakPolarHBondContact O-CD 3.45Å; E54-K58 WeakPolarHBondContact O-CG 3.43Å; E54-K58 PolarHBondContact O-N 3.18Å; E54-K58 VanDerWaalsContact O-N 3.12Å; E54-K58 IonicContact OE2-NZ 2.77Å; C55-K58 PolarHBondContact O-N 2.83Å; V56-K58 PolarHBondContact O-N 2.84Å; K58-H62 PolarHBondContact O-N 2.77Å; K58-F135 HydrophobicContact CB-CD2 4.07Å; K58-F135 HydrophobicContact CB-CE2 4.15Å; K58-F135 HydrophobicContact CD-CB 4.21Å; K58-F135 HydrophobicContact CD-CG 4.31Å; K58-F135 HydrophobicContact CG-CB 4.32Å; K58-F135 HydrophobicContact CG-CD1 4.21Å; K58-F135 HydrophobicContact CG-CD2 3.84Å; K58-F135 HydrophobicContact CG-CE1 4.5Å; K58-F135 HydrophobicContact CG-CE2 4.11Å; K58-F135 HydrophobicContact CG-CG 3.87Å; K58-F135 HydrophobicContact CG-CZ 4.44Å; K58-F137 HydrophobicContact CB-CE2 4.24Å; K58-F137 HydrophobicContact CB-CZ 4.34Å; K58-F137 WeakPolarHBondContact O-CE2 3.38Å; K58-L142 HydrophobicContact CB-CD1 4.45Å; K58-L142 HydrophobicContact CB-CD2 4.43Å; K58-L142 HydrophobicContact CD-CD1 4.09Å; K58-L142 HydrophobicContact CD-CD2 3.91Å
59	F	94	Very high	91.3	Very high	61 Å²	61	54.3 Å²	54.3	27%	0.268	29%	0.288	S	S	.	.	H	α-helix	trans	-69.3	-37.7	177.4	-80.9	-71.4	0	0	0	113	C55 V56 Q57 I61 H62 F63 F68 F137 L142	C55-F59 VanDerWaalsContact O-CD2 3.25Å; C55-F59 WeakPolarHBondContact O-CD2 3.18Å; C55-F59 PolarHBondContact O-N 3.19Å; C55-F59 VanDerWaalsContact O-N 3.13Å; V56-F59 PolarHBondContact O-N 3.34Å; Q57-F59 PolarHBondContact O-N 2.84Å; F59-I61 VanDerWaalsContact C-N 3.3Å; F59-I61 PolarHBondContact O-N 3.27Å; F59-H62 PolarHBondContact O-N 3.41Å; F59-F63 HydrophobicContact CD1-CD2 4.09Å; F59-F63 AromaticContact CD1-CE2 3.75Å; F59-F63 HydrophobicContact CD1-CE2 3.75Å; F59-F63 HydrophobicContact CE1-CE2 4.24Å; F59-F63 PolarHBondContact O-N 3.13Å; F59-F68 HydrophobicContact CB-CE1 4.34Å; F59-F68 HydrophobicContact CB-CZ 4.39Å; F59-F137 AromaticContact CD1-CE1 3.7Å; F59-F137 HydrophobicContact CD1-CE1 3.7Å; F59-F137 AromaticContact CD1-CZ 3.93Å; F59-F137 HydrophobicContact CD1-CZ 3.93Å; F59-F137 AromaticContact CE1-CE1 3.61Å; F59-F137 HydrophobicContact CE1-CE1 3.61Å; F59-F137 HydrophobicContact CE1-CZ 4.15Å; F59-F137 HydrophobicContact CG-CZ 4.31Å; F59-F137 HydrophobicContact CZ-CE1 4.32Å; F59-L142 HydrophobicContact CE2-CB 4.43Å; F59-L142 HydrophobicContact CE2-CD2 4.33Å; F59-L142 HydrophobicContact CZ-CB 4.06Å
60	S	93.4	Very high	91.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.3	-33.3	177.1	61	0	0	0	0	112.5	V56 Q57 N91 C95	V56-S60 WeakPolarHBondContact O-CB 3.36Å; V56-S60 PolarHBondContact O-N 3.17Å; V56-S60 PolarHBondContact O-OG 2.91Å; Q57-S60 WeakPolarHBondContact CA-OG 3.19Å; Q57-S60 PolarHBondContact O-N 3.46Å; Q57-S60 PolarHBondContact O-OG 3.34Å; S60-N91 PolarHBondContact O-ND2 3.24Å; S60-C95 PolarHBondContact OG-SG 3.28Å; S60-C95 VanDerWaalsContact OG-SG 3.35Å
61	I	92.6	Very high	91.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.6	-39.2	173.8	-67	164.5	0	0	0	110.9	Q57 F59 V88 N91 I92 C95 F96 F135 Y169	Q57-I61 WeakPolarHBondContact O-CD1 3.31Å; Q57-I61 VanDerWaalsContact O-CG1 3.27Å; Q57-I61 WeakPolarHBondContact O-CG1 3.34Å; Q57-I61 PolarHBondContact O-N 3.22Å; Q57-I61 VanDerWaalsContact O-N 3.1Å; F59-I61 VanDerWaalsContact C-N 3.3Å; F59-I61 PolarHBondContact O-N 3.27Å; I61-V88 HydrophobicContact CG2-CG1 3.88Å; I61-N91 HydrophobicContact CG1-CB 4.44Å; I61-I92 HydrophobicContact CD1-CG1 3.99Å; I61-I92 HydrophobicContact CG1-CG1 4.01Å; I61-I92 HydrophobicContact CG2-CD1 4.3Å; I61-I92 HydrophobicContact CG2-CG1 4Å; I61-C95 HydrophobicContact CD1-CB 4.46Å; I61-F96 HydrophobicContact CD1-CE2 3.67Å; I61-F96 HydrophobicContact CD1-CZ 4.42Å; I61-F135 HydrophobicContact CB-CZ 4.36Å; I61-F135 HydrophobicContact CD1-CZ 3.84Å; I61-F135 HydrophobicContact CG2-CZ 4.14Å; I61-Y169 HydrophobicContact CG2-CD1 3.8Å; I61-Y169 HydrophobicContact CG2-CE1 3.96Å; I61-Y169 HydrophobicContact CG2-CG 4.12Å
62	H	94.3	Very high	91.6	Very high	17 Å²	17	52.4 Å²	52.4	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-75.1	-32.5	-177.7	-177.4	65.9	0	0	0	114	K58 F59 P64 F137 D140 Y169 S171	K58-H62 PolarHBondContact O-N 2.77Å; F59-H62 PolarHBondContact O-N 3.41Å; H62-P64 WeakPolarHBondContact O-CD 3.34Å; H62-F137 HydrophobicContact CB-CD1 4.1Å; H62-F137 HydrophobicContact CB-CD2 3.95Å; H62-F137 HydrophobicContact CB-CE1 3.85Å; H62-F137 HydrophobicContact CB-CE2 3.67Å; H62-F137 HydrophobicContact CB-CG 4.15Å; H62-F137 HydrophobicContact CB-CZ 3.63Å; H62-F137 AromaticContact CD2-CD1 3.31Å; H62-F137 WeakPolarHBondContact CD2-CD1 3.27Å; H62-F137 AromaticContact CD2-CE1 3.53Å; H62-F137 AromaticContact CD2-CG 3.86Å; H62-F137 AromaticContact CE1-CD1 3.9Å; H62-F137 AromaticContact CE1-CG 3.82Å; H62-F137 AromaticContact CG-CD1 3.49Å; H62-F137 VanDerWaalsContact CG-CD1 3.49Å; H62-F137 AromaticContact CG-CD2 3.89Å; H62-F137 AromaticContact CG-CE1 3.69Å; H62-F137 AromaticContact CG-CG 3.59Å; H62-F137 AromaticContact CG-CZ 3.97Å; H62-F137 AromaticContact ND1-CD1 3.84Å; H62-F137 AromaticContact ND1-CD2 3.96Å; H62-F137 AromaticContact ND1-CG 3.55Å; H62-F137 AromaticContact NE2-CD1 3.58Å; H62-F137 AromaticContact NE2-CG 3.99Å; H62-D140 IonicContact CE1-OD1 3.92Å; H62-D140 WeakPolarHBondContact NE2-CA 3.5Å; H62-D140 IonicContact NE2-OD1 2.63Å; H62-D140 PolarHBondContact NE2-OD1 3.48Å; H62-Y169 WeakPolarHBondContact CA-OH 3.4Å; H62-Y169 HydrophobicContact CB-CE2 4.33Å; H62-Y169 AromaticContact ND1-CZ 3.86Å; H62-Y169 PolarHBondContact ND1-OH 2.94Å; H62-S171 PolarHBondContact CE1-OG 3.13Å
63	F	93.2	Very high	91	Very high	58 Å²	58	58.9 Å²	58.9	25%	0.254	30%	0.302	S	S	.	.			trans	-112.3	73.4	179.6	-63.5	-62.2	0	0	0	112.5	F59 T65 I66 F68 D140	F59-F63 HydrophobicContact CD1-CD2 4.09Å; F59-F63 AromaticContact CD1-CE2 3.75Å; F59-F63 HydrophobicContact CD1-CE2 3.75Å; F59-F63 HydrophobicContact CE1-CE2 4.24Å; F59-F63 PolarHBondContact O-N 3.13Å; F63-T65 PolarHBondContact O-N 3.46Å; F63-I66 HydrophobicContact CB-CB 4.44Å; F63-I66 HydrophobicContact CB-CD1 4.18Å; F63-I66 HydrophobicContact CB-CG1 4.43Å; F63-I66 PolarHBondContact O-N 3.09Å; F63-I66 VanDerWaalsContact O-N 3.12Å; F63-F68 HydrophobicContact CB-CE2 4.13Å; F63-F68 HydrophobicContact CB-CZ 4.29Å; F63-D140 HydrophobicContact CE1-CB 4.34Å; F63-D140 HydrophobicContact CZ-CB 4.05Å
64	P	90.6	Very high	90.3	Very high	30 Å²	30	66 Å²	66	20%	0.195	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-25	-176.9	21.2	-31.3	0	0	0	114.9	H62 I66 N85 A86 V88	H62-P64 WeakPolarHBondContact O-CD 3.34Å; P64-I66 PolarHBondContact O-N 3.45Å; P64-N85 PolarHBondContact O-N 2.68Å; P64-A86 WeakPolarHBondContact CB-O 3.4Å; P64-A86 PolarHBondContact O-N 3.15Å; P64-V88 HydrophobicContact CB-CG2 4.48Å; P64-V88 HydrophobicContact CG-CG2 4.1Å
65	T	90.1	Very high	89.7	Confident	92 Å²	92	67.4 Å²	67.4	56%	0.564	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.8	178.4	52.8	0	0	0	0	112.8	F63	F63-T65 PolarHBondContact O-N 3.46Å
66	I	91.6	Very high	88.8	Confident	85 Å²	85	74 Å²	74	44%	0.436	37%	0.37	S	S	.	.	S	Bend	trans	-106.2	128.6	-176.5	-56.3	175.7	0	0	0	109.4	F63 P64 F68	F63-I66 HydrophobicContact CB-CB 4.44Å; F63-I66 HydrophobicContact CB-CD1 4.18Å; F63-I66 HydrophobicContact CB-CG1 4.43Å; F63-I66 PolarHBondContact O-N 3.09Å; F63-I66 VanDerWaalsContact O-N 3.12Å; P64-I66 PolarHBondContact O-N 3.45Å; I66-F68 HydrophobicContact CB-CD2 4.47Å; I66-F68 HydrophobicContact CB-CE2 3.78Å; I66-F68 HydrophobicContact CB-CZ 4.27Å; I66-F68 HydrophobicContact CG2-CD2 4.3Å; I66-F68 HydrophobicContact CG2-CE2 3.81Å; I66-F68 HydrophobicContact CG2-CZ 4.04Å; I66-F68 VanDerWaalsContact O-CD2 3.22Å; I66-F68 WeakPolarHBondContact O-CD2 3.4Å; I66-F68 WeakPolarHBondContact O-CE2 3.35Å
67	G	90.7	Very high	88.2	Confident	39 Å²	39	77.5 Å²	77.5	40%	0.402	39%	0.391	S	S	.	.			trans	-79.9	126.8	171.4	0	0	0	0	0	111.1	T82	G67-T82 WeakPolarHBondContact CA-O 3.35Å
68	F	92.8	Very high	87.7	Confident	44 Å²	44	78.2 Å²	78.2	19%	0.193	40%	0.399	C	S	.	.			trans	-106.8	142.9	177.8	-69.5	-98.2	0	0	0	110.1	V56 F59 F63 I66 K81 T82	V56-F68 HydrophobicContact CG1-CB 4.31Å; V56-F68 HydrophobicContact CG1-CD1 4.05Å; F59-F68 HydrophobicContact CB-CE1 4.34Å; F59-F68 HydrophobicContact CB-CZ 4.39Å; F63-F68 HydrophobicContact CB-CE2 4.13Å; F63-F68 HydrophobicContact CB-CZ 4.29Å; I66-F68 HydrophobicContact CB-CD2 4.47Å; I66-F68 HydrophobicContact CB-CE2 3.78Å; I66-F68 HydrophobicContact CB-CZ 4.27Å; I66-F68 HydrophobicContact CG2-CD2 4.3Å; I66-F68 HydrophobicContact CG2-CE2 3.81Å; I66-F68 HydrophobicContact CG2-CZ 4.04Å; I66-F68 VanDerWaalsContact O-CD2 3.22Å; I66-F68 WeakPolarHBondContact O-CD2 3.4Å; I66-F68 WeakPolarHBondContact O-CE2 3.35Å; F68-K81 CarbonylContact O-C 3.51Å; F68-K81 WeakPolarHBondContact O-CA 3.35Å; F68-T82 PolarHBondContact N-OG1 3.05Å; F68-T82 PolarHBondContact O-N 3.14Å
69	T	91	Very high	87.2	Confident	89 Å²	89	78.7 Å²	78.7	55%	0.546	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	126.3	169.9	-61.6	0	0	0	0	108.8	L80	T69-L80 CarbonylContact C-O 3.55Å; T69-L80 WeakPolarHBondContact CA-O 3.33Å
70	F	91.9	Very high	86.9	Confident	34 Å²	34	76 Å²	76	15%	0.149	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.4	177.1	-171.8	-108.7	0	0	0	108.5	W49 C52 L53 V56 S78 D79 L80	W49-F70 AromaticContact CD2-CE1 3.96Å; W49-F70 HydrophobicContact CD2-CE1 3.96Å; W49-F70 HydrophobicContact CD2-CZ 4.05Å; W49-F70 AromaticContact CE2-CE1 3.31Å; W49-F70 AromaticContact CE2-CZ 3.81Å; W49-F70 HydrophobicContact CE3-CE1 4.37Å; W49-F70 HydrophobicContact CE3-CZ 4.03Å; W49-F70 HydrophobicContact CH2-CD1 4.22Å; W49-F70 AromaticContact CH2-CE1 3.57Å; W49-F70 HydrophobicContact CH2-CE1 3.57Å; W49-F70 HydrophobicContact CH2-CE2 4.13Å; W49-F70 AromaticContact CH2-CZ 3.49Å; W49-F70 HydrophobicContact CH2-CZ 3.49Å; W49-F70 VanDerWaalsContact CH2-CZ 3.49Å; W49-F70 AromaticContact CZ2-CD1 3.69Å; W49-F70 HydrophobicContact CZ2-CD1 3.69Å; W49-F70 AromaticContact CZ2-CE1 3.09Å; W49-F70 HydrophobicContact CZ2-CE1 3.09Å; W49-F70 HydrophobicContact CZ2-CE2 4.46Å; W49-F70 AromaticContact CZ2-CZ 3.54Å; W49-F70 HydrophobicContact CZ2-CZ 3.54Å; W49-F70 HydrophobicContact CZ3-CE1 4.2Å; W49-F70 HydrophobicContact CZ3-CE2 4.46Å; W49-F70 AromaticContact CZ3-CZ 3.76Å; W49-F70 HydrophobicContact CZ3-CZ 3.76Å; W49-F70 AromaticContact NE1-CE1 3.76Å; C52-F70 HydrophobicContact CB-CE2 4.15Å; C52-F70 HydrophobicContact CB-CZ 3.7Å; L53-F70 HydrophobicContact CB-CD1 4.31Å; L53-F70 HydrophobicContact CB-CE1 3.9Å; L53-F70 HydrophobicContact CD1-CD1 3.75Å; L53-F70 HydrophobicContact CD1-CE1 4.2Å; V56-F70 HydrophobicContact CG1-CB 4.39Å; V56-F70 HydrophobicContact CG2-CD2 3.95Å; V56-F70 HydrophobicContact CG2-CE2 4.32Å; V56-F70 HydrophobicContact CG2-CG 4.5Å; F70-S78 CarbonylContact O-C 3.57Å; F70-S78 WeakPolarHBondContact O-CA 3.42Å; F70-D79 HydrophobicContact CD1-CB 4.3Å; F70-D79 PolarHBondContact O-N 3.17Å; F70-L80 HydrophobicContact CB-CB 4.06Å; F70-L80 PolarHBondContact N-O 3.34Å; F70-L80 PolarHBondContact O-N 3.4Å
71	K	89.6	Confident	86.8	Confident	147 Å²	147	83.1 Å²	83.1	64%	0.639	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.9	147.5	-174	65.5	175.4	-175.7	171.8	0	111	W49	W49-K71 WeakPolarHBondContact CH2-O 3.41Å
72	R	87	Confident	86.6	Confident	74 Å²	74	83.5 Å²	83.5	28%	0.279	43%	0.426	S	S	.	.			trans	-79.3	148.8	165.3	-64.1	-175.2	-178.6	-161.6	-4.8	109.2	W49 E74 K75 D79	W49-R72 HydrophobicContact CD2-CG 4.2Å; W49-R72 VanDerWaalsContact CE2-NE 3.29Å; W49-R72 HydrophobicContact CE3-CG 4.34Å; W49-R72 HydrophobicContact CH2-CB 4.21Å; W49-R72 HydrophobicContact CH2-CG 3.39Å; W49-R72 HydrophobicContact CZ2-CB 4.27Å; W49-R72 HydrophobicContact CZ2-CG 3.15Å; W49-R72 HydrophobicContact CZ3-CG 3.98Å; R72-E74 VanDerWaalsContact C-N 3.27Å; R72-E74 PolarHBondContact O-N 2.89Å; R72-K75 HydrophobicContact CB-CB 4.3Å; R72-K75 HydrophobicContact CB-CG 4.47Å; R72-K75 PolarHBondContact O-N 3.13Å; R72-D79 IonicContact NE-OD2 3.95Å
73	E	77.8	Confident	86.4	Confident	199 Å²	199	86.9 Å²	86.9	93%	0.93	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-38.6	174.7	-170.7	169.9	-170.5	0	0	111.6	K75	E73-K75 VanDerWaalsContact C-N 3.3Å; E73-K75 PolarHBondContact O-N 3.29Å
74	E	76.9	Confident	86.1	Confident	183 Å²	183	87.3 Å²	87.3	86%	0.855	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-11	-177.6	-59.9	174.5	174.7	0	0	114.6	R72	R72-E74 VanDerWaalsContact C-N 3.27Å; R72-E74 PolarHBondContact O-N 2.89Å
75	K	75.8	Confident	85.9	Confident	106 Å²	106	92.2 Å²	92.2	46%	0.461	49%	0.49	S	S	.	.			trans	-116.5	129.8	-176.2	-71.5	-172.6	177.3	-176.4	0	111.2	R72 E73 V77	R72-K75 HydrophobicContact CB-CB 4.3Å; R72-K75 HydrophobicContact CB-CG 4.47Å; R72-K75 PolarHBondContact O-N 3.13Å; E73-K75 VanDerWaalsContact C-N 3.3Å; E73-K75 PolarHBondContact O-N 3.29Å; K75-V77 PolarHBondContact O-N 3.17Å
76	L	72.9	Confident	85.7	Confident	190 Å²	190	88.7 Å²	88.7	100%	0.995	47%	0.47	S	S	*	.	S	Bend	trans	-64.5	-25.6	169.9	-89.4	106.8	0	0	0	113
77	V	80.8	Confident	85.7	Confident	108 Å²	108	87 Å²	87	66%	0.655	47%	0.466	S	S	*	.	S	Bend	trans	-92.3	128.4	-177.4	-174.9	0	0	0	0	110	K75	K75-V77 PolarHBondContact O-N 3.17Å
78	S	81.6	Confident	85.7	Confident	37 Å²	37	86.8 Å²	86.8	26%	0.259	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	131.8	171.1	53.2	0	0	0	0	110.8	F70 L80	F70-S78 CarbonylContact O-C 3.57Å; F70-S78 WeakPolarHBondContact O-CA 3.42Å; S78-L80 VanDerWaalsContact C-N 3.26Å; S78-L80 PolarHBondContact O-N 3.35Å
79	D	82.5	Confident	85.6	Confident	60 Å²	60	87.3 Å²	87.3	32%	0.321	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-24.6	175.4	-71.2	-27.9	0	0	0	111.8	W49 L53 F70 R72	W49-D79 VanDerWaalsContact CE2-OD2 3.23Å; W49-D79 WeakPolarHBondContact CZ2-OD2 3.49Å; W49-D79 PolarHBondContact NE1-OD2 3Å; L53-D79 HydrophobicContact CD1-CB 4.39Å; F70-D79 HydrophobicContact CD1-CB 4.3Å; F70-D79 PolarHBondContact O-N 3.17Å; R72-D79 IonicContact NE-OD2 3.95Å
80	L	88	Confident	85.5	Confident	5 Å²	5	87.4 Å²	87.4	3%	0.026	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	135.8	170.9	174.4	69.6	0	0	0	109.8	L53 V56 Q57 T69 F70 S78 T82 C95	L53-L80 HydrophobicContact CD1-CB 3.91Å; V56-L80 HydrophobicContact CB-CD2 4.27Å; V56-L80 HydrophobicContact CG1-CD2 3.71Å; Q57-L80 HydrophobicContact CG-CD1 4.38Å; Q57-L80 HydrophobicContact CG-CD2 3.91Å; T69-L80 CarbonylContact C-O 3.55Å; T69-L80 WeakPolarHBondContact CA-O 3.33Å; F70-L80 HydrophobicContact CB-CB 4.06Å; F70-L80 PolarHBondContact N-O 3.34Å; F70-L80 PolarHBondContact O-N 3.4Å; S78-L80 VanDerWaalsContact C-N 3.26Å; S78-L80 PolarHBondContact O-N 3.35Å; L80-T82 HydrophobicContact CD1-CG2 4.22Å; L80-C95 HydrophobicContact CD1-CB 4.33Å; L80-C95 VanDerWaalsContact CD1-SG 3.53Å
81	K	90.4	Very high	85.4	Confident	148 Å²	148	85.9 Å²	85.9	64%	0.643	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.4	124.5	171.5	-174.4	176.9	-179.7	-178	0	109.5	F68	F68-K81 CarbonylContact O-C 3.51Å; F68-K81 WeakPolarHBondContact O-CA 3.35Å
82	T	89.9	Confident	85.4	Confident	9 Å²	9	78.9 Å²	78.9	6%	0.055	42%	0.421	C	S	.	.			trans	-117.8	147.3	172.7	63.4	0	0	0	0	110.5	G67 F68 L80 N91 A94	G67-T82 WeakPolarHBondContact CA-O 3.35Å; F68-T82 PolarHBondContact N-OG1 3.05Å; F68-T82 PolarHBondContact O-N 3.14Å; L80-T82 HydrophobicContact CD1-CG2 4.22Å; T82-N91 WeakPolarHBondContact CB-OD1 3.11Å; T82-N91 HydrophobicContact CG2-CB 4.44Å; T82-A94 HydrophobicContact CG2-CB 4.41Å
83	S	88.8	Confident	85.4	Confident	88 Å²	88	76.7 Å²	76.7	62%	0.615	42%	0.419	S	S	*	.			trans	-77.7	148.5	175.5	-64.6	0	0	0	0	110.4
84	A	86.8	Confident	85.7	Confident	66 Å²	66	69.9 Å²	69.9	55%	0.545	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	140.1	168.5	0	0	0	0	0	109.7	A86	A84-A86 VanDerWaalsContact C-N 3.3Å; A84-A86 PolarHBondContact O-N 3.04Å
85	N	87.3	Confident	86.2	Confident	133 Å²	133	61.7 Å²	61.7	71%	0.711	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	32.8	-176.9	-53.8	-43.9	0	0	0	114.6	P64	P64-N85 PolarHBondContact O-N 2.68Å
86	A	86.6	Confident	86.4	Confident	19 Å²	19	59.7 Å²	59.7	16%	0.157	35%	0.351	C	S	.	.			trans	-75.9	165.4	170.5	0	0	0	0	0	110.9	P64 A84 D90 N91	P64-A86 WeakPolarHBondContact CB-O 3.4Å; P64-A86 PolarHBondContact O-N 3.15Å; A84-A86 VanDerWaalsContact C-N 3.3Å; A84-A86 PolarHBondContact O-N 3.04Å; A86-D90 HydrophobicContact CB-CB 4.09Å; A86-N91 WeakPolarHBondContact CB-OD1 3.43Å
87	S	90.1	Very high	86.7	Confident	50 Å²	50	53 Å²	53	35%	0.35	32%	0.32	S	S	.	.			trans	-80.7	163.1	168.4	71.4	0	0	0	0	111.6	L89 D90 N91	S87-L89 PolarHBondContact O-N 3.19Å; S87-D90 WeakPolarHBondContact CB-OD2 3.41Å; S87-D90 PolarHBondContact N-OD2 3.42Å; S87-D90 PolarHBondContact O-N 3.49Å; S87-D90 PolarHBondContact OG-N 2.9Å; S87-D90 PolarHBondContact OG-OD2 3.48Å; S87-N91 PolarHBondContact O-N 3.34Å
88	V	90.9	Very high	86.8	Confident	34 Å²	34	51 Å²	51	21%	0.206	31%	0.311	C	S	.	.	H	α-helix	trans	-56.8	-40	172.8	176.4	0	0	0	0	110.4	I61 P64 N91 I92 V121 Y169	I61-V88 HydrophobicContact CG2-CG1 3.88Å; P64-V88 HydrophobicContact CB-CG2 4.48Å; P64-V88 HydrophobicContact CG-CG2 4.1Å; V88-N91 PolarHBondContact O-N 2.87Å; V88-I92 HydrophobicContact CG1-CD1 4.03Å; V88-I92 VanDerWaalsContact O-CG1 3.28Å; V88-I92 WeakPolarHBondContact O-CG1 3.35Å; V88-I92 PolarHBondContact O-N 3.26Å; V88-V121 HydrophobicContact CG1-CG1 4.37Å; V88-Y169 HydrophobicContact CG1-CD1 4.12Å; V88-Y169 HydrophobicContact CG1-CE1 3.95Å
89	L	90.1	Very high	86.7	Confident	54 Å²	54	56.3 Å²	56.3	28%	0.283	33%	0.331	S	S	.	.	H	α-helix	trans	-66	-40.9	177.6	-64.6	177.2	0	0	0	112.4	S87 N91 I92 A93 V104 V121	S87-L89 PolarHBondContact O-N 3.19Å; L89-N91 VanDerWaalsContact C-N 3.32Å; L89-N91 PolarHBondContact O-N 3.13Å; L89-I92 PolarHBondContact O-N 3.3Å; L89-A93 PolarHBondContact O-N 2.86Å; L89-V104 HydrophobicContact CD2-CG2 3.65Å; L89-V121 HydrophobicContact CD2-CG1 4.18Å
90	D	90.2	Very high	86.6	Confident	92 Å²	92	54.1 Å²	54.1	49%	0.492	32%	0.32	S	S	.	.	H	α-helix	trans	-63.3	-41	175.7	-63.6	-40.4	0	0	0	111.2	A86 S87 A93 A94	A86-D90 HydrophobicContact CB-CB 4.09Å; S87-D90 WeakPolarHBondContact CB-OD2 3.41Å; S87-D90 PolarHBondContact N-OD2 3.42Å; S87-D90 PolarHBondContact O-N 3.49Å; S87-D90 PolarHBondContact OG-N 2.9Å; S87-D90 PolarHBondContact OG-OD2 3.48Å; D90-A93 WeakPolarHBondContact O-CB 3.27Å; D90-A93 PolarHBondContact O-N 2.79Å; D90-A94 WeakPolarHBondContact O-CB 3.37Å; D90-A94 PolarHBondContact O-N 2.68Å
91	N	90.1	Very high	86.4	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-67.5	-36.1	176.7	-75	-10.5	0	0	0	111.9	S60 I61 T82 A86 S87 V88 L89 A94 C95	S60-N91 PolarHBondContact O-ND2 3.24Å; I61-N91 HydrophobicContact CG1-CB 4.44Å; T82-N91 WeakPolarHBondContact CB-OD1 3.11Å; T82-N91 HydrophobicContact CG2-CB 4.44Å; A86-N91 WeakPolarHBondContact CB-OD1 3.43Å; S87-N91 PolarHBondContact O-N 3.34Å; V88-N91 PolarHBondContact O-N 2.87Å; L89-N91 VanDerWaalsContact C-N 3.32Å; L89-N91 PolarHBondContact O-N 3.13Å; N91-A94 PolarHBondContact O-N 3.47Å; N91-C95 VanDerWaalsContact O-CB 3.31Å; N91-C95 WeakPolarHBondContact O-CB 3.49Å; N91-C95 PolarHBondContact O-N 3.38Å; N91-C95 PolarHBondContact O-SG 2.62Å
92	I	88	Confident	86.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63.8	-42.6	172	-70.3	166.6	0	0	0	110.8	I61 V88 L89 A94 C95 F96 V100 A101 V121 F167	I61-I92 HydrophobicContact CD1-CG1 3.99Å; I61-I92 HydrophobicContact CG1-CG1 4.01Å; I61-I92 HydrophobicContact CG2-CD1 4.3Å; I61-I92 HydrophobicContact CG2-CG1 4Å; V88-I92 HydrophobicContact CG1-CD1 4.03Å; V88-I92 VanDerWaalsContact O-CG1 3.28Å; V88-I92 WeakPolarHBondContact O-CG1 3.35Å; V88-I92 PolarHBondContact O-N 3.26Å; L89-I92 PolarHBondContact O-N 3.3Å; I92-A94 VanDerWaalsContact C-N 3.32Å; I92-A94 PolarHBondContact O-N 3.12Å; I92-C95 PolarHBondContact O-N 2.98Å; I92-F96 HydrophobicContact CG2-CD2 4.27Å; I92-F96 PolarHBondContact O-N 2.72Å; I92-V100 HydrophobicContact CG2-CB 4.4Å; I92-V100 HydrophobicContact CG2-CG1 3.8Å; I92-A101 HydrophobicContact CG2-CB 4.27Å; I92-V121 HydrophobicContact CD1-CG2 3.43Å; I92-V121 VanDerWaalsContact CD1-CG2 3.43Å; I92-F167 HydrophobicContact CD1-CE1 3.96Å; I92-F167 HydrophobicContact CD1-CZ 4.23Å; I92-F167 HydrophobicContact CG1-CE1 4.43Å; I92-F167 HydrophobicContact CG1-CZ 4.2Å; I92-F167 HydrophobicContact CG2-CZ 4.3Å
93	A	87.2	Confident	85.8	Confident	28 Å²	28	57.2 Å²	57.2	23%	0.231	33%	0.332	C	S	.	.	H	α-helix	trans	-62.1	-40.3	176.4	0	0	0	0	0	111.9	L89 D90 C97 A101	L89-A93 PolarHBondContact O-N 2.86Å; D90-A93 WeakPolarHBondContact O-CB 3.27Å; D90-A93 PolarHBondContact O-N 2.79Å; A93-C97 CarbonylContact O-C 3.59Å; A93-C97 WeakPolarHBondContact O-CA 3.03Å; A93-C97 PolarHBondContact O-N 3.49Å; A93-A101 HydrophobicContact CB-CB 3.74Å
94	A	85.8	Confident	85.8	Confident	56 Å²	56	53.6 Å²	53.6	46%	0.463	31%	0.307	S	S	.	.	H	α-helix	trans	-71.7	-35.2	177.3	0	0	0	0	0	113.2	T82 D90 N91 I92	T82-A94 HydrophobicContact CG2-CB 4.41Å; D90-A94 WeakPolarHBondContact O-CB 3.37Å; D90-A94 PolarHBondContact O-N 2.68Å; N91-A94 PolarHBondContact O-N 3.47Å; I92-A94 VanDerWaalsContact C-N 3.32Å; I92-A94 PolarHBondContact O-N 3.12Å
95	C	85.6	Confident	85.9	Confident	12 Å²	12	53.6 Å²	53.6	8%	0.081	30%	0.3	C	S	.	.	H	α-helix	trans	-78.6	-37.4	-178	-69.5	0	0	0	0	113.5	Q57 S60 I61 L80 N91 I92	Q57-C95 HydrophobicContact CB-CB 4.41Å; Q57-C95 HydrophobicContact CG-CB 4.11Å; Q57-C95 PolarHBondContact NE2-O 3.48Å; Q57-C95 VanDerWaalsContact NE2-O 3.07Å; S60-C95 PolarHBondContact OG-SG 3.28Å; S60-C95 VanDerWaalsContact OG-SG 3.35Å; I61-C95 HydrophobicContact CD1-CB 4.46Å; L80-C95 HydrophobicContact CD1-CB 4.33Å; L80-C95 VanDerWaalsContact CD1-SG 3.53Å; N91-C95 VanDerWaalsContact O-CB 3.31Å; N91-C95 WeakPolarHBondContact O-CB 3.49Å; N91-C95 PolarHBondContact O-N 3.38Å; N91-C95 PolarHBondContact O-SG 2.62Å; I92-C95 PolarHBondContact O-N 2.98Å
96	F	81.3	Confident	86.2	Confident	64 Å²	64	53.4 Å²	53.4	28%	0.281	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-75.4	-172.6	-58.2	-72.4	0	0	0	111.7	I61 I92 V100 L133 F167	I61-F96 HydrophobicContact CD1-CE2 3.67Å; I61-F96 HydrophobicContact CD1-CZ 4.42Å; I92-F96 HydrophobicContact CG2-CD2 4.27Å; I92-F96 PolarHBondContact O-N 2.72Å; F96-V100 HydrophobicContact CB-CB 4.3Å; F96-V100 HydrophobicContact CB-CG2 4.05Å; F96-L133 HydrophobicContact CD1-CD1 3.8Å; F96-L133 HydrophobicContact CE1-CD1 3.4Å; F96-L133 VanDerWaalsContact CE1-CD1 3.4Å; F96-L133 HydrophobicContact CE1-CD2 4.21Å; F96-L133 HydrophobicContact CE1-CG 4.45Å; F96-L133 HydrophobicContact CE2-CD1 4.5Å; F96-L133 HydrophobicContact CZ-CD1 3.8Å; F96-L133 HydrophobicContact CZ-CD2 4.42Å; F96-F167 AromaticContact CD2-CE2 3.88Å; F96-F167 HydrophobicContact CD2-CE2 3.88Å; F96-F167 HydrophobicContact CD2-CZ 4.36Å; F96-F167 AromaticContact CE2-CE2 3.46Å; F96-F167 HydrophobicContact CE2-CE2 3.46Å; F96-F167 VanDerWaalsContact CE2-CE2 3.46Å; F96-F167 AromaticContact CE2-CZ 3.9Å; F96-F167 HydrophobicContact CE2-CZ 3.9Å; F96-F167 HydrophobicContact CZ-CE2 4.01Å
97	C	79.6	Confident	86.5	Confident	49 Å²	49	53.1 Å²	53.1	33%	0.331	29%	0.29	S	S	.	.			trans	-175.4	163.9	169.8	61	0	0	0	0	109.5	A93 E99 V100 A101	A93-C97 CarbonylContact O-C 3.59Å; A93-C97 WeakPolarHBondContact O-CA 3.03Å; A93-C97 PolarHBondContact O-N 3.49Å; C97-E99 PolarHBondContact O-N 3.4Å; C97-V100 PolarHBondContact O-N 2.97Å; C97-V100 VanDerWaalsContact SG-CG2 3.55Å; C97-A101 PolarHBondContact O-N 2.98Å
98	S	81.5	Confident	86.6	Confident	67 Å²	67	57.6 Å²	57.6	47%	0.469	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-25.1	177.6	-48.9	0	0	0	0	113.7	A101 R102	S98-A101 PolarHBondContact O-N 3.37Å; S98-R102 WeakPolarHBondContact O-CG 3.31Å; S98-R102 PolarHBondContact O-N 3.22Å
99	E	79	Confident	86.6	Confident	148 Å²	148	56.8 Å²	56.8	69%	0.692	30%	0.301	S	S	*	.	H	α-helix	trans	-67.1	-37.4	177.1	-61.3	-179.7	165	0	0	111.9	C97 R102 G103	C97-E99 PolarHBondContact O-N 3.4Å; E99-R102 PolarHBondContact O-N 3.28Å; E99-G103 PolarHBondContact O-N 3.14Å
100	V	81.4	Confident	86.6	Confident	14 Å²	14	60.1 Å²	60.1	9%	0.085	32%	0.315	C	S	.	.	H	α-helix	trans	-66	-44.5	174.8	177.5	0	0	0	0	109.8	I92 F96 C97 R102 G103 V104 Y127 F167	I92-V100 HydrophobicContact CG2-CB 4.4Å; I92-V100 HydrophobicContact CG2-CG1 3.8Å; F96-V100 HydrophobicContact CB-CB 4.3Å; F96-V100 HydrophobicContact CB-CG2 4.05Å; C97-V100 PolarHBondContact O-N 2.97Å; C97-V100 VanDerWaalsContact SG-CG2 3.55Å; V100-R102 VanDerWaalsContact C-N 3.3Å; V100-R102 PolarHBondContact O-N 3.22Å; V100-G103 PolarHBondContact O-N 3.3Å; V100-V104 WeakPolarHBondContact O-CG1 3.32Å; V100-V104 PolarHBondContact O-N 3.34Å; V100-Y127 HydrophobicContact CB-CE2 4.16Å; V100-Y127 HydrophobicContact CG1-CE2 3.95Å; V100-Y127 HydrophobicContact CG2-CE2 3.92Å; V100-F167 HydrophobicContact CG1-CD2 4.01Å; V100-F167 HydrophobicContact CG1-CE2 4.31Å; V100-F167 HydrophobicContact CG1-CG 4.19Å
101	A	83.5	Confident	86.4	Confident	18 Å²	18	57.3 Å²	57.3	15%	0.149	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-33.5	179	0	0	0	0	0	113.4	I92 A93 C97 S98 G103 V104	I92-A101 HydrophobicContact CG2-CB 4.27Å; A93-A101 HydrophobicContact CB-CB 3.74Å; C97-A101 PolarHBondContact O-N 2.98Å; S98-A101 PolarHBondContact O-N 3.37Å; A101-G103 VanDerWaalsContact C-N 3.33Å; A101-V104 WeakPolarHBondContact O-CG2 3.36Å
102	R	83.6	Confident	86	Confident	202 Å²	202	62.9 Å²	62.9	76%	0.762	34%	0.335	S	S	*	.	H	α-helix	trans	-73.6	-24.8	173.7	-69.7	179.6	-159.7	145.1	3.3	113.6	S98 E99 V100	S98-R102 WeakPolarHBondContact O-CG 3.31Å; S98-R102 PolarHBondContact O-N 3.22Å; E99-R102 PolarHBondContact O-N 3.28Å; V100-R102 VanDerWaalsContact C-N 3.3Å; V100-R102 PolarHBondContact O-N 3.22Å
103	G	84	Confident	85.6	Confident	7 Å²	7	71 Å²	71	7%	0.072	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.9	-175.6	0	0	0	0	0	114.4	E99 V100 A101 S123 T124	E99-G103 PolarHBondContact O-N 3.14Å; V100-G103 PolarHBondContact O-N 3.3Å; A101-G103 VanDerWaalsContact C-N 3.33Å; G103-S123 CarbonylContact O-C 3.57Å; G103-S123 WeakPolarHBondContact O-CA 3.33Å; G103-T124 PolarHBondContact O-N 3.49Å; G103-T124 PolarHBondContact O-OG1 2.84Å
104	V	88.5	Confident	85.1	Confident	12 Å²	12	71.9 Å²	71.9	7%	0.073	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	149.2	-176.8	-64	0	0	0	0	111.5	L89 V100 A101 V121 A122 F167	L89-V104 HydrophobicContact CD2-CG2 3.65Å; V100-V104 WeakPolarHBondContact O-CG1 3.32Å; V100-V104 PolarHBondContact O-N 3.34Å; A101-V104 WeakPolarHBondContact O-CG2 3.36Å; V104-V121 HydrophobicContact CB-CB 4.23Å; V104-V121 HydrophobicContact CB-CG2 4.33Å; V104-V121 HydrophobicContact CG2-CB 4.39Å; V104-V121 HydrophobicContact CG2-CG2 4.35Å; V104-A122 CarbonylContact C-O 3.43Å; V104-A122 VanDerWaalsContact CA-O 3.28Å; V104-A122 WeakPolarHBondContact CA-O 3.1Å; V104-F167 HydrophobicContact CG1-CB 4.38Å; V104-F167 HydrophobicContact CG1-CD1 3.62Å; V104-F167 HydrophobicContact CG1-CE1 4.31Å; V104-F167 HydrophobicContact CG1-CG 4.27Å
105	V	90.7	Very high	84.9	Confident	66 Å²	66	70.2 Å²	70.2	40%	0.4	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.8	178.1	171.6	0	0	0	0	108.7	V121 A122 T124 M209	V105-V121 CarbonylContact O-C 3.57Å; V105-V121 VanDerWaalsContact O-CA 3.26Å; V105-V121 WeakPolarHBondContact O-CA 2.94Å; V105-A122 PolarHBondContact N-O 2.87Å; V105-A122 PolarHBondContact O-N 3.2Å; V105-T124 HydrophobicContact CB-CG2 4.15Å; V105-T124 HydrophobicContact CG2-CG2 3.34Å; V105-M209 HydrophobicContact CB-CG 4.5Å; V105-M209 HydrophobicContact CB-SD 4.15Å; V105-M209 HydrophobicContact CG1-CG 4.28Å
106	E	92	Very high	85.1	Confident	128 Å²	128	70 Å²	70	60%	0.598	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	137.5	175.7	-70.5	177.7	177.1	0	0	111	G120 V121	E106-G120 CarbonylContact C-O 3.53Å; E106-G120 WeakPolarHBondContact CA-O 3.45Å; E106-V121 HydrophobicContact CG-CG1 3.9Å
107	I	92.8	Very high	85.6	Confident	14 Å²	14	70.8 Å²	70.8	7%	0.072	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.4	178.5	-59.7	-178	0	0	0	108.5	T119 G120 A122 A205 L206 M209	I107-T119 CarbonylContact O-C 3.58Å; I107-T119 WeakPolarHBondContact O-CA 3.5Å; I107-G120 PolarHBondContact N-O 3.07Å; I107-G120 PolarHBondContact O-N 2.98Å; I107-A122 HydrophobicContact CD1-CB 3.45Å; I107-A122 VanDerWaalsContact CD1-CB 3.45Å; I107-A122 HydrophobicContact CG1-CB 4.38Å; I107-A205 HydrophobicContact CG2-CB 4.18Å; I107-L206 HydrophobicContact CD1-CD2 3.3Å; I107-L206 HydrophobicContact CD1-CG 4.14Å; I107-M209 HydrophobicContact CD1-CB 4.17Å; I107-M209 HydrophobicContact CD1-CE 4.4Å; I107-M209 HydrophobicContact CD1-CG 4.16Å; I107-M209 HydrophobicContact CD1-SD 3.61Å; I107-M209 HydrophobicContact CG1-CB 4.45Å; I107-M209 HydrophobicContact CG1-CG 4.22Å; I107-M209 HydrophobicContact CG1-SD 4Å
108	E	92.2	Very high	86.2	Confident	143 Å²	143	68.5 Å²	68.5	67%	0.668	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.8	170.1	-57	-165	146.2	0	0	109.4	A118 T119	E108-A118 WeakPolarHBondContact CA-O 3.39Å; E108-T119 HydrophobicContact CG-CG2 4.07Å
109	C	91	Very high	86.8	Confident	17 Å²	17	67.3 Å²	67.3	12%	0.115	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	140.3	168.6	63	0	0	0	0	110.8	A118 V201 A205	C109-A118 PolarHBondContact N-O 2.98Å; C109-A118 PolarHBondContact O-N 3.46Å; C109-V201 HydrophobicContact CB-CG1 4.49Å; C109-A205 HydrophobicContact CB-CB 3.8Å
110	E	90	Very high	87.4	Confident	124 Å²	124	60.8 Å²	60.8	58%	0.579	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.5	179.7	-175.7	175.6	161.7	0	0	108.3	K117	E110-K117 HydrophobicContact CB-CG 4.41Å; E110-K117 HydrophobicContact CG-CB 4.26Å; E110-K117 HydrophobicContact CG-CG 4.47Å
111	D	87	Confident	87.9	Confident	33 Å²	33	60.2 Å²	60.2	18%	0.176	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	111.7	168.9	-164.8	-29.8	0	0	0	109.9	K113 F114 G115 F116	D111-K113 PolarHBondContact O-N 3.18Å; D111-K113 VanDerWaalsContact OD1-CB 3.25Å; D111-K113 WeakPolarHBondContact OD1-CB 3.17Å; D111-K113 PolarHBondContact OD1-N 3.27Å; D111-F114 HydrophobicContact CB-CD2 4.09Å; D111-F114 PolarHBondContact O-N 3.47Å; D111-F114 VanDerWaalsContact OD2-CD2 3.24Å; D111-F114 WeakPolarHBondContact OD2-CD2 3.28Å; D111-F114 WeakPolarHBondContact OD2-CE2 3.46Å; D111-G115 PolarHBondContact O-N 2.89Å; D111-F116 HydrophobicContact CB-CD1 4.24Å; D111-F116 HydrophobicContact CB-CE1 3.7Å; D111-F116 HydrophobicContact CB-CZ 4.38Å; D111-F116 PolarHBondContact N-O 3.32Å; D111-F116 VanDerWaalsContact N-O 3.09Å; D111-F116 PolarHBondContact O-N 3.42Å
112	T	81.5	Confident	88.4	Confident	119 Å²	119	59.3 Å²	59.3	73%	0.73	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-26.4	179	54.3	0	0	0	0	112.5
113	K	79.1	Confident	88.7	Confident	170 Å²	170	49.7 Å²	49.7	74%	0.739	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-45.1	179.1	-61.9	177.8	-179.8	175	0	111.1	D111	D111-K113 PolarHBondContact O-N 3.18Å; D111-K113 VanDerWaalsContact OD1-CB 3.25Å; D111-K113 WeakPolarHBondContact OD1-CB 3.17Å; D111-K113 PolarHBondContact OD1-N 3.27Å
114	F	78.2	Confident	88.8	Confident	46 Å²	46	50 Å²	50	20%	0.202	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-13.9	179.4	-55.5	-60	0	0	0	112.4	D111 F116 K178 Y194 E197 I198	D111-F114 HydrophobicContact CB-CD2 4.09Å; D111-F114 PolarHBondContact O-N 3.47Å; D111-F114 VanDerWaalsContact OD2-CD2 3.24Å; D111-F114 WeakPolarHBondContact OD2-CD2 3.28Å; D111-F114 WeakPolarHBondContact OD2-CE2 3.46Å; F114-F116 HydrophobicContact CB-CD1 3.88Å; F114-F116 HydrophobicContact CB-CE1 4.19Å; F114-K178 VanDerWaalsContact C-NZ 3.32Å; F114-K178 WeakPolarHBondContact O-CD 3.36Å; F114-K178 PolarHBondContact O-NZ 3.43Å; F114-Y194 HydrophobicContact CD1-CD1 4.3Å; F114-Y194 HydrophobicContact CD1-CD2 4.31Å; F114-Y194 AromaticContact CD1-CG 3.95Å; F114-Y194 HydrophobicContact CD1-CG 3.95Å; F114-E197 HydrophobicContact CD1-CB 3.88Å; F114-E197 HydrophobicContact CD1-CG 4.31Å; F114-E197 HydrophobicContact CD2-CB 4.04Å; F114-E197 HydrophobicContact CE1-CB 3.58Å; F114-E197 HydrophobicContact CE1-CG 3.61Å; F114-E197 HydrophobicContact CE2-CB 3.75Å; F114-E197 HydrophobicContact CE2-CG 4.39Å; F114-E197 HydrophobicContact CG-CB 4.11Å; F114-E197 HydrophobicContact CZ-CB 3.51Å; F114-E197 HydrophobicContact CZ-CG 3.66Å; F114-I198 HydrophobicContact CB-CG1 4.43Å
115	G	81.1	Confident	88.5	Confident	22 Å²	22	52 Å²	52	23%	0.227	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	46.3	173.3	0	0	0	0	0	112	D111	D111-G115 PolarHBondContact O-N 2.89Å
116	F	88.8	Confident	87.7	Confident	6 Å²	6	51.9 Å²	51.9	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151.3	173.3	83.1	-80.8	0	0	0	111.6	D111 F114 A118 Q173 V174 I198 V201 V202	D111-F116 HydrophobicContact CB-CD1 4.24Å; D111-F116 HydrophobicContact CB-CE1 3.7Å; D111-F116 HydrophobicContact CB-CZ 4.38Å; D111-F116 PolarHBondContact N-O 3.32Å; D111-F116 VanDerWaalsContact N-O 3.09Å; D111-F116 PolarHBondContact O-N 3.42Å; F114-F116 HydrophobicContact CB-CD1 3.88Å; F114-F116 HydrophobicContact CB-CE1 4.19Å; F116-A118 HydrophobicContact CD2-CB 4.26Å; F116-A118 HydrophobicContact CE2-CB 4.15Å; F116-Q173 CarbonylContact C-O 3.59Å; F116-Q173 VanDerWaalsContact CA-O 3.24Å; F116-Q173 WeakPolarHBondContact CA-O 3.37Å; F116-V174 HydrophobicContact CB-CG2 3.89Å; F116-I198 HydrophobicContact CD1-CB 4.46Å; F116-I198 HydrophobicContact CD1-CD1 4.48Å; F116-I198 HydrophobicContact CD1-CG1 3.72Å; F116-I198 HydrophobicContact CD1-CG2 4.37Å; F116-I198 HydrophobicContact CD2-CG2 4.14Å; F116-I198 HydrophobicContact CE1-CB 4.3Å; F116-I198 HydrophobicContact CE1-CG1 3.94Å; F116-I198 HydrophobicContact CE1-CG2 4.29Å; F116-I198 HydrophobicContact CE2-CG2 4.07Å; F116-I198 HydrophobicContact CG-CG1 4.19Å; F116-I198 HydrophobicContact CG-CG2 4.29Å; F116-I198 HydrophobicContact CZ-CG2 4.14Å; F116-V201 HydrophobicContact CE1-CB 4.25Å; F116-V201 HydrophobicContact CE1-CG1 4.26Å; F116-V201 HydrophobicContact CZ-CB 3.77Å; F116-V201 HydrophobicContact CZ-CG1 3.6Å; F116-V202 HydrophobicContact CE2-CG2 4.1Å; F116-V202 HydrophobicContact CZ-CG2 4.48Å
117	K	91.5	Very high	87.1	Confident	81 Å²	81	46.4 Å²	46.4	35%	0.352	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.5	169	-179.1	174.9	-177.8	171.1	0	108.1	E110 Q173	E110-K117 HydrophobicContact CB-CG 4.41Å; E110-K117 HydrophobicContact CG-CB 4.26Å; E110-K117 HydrophobicContact CG-CG 4.47Å; K117-Q173 HydrophobicContact CB-CB 4.44Å; K117-Q173 PolarHBondContact N-O 2.96Å; K117-Q173 PolarHBondContact O-N 2.71Å
118	A	92.7	Very high	86.1	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.7	175.5	0	0	0	0	0	110.2	E108 C109 F116 S171 L172	E108-A118 WeakPolarHBondContact CA-O 3.39Å; C109-A118 PolarHBondContact N-O 2.98Å; C109-A118 PolarHBondContact O-N 3.46Å; F116-A118 HydrophobicContact CD2-CB 4.26Å; F116-A118 HydrophobicContact CE2-CB 4.15Å; A118-S171 CarbonylContact C-O 3.58Å; A118-S171 VanDerWaalsContact CA-O 3.27Å; A118-S171 WeakPolarHBondContact CA-O 3.22Å; A118-L172 HydrophobicContact CB-CG 4.08Å
119	T	93.3	Very high	84.9	Confident	42 Å²	42	45.1 Å²	45.1	26%	0.258	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.1	175	59.9	0	0	0	0	109.3	I107 E108 S171	I107-T119 CarbonylContact O-C 3.58Å; I107-T119 WeakPolarHBondContact O-CA 3.5Å; E108-T119 HydrophobicContact CG-CG2 4.07Å; T119-S171 PolarHBondContact N-O 3.19Å; T119-S171 WeakPolarHBondContact O-CA 3.11Å; T119-S171 WeakPolarHBondContact O-CB 3.22Å; T119-S171 PolarHBondContact O-N 3.33Å
120	G	92.5	Very high	83.7	Confident	11 Å²	11	54.7 Å²	54.7	11%	0.113	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	-162.3	178.9	0	0	0	0	0	113.2	E106 I107 Y169	E106-G120 CarbonylContact C-O 3.53Å; E106-G120 WeakPolarHBondContact CA-O 3.45Å; I107-G120 PolarHBondContact N-O 3.07Å; I107-G120 PolarHBondContact O-N 2.98Å; G120-Y169 CarbonylContact C-O 3.58Å; G120-Y169 VanDerWaalsContact CA-O 3.23Å; G120-Y169 WeakPolarHBondContact CA-O 3.39Å
121	V	92.6	Very high	82.6	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.3	175.6	-56.4	0	0	0	0	110.9	V88 L89 I92 V104 V105 E106 F167 Y169	V88-V121 HydrophobicContact CG1-CG1 4.37Å; L89-V121 HydrophobicContact CD2-CG1 4.18Å; I92-V121 HydrophobicContact CD1-CG2 3.43Å; I92-V121 VanDerWaalsContact CD1-CG2 3.43Å; V104-V121 HydrophobicContact CB-CB 4.23Å; V104-V121 HydrophobicContact CB-CG2 4.33Å; V104-V121 HydrophobicContact CG2-CB 4.39Å; V104-V121 HydrophobicContact CG2-CG2 4.35Å; V105-V121 CarbonylContact O-C 3.57Å; V105-V121 VanDerWaalsContact O-CA 3.26Å; V105-V121 WeakPolarHBondContact O-CA 2.94Å; E106-V121 HydrophobicContact CG-CG1 3.9Å; V121-F167 HydrophobicContact CG2-CD1 4.41Å; V121-F167 HydrophobicContact CG2-CE1 3.87Å; V121-Y169 HydrophobicContact CG2-CD1 4.2Å; V121-Y169 PolarHBondContact N-O 3.22Å; V121-Y169 PolarHBondContact O-N 3.36Å; V121-Y169 VanDerWaalsContact O-O 3.05Å
122	A	92.4	Very high	81.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	150.8	174.6	0	0	0	0	0	112.1	V104 V105 I107 Y156 F167 V168 L206 M209	V104-A122 CarbonylContact C-O 3.43Å; V104-A122 VanDerWaalsContact CA-O 3.28Å; V104-A122 WeakPolarHBondContact CA-O 3.1Å; V105-A122 PolarHBondContact N-O 2.87Å; V105-A122 PolarHBondContact O-N 3.2Å; I107-A122 HydrophobicContact CD1-CB 3.45Å; I107-A122 VanDerWaalsContact CD1-CB 3.45Å; I107-A122 HydrophobicContact CG1-CB 4.38Å; A122-Y156 WeakPolarHBondContact CB-OH 3.47Å; A122-F167 CarbonylContact C-O 3.56Å; A122-F167 WeakPolarHBondContact CA-O 3.28Å; A122-V168 HydrophobicContact CB-CG1 4.29Å; A122-V168 HydrophobicContact CB-CG2 4.19Å; A122-L206 HydrophobicContact CB-CD2 3.51Å; A122-M209 HydrophobicContact CB-CE 4.49Å; A122-M209 HydrophobicContact CB-SD 4.23Å
123	S	89.9	Confident	82	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	137.2	-179.6	51.6	0	0	0	0	112.7	G103 Y127 Y156 P166 F167	G103-S123 CarbonylContact O-C 3.57Å; G103-S123 WeakPolarHBondContact O-CA 3.33Å; S123-Y127 VanDerWaalsContact CB-CD1 3.48Å; S123-Y156 PolarHBondContact N-OH 2.76Å; S123-Y156 WeakPolarHBondContact O-CE1 3.49Å; S123-Y156 PolarHBondContact O-OH 2.73Å; S123-Y156 WeakPolarHBondContact OG-CE1 3.43Å; S123-Y156 PolarHBondContact OG-OH 3.21Å; S123-P166 WeakPolarHBondContact OG-CA 3.19Å; S123-P166 WeakPolarHBondContact OG-CB 3.48Å; S123-F167 PolarHBondContact N-O 3.33Å; S123-F167 PolarHBondContact OG-N 3.39Å; S123-F167 PolarHBondContact OG-O 3.5Å
124	T	87.1	Confident	82.5	Confident	14 Å²	14	42.6 Å²	42.6	9%	0.086	22%	0.223	C	C	.	.			trans	-80.1	175.9	171.2	64.8	0	0	0	0	111.8	G103 V105 A126 Y127	G103-T124 PolarHBondContact O-N 3.49Å; G103-T124 PolarHBondContact O-OG1 2.84Å; V105-T124 HydrophobicContact CB-CG2 4.15Å; V105-T124 HydrophobicContact CG2-CG2 3.34Å; T124-A126 PolarHBondContact O-N 3.09Å; T124-A126 PolarHBondContact OG1-N 3.39Å; T124-Y127 VanDerWaalsContact O-CB 3.25Å; T124-Y127 WeakPolarHBondContact O-CB 3.4Å; T124-Y127 PolarHBondContact O-N 3.37Å; T124-Y127 VanDerWaalsContact O-N 3.11Å
125	M	82.2	Confident	83.2	Confident	52 Å²	52	40.8 Å²	40.8	26%	0.256	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.5	175	-62.3	-177.7	68.7	0	0	113.1	Y127 Y159 L210 A214	M125-Y127 PolarHBondContact O-N 2.98Å; M125-Y159 HydrophobicContact CE-CD1 4.12Å; M125-Y159 HydrophobicContact SD-CD1 3.96Å; M125-L210 HydrophobicContact CG-CD2 4.22Å; M125-A214 HydrophobicContact SD-CB 3.86Å
126	A	74.4	Confident	83.7	Confident	64 Å²	64	39.9 Å²	39.9	53%	0.529	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.8	177.6	0	0	0	0	0	113.1	T124 I128	T124-A126 PolarHBondContact O-N 3.09Å; T124-A126 PolarHBondContact OG1-N 3.39Å; A126-I128 WeakPolarHBondContact O-CG1 3.46Å; A126-I128 PolarHBondContact O-N 3.35Å
127	Y	77.8	Confident	83.9	Confident	14 Å²	14	39.6 Å²	39.6	6%	0.055	20%	0.204	C	C	.	.			trans	-66.4	131.7	-178.8	-176.1	-117.7	0	0	0	112.3	V100 S123 T124 M125 G129 Q165 F167	V100-Y127 HydrophobicContact CB-CE2 4.16Å; V100-Y127 HydrophobicContact CG1-CE2 3.95Å; V100-Y127 HydrophobicContact CG2-CE2 3.92Å; S123-Y127 VanDerWaalsContact CB-CD1 3.48Å; T124-Y127 VanDerWaalsContact O-CB 3.25Å; T124-Y127 WeakPolarHBondContact O-CB 3.4Å; T124-Y127 PolarHBondContact O-N 3.37Å; T124-Y127 VanDerWaalsContact O-N 3.11Å; M125-Y127 PolarHBondContact O-N 2.98Å; Y127-G129 VanDerWaalsContact CZ-CA 3.5Å; Y127-Q165 WeakPolarHBondContact CD1-O 3.42Å; Y127-Q165 WeakPolarHBondContact CE1-O 3.39Å; Y127-F167 HydrophobicContact CE1-CB 3.78Å; Y127-F167 HydrophobicContact CE2-CB 4.43Å
128	I	72.5	Confident	83.9	Confident	123 Å²	123	36.1 Å²	36.1	63%	0.631	19%	0.189	S	C	*	.			trans	-116.1	54.6	179.8	-45.9	177.1	0	0	0	109	A126	A126-I128 WeakPolarHBondContact O-CG1 3.46Å; A126-I128 PolarHBondContact O-N 3.35Å
129	G	68.2	Low	83.7	Confident	7 Å²	7	38.9 Å²	38.9	7%	0.072	20%	0.204	C	C	.	.			trans	-85.8	138.8	173.3	0	0	0	0	0	112.6	Y127 R164 Q165	Y127-G129 VanDerWaalsContact CZ-CA 3.5Å; G129-R164 WeakPolarHBondContact O-CA 3.36Å; G129-Q165 PolarHBondContact O-N 2.94Å
130	R	65.3	Low	83.6	Confident	217 Å²	217	41.1 Å²	41.1	82%	0.819	21%	0.214	S	C	*	.			trans	-104.9	-19.7	171.4	-61.8	-177.1	-174.2	173	1.6	112.8
131	T	67	Low	83.4	Confident	95 Å²	95	45.8 Å²	45.8	58%	0.583	23%	0.229	S	C	*	.	S	Bend	trans	-95.8	131.1	-178.6	-49.8	0	0	0	0	110.1	L133	T131-L133 HydrophobicContact CG2-CD2 4.4Å; T131-L133 HydrophobicContact CG2-CG 4.19Å; T131-L133 PolarHBondContact O-N 3.23Å
132	F	71.5	Confident	83.3	Confident	57 Å²	57	47.8 Å²	47.8	25%	0.25	24%	0.239	C	C	.	.			trans	-77.2	106.4	179.9	-174.6	-103	0	0	0	110.9	I134 R153 Q165	F132-I134 HydrophobicContact CD2-CG1 4.45Å; F132-I134 HydrophobicContact CE1-CB 4.17Å; F132-I134 HydrophobicContact CE1-CD1 4.34Å; F132-I134 HydrophobicContact CE1-CG1 4.12Å; F132-I134 HydrophobicContact CE2-CD1 3.47Å; F132-I134 VanDerWaalsContact CE2-CD1 3.47Å; F132-I134 HydrophobicContact CE2-CG1 3.75Å; F132-I134 HydrophobicContact CZ-CB 3.99Å; F132-I134 HydrophobicContact CZ-CD1 3.35Å; F132-I134 HydrophobicContact CZ-CG1 3.57Å; F132-R153 HydrophobicContact CE2-CG 3.57Å; F132-R153 HydrophobicContact CZ-CG 3.83Å; F132-R153 VanDerWaalsContact CZ-CZ 3.44Å; F132-Q165 HydrophobicContact CB-CB 4.35Å; F132-Q165 HydrophobicContact CB-CG 4.29Å; F132-Q165 HydrophobicContact CD2-CB 4.35Å
133	L	82.9	Confident	83.2	Confident	30 Å²	30	48 Å²	48	16%	0.157	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	83.4	-176.7	-68.5	171.2	0	0	0	110.2	F96 T131 F167 V168	F96-L133 HydrophobicContact CD1-CD1 3.8Å; F96-L133 HydrophobicContact CE1-CD1 3.4Å; F96-L133 VanDerWaalsContact CE1-CD1 3.4Å; F96-L133 HydrophobicContact CE1-CD2 4.21Å; F96-L133 HydrophobicContact CE1-CG 4.45Å; F96-L133 HydrophobicContact CE2-CD1 4.5Å; F96-L133 HydrophobicContact CZ-CD1 3.8Å; F96-L133 HydrophobicContact CZ-CD2 4.42Å; T131-L133 HydrophobicContact CG2-CD2 4.4Å; T131-L133 HydrophobicContact CG2-CG 4.19Å; T131-L133 PolarHBondContact O-N 3.23Å; L133-F167 HydrophobicContact CB-CD2 3.68Å; L133-F167 HydrophobicContact CB-CE2 4.07Å; L133-F167 HydrophobicContact CD1-CD2 3.93Å; L133-F167 HydrophobicContact CD1-CE2 4.1Å; L133-F167 HydrophobicContact CG-CD2 4.48Å; L133-F167 WeakPolarHBondContact O-CA 3Å; L133-V168 PolarHBondContact O-N 3.38Å
134	I	89.7	Confident	83	Confident	11 Å²	11	50.8 Å²	50.8	6%	0.056	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.7	171.7	-55.9	-169.5	0	0	0	109.1	F132 F136 K149 I152 P166 V168	F132-I134 HydrophobicContact CD2-CG1 4.45Å; F132-I134 HydrophobicContact CE1-CB 4.17Å; F132-I134 HydrophobicContact CE1-CD1 4.34Å; F132-I134 HydrophobicContact CE1-CG1 4.12Å; F132-I134 HydrophobicContact CE2-CD1 3.47Å; F132-I134 VanDerWaalsContact CE2-CD1 3.47Å; F132-I134 HydrophobicContact CE2-CG1 3.75Å; F132-I134 HydrophobicContact CZ-CB 3.99Å; F132-I134 HydrophobicContact CZ-CD1 3.35Å; F132-I134 HydrophobicContact CZ-CG1 3.57Å; I134-F136 HydrophobicContact CG2-CE1 3.55Å; I134-F136 HydrophobicContact CG2-CE2 4.09Å; I134-F136 HydrophobicContact CG2-CZ 3.3Å; I134-K149 HydrophobicContact CB-CG 4.46Å; I134-K149 HydrophobicContact CG2-CG 4.03Å; I134-K149 WeakPolarHBondContact O-CE 3.29Å; I134-I152 HydrophobicContact CD1-CB 4.25Å; I134-I152 HydrophobicContact CD1-CG2 3.71Å; I134-P166 HydrophobicContact CD1-CG 4.12Å; I134-V168 WeakPolarHBondContact CA-O 3.24Å; I134-V168 HydrophobicContact CD1-CG2 4.41Å; I134-V168 HydrophobicContact CG1-CB 4.16Å; I134-V168 HydrophobicContact CG1-CG2 4.37Å; I134-V168 HydrophobicContact CG2-CB 4.24Å
135	F	92.9	Very high	83	Confident	8 Å²	8	50.4 Å²	50.4	4%	0.035	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	150.2	177.5	62.8	-84.1	0	0	0	111.9	K58 I61 F137 L142 F167 V168 Y169 L170	K58-F135 HydrophobicContact CB-CD2 4.07Å; K58-F135 HydrophobicContact CB-CE2 4.15Å; K58-F135 HydrophobicContact CD-CB 4.21Å; K58-F135 HydrophobicContact CD-CG 4.31Å; K58-F135 HydrophobicContact CG-CB 4.32Å; K58-F135 HydrophobicContact CG-CD1 4.21Å; K58-F135 HydrophobicContact CG-CD2 3.84Å; K58-F135 HydrophobicContact CG-CE1 4.5Å; K58-F135 HydrophobicContact CG-CE2 4.11Å; K58-F135 HydrophobicContact CG-CG 3.87Å; K58-F135 HydrophobicContact CG-CZ 4.44Å; I61-F135 HydrophobicContact CB-CZ 4.36Å; I61-F135 HydrophobicContact CD1-CZ 3.84Å; I61-F135 HydrophobicContact CG2-CZ 4.14Å; F135-F137 HydrophobicContact CD2-CD2 4.21Å; F135-F137 AromaticContact CD2-CE2 3.87Å; F135-F137 HydrophobicContact CD2-CE2 3.87Å; F135-F137 HydrophobicContact CE2-CE2 4.07Å; F135-L142 HydrophobicContact CB-CD1 4.34Å; F135-F167 HydrophobicContact CE1-CE2 4.37Å; F135-F167 HydrophobicContact CE1-CZ 4.06Å; F135-F167 HydrophobicContact CZ-CZ 4.5Å; F135-V168 PolarHBondContact N-O 3.25Å; F135-V168 VanDerWaalsContact N-O 3.07Å; F135-Y169 AromaticContact CD2-CD2 3.71Å; F135-Y169 HydrophobicContact CD2-CD2 3.71Å; F135-Y169 HydrophobicContact CD2-CE2 4.43Å; F135-Y169 AromaticContact CE2-CD2 3.15Å; F135-Y169 HydrophobicContact CE2-CD2 3.15Å; F135-Y169 AromaticContact CE2-CE2 3.87Å; F135-Y169 HydrophobicContact CE2-CE2 3.87Å; F135-Y169 AromaticContact CE2-CG 3.77Å; F135-Y169 HydrophobicContact CE2-CG 3.77Å; F135-Y169 AromaticContact CZ-CD2 3.74Å; F135-Y169 HydrophobicContact CZ-CD2 3.74Å; F135-Y169 AromaticContact CZ-CG 3.84Å; F135-Y169 HydrophobicContact CZ-CG 3.84Å; F135-L170 PolarHBondContact O-N 2.93Å
136	F	92.8	Very high	83.2	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.009	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142	-173.4	-46.9	-59.6	0	0	0	111.2	I134 V143 C145 L148 K149 I152 L170 L172	I134-F136 HydrophobicContact CG2-CE1 3.55Å; I134-F136 HydrophobicContact CG2-CE2 4.09Å; I134-F136 HydrophobicContact CG2-CZ 3.3Å; F136-V143 PolarHBondContact O-N 3.48Å; F136-C145 HydrophobicContact CD2-CB 3.91Å; F136-C145 HydrophobicContact CE2-CB 4.05Å; F136-L148 HydrophobicContact CD1-CD2 3.86Å; F136-L148 HydrophobicContact CD2-CD2 4.18Å; F136-L148 HydrophobicContact CE1-CD2 3.54Å; F136-L148 HydrophobicContact CE1-CG 3.96Å; F136-L148 HydrophobicContact CE2-CB 3.92Å; F136-L148 HydrophobicContact CE2-CD2 3.84Å; F136-L148 HydrophobicContact CE2-CG 4Å; F136-L148 HydrophobicContact CG-CD2 4.17Å; F136-L148 HydrophobicContact CZ-CB 3.92Å; F136-L148 HydrophobicContact CZ-CD2 3.52Å; F136-L148 HydrophobicContact CZ-CG 3.54Å; F136-K149 HydrophobicContact CE2-CG 3.67Å; F136-K149 HydrophobicContact CZ-CG 4.04Å; F136-I152 HydrophobicContact CE1-CD1 3.88Å; F136-I152 HydrophobicContact CZ-CD1 3.89Å; F136-L170 CarbonylContact C-O 3.59Å; F136-L170 VanDerWaalsContact CA-O 3.27Å; F136-L170 WeakPolarHBondContact CA-O 3.17Å; F136-L170 HydrophobicContact CD1-CB 4.03Å; F136-L170 HydrophobicContact CD1-CD1 4.31Å; F136-L170 HydrophobicContact CD1-CG 4.5Å; F136-L170 HydrophobicContact CE1-CD1 4.07Å; F136-L172 HydrophobicContact CB-CD1 4.38Å
137	F	93.4	Very high	83.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137	165.7	-78.7	-102.9	0	0	0	108.8	K58 F59 H62 F135 R141 L142 Y169 L170 S171 L172	K58-F137 HydrophobicContact CB-CE2 4.24Å; K58-F137 HydrophobicContact CB-CZ 4.34Å; K58-F137 WeakPolarHBondContact O-CE2 3.38Å; F59-F137 AromaticContact CD1-CE1 3.7Å; F59-F137 HydrophobicContact CD1-CE1 3.7Å; F59-F137 AromaticContact CD1-CZ 3.93Å; F59-F137 HydrophobicContact CD1-CZ 3.93Å; F59-F137 AromaticContact CE1-CE1 3.61Å; F59-F137 HydrophobicContact CE1-CE1 3.61Å; F59-F137 HydrophobicContact CE1-CZ 4.15Å; F59-F137 HydrophobicContact CG-CZ 4.31Å; F59-F137 HydrophobicContact CZ-CE1 4.32Å; H62-F137 HydrophobicContact CB-CD1 4.1Å; H62-F137 HydrophobicContact CB-CD2 3.95Å; H62-F137 HydrophobicContact CB-CE1 3.85Å; H62-F137 HydrophobicContact CB-CE2 3.67Å; H62-F137 HydrophobicContact CB-CG 4.15Å; H62-F137 HydrophobicContact CB-CZ 3.63Å; H62-F137 AromaticContact CD2-CD1 3.31Å; H62-F137 WeakPolarHBondContact CD2-CD1 3.27Å; H62-F137 AromaticContact CD2-CE1 3.53Å; H62-F137 AromaticContact CD2-CG 3.86Å; H62-F137 AromaticContact CE1-CD1 3.9Å; H62-F137 AromaticContact CE1-CG 3.82Å; H62-F137 AromaticContact CG-CD1 3.49Å; H62-F137 VanDerWaalsContact CG-CD1 3.49Å; H62-F137 AromaticContact CG-CD2 3.89Å; H62-F137 AromaticContact CG-CE1 3.69Å; H62-F137 AromaticContact CG-CG 3.59Å; H62-F137 AromaticContact CG-CZ 3.97Å; H62-F137 AromaticContact ND1-CD1 3.84Å; H62-F137 AromaticContact ND1-CD2 3.96Å; H62-F137 AromaticContact ND1-CG 3.55Å; H62-F137 AromaticContact NE2-CD1 3.58Å; H62-F137 AromaticContact NE2-CG 3.99Å; F135-F137 HydrophobicContact CD2-CD2 4.21Å; F135-F137 AromaticContact CD2-CE2 3.87Å; F135-F137 HydrophobicContact CD2-CE2 3.87Å; F135-F137 HydrophobicContact CE2-CE2 4.07Å; F137-R141 CarbonylContact C-O 3.48Å; F137-R141 VanDerWaalsContact CA-O 3.24Å; F137-R141 WeakPolarHBondContact CA-O 3.37Å; F137-L142 HydrophobicContact CD1-CB 4.43Å; F137-L142 HydrophobicContact CD2-CD1 4.33Å; F137-L142 HydrophobicContact CE1-CB 3.95Å; F137-L142 HydrophobicContact CE2-CD1 3.88Å; F137-L142 HydrophobicContact CZ-CB 4.01Å; F137-L142 HydrophobicContact CZ-CD1 4.11Å; F137-Y169 HydrophobicContact CD2-CD2 4.43Å; F137-Y169 AromaticContact CD2-CE2 3.79Å; F137-Y169 HydrophobicContact CD2-CE2 3.79Å; F137-Y169 HydrophobicContact CE2-CE2 4.34Å; F137-L170 PolarHBondContact N-O 2.78Å; F137-S171 CarbonylContact O-C 3.51Å; F137-S171 WeakPolarHBondContact O-CA 3.01Å; F137-L172 PolarHBondContact O-N 2.68Å
138	V	90.5	Very high	84.3	Confident	8 Å²	8	50.3 Å²	50.3	5%	0.048	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	115.1	173.7	-179.3	0	0	0	0	107.3	D140 R141 V143 L172 I179 F192	V138-D140 VanDerWaalsContact C-N 3.28Å; V138-D140 PolarHBondContact O-N 3.37Å; V138-R141 PolarHBondContact N-O 3.26Å; V138-R141 WeakPolarHBondContact O-CB 3.12Å; V138-R141 PolarHBondContact O-N 3.42Å; V138-V143 HydrophobicContact CB-CB 4.47Å; V138-V143 HydrophobicContact CB-CG2 4.02Å; V138-V143 HydrophobicContact CG2-CB 4Å; V138-V143 HydrophobicContact CG2-CG1 4.24Å; V138-V143 HydrophobicContact CG2-CG2 4.09Å; V138-L172 CarbonylContact C-O 3.58Å; V138-L172 VanDerWaalsContact CA-O 3.3Å; V138-L172 WeakPolarHBondContact CA-O 3.11Å; V138-L172 HydrophobicContact CG2-CB 4.41Å; V138-I179 HydrophobicContact CG1-CD1 3.92Å; V138-F192 HydrophobicContact CG1-CE1 3.92Å; V138-F192 HydrophobicContact CG2-CE1 4.01Å; V138-F192 HydrophobicContact CG2-CZ 3.86Å
139	N	89.8	Confident	85.1	Confident	59 Å²	59	46.2 Å²	46.2	32%	0.316	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	46	53.8	-174.1	-63.7	-19.1	0	0	0	111.9	R141 L172 Q173 V174 I179	N139-R141 PolarHBondContact O-N 2.8Å; N139-R141 VanDerWaalsContact O-N 3.14Å; N139-L172 PolarHBondContact N-O 2.89Å; N139-Q173 WeakPolarHBondContact OD1-CA 3.49Å; N139-V174 PolarHBondContact ND2-O 3.37Å; N139-V174 PolarHBondContact OD1-N 2.98Å; N139-V174 PolarHBondContact OD1-O 3.38Å; N139-I179 WeakPolarHBondContact ND2-CD1 3.37Å
140	D	90.5	Very high	86.1	Confident	89 Å²	89	52.2 Å²	52.2	48%	0.476	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	11.6	178.8	-45.4	-37.4	0	0	0	116.2	H62 F63 V138	H62-D140 IonicContact CE1-OD1 3.92Å; H62-D140 WeakPolarHBondContact NE2-CA 3.5Å; H62-D140 IonicContact NE2-OD1 2.63Å; H62-D140 PolarHBondContact NE2-OD1 3.48Å; F63-D140 HydrophobicContact CE1-CB 4.34Å; F63-D140 HydrophobicContact CZ-CB 4.05Å; V138-D140 VanDerWaalsContact C-N 3.28Å; V138-D140 PolarHBondContact O-N 3.37Å
141	R	88.5	Confident	87.3	Confident	109 Å²	109	43.2 Å²	43.2	41%	0.411	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.5	174	-170.8	-177.8	-175.2	100.7	17.5	110.9	F137 V138 N139 V143 T186 K187	F137-R141 CarbonylContact C-O 3.48Å; F137-R141 VanDerWaalsContact CA-O 3.24Å; F137-R141 WeakPolarHBondContact CA-O 3.37Å; V138-R141 PolarHBondContact N-O 3.26Å; V138-R141 WeakPolarHBondContact O-CB 3.12Å; V138-R141 PolarHBondContact O-N 3.42Å; N139-R141 PolarHBondContact O-N 2.8Å; N139-R141 VanDerWaalsContact O-N 3.14Å; R141-V143 HydrophobicContact CB-CG2 4.4Å; R141-V143 HydrophobicContact CG-CG2 4.28Å; R141-V143 PolarHBondContact O-N 3.43Å; R141-T186 PolarHBondContact NH2-O 3.02Å; R141-T186 VanDerWaalsContact NH2-O 3.1Å; R141-K187 PolarHBondContact NE-O 2.95Å; R141-K187 VanDerWaalsContact NH2-CB 3.35Å
142	L	91.2	Very high	88.4	Confident	44 Å²	44	38.7 Å²	38.7	23%	0.23	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	119.4	169.9	179.3	61.9	0	0	0	109.9	K58 F59 F135 F137	K58-L142 HydrophobicContact CB-CD1 4.45Å; K58-L142 HydrophobicContact CB-CD2 4.43Å; K58-L142 HydrophobicContact CD-CD1 4.09Å; K58-L142 HydrophobicContact CD-CD2 3.91Å; F59-L142 HydrophobicContact CE2-CB 4.43Å; F59-L142 HydrophobicContact CE2-CD2 4.33Å; F59-L142 HydrophobicContact CZ-CB 4.06Å; F135-L142 HydrophobicContact CB-CD1 4.34Å; F137-L142 HydrophobicContact CD1-CB 4.43Å; F137-L142 HydrophobicContact CD2-CD1 4.33Å; F137-L142 HydrophobicContact CE1-CB 3.95Å; F137-L142 HydrophobicContact CE2-CD1 3.88Å; F137-L142 HydrophobicContact CZ-CB 4.01Å; F137-L142 HydrophobicContact CZ-CD1 4.11Å
143	V	88.9	Confident	89.2	Confident	6 Å²	6	41.6 Å²	41.6	4%	0.036	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.2	-174.9	170.9	0	0	0	0	110.4	F136 V138 R141 Q188 V190	F136-V143 PolarHBondContact O-N 3.48Å; V138-V143 HydrophobicContact CB-CB 4.47Å; V138-V143 HydrophobicContact CB-CG2 4.02Å; V138-V143 HydrophobicContact CG2-CB 4Å; V138-V143 HydrophobicContact CG2-CG1 4.24Å; V138-V143 HydrophobicContact CG2-CG2 4.09Å; R141-V143 HydrophobicContact CB-CG2 4.4Å; R141-V143 HydrophobicContact CG-CG2 4.28Å; R141-V143 PolarHBondContact O-N 3.43Å; V143-Q188 CarbonylContact C-O 3.52Å; V143-Q188 WeakPolarHBondContact CA-O 3.42Å; V143-Q188 WeakPolarHBondContact CG1-O 3.32Å; V143-V190 HydrophobicContact CB-CG2 4.38Å; V143-V190 HydrophobicContact CG1-CB 3.81Å; V143-V190 HydrophobicContact CG1-CG2 3.74Å; V143-V190 HydrophobicContact CG2-CB 4.45Å; V143-V190 HydrophobicContact CG2-CG2 3.61Å
144	D	87	Confident	89.5	Confident	57 Å²	57	45.8 Å²	45.8	31%	0.305	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-97	120.3	168.3	-154.3	-19.5	0	0	0	110.6	K149 Q188	D144-K149 WeakPolarHBondContact OD1-CD 3.2Å; D144-K149 WeakPolarHBondContact OD1-CE 3.42Å; D144-K149 IonicContact OD1-NZ 2.71Å; D144-K149 PolarHBondContact OD1-NZ 2.85Å; D144-K149 IonicContact OD2-NZ 3.27Å; D144-K149 PolarHBondContact OD2-NZ 3.31Å; D144-Q188 PolarHBondContact N-O 2.93Å
145	C	86.2	Confident	89.5	Confident	6 Å²	6	46.2 Å²	46.2	4%	0.041	22%	0.222	C	C	.	.			trans	-123.1	97.4	176.2	-177.1	0	0	0	0	109.2	F136 V147 L148 K149	F136-C145 HydrophobicContact CD2-CB 3.91Å; F136-C145 HydrophobicContact CE2-CB 4.05Å; C145-V147 VanDerWaalsContact C-N 3.32Å; C145-V147 PolarHBondContact O-N 3.3Å; C145-L148 HydrophobicContact CB-CB 4.1Å; C145-L148 PolarHBondContact O-N 3.18Å; C145-L148 VanDerWaalsContact SG-CB 3.57Å; C145-K149 WeakPolarHBondContact O-CG 3.31Å; C145-K149 PolarHBondContact O-N 2.98Å
146	D	85.6	Confident	89.3	Confident	69 Å²	69	46 Å²	46	37%	0.369	22%	0.221	S	C	.	.	H	α-helix	trans	-62.4	-38.4	-177.8	-87.9	-22.7	0	0	0	113	K149 R150	D146-K149 PolarHBondContact O-N 2.69Å; D146-R150 WeakPolarHBondContact O-CB 3.44Å; D146-R150 VanDerWaalsContact O-CG 3.26Å; D146-R150 WeakPolarHBondContact O-CG 3.31Å; D146-R150 PolarHBondContact O-N 3.15Å; D146-R150 IonicContact OD2-NH2 3.66Å; D146-R150 PolarHBondContact OD2-NH2 2.95Å
147	V	87.1	Confident	88.9	Confident	56 Å²	56	49.6 Å²	49.6	34%	0.339	25%	0.246	S	C	.	.	H	α-helix	trans	-61.5	-49.7	179.9	179.2	0	0	0	0	109.6	C145 R150 S151 E195 V199	C145-V147 VanDerWaalsContact C-N 3.32Å; C145-V147 PolarHBondContact O-N 3.3Å; V147-R150 PolarHBondContact O-N 3.02Å; V147-S151 PolarHBondContact O-N 3.02Å; V147-S151 PolarHBondContact O-OG 3.21Å; V147-S151 VanDerWaalsContact O-OG 3.07Å; V147-E195 WeakPolarHBondContact CB-OE1 3.15Å; V147-E195 VanDerWaalsContact CG2-OE1 3.23Å; V147-E195 WeakPolarHBondContact CG2-OE1 3.26Å; V147-V199 HydrophobicContact CG1-CG2 4.28Å
148	L	88.5	Confident	88.5	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-43.1	178.1	-170.5	62.2	0	0	0	111.8	F136 C145 R150 S151 I152 V199 V202	F136-L148 HydrophobicContact CD1-CD2 3.86Å; F136-L148 HydrophobicContact CD2-CD2 4.18Å; F136-L148 HydrophobicContact CE1-CD2 3.54Å; F136-L148 HydrophobicContact CE1-CG 3.96Å; F136-L148 HydrophobicContact CE2-CB 3.92Å; F136-L148 HydrophobicContact CE2-CD2 3.84Å; F136-L148 HydrophobicContact CE2-CG 4Å; F136-L148 HydrophobicContact CG-CD2 4.17Å; F136-L148 HydrophobicContact CZ-CB 3.92Å; F136-L148 HydrophobicContact CZ-CD2 3.52Å; F136-L148 HydrophobicContact CZ-CG 3.54Å; C145-L148 HydrophobicContact CB-CB 4.1Å; C145-L148 PolarHBondContact O-N 3.18Å; C145-L148 VanDerWaalsContact SG-CB 3.57Å; L148-R150 PolarHBondContact O-N 2.8Å; L148-S151 PolarHBondContact O-N 2.95Å; L148-I152 HydrophobicContact CD1-CD1 4.06Å; L148-I152 HydrophobicContact CD1-CG1 4.29Å; L148-I152 HydrophobicContact CG-CD1 3.84Å; L148-I152 HydrophobicContact CG-CG1 4.43Å; L148-I152 WeakPolarHBondContact O-CB 3.48Å; L148-I152 VanDerWaalsContact O-CG1 3.23Å; L148-I152 WeakPolarHBondContact O-CG1 3.32Å; L148-I152 PolarHBondContact O-N 3.48Å; L148-V199 HydrophobicContact CB-CG2 4.4Å; L148-V199 HydrophobicContact CD1-CB 4.45Å; L148-V199 HydrophobicContact CD1-CG1 4.33Å; L148-V199 HydrophobicContact CD1-CG2 4Å; L148-V202 HydrophobicContact CD1-CB 4.35Å; L148-V202 HydrophobicContact CD1-CG1 4.03Å
149	K	90.3	Very high	88.3	Confident	36 Å²	36	57.8 Å²	57.8	16%	0.157	29%	0.286	C	S	.	.	H	α-helix	trans	-57	-45.8	174.6	-77.5	-178.4	-179.4	171.3	0	112.3	I134 F136 D144 C145 D146 R153	I134-K149 HydrophobicContact CB-CG 4.46Å; I134-K149 HydrophobicContact CG2-CG 4.03Å; I134-K149 WeakPolarHBondContact O-CE 3.29Å; F136-K149 HydrophobicContact CE2-CG 3.67Å; F136-K149 HydrophobicContact CZ-CG 4.04Å; D144-K149 WeakPolarHBondContact OD1-CD 3.2Å; D144-K149 WeakPolarHBondContact OD1-CE 3.42Å; D144-K149 IonicContact OD1-NZ 2.71Å; D144-K149 PolarHBondContact OD1-NZ 2.85Å; D144-K149 IonicContact OD2-NZ 3.27Å; D144-K149 PolarHBondContact OD2-NZ 3.31Å; C145-K149 WeakPolarHBondContact O-CG 3.31Å; C145-K149 PolarHBondContact O-N 2.98Å; D146-K149 PolarHBondContact O-N 2.69Å; K149-R153 WeakPolarHBondContact O-CG 3.41Å; K149-R153 PolarHBondContact O-N 2.67Å; K149-R153 VanDerWaalsContact O-N 3.09Å
150	R	88.1	Confident	87.9	Confident	134 Å²	134	55.7 Å²	55.7	51%	0.506	28%	0.275	S	S	.	.	H	α-helix	trans	-66.6	-44.6	180	-71.9	178.7	-147.7	136.2	2.6	111.4	D146 V147 L148 R153 L154	D146-R150 WeakPolarHBondContact O-CB 3.44Å; D146-R150 VanDerWaalsContact O-CG 3.26Å; D146-R150 WeakPolarHBondContact O-CG 3.31Å; D146-R150 PolarHBondContact O-N 3.15Å; D146-R150 IonicContact OD2-NH2 3.66Å; D146-R150 PolarHBondContact OD2-NH2 2.95Å; V147-R150 PolarHBondContact O-N 3.02Å; L148-R150 PolarHBondContact O-N 2.8Å; R150-R153 WeakPolarHBondContact O-CB 3.35Å; R150-R153 PolarHBondContact O-N 2.95Å; R150-L154 WeakPolarHBondContact O-CG 3.26Å; R150-L154 PolarHBondContact O-N 2.87Å
151	S	90.6	Very high	87.3	Confident	28 Å²	28	54.9 Å²	54.9	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-65.4	-41.2	-180	-60.3	0	0	0	0	112.4	V147 L148 R153 L154 L155	V147-S151 PolarHBondContact O-N 3.02Å; V147-S151 PolarHBondContact O-OG 3.21Å; V147-S151 VanDerWaalsContact O-OG 3.07Å; L148-S151 PolarHBondContact O-N 2.95Å; S151-R153 PolarHBondContact O-N 2.9Å; S151-L154 PolarHBondContact O-N 2.8Å; S151-L155 PolarHBondContact O-N 2.67Å
152	I	90.8	Very high	86.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-43.2	174.8	-67.8	173.2	0	0	0	110.5	I134 F136 L148 L154 L155 Y156 V168 L170 L203 L206	I134-I152 HydrophobicContact CD1-CB 4.25Å; I134-I152 HydrophobicContact CD1-CG2 3.71Å; F136-I152 HydrophobicContact CE1-CD1 3.88Å; F136-I152 HydrophobicContact CZ-CD1 3.89Å; L148-I152 HydrophobicContact CD1-CD1 4.06Å; L148-I152 HydrophobicContact CD1-CG1 4.29Å; L148-I152 HydrophobicContact CG-CD1 3.84Å; L148-I152 HydrophobicContact CG-CG1 4.43Å; L148-I152 WeakPolarHBondContact O-CB 3.48Å; L148-I152 VanDerWaalsContact O-CG1 3.23Å; L148-I152 WeakPolarHBondContact O-CG1 3.32Å; L148-I152 PolarHBondContact O-N 3.48Å; I152-L154 VanDerWaalsContact C-N 3.33Å; I152-L154 PolarHBondContact O-N 2.99Å; I152-L155 PolarHBondContact O-N 3.16Å; I152-Y156 HydrophobicContact CG2-CD2 3.55Å; I152-Y156 HydrophobicContact CG2-CE2 3.66Å; I152-Y156 WeakPolarHBondContact O-CD2 3.17Å; I152-Y156 PolarHBondContact O-N 3.09Å; I152-V168 HydrophobicContact CD1-CG1 4.25Å; I152-V168 HydrophobicContact CG2-CG2 4Å; I152-L170 HydrophobicContact CD1-CD1 4.32Å; I152-L203 HydrophobicContact CG1-CD2 4.12Å; I152-L206 HydrophobicContact CD1-CD1 4.02Å; I152-L206 HydrophobicContact CG1-CD1 3.8Å
153	R	88	Confident	85.5	Confident	117 Å²	117	63.9 Å²	63.9	44%	0.442	32%	0.316	S	S	.	.	H	α-helix	trans	-57	-45.3	174.7	-79.8	178	-178.3	157.6	4.4	112.4	F132 K149 R150 S151 L155 Y156 S157	F132-R153 HydrophobicContact CE2-CG 3.57Å; F132-R153 HydrophobicContact CZ-CG 3.83Å; F132-R153 VanDerWaalsContact CZ-CZ 3.44Å; K149-R153 WeakPolarHBondContact O-CG 3.41Å; K149-R153 PolarHBondContact O-N 2.67Å; K149-R153 VanDerWaalsContact O-N 3.09Å; R150-R153 WeakPolarHBondContact O-CB 3.35Å; R150-R153 PolarHBondContact O-N 2.95Å; S151-R153 PolarHBondContact O-N 2.9Å; R153-L155 VanDerWaalsContact C-N 3.34Å; R153-Y156 PolarHBondContact O-N 3.04Å; R153-S157 WeakPolarHBondContact O-CB 3.5Å; R153-S157 PolarHBondContact O-N 3.43Å
154	L	89	Confident	85	Confident	118 Å²	118	67.8 Å²	67.8	62%	0.618	33%	0.331	S	S	*	.	H	α-helix	trans	-62.4	-42.3	178.2	-72.2	168.2	0	0	0	111.2	R150 S151 I152 S157	R150-L154 WeakPolarHBondContact O-CG 3.26Å; R150-L154 PolarHBondContact O-N 2.87Å; S151-L154 PolarHBondContact O-N 2.8Å; I152-L154 VanDerWaalsContact C-N 3.33Å; I152-L154 PolarHBondContact O-N 2.99Å; L154-S157 PolarHBondContact O-N 3.23Å; L154-S157 PolarHBondContact O-OG 2.95Å
155	L	89.5	Confident	84.7	Confident	21 Å²	21	68 Å²	68	11%	0.11	33%	0.33	C	S	.	.	H	α-helix	trans	-60.9	-52.7	176	-179.9	65.2	0	0	0	111.5	S151 I152 R153 S157 N158 Y159 L203 L206 D207 L210	S151-L155 PolarHBondContact O-N 2.67Å; I152-L155 PolarHBondContact O-N 3.16Å; R153-L155 VanDerWaalsContact C-N 3.34Å; L155-S157 VanDerWaalsContact C-N 3.26Å; L155-S157 PolarHBondContact O-N 3.43Å; L155-N158 WeakPolarHBondContact O-CB 3.41Å; L155-N158 PolarHBondContact O-N 3.36Å; L155-N158 VanDerWaalsContact O-N 3.17Å; L155-Y159 HydrophobicContact CD1-CE2 4.14Å; L155-Y159 WeakPolarHBondContact O-CD2 3.13Å; L155-L203 HydrophobicContact CB-CD2 4.18Å; L155-L203 HydrophobicContact CD2-CD2 4.06Å; L155-L206 HydrophobicContact CD2-CB 3.52Å; L155-D207 HydrophobicContact CD1-CB 3.86Å; L155-D207 HydrophobicContact CD2-CB 4.28Å; L155-L210 HydrophobicContact CG-CD1 4.36Å
156	Y	88.7	Confident	84.8	Confident	4 Å²	4	67.9 Å²	67.9	2%	0.016	33%	0.329	C	S	.	.	H	α-helix	trans	-65	-27.2	-179.6	-87.3	-86.4	0	0	0	113.4	A122 S123 I152 R153 N158 Y159 L160 P166 V168 L206 L210	A122-Y156 WeakPolarHBondContact CB-OH 3.47Å; S123-Y156 PolarHBondContact N-OH 2.76Å; S123-Y156 WeakPolarHBondContact O-CE1 3.49Å; S123-Y156 PolarHBondContact O-OH 2.73Å; S123-Y156 WeakPolarHBondContact OG-CE1 3.43Å; S123-Y156 PolarHBondContact OG-OH 3.21Å; I152-Y156 HydrophobicContact CG2-CD2 3.55Å; I152-Y156 HydrophobicContact CG2-CE2 3.66Å; I152-Y156 WeakPolarHBondContact O-CD2 3.17Å; I152-Y156 PolarHBondContact O-N 3.09Å; R153-Y156 PolarHBondContact O-N 3.04Å; Y156-N158 PolarHBondContact O-N 3.25Å; Y156-N158 VanDerWaalsContact O-N 3.15Å; Y156-Y159 PolarHBondContact O-N 2.97Å; Y156-L160 HydrophobicContact CD1-CD1 3.53Å; Y156-L160 HydrophobicContact CD1-CG 4Å; Y156-L160 HydrophobicContact CE1-CD1 4.25Å; Y156-L160 HydrophobicContact CG-CD1 4.33Å; Y156-L160 PolarHBondContact O-N 3.03Å; Y156-P166 HydrophobicContact CD1-CB 3.57Å; Y156-P166 HydrophobicContact CD1-CG 4.3Å; Y156-P166 HydrophobicContact CD2-CB 3.8Å; Y156-P166 HydrophobicContact CD2-CG 3.97Å; Y156-P166 HydrophobicContact CE1-CB 3.63Å; Y156-P166 HydrophobicContact CE2-CB 3.88Å; Y156-P166 HydrophobicContact CE2-CG 4.44Å; Y156-P166 HydrophobicContact CG-CB 3.62Å; Y156-P166 HydrophobicContact CG-CG 3.87Å; Y156-V168 HydrophobicContact CE2-CG2 3.81Å; Y156-L206 HydrophobicContact CE2-CD2 4.48Å; Y156-L210 HydrophobicContact CD1-CD1 4.19Å; Y156-L210 HydrophobicContact CD1-CD2 4.38Å; Y156-L210 HydrophobicContact CE1-CD1 4.1Å; Y156-L210 HydrophobicContact CE1-CD2 3.82Å
157	S	85.1	Confident	85.1	Confident	76 Å²	76	64.6 Å²	64.6	53%	0.531	31%	0.311	S	S	.	.	H	α-helix	trans	-63.1	-18.7	176.5	75.4	0	0	0	0	113.7	R153 L154 L155	R153-S157 WeakPolarHBondContact O-CB 3.5Å; R153-S157 PolarHBondContact O-N 3.43Å; L154-S157 PolarHBondContact O-N 3.23Å; L154-S157 PolarHBondContact O-OG 2.95Å; L155-S157 VanDerWaalsContact C-N 3.26Å; L155-S157 PolarHBondContact O-N 3.43Å
158	N	85.3	Confident	85.3	Confident	127 Å²	127	61.9 Å²	61.9	68%	0.679	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-18.4	173.4	-59.7	-38.4	0	0	0	113.1	L155 Y156	L155-N158 WeakPolarHBondContact O-CB 3.41Å; L155-N158 PolarHBondContact O-N 3.36Å; L155-N158 VanDerWaalsContact O-N 3.17Å; Y156-N158 PolarHBondContact O-N 3.25Å; Y156-N158 VanDerWaalsContact O-N 3.15Å
159	Y	84.8	Confident	85.6	Confident	54 Å²	54	62.2 Å²	62.2	21%	0.212	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-33	-172.7	-66.4	-84.4	0	0	0	113.5	M125 L155 Y156 D207 L210 K211	M125-Y159 HydrophobicContact CE-CD1 4.12Å; M125-Y159 HydrophobicContact SD-CD1 3.96Å; L155-Y159 HydrophobicContact CD1-CE2 4.14Å; L155-Y159 WeakPolarHBondContact O-CD2 3.13Å; Y156-Y159 PolarHBondContact O-N 2.97Å; Y159-D207 WeakPolarHBondContact CE2-OD1 3.35Å; Y159-D207 PolarHBondContact OH-OD1 2.69Å; Y159-L210 HydrophobicContact CD1-CB 4.09Å; Y159-L210 HydrophobicContact CD2-CB 4.19Å; Y159-L210 HydrophobicContact CD2-CD1 3.46Å; Y159-L210 VanDerWaalsContact CD2-CD1 3.46Å; Y159-L210 HydrophobicContact CD2-CG 4.36Å; Y159-L210 HydrophobicContact CE1-CB 3.97Å; Y159-L210 HydrophobicContact CE2-CB 4.04Å; Y159-L210 HydrophobicContact CE2-CD1 3.75Å; Y159-L210 HydrophobicContact CG-CB 4.21Å; Y159-L210 HydrophobicContact CG-CD1 3.98Å; Y159-K211 WeakPolarHBondContact OH-CE 3.46Å; Y159-K211 WeakPolarHBondContact OH-CG 3.43Å
160	L	82.4	Confident	85.8	Confident	15 Å²	15	60.7 Å²	60.7	8%	0.079	29%	0.289	C	S	.	.	S	Bend	trans	-102.8	140.5	-177.4	-69.7	179.1	0	0	0	111.6	Y156 R164 P166	Y156-L160 HydrophobicContact CD1-CD1 3.53Å; Y156-L160 HydrophobicContact CD1-CG 4Å; Y156-L160 HydrophobicContact CE1-CD1 4.25Å; Y156-L160 HydrophobicContact CG-CD1 4.33Å; Y156-L160 PolarHBondContact O-N 3.03Å; L160-R164 HydrophobicContact CB-CB 4.24Å; L160-R164 HydrophobicContact CD1-CB 4.46Å; L160-R164 HydrophobicContact CD2-CB 4.45Å; L160-P166 HydrophobicContact CD1-CB 4.19Å
161	P	77.7	Confident	86.1	Confident	71 Å²	71	54.7 Å²	54.7	46%	0.461	27%	0.268	S	S	.	.			trans	-58.2	154.4	171.1	-23.2	32.8	0	0	0	112.9	H163 R164	P161-H163 PolarHBondContact O-N 3.44Å; P161-R164 PolarHBondContact O-N 3.35Å
162	K	71.2	Confident	86.2	Confident	191 Å²	191	53.4 Å²	53.4	83%	0.83	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-24.3	-175	-68.5	-176.9	179.6	177.9	0	115.8
163	H	69.9	Low	86.2	Confident	151 Å²	151	58.4 Å²	58.4	70%	0.699	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-1.2	-178	-56.9	-60.9	0	0	0	114.8	P161	P161-H163 PolarHBondContact O-N 3.44Å
164	R	78.5	Confident	86.2	Confident	88 Å²	88	53.1 Å²	53.1	33%	0.332	26%	0.263	S	S	.	.			trans	-102.2	138.5	178.4	-61.5	-166.2	-170.7	175.7	1.8	110.2	G129 L160 P161	G129-R164 WeakPolarHBondContact O-CA 3.36Å; L160-R164 HydrophobicContact CB-CB 4.24Å; L160-R164 HydrophobicContact CD1-CB 4.46Å; L160-R164 HydrophobicContact CD2-CB 4.45Å; P161-R164 PolarHBondContact O-N 3.35Å
165	Q	82.1	Confident	86	Confident	62 Å²	62	50.4 Å²	50.4	29%	0.29	25%	0.254	S	S	.	.			trans	-114.2	141.3	177.4	-64.5	-62.8	-27.6	0	0	109.4	Y127 G129 F132	Y127-Q165 WeakPolarHBondContact CD1-O 3.42Å; Y127-Q165 WeakPolarHBondContact CE1-O 3.39Å; G129-Q165 PolarHBondContact O-N 2.94Å; F132-Q165 HydrophobicContact CB-CB 4.35Å; F132-Q165 HydrophobicContact CB-CG 4.29Å; F132-Q165 HydrophobicContact CD2-CB 4.35Å
166	P	88.6	Confident	85.6	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.019	29%	0.286	C	S	.	.			trans	-77.7	155.8	178.8	32.8	-36.3	0	0	0	112.1	S123 I134 Y156 L160 V168	S123-P166 WeakPolarHBondContact OG-CA 3.19Å; S123-P166 WeakPolarHBondContact OG-CB 3.48Å; I134-P166 HydrophobicContact CD1-CG 4.12Å; Y156-P166 HydrophobicContact CD1-CB 3.57Å; Y156-P166 HydrophobicContact CD1-CG 4.3Å; Y156-P166 HydrophobicContact CD2-CB 3.8Å; Y156-P166 HydrophobicContact CD2-CG 3.97Å; Y156-P166 HydrophobicContact CE1-CB 3.63Å; Y156-P166 HydrophobicContact CE2-CB 3.88Å; Y156-P166 HydrophobicContact CE2-CG 4.44Å; Y156-P166 HydrophobicContact CG-CB 3.62Å; Y156-P166 HydrophobicContact CG-CG 3.87Å; L160-P166 HydrophobicContact CD1-CB 4.19Å; P166-V168 HydrophobicContact CB-CG2 4.25Å
167	F	90.3	Very high	85.2	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.4	165.6	-178.9	-83.8	0	0	0	108.3	I92 F96 V100 V104 V121 A122 S123 Y127 L133 F135	I92-F167 HydrophobicContact CD1-CE1 3.96Å; I92-F167 HydrophobicContact CD1-CZ 4.23Å; I92-F167 HydrophobicContact CG1-CE1 4.43Å; I92-F167 HydrophobicContact CG1-CZ 4.2Å; I92-F167 HydrophobicContact CG2-CZ 4.3Å; F96-F167 AromaticContact CD2-CE2 3.88Å; F96-F167 HydrophobicContact CD2-CE2 3.88Å; F96-F167 HydrophobicContact CD2-CZ 4.36Å; F96-F167 AromaticContact CE2-CE2 3.46Å; F96-F167 HydrophobicContact CE2-CE2 3.46Å; F96-F167 VanDerWaalsContact CE2-CE2 3.46Å; F96-F167 AromaticContact CE2-CZ 3.9Å; F96-F167 HydrophobicContact CE2-CZ 3.9Å; F96-F167 HydrophobicContact CZ-CE2 4.01Å; V100-F167 HydrophobicContact CG1-CD2 4.01Å; V100-F167 HydrophobicContact CG1-CE2 4.31Å; V100-F167 HydrophobicContact CG1-CG 4.19Å; V104-F167 HydrophobicContact CG1-CB 4.38Å; V104-F167 HydrophobicContact CG1-CD1 3.62Å; V104-F167 HydrophobicContact CG1-CE1 4.31Å; V104-F167 HydrophobicContact CG1-CG 4.27Å; V121-F167 HydrophobicContact CG2-CD1 4.41Å; V121-F167 HydrophobicContact CG2-CE1 3.87Å; A122-F167 CarbonylContact C-O 3.56Å; A122-F167 WeakPolarHBondContact CA-O 3.28Å; S123-F167 PolarHBondContact N-O 3.33Å; S123-F167 PolarHBondContact OG-N 3.39Å; S123-F167 PolarHBondContact OG-O 3.5Å; Y127-F167 HydrophobicContact CE1-CB 3.78Å; Y127-F167 HydrophobicContact CE2-CB 4.43Å; L133-F167 HydrophobicContact CB-CD2 3.68Å; L133-F167 HydrophobicContact CB-CE2 4.07Å; L133-F167 HydrophobicContact CD1-CD2 3.93Å; L133-F167 HydrophobicContact CD1-CE2 4.1Å; L133-F167 HydrophobicContact CG-CD2 4.48Å; L133-F167 WeakPolarHBondContact O-CA 3Å; F135-F167 HydrophobicContact CE1-CE2 4.37Å; F135-F167 HydrophobicContact CE1-CZ 4.06Å; F135-F167 HydrophobicContact CZ-CZ 4.5Å
168	V	92.6	Very high	84.8	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	122	179.7	-174.3	0	0	0	0	110.6	A122 L133 I134 F135 I152 Y156 P166 L170	A122-V168 HydrophobicContact CB-CG1 4.29Å; A122-V168 HydrophobicContact CB-CG2 4.19Å; L133-V168 PolarHBondContact O-N 3.38Å; I134-V168 WeakPolarHBondContact CA-O 3.24Å; I134-V168 HydrophobicContact CD1-CG2 4.41Å; I134-V168 HydrophobicContact CG1-CB 4.16Å; I134-V168 HydrophobicContact CG1-CG2 4.37Å; I134-V168 HydrophobicContact CG2-CB 4.24Å; F135-V168 PolarHBondContact N-O 3.25Å; F135-V168 VanDerWaalsContact N-O 3.07Å; I152-V168 HydrophobicContact CD1-CG1 4.25Å; I152-V168 HydrophobicContact CG2-CG2 4Å; Y156-V168 HydrophobicContact CE2-CG2 3.81Å; P166-V168 HydrophobicContact CB-CG2 4.25Å; V168-L170 HydrophobicContact CG1-CD1 4.09Å; V168-L170 HydrophobicContact CG1-CG 3.9Å
169	Y	94.4	Very high	84.6	Confident	11 Å²	11	60.6 Å²	60.6	4%	0.043	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.3	169.9	161.5	-123.3	0	0	0	108.3	I61 H62 V88 G120 V121 F135 F137	I61-Y169 HydrophobicContact CG2-CD1 3.8Å; I61-Y169 HydrophobicContact CG2-CE1 3.96Å; I61-Y169 HydrophobicContact CG2-CG 4.12Å; H62-Y169 WeakPolarHBondContact CA-OH 3.4Å; H62-Y169 HydrophobicContact CB-CE2 4.33Å; H62-Y169 AromaticContact ND1-CZ 3.86Å; H62-Y169 PolarHBondContact ND1-OH 2.94Å; V88-Y169 HydrophobicContact CG1-CD1 4.12Å; V88-Y169 HydrophobicContact CG1-CE1 3.95Å; G120-Y169 CarbonylContact C-O 3.58Å; G120-Y169 VanDerWaalsContact CA-O 3.23Å; G120-Y169 WeakPolarHBondContact CA-O 3.39Å; V121-Y169 HydrophobicContact CG2-CD1 4.2Å; V121-Y169 PolarHBondContact N-O 3.22Å; V121-Y169 PolarHBondContact O-N 3.36Å; V121-Y169 VanDerWaalsContact O-O 3.05Å; F135-Y169 AromaticContact CD2-CD2 3.71Å; F135-Y169 HydrophobicContact CD2-CD2 3.71Å; F135-Y169 HydrophobicContact CD2-CE2 4.43Å; F135-Y169 AromaticContact CE2-CD2 3.15Å; F135-Y169 HydrophobicContact CE2-CD2 3.15Å; F135-Y169 AromaticContact CE2-CE2 3.87Å; F135-Y169 HydrophobicContact CE2-CE2 3.87Å; F135-Y169 AromaticContact CE2-CG 3.77Å; F135-Y169 HydrophobicContact CE2-CG 3.77Å; F135-Y169 AromaticContact CZ-CD2 3.74Å; F135-Y169 HydrophobicContact CZ-CD2 3.74Å; F135-Y169 AromaticContact CZ-CG 3.84Å; F135-Y169 HydrophobicContact CZ-CG 3.84Å; F137-Y169 HydrophobicContact CD2-CD2 4.43Å; F137-Y169 AromaticContact CD2-CE2 3.79Å; F137-Y169 HydrophobicContact CD2-CE2 3.79Å; F137-Y169 HydrophobicContact CE2-CE2 4.34Å
170	L	94.2	Very high	84.2	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.016	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136	173.5	-59	168.6	0	0	0	110.7	F135 F136 F137 I152 V168 L172 V202	F135-L170 PolarHBondContact O-N 2.93Å; F136-L170 CarbonylContact C-O 3.59Å; F136-L170 VanDerWaalsContact CA-O 3.27Å; F136-L170 WeakPolarHBondContact CA-O 3.17Å; F136-L170 HydrophobicContact CD1-CB 4.03Å; F136-L170 HydrophobicContact CD1-CD1 4.31Å; F136-L170 HydrophobicContact CD1-CG 4.5Å; F136-L170 HydrophobicContact CE1-CD1 4.07Å; F137-L170 PolarHBondContact N-O 2.78Å; I152-L170 HydrophobicContact CD1-CD1 4.32Å; V168-L170 HydrophobicContact CG1-CD1 4.09Å; V168-L170 HydrophobicContact CG1-CG 3.9Å; L170-L172 HydrophobicContact CB-CD1 4.02Å; L170-V202 HydrophobicContact CD1-CG1 3.62Å
171	S	94.4	Very high	83.8	Confident	8 Å²	8	63.6 Å²	63.6	6%	0.056	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	112.5	170.9	-179.1	0	0	0	0	108.7	H62 A118 T119 F137	H62-S171 PolarHBondContact CE1-OG 3.13Å; A118-S171 CarbonylContact C-O 3.58Å; A118-S171 VanDerWaalsContact CA-O 3.27Å; A118-S171 WeakPolarHBondContact CA-O 3.22Å; T119-S171 PolarHBondContact N-O 3.19Å; T119-S171 WeakPolarHBondContact O-CA 3.11Å; T119-S171 WeakPolarHBondContact O-CB 3.22Å; T119-S171 PolarHBondContact O-N 3.33Å; F137-S171 CarbonylContact O-C 3.51Å; F137-S171 WeakPolarHBondContact O-CA 3.01Å
172	L	91.9	Very high	83.3	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.4	-179.5	-65	88	0	0	0	109.7	A118 F136 F137 V138 N139 L170 V174 I198	A118-L172 HydrophobicContact CB-CG 4.08Å; F136-L172 HydrophobicContact CB-CD1 4.38Å; F137-L172 PolarHBondContact O-N 2.68Å; V138-L172 CarbonylContact C-O 3.58Å; V138-L172 VanDerWaalsContact CA-O 3.3Å; V138-L172 WeakPolarHBondContact CA-O 3.11Å; V138-L172 HydrophobicContact CG2-CB 4.41Å; N139-L172 PolarHBondContact N-O 2.89Å; L170-L172 HydrophobicContact CB-CD1 4.02Å; L172-V174 HydrophobicContact CB-CG2 4.27Å; L172-I198 HydrophobicContact CD2-CG2 4.04Å
173	Q	92.1	Very high	82.8	Confident	105 Å²	105	61.9 Å²	61.9	49%	0.491	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	113.9	167.6	-64.9	-175.7	-27.3	0	0	108.4	F116 K117 N139	F116-Q173 CarbonylContact C-O 3.59Å; F116-Q173 VanDerWaalsContact CA-O 3.24Å; F116-Q173 WeakPolarHBondContact CA-O 3.37Å; K117-Q173 HydrophobicContact CB-CB 4.44Å; K117-Q173 PolarHBondContact N-O 2.96Å; K117-Q173 PolarHBondContact O-N 2.71Å; N139-Q173 WeakPolarHBondContact OD1-CA 3.49Å
174	V	87.8	Confident	82.3	Confident	6 Å²	6	58 Å²	58	4%	0.036	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	138.6	-177.3	-176.3	0	0	0	0	108.7	F116 N139 L172 K176 K178 I179 F192	F116-V174 HydrophobicContact CB-CG2 3.89Å; N139-V174 PolarHBondContact ND2-O 3.37Å; N139-V174 PolarHBondContact OD1-N 2.98Å; N139-V174 PolarHBondContact OD1-O 3.38Å; L172-V174 HydrophobicContact CB-CG2 4.27Å; V174-K176 PolarHBondContact O-N 2.72Å; V174-K178 HydrophobicContact CG1-CB 4.18Å; V174-I179 HydrophobicContact CB-CD1 3.65Å; V174-I179 HydrophobicContact CB-CG1 4.01Å; V174-I179 HydrophobicContact CG1-CD1 3.97Å; V174-I179 HydrophobicContact CG1-CG1 3.77Å; V174-F192 HydrophobicContact CG2-CD1 4.43Å; V174-F192 HydrophobicContact CG2-CE1 4.36Å
175	S	84.9	Confident	81.2	Confident	61 Å²	61	59.9 Å²	59.9	43%	0.427	31%	0.308	S	S	.	.			trans	-53.7	127.8	175.4	-64	0	0	0	0	111.7	H177 K178	S175-H177 PolarHBondContact O-N 2.83Å; S175-K178 PolarHBondContact O-N 3.29Å
176	K	80.4	Confident	80.5	Confident	177 Å²	177	60.1 Å²	60.1	77%	0.77	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-51.7	-32.1	-174	-65	-179.9	-179.1	177	0	114.1	V174 K178	V174-K176 PolarHBondContact O-N 2.72Å; K176-K178 VanDerWaalsContact C-N 3.25Å; K176-K178 PolarHBondContact O-N 3.37Å
177	H	79.9	Confident	79.6	Confident	186 Å²	186	64.2 Å²	64.2	86%	0.861	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-73.4	-11.8	179.5	-55.5	-67.1	0	0	0	114.4	S175	S175-H177 PolarHBondContact O-N 2.83Å
178	K	78.1	Confident	78.7	Confident	51 Å²	51	69.4 Å²	69.4	22%	0.222	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-102.8	9.2	-179.2	-59.9	-171.8	-178.5	-173.4	0	112.9	F114 V174 S175 K176 L193 Y194	F114-K178 VanDerWaalsContact C-NZ 3.32Å; F114-K178 WeakPolarHBondContact O-CD 3.36Å; F114-K178 PolarHBondContact O-NZ 3.43Å; V174-K178 HydrophobicContact CG1-CB 4.18Å; S175-K178 PolarHBondContact O-N 3.29Å; K176-K178 VanDerWaalsContact C-N 3.25Å; K176-K178 PolarHBondContact O-N 3.37Å; K178-L193 HydrophobicContact CB-CB 4.28Å; K178-L193 PolarHBondContact O-N 3.26Å; K178-Y194 HydrophobicContact CD-CD2 4.24Å; K178-Y194 HydrophobicContact CD-CE2 4.11Å
179	I	79.8	Confident	77.8	Confident	28 Å²	28	73.3 Å²	73.3	14%	0.144	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.9	-174.5	-64.2	170.4	0	0	0	109.6	V138 N139 V174 V181 V190 F192	V138-I179 HydrophobicContact CG1-CD1 3.92Å; N139-I179 WeakPolarHBondContact ND2-CD1 3.37Å; V174-I179 HydrophobicContact CB-CD1 3.65Å; V174-I179 HydrophobicContact CB-CG1 4.01Å; V174-I179 HydrophobicContact CG1-CD1 3.97Å; V174-I179 HydrophobicContact CG1-CG1 3.77Å; I179-V181 HydrophobicContact CG2-CG2 3.89Å; I179-V190 HydrophobicContact CG2-CG1 3.19Å; I179-F192 HydrophobicContact CG1-CD1 4.45Å
180	D	76.9	Confident	76.8	Confident	81 Å²	81	73.3 Å²	73.3	43%	0.433	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.8	167.6	-170.7	-1.3	0	0	0	110.4	N182 L183 S191	D180-N182 PolarHBondContact OD1-N 3.24Å; D180-L183 HydrophobicContact CB-CD1 4.42Å; D180-S191 PolarHBondContact N-O 3.02Å; D180-S191 PolarHBondContact O-N 3Å
181	V	73.2	Confident	75.8	Confident	51 Å²	51	75 Å²	75	31%	0.309	39%	0.387	S	S	.	.			trans	-93.3	-12	-177.4	-173.2	0	0	0	0	111.6	I179 L183 K187	I179-V181 HydrophobicContact CG2-CG2 3.89Å; V181-L183 VanDerWaalsContact C-N 3.31Å; V181-L183 PolarHBondContact O-N 3.35Å; V181-K187 HydrophobicContact CG1-CB 3.95Å; V181-K187 HydrophobicContact CG1-CD 3.75Å; V181-K187 HydrophobicContact CG1-CG 3.89Å
182	N	68.5	Low	75.2	Confident	136 Å²	136	75.3 Å²	75.3	73%	0.727	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	32.4	-168.9	-73	-20.6	0	0	0	114.2	D180	D180-N182 PolarHBondContact OD1-N 3.24Å
183	L	60.9	Low	74.5	Confident	90 Å²	90	80.8 Å²	80.8	47%	0.471	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-24.3	-178	-74	146.5	0	0	0	114.6	D180 V181	D180-L183 HydrophobicContact CB-CD1 4.42Å; V181-L183 VanDerWaalsContact C-N 3.31Å; V181-L183 PolarHBondContact O-N 3.35Å
184	H	57.9	Low	74	Confident	69 Å²	69	80 Å²	80	32%	0.319	41%	0.409	S	S	.	.	S	Bend	trans	-140.4	143.4	-176.8	-166.5	-92.9	0	0	0	111.4	T186 K187 Q189	H184-T186 VanDerWaalsContact C-N 3.27Å; H184-T186 PolarHBondContact CE1-OG1 3.43Å; H184-T186 PolarHBondContact ND1-N 3.42Å; H184-T186 PolarHBondContact ND1-OG1 3.3Å; H184-T186 PolarHBondContact O-N 3.44Å; H184-K187 WeakPolarHBondContact O-CA 3.5Å; H184-K187 PolarHBondContact O-N 3.02Å; H184-Q189 HydrophobicContact CB-CB 4.18Å
185	P	55.7	Low	73.7	Confident	127 Å²	127	81.8 Å²	81.8	83%	0.825	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-35.4	-179.3	-27.1	34.5	0	0	0	114.3	K187	P185-K187 VanDerWaalsContact C-N 3.28Å
186	T	67.2	Low	73.8	Confident	67 Å²	67	86.6 Å²	86.6	41%	0.411	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.9	175	62.9	0	0	0	0	113.2	R141 H184 Q188	R141-T186 PolarHBondContact NH2-O 3.02Å; R141-T186 VanDerWaalsContact NH2-O 3.1Å; H184-T186 VanDerWaalsContact C-N 3.27Å; H184-T186 PolarHBondContact CE1-OG1 3.43Å; H184-T186 PolarHBondContact ND1-N 3.42Å; H184-T186 PolarHBondContact ND1-OG1 3.3Å; H184-T186 PolarHBondContact O-N 3.44Å; T186-Q188 PolarHBondContact O-N 2.65Å; T186-Q188 VanDerWaalsContact O-N 3.15Å; T186-Q188 WeakPolarHBondContact OG1-CB 3.46Å; T186-Q188 WeakPolarHBondContact OG1-CG 3.34Å; T186-Q188 PolarHBondContact OG1-OE1 2.9Å
187	K	70.4	Confident	74.1	Confident	90 Å²	90	81.7 Å²	81.7	39%	0.391	41%	0.41	S	S	.	.	S	Bend	trans	49.1	36.2	-172.3	-57.4	167.4	170.2	179.3	0	111.6	R141 V181 H184 P185	R141-K187 PolarHBondContact NE-O 2.95Å; R141-K187 VanDerWaalsContact NH2-CB 3.35Å; V181-K187 HydrophobicContact CG1-CB 3.95Å; V181-K187 HydrophobicContact CG1-CD 3.75Å; V181-K187 HydrophobicContact CG1-CG 3.89Å; H184-K187 WeakPolarHBondContact O-CA 3.5Å; H184-K187 PolarHBondContact O-N 3.02Å; P185-K187 VanDerWaalsContact C-N 3.28Å
188	Q	71	Confident	74.4	Confident	109 Å²	109	73.1 Å²	73.1	51%	0.509	37%	0.371	S	S	.	.			trans	-80.9	-27.5	175.4	-82.6	172.4	-28.2	0	0	111.4	V143 D144 T186	V143-Q188 CarbonylContact C-O 3.52Å; V143-Q188 WeakPolarHBondContact CA-O 3.42Å; V143-Q188 WeakPolarHBondContact CG1-O 3.32Å; D144-Q188 PolarHBondContact N-O 2.93Å; T186-Q188 PolarHBondContact O-N 2.65Å; T186-Q188 VanDerWaalsContact O-N 3.15Å; T186-Q188 WeakPolarHBondContact OG1-CB 3.46Å; T186-Q188 WeakPolarHBondContact OG1-CG 3.34Å; T186-Q188 PolarHBondContact OG1-OE1 2.9Å
189	Q	74.6	Confident	75	Confident	81 Å²	81	71 Å²	71	38%	0.379	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-104.9	140	174.9	-65	179.9	-15.7	0	0	109.4	H184	H184-Q189 HydrophobicContact CB-CB 4.18Å
190	V	73.9	Confident	75.5	Confident	12 Å²	12	74.3 Å²	74.3	7%	0.073	38%	0.38	C	S	.	.			trans	-136.4	138.3	-176.9	178.3	0	0	0	0	107.6	V143 I179 F192	V143-V190 HydrophobicContact CB-CG2 4.38Å; V143-V190 HydrophobicContact CG1-CB 3.81Å; V143-V190 HydrophobicContact CG1-CG2 3.74Å; V143-V190 HydrophobicContact CG2-CB 4.45Å; V143-V190 HydrophobicContact CG2-CG2 3.61Å; I179-V190 HydrophobicContact CG2-CG1 3.19Å; V190-F192 HydrophobicContact CG1-CE1 4.49Å
191	S	73.3	Confident	76.2	Confident	39 Å²	39	72.1 Å²	72.1	27%	0.273	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	143.7	171.6	-173.8	0	0	0	0	109.5	D180 E195	D180-S191 PolarHBondContact N-O 3.02Å; D180-S191 PolarHBondContact O-N 3Å; S191-E195 PolarHBondContact OG-OE2 2.97Å
192	F	80.3	Confident	77.1	Confident	13 Å²	13	69.8 Å²	69.8	6%	0.057	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143.7	179	-47	-81.1	0	0	0	109.1	V138 V174 I179 V190 Y194 E195 I198	V138-F192 HydrophobicContact CG1-CE1 3.92Å; V138-F192 HydrophobicContact CG2-CE1 4.01Å; V138-F192 HydrophobicContact CG2-CZ 3.86Å; V174-F192 HydrophobicContact CG2-CD1 4.43Å; V174-F192 HydrophobicContact CG2-CE1 4.36Å; I179-F192 HydrophobicContact CG1-CD1 4.45Å; V190-F192 HydrophobicContact CG1-CE1 4.49Å; F192-Y194 PolarHBondContact O-N 2.68Å; F192-E195 HydrophobicContact CB-CB 4.04Å; F192-E195 HydrophobicContact CD2-CB 4.22Å; F192-E195 HydrophobicContact CD2-CG 4.07Å; F192-E195 WeakPolarHBondContact O-CB 3.46Å; F192-E195 PolarHBondContact O-N 3.36Å; F192-I198 HydrophobicContact CB-CD1 3.92Å; F192-I198 HydrophobicContact CD1-CD1 4.48Å; F192-I198 HydrophobicContact CG-CD1 4.24Å
193	L	77	Confident	78.2	Confident	117 Å²	117	64.7 Å²	64.7	61%	0.613	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-35.8	176.5	-172.7	67.3	0	0	0	112.6	K178	K178-L193 HydrophobicContact CB-CB 4.28Å; K178-L193 PolarHBondContact O-N 3.26Å
194	Y	81.6	Confident	79.6	Confident	88 Å²	88	63.6 Å²	63.6	35%	0.345	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	45.7	178.9	-56.1	-69	0	0	0	111	F114 K178 F192 K196 E197 I198	F114-Y194 HydrophobicContact CD1-CD1 4.3Å; F114-Y194 HydrophobicContact CD1-CD2 4.31Å; F114-Y194 AromaticContact CD1-CG 3.95Å; F114-Y194 HydrophobicContact CD1-CG 3.95Å; K178-Y194 HydrophobicContact CD-CD2 4.24Å; K178-Y194 HydrophobicContact CD-CE2 4.11Å; F192-Y194 PolarHBondContact O-N 2.68Å; Y194-K196 VanDerWaalsContact C-N 3.28Å; Y194-K196 PolarHBondContact O-N 3.26Å; Y194-E197 VanDerWaalsContact CA-OE2 3.28Å; Y194-E197 WeakPolarHBondContact CA-OE2 3.47Å; Y194-E197 PolarHBondContact O-N 3.45Å; Y194-I198 WeakPolarHBondContact O-CB 2.99Å; Y194-I198 VanDerWaalsContact O-CG1 3.24Å; Y194-I198 WeakPolarHBondContact O-CG1 3.49Å; Y194-I198 PolarHBondContact O-N 3.24Å
195	E	83	Confident	81.3	Confident	45 Å²	45	61.2 Å²	61.2	21%	0.21	32%	0.321	C	S	.	.	H	α-helix	trans	-54.7	-42.1	-173.3	178.5	169.6	-178.1	0	0	112.9	V147 S191 F192 V199	V147-E195 WeakPolarHBondContact CB-OE1 3.15Å; V147-E195 VanDerWaalsContact CG2-OE1 3.23Å; V147-E195 WeakPolarHBondContact CG2-OE1 3.26Å; S191-E195 PolarHBondContact OG-OE2 2.97Å; F192-E195 HydrophobicContact CB-CB 4.04Å; F192-E195 HydrophobicContact CD2-CB 4.22Å; F192-E195 HydrophobicContact CD2-CG 4.07Å; F192-E195 WeakPolarHBondContact O-CB 3.46Å; F192-E195 PolarHBondContact O-N 3.36Å; E195-V199 WeakPolarHBondContact O-CB 3.38Å; E195-V199 WeakPolarHBondContact O-CG2 3.46Å; E195-V199 PolarHBondContact O-N 3.5Å
196	K	85.4	Confident	83	Confident	161 Å²	161	55.2 Å²	55.2	70%	0.7	28%	0.281	S	S	*	.	H	α-helix	trans	-66.6	-45.7	-178.5	-69.4	179.2	-179.3	176.8	0	111.6	Y194 V199 D200	Y194-K196 VanDerWaalsContact C-N 3.28Å; Y194-K196 PolarHBondContact O-N 3.26Å; K196-V199 WeakPolarHBondContact O-CB 3.38Å; K196-V199 PolarHBondContact O-N 3.36Å; K196-D200 VanDerWaalsContact O-CG 3.31Å; K196-D200 PolarHBondContact O-N 2.85Å
197	E	87.2	Confident	84.1	Confident	74 Å²	74	53.7 Å²	53.7	35%	0.346	27%	0.271	S	S	.	.	H	α-helix	trans	-69	-41.2	-176.6	-61.1	82.7	175.5	0	0	111.3	F114 Y194 V199 D200 V201	F114-E197 HydrophobicContact CD1-CB 3.88Å; F114-E197 HydrophobicContact CD1-CG 4.31Å; F114-E197 HydrophobicContact CD2-CB 4.04Å; F114-E197 HydrophobicContact CE1-CB 3.58Å; F114-E197 HydrophobicContact CE1-CG 3.61Å; F114-E197 HydrophobicContact CE2-CB 3.75Å; F114-E197 HydrophobicContact CE2-CG 4.39Å; F114-E197 HydrophobicContact CG-CB 4.11Å; F114-E197 HydrophobicContact CZ-CB 3.51Å; F114-E197 HydrophobicContact CZ-CG 3.66Å; Y194-E197 VanDerWaalsContact CA-OE2 3.28Å; Y194-E197 WeakPolarHBondContact CA-OE2 3.47Å; Y194-E197 PolarHBondContact O-N 3.45Å; E197-V199 VanDerWaalsContact C-N 3.32Å; E197-V199 PolarHBondContact O-N 3.47Å; E197-D200 PolarHBondContact O-N 3.3Å; E197-V201 WeakPolarHBondContact O-CG2 3.47Å; E197-V201 PolarHBondContact O-N 3.35Å
198	I	87.2	Confident	85.1	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-45.7	173.4	-66	168.3	0	0	0	109.8	F114 F116 L172 F192 Y194 D200 V201 V202	F114-I198 HydrophobicContact CB-CG1 4.43Å; F116-I198 HydrophobicContact CD1-CB 4.46Å; F116-I198 HydrophobicContact CD1-CD1 4.48Å; F116-I198 HydrophobicContact CD1-CG1 3.72Å; F116-I198 HydrophobicContact CD1-CG2 4.37Å; F116-I198 HydrophobicContact CD2-CG2 4.14Å; F116-I198 HydrophobicContact CE1-CB 4.3Å; F116-I198 HydrophobicContact CE1-CG1 3.94Å; F116-I198 HydrophobicContact CE1-CG2 4.29Å; F116-I198 HydrophobicContact CE2-CG2 4.07Å; F116-I198 HydrophobicContact CG-CG1 4.19Å; F116-I198 HydrophobicContact CG-CG2 4.29Å; F116-I198 HydrophobicContact CZ-CG2 4.14Å; L172-I198 HydrophobicContact CD2-CG2 4.04Å; F192-I198 HydrophobicContact CB-CD1 3.92Å; F192-I198 HydrophobicContact CD1-CD1 4.48Å; F192-I198 HydrophobicContact CG-CD1 4.24Å; Y194-I198 WeakPolarHBondContact O-CB 2.99Å; Y194-I198 VanDerWaalsContact O-CG1 3.24Å; Y194-I198 WeakPolarHBondContact O-CG1 3.49Å; Y194-I198 PolarHBondContact O-N 3.24Å; I198-D200 PolarHBondContact O-N 3.43Å; I198-V201 PolarHBondContact O-N 3.34Å; I198-V202 HydrophobicContact CG2-CG2 4.44Å; I198-V202 VanDerWaalsContact O-CG2 3.27Å; I198-V202 WeakPolarHBondContact O-CG2 3.5Å; I198-V202 PolarHBondContact O-N 3.06Å
199	V	89.7	Confident	85.9	Confident	7 Å²	7	49.5 Å²	49.5	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-59.5	-46.6	177	168.1	0	0	0	0	110.9	V147 L148 E195 K196 E197 V201 V202 L203	V147-V199 HydrophobicContact CG1-CG2 4.28Å; L148-V199 HydrophobicContact CB-CG2 4.4Å; L148-V199 HydrophobicContact CD1-CB 4.45Å; L148-V199 HydrophobicContact CD1-CG1 4.33Å; L148-V199 HydrophobicContact CD1-CG2 4Å; E195-V199 WeakPolarHBondContact O-CB 3.38Å; E195-V199 WeakPolarHBondContact O-CG2 3.46Å; E195-V199 PolarHBondContact O-N 3.5Å; K196-V199 WeakPolarHBondContact O-CB 3.38Å; K196-V199 PolarHBondContact O-N 3.36Å; E197-V199 VanDerWaalsContact C-N 3.32Å; E197-V199 PolarHBondContact O-N 3.47Å; V199-V201 PolarHBondContact O-N 2.97Å; V199-V202 PolarHBondContact O-N 3.37Å; V199-L203 HydrophobicContact CG1-CD1 3.72Å; V199-L203 HydrophobicContact CG1-CG 4.19Å; V199-L203 WeakPolarHBondContact O-CB 3.4Å; V199-L203 WeakPolarHBondContact O-CG 3.44Å; V199-L203 PolarHBondContact O-N 2.8Å
200	D	90.4	Very high	86.6	Confident	98 Å²	98	45.6 Å²	45.6	52%	0.524	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-40	-178.8	-73	-20.1	0	0	0	112.7	K196 E197 I198 S204	K196-D200 VanDerWaalsContact O-CG 3.31Å; K196-D200 PolarHBondContact O-N 2.85Å; E197-D200 PolarHBondContact O-N 3.3Å; I198-D200 PolarHBondContact O-N 3.43Å; D200-S204 WeakPolarHBondContact O-CB 3.29Å; D200-S204 PolarHBondContact O-N 3.14Å; D200-S204 PolarHBondContact O-OG 2.88Å
201	V	91.4	Very high	87.1	Confident	35 Å²	35	49.6 Å²	49.6	21%	0.212	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-44.2	175.9	174.5	0	0	0	0	111.1	C109 F116 E197 I198 V199 L203 S204 A205	C109-V201 HydrophobicContact CB-CG1 4.49Å; F116-V201 HydrophobicContact CE1-CB 4.25Å; F116-V201 HydrophobicContact CE1-CG1 4.26Å; F116-V201 HydrophobicContact CZ-CB 3.77Å; F116-V201 HydrophobicContact CZ-CG1 3.6Å; E197-V201 WeakPolarHBondContact O-CG2 3.47Å; E197-V201 PolarHBondContact O-N 3.35Å; I198-V201 PolarHBondContact O-N 3.34Å; V199-V201 PolarHBondContact O-N 2.97Å; V201-L203 PolarHBondContact O-N 3.31Å; V201-S204 PolarHBondContact O-N 3.46Å; V201-A205 PolarHBondContact O-N 3.31Å
202	V	91.9	Very high	87.6	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-42.8	176.9	172	0	0	0	0	111.3	F116 L148 L170 I198 V199 S204 A205 L206	F116-V202 HydrophobicContact CE2-CG2 4.1Å; F116-V202 HydrophobicContact CZ-CG2 4.48Å; L148-V202 HydrophobicContact CD1-CB 4.35Å; L148-V202 HydrophobicContact CD1-CG1 4.03Å; L170-V202 HydrophobicContact CD1-CG1 3.62Å; I198-V202 HydrophobicContact CG2-CG2 4.44Å; I198-V202 VanDerWaalsContact O-CG2 3.27Å; I198-V202 WeakPolarHBondContact O-CG2 3.5Å; I198-V202 PolarHBondContact O-N 3.06Å; V199-V202 PolarHBondContact O-N 3.37Å; V202-S204 VanDerWaalsContact C-N 3.34Å; V202-S204 PolarHBondContact O-N 3.34Å; V202-A205 PolarHBondContact O-N 3.35Å; V202-L206 HydrophobicContact CG1-CD1 4.05Å; V202-L206 WeakPolarHBondContact O-CG 3.49Å; V202-L206 PolarHBondContact O-N 3.38Å
203	L	92	Very high	87.3	Confident	29 Å²	29	52.7 Å²	52.7	15%	0.152	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-40	176.2	-70.1	171.5	0	0	0	111.9	I152 L155 V199 V201 A205 L206 D207	I152-L203 HydrophobicContact CG1-CD2 4.12Å; L155-L203 HydrophobicContact CB-CD2 4.18Å; L155-L203 HydrophobicContact CD2-CD2 4.06Å; V199-L203 HydrophobicContact CG1-CD1 3.72Å; V199-L203 HydrophobicContact CG1-CG 4.19Å; V199-L203 WeakPolarHBondContact O-CB 3.4Å; V199-L203 WeakPolarHBondContact O-CG 3.44Å; V199-L203 PolarHBondContact O-N 2.8Å; V201-L203 PolarHBondContact O-N 3.31Å; L203-A205 VanDerWaalsContact C-N 3.33Å; L203-A205 PolarHBondContact O-N 3.31Å; L203-L206 PolarHBondContact O-N 2.97Å; L203-D207 VanDerWaalsContact O-CB 3.26Å; L203-D207 WeakPolarHBondContact O-CB 3.42Å; L203-D207 PolarHBondContact O-N 3.2Å
204	S	91.5	Very high	86.5	Confident	66 Å²	66	48.9 Å²	48.9	46%	0.462	26%	0.255	S	S	.	.	H	α-helix	trans	-63.8	-39.8	177.8	-61	0	0	0	0	111.5	D200 V201 V202 D207 N208	D200-S204 WeakPolarHBondContact O-CB 3.29Å; D200-S204 PolarHBondContact O-N 3.14Å; D200-S204 PolarHBondContact O-OG 2.88Å; V201-S204 PolarHBondContact O-N 3.46Å; V202-S204 VanDerWaalsContact C-N 3.34Å; V202-S204 PolarHBondContact O-N 3.34Å; S204-D207 PolarHBondContact O-N 3.19Å; S204-N208 WeakPolarHBondContact O-CB 3.45Å; S204-N208 PolarHBondContact O-N 2.75Å; S204-N208 PolarHBondContact O-ND2 3.48Å
205	A	91.9	Very high	85.3	Confident	20 Å²	20	50.2 Å²	50.2	17%	0.165	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-44.9	174.5	0	0	0	0	0	112	I107 C109 V201 V202 L203 N208 M209	I107-A205 HydrophobicContact CG2-CB 4.18Å; C109-A205 HydrophobicContact CB-CB 3.8Å; V201-A205 PolarHBondContact O-N 3.31Å; V202-A205 PolarHBondContact O-N 3.35Å; L203-A205 VanDerWaalsContact C-N 3.33Å; L203-A205 PolarHBondContact O-N 3.31Å; A205-N208 PolarHBondContact O-N 2.76Å; A205-M209 PolarHBondContact O-N 3.47Å
206	L	91.9	Very high	83.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-42	175.3	-75.7	164.9	0	0	0	112.4	I107 A122 I152 L155 Y156 V202 L203 M209 L210	I107-L206 HydrophobicContact CD1-CD2 3.3Å; I107-L206 HydrophobicContact CD1-CG 4.14Å; A122-L206 HydrophobicContact CB-CD2 3.51Å; I152-L206 HydrophobicContact CD1-CD1 4.02Å; I152-L206 HydrophobicContact CG1-CD1 3.8Å; L155-L206 HydrophobicContact CD2-CB 3.52Å; Y156-L206 HydrophobicContact CE2-CD2 4.48Å; V202-L206 HydrophobicContact CG1-CD1 4.05Å; V202-L206 WeakPolarHBondContact O-CG 3.49Å; V202-L206 PolarHBondContact O-N 3.38Å; L203-L206 PolarHBondContact O-N 2.97Å; L206-M209 PolarHBondContact O-N 3.14Å; L206-L210 WeakPolarHBondContact O-CG 3.26Å; L206-L210 PolarHBondContact O-N 3.03Å
207	D	91.3	Very high	82.2	Confident	36 Å²	36	51 Å²	51	19%	0.193	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-41.7	179.2	-170.3	43.5	0	0	0	111.2	L155 Y159 L203 S204 L210 K211	L155-D207 HydrophobicContact CD1-CB 3.86Å; L155-D207 HydrophobicContact CD2-CB 4.28Å; Y159-D207 WeakPolarHBondContact CE2-OD1 3.35Å; Y159-D207 PolarHBondContact OH-OD1 2.69Å; L203-D207 VanDerWaalsContact O-CB 3.26Å; L203-D207 WeakPolarHBondContact O-CB 3.42Å; L203-D207 PolarHBondContact O-N 3.2Å; S204-D207 PolarHBondContact O-N 3.19Å; D207-L210 PolarHBondContact O-N 2.65Å; D207-K211 VanDerWaalsContact O-CG 3.29Å; D207-K211 WeakPolarHBondContact O-CG 3.35Å; D207-K211 PolarHBondContact O-N 2.82Å; D207-K211 IonicContact OD1-NZ 3.3Å; D207-K211 WeakPolarHBondContact OD2-CE 3.31Å; D207-K211 IonicContact OD2-NZ 3.63Å; D207-K211 PolarHBondContact OD2-NZ 3.3Å
208	N	89.8	Confident	80	Confident	90 Å²	90	52.4 Å²	52.4	48%	0.481	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-41.9	174	-71.9	-23.1	0	0	0	112	S204 A205 K211 N212	S204-N208 WeakPolarHBondContact O-CB 3.45Å; S204-N208 PolarHBondContact O-N 2.75Å; S204-N208 PolarHBondContact O-ND2 3.48Å; A205-N208 PolarHBondContact O-N 2.76Å; N208-K211 PolarHBondContact O-N 3Å; N208-N212 VanDerWaalsContact O-CG 3.26Å; N208-N212 PolarHBondContact O-N 2.85Å; N208-N212 PolarHBondContact O-ND2 2.88Å
209	M	89.4	Confident	77.9	Confident	20 Å²	20	56.3 Å²	56.3	10%	0.099	33%	0.33	C	S	.	.	H	α-helix	trans	-61	-45	175.2	-179.2	-130.2	47.2	0	0	111.5	V105 I107 A122 A205 L206 K211 N212 S213	V105-M209 HydrophobicContact CB-CG 4.5Å; V105-M209 HydrophobicContact CB-SD 4.15Å; V105-M209 HydrophobicContact CG1-CG 4.28Å; I107-M209 HydrophobicContact CD1-CB 4.17Å; I107-M209 HydrophobicContact CD1-CE 4.4Å; I107-M209 HydrophobicContact CD1-CG 4.16Å; I107-M209 HydrophobicContact CD1-SD 3.61Å; I107-M209 HydrophobicContact CG1-CB 4.45Å; I107-M209 HydrophobicContact CG1-CG 4.22Å; I107-M209 HydrophobicContact CG1-SD 4Å; A122-M209 HydrophobicContact CB-CE 4.49Å; A122-M209 HydrophobicContact CB-SD 4.23Å; A205-M209 PolarHBondContact O-N 3.47Å; L206-M209 PolarHBondContact O-N 3.14Å; M209-K211 PolarHBondContact O-N 3.48Å; M209-N212 PolarHBondContact O-N 2.9Å; M209-S213 PolarHBondContact O-N 3.4Å
210	L	87.8	Confident	75.3	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-64.4	-39.6	178.8	-71.4	170.6	0	0	0	112.1	M125 L155 Y156 Y159 L206 D207 S213 A214	M125-L210 HydrophobicContact CG-CD2 4.22Å; L155-L210 HydrophobicContact CG-CD1 4.36Å; Y156-L210 HydrophobicContact CD1-CD1 4.19Å; Y156-L210 HydrophobicContact CD1-CD2 4.38Å; Y156-L210 HydrophobicContact CE1-CD1 4.1Å; Y156-L210 HydrophobicContact CE1-CD2 3.82Å; Y159-L210 HydrophobicContact CD1-CB 4.09Å; Y159-L210 HydrophobicContact CD2-CB 4.19Å; Y159-L210 HydrophobicContact CD2-CD1 3.46Å; Y159-L210 VanDerWaalsContact CD2-CD1 3.46Å; Y159-L210 HydrophobicContact CD2-CG 4.36Å; Y159-L210 HydrophobicContact CE1-CB 3.97Å; Y159-L210 HydrophobicContact CE2-CB 4.04Å; Y159-L210 HydrophobicContact CE2-CD1 3.75Å; Y159-L210 HydrophobicContact CG-CB 4.21Å; Y159-L210 HydrophobicContact CG-CD1 3.98Å; L206-L210 WeakPolarHBondContact O-CG 3.26Å; L206-L210 PolarHBondContact O-N 3.03Å; D207-L210 PolarHBondContact O-N 2.65Å; L210-S213 PolarHBondContact O-N 2.96Å; L210-A214 PolarHBondContact O-N 3.41Å
211	K	86.3	Confident	72.3	Confident	96 Å²	96	60.1 Å²	60.1	42%	0.417	38%	0.379	S	S	.	.	H	α-helix	trans	-63.6	-42.3	174.9	-72.9	171.3	-169.5	162.8	0	112.6	Y159 D207 N208 M209 A214	Y159-K211 WeakPolarHBondContact OH-CE 3.46Å; Y159-K211 WeakPolarHBondContact OH-CG 3.43Å; D207-K211 VanDerWaalsContact O-CG 3.29Å; D207-K211 WeakPolarHBondContact O-CG 3.35Å; D207-K211 PolarHBondContact O-N 2.82Å; D207-K211 IonicContact OD1-NZ 3.3Å; D207-K211 WeakPolarHBondContact OD2-CE 3.31Å; D207-K211 IonicContact OD2-NZ 3.63Å; D207-K211 PolarHBondContact OD2-NZ 3.3Å; N208-K211 PolarHBondContact O-N 3Å; M209-K211 PolarHBondContact O-N 3.48Å; K211-A214 WeakPolarHBondContact O-CB 3.32Å; K211-A214 PolarHBondContact O-N 3.03Å
212	N	82	Confident	69.4	Low	99 Å²	99	63.7 Å²	63.7	53%	0.529	41%	0.405	S	S	.	.	H	α-helix	trans	-65.4	-40.7	178.4	-69.8	-14.5	0	0	0	111.3	N208 M209 A214 L215	N208-N212 VanDerWaalsContact O-CG 3.26Å; N208-N212 PolarHBondContact O-N 2.85Å; N208-N212 PolarHBondContact O-ND2 2.88Å; M209-N212 PolarHBondContact O-N 2.9Å; N212-A214 PolarHBondContact O-N 3.1Å; N212-L215 WeakPolarHBondContact O-CB 3.36Å; N212-L215 PolarHBondContact O-N 2.76Å
213	S	73.8	Confident	66.3	Low	18 Å²	18	70.8 Å²	70.8	13%	0.126	44%	0.443	C	S	.	.	H	α-helix	trans	-61	-28.6	175.2	175.3	0	0	0	0	113.5	M209 L210 L215	M209-S213 PolarHBondContact O-N 3.4Å; L210-S213 PolarHBondContact O-N 2.96Å; S213-L215 VanDerWaalsContact C-N 3.31Å
214	A	61.4	Low	63.4	Low	37 Å²	37	81.3 Å²	81.3	31%	0.306	48%	0.481	S	S	.	.	H	α-helix	trans	-70.5	-28.1	176.3	0	0	0	0	0	112.8	M125 L210 K211 N212 S218	M125-A214 HydrophobicContact SD-CB 3.86Å; L210-A214 PolarHBondContact O-N 3.41Å; K211-A214 WeakPolarHBondContact O-CB 3.32Å; K211-A214 PolarHBondContact O-N 3.03Å; N212-A214 PolarHBondContact O-N 3.1Å; A214-S218 PolarHBondContact O-OG 2.78Å
215	L	56	Low	60.3	Low	115 Å²	115	84.9 Å²	84.9	60%	0.602	49%	0.494	S	S	*	.	H	α-helix	trans	-73.2	-37.4	179.1	-65.2	169.8	0	0	0	111.5	N212 S213 I217 S218	N212-L215 WeakPolarHBondContact O-CB 3.36Å; N212-L215 PolarHBondContact O-N 2.76Å; S213-L215 VanDerWaalsContact C-N 3.31Å; L215-I217 VanDerWaalsContact C-N 3.35Å; L215-I217 PolarHBondContact O-N 3.38Å; L215-S218 WeakPolarHBondContact O-CB 3.42Å; L215-S218 PolarHBondContact O-N 2.86Å; L215-S218 VanDerWaalsContact O-N 3.12Å
216	D	51.7	Low	57.4	Low	118 Å²	118	90.8 Å²	90.8	63%	0.631	53%	0.528	S	S	*	.	H	α-helix	trans	-67.6	-32.6	-179.2	-67.5	-26.7	0	0	0	113.2	S218 A219	D216-S218 PolarHBondContact O-N 2.95Å; D216-A219 PolarHBondContact O-N 2.99Å
217	I	51.2	Low	54.3	Low	105 Å²	105	98.4 Å²	98.4	54%	0.538	56%	0.563	S	S	.	*	H	α-helix	trans	-65	-25.5	175.8	-62.5	169.8	0	0	0	111.2	L215	L215-I217 VanDerWaalsContact C-N 3.35Å; L215-I217 PolarHBondContact O-N 3.38Å
218	S	42.4	Very low	51.4	Low	104 Å²	104	105.8 Å²	105.8	73%	0.727	60%	0.597	S	S	*	*	H	α-helix	trans	-84.5	-17.3	-179	-52.2	0	0	0	0	113.3	A214 L215 D216	A214-S218 PolarHBondContact O-OG 2.78Å; L215-S218 WeakPolarHBondContact O-CB 3.42Å; L215-S218 PolarHBondContact O-N 2.86Å; L215-S218 VanDerWaalsContact O-N 3.12Å; D216-S218 PolarHBondContact O-N 2.95Å
219	A	42.6	Very low	48.4	Very low	87 Å²	87	108.9 Å²	108.9	72%	0.719	61%	0.613	S	S	*	*	H	α-helix	trans	-97.7	-21.9	-175.2	0	0	0	0	0	114.1	D216	D216-A219 PolarHBondContact O-N 2.99Å
220	S	35.1	Very low	45.3	Very low	99 Å²	99	113.1 Å²	113.1	69%	0.692	64%	0.642	S	S	*	*	S	Bend	trans	-101	86.2	178.8	-143.3	0	0	0	0	111	S222	S220-S222 PolarHBondContact O-N 2.87Å
221	G	28	Very low	42.5	Very low	86 Å²	86	123.4 Å²	123.4	89%	0.887	69%	0.687	S	S	*	*			trans	-68	85.8	177.8	0	0	0	0	0	112.9
222	S	30.1	Very low	39.5	Very low	111 Å²	111	128.4 Å²	128.4	78%	0.776	71%	0.708	S	S	*	*			trans	-140.9	116.4	161	-150.3	0	0	0	0	111.3	S220 R224	S220-S222 PolarHBondContact O-N 2.87Å; S222-R224 PolarHBondContact O-N 3.1Å
223	N	26.2	Very low	36.8	Very low	151 Å²	151	134.9 Å²	134.9	81%	0.807	73%	0.727	S	S	*	*			trans	-39	110	-178.4	-67.7	-34.3	0	0	0	115
224	R	30.6	Very low	34.4	Very low	249 Å²	249	144.5 Å²	144.5	94%	0.94	76%	0.761	S	S	*	*			trans	-128.5	92.8	144.9	-84.1	-172	175.9	176.5	-0.8	109	S222 V226	S222-R224 PolarHBondContact O-N 3.1Å; R224-V226 PolarHBondContact O-N 2.74Å
225	L	26.4	Very low	32.8	Very low	142 Å²	142	148.9 Å²	148.9	74%	0.743	79%	0.786	S	S	*	*			trans	-58.2	111.4	172.1	-70.3	159.2	0	0	0	110
226	V	30.9	Very low	31.4	Very low	144 Å²	144	148.3 Å²	148.3	87%	0.873	80%	0.798	S	S	*	*			trans	-124.5	103	134.6	178	0	0	0	0	105.3	R224	R224-V226 PolarHBondContact O-N 2.74Å
227	Q	26.4	Very low	30.2	Very low	159 Å²	159	152 Å²	152	74%	0.743	81%	0.808	S	S	*	*			trans	-71	121.7	172	-130.5	169.1	-26.4	0	0	107.5
228	E	30.8	Very low	29	Very low	191 Å²	191	155.6 Å²	155.6	89%	0.893	82%	0.823	S	S	*	*			trans	-163.7	141.9	134.4	-105.8	173.6	-158.2	0	0	110.5
229	L	28	Very low	28.3	Very low	156 Å²	156	159.5 Å²	159.5	82%	0.817	83%	0.83	S	S	*	*			trans	-83.2	163.1	-145.6	-76.4	152.9	0	0	0	115.7
230	P	24.7	Very low	27.4	Very low	109 Å²	109	165.4 Å²	165.4	71%	0.708	84%	0.839	S	S	*	*			trans	-89.5	141.4	-165.4	35.1	-32.1	0	0	0	112.8
231	F	27.4	Very low	27	Very low	216 Å²	216	167 Å²	167	95%	0.947	84%	0.844	S	S	*	*			trans	-112.8	118.3	157.4	-101.6	-87.1	0	0	0	110.8
232	K	24.1	Very low	26.9	Very low	200 Å²	200	169.4 Å²	169.4	87%	0.87	84%	0.841	S	S	*	*			trans	-72.2	135.4	173.9	-77.6	174.2	173.8	171.8	0	110.8
233	Y	25.7	Very low	26.7	Very low	236 Å²	236	170.8 Å²	170.8	93%	0.925	84%	0.84	S	S	*	*			trans	-145.5	140.1	145.6	-156.2	-99	0	0	0	112.3
234	R	23.7	Very low	26.7	Very low	219 Å²	219	172.2 Å²	172.2	83%	0.826	84%	0.842	S	S	*	*			trans	-99.7	145.4	-168.4	-150.5	173	-160.1	-178.7	5	109.6
235	P	27.1	Very low	26.6	Very low	129 Å²	129	168.2 Å²	168.2	84%	0.838	84%	0.839	S	S	*	*			trans	-83.5	150.1	-167.9	33.5	-33.7	0	0	0	112.2
236	A	26.3	Very low	26.7	Very low	103 Å²	103	170.8 Å²	170.8	85%	0.851	85%	0.845	S	S	*	*			trans	-126.9	129.8	165.4	0	0	0	0	0	110.6
237	K	26	Very low	26.6	Very low	195 Å²	195	168.3 Å²	168.3	85%	0.848	84%	0.839	S	S	*	*			trans	-70.5	167.3	-176.4	-68.5	169.3	164.4	173	0	113.2
238	Q	26.5	Very low	26.8	Very low	181 Å²	181	170.3 Å²	170.3	85%	0.846	85%	0.845	S	S	*	*			trans	105.2	114	149.9	-72.5	172.6	1.6	0	0	118.8
239	Q	27.1	Very low	26.9	Very low	187 Å²	187	173 Å²	173	87%	0.874	85%	0.847	S	S	*	*			trans	-52.2	146.5	160.3	-67	157.1	-47.4	0	0	112
240	K	24.6	Very low	27.3	Very low	210 Å²	210	170.1 Å²	170.1	91%	0.913	84%	0.836	S	S	*	*			trans	-158.9	132.9	132.5	-110.4	173.4	-174.7	-178	0	111.5
241	V	26.3	Very low	27.6	Very low	132 Å²	132	167.1 Å²	167.1	80%	0.8	83%	0.825	S	S	*	*			trans	-63.4	134.7	177	174.4	0	0	0	0	110.7
242	V	25.7	Very low	28.3	Very low	137 Å²	137	159.3 Å²	159.3	83%	0.83	81%	0.806	S	S	*	*			trans	-146	110.7	156.4	-176.3	0	0	0	0	111.2
243	N	26.3	Very low	29.5	Very low	141 Å²	141	157.1 Å²	157.1	75%	0.754	80%	0.803	S	S	*	*			trans	23.8	116.4	149.3	-75.1	-11.2	0	0	0	121.8	N245	N243-N245 PolarHBondContact O-N 2.91Å
244	E	26.8	Very low	30.6	Very low	181 Å²	181	154.2 Å²	154.2	85%	0.846	80%	0.795	S	S	*	*			trans	-61.3	116.4	155.3	-63.3	178.7	152.4	0	0	111.4	K246	E244-K246 PolarHBondContact O-N 3.28Å
245	N	28.9	Very low	31.9	Very low	164 Å²	164	149 Å²	149	88%	0.877	78%	0.783	S	S	*	*			trans	-85.1	108	156.2	-82.7	-18.6	0	0	0	108.6	N243 A247	N243-N245 PolarHBondContact O-N 2.91Å; N245-A247 PolarHBondContact O-N 2.76Å; N245-A247 VanDerWaalsContact O-N 3.11Å
246	K	26.8	Very low	33	Very low	197 Å²	197	147 Å²	147	86%	0.857	77%	0.768	S	S	*	*			trans	-53.2	104.1	174.9	-72.7	171.5	173.8	172.5	0	111.6	E244	E244-K246 PolarHBondContact O-N 3.28Å
247	A	29	Very low	33.9	Very low	92 Å²	92	146.1 Å²	146.1	76%	0.76	74%	0.743	S	S	*	*			trans	-98	108.1	154	0	0	0	0	0	107.9	N245 R249	N245-A247 PolarHBondContact O-N 2.76Å; N245-A247 VanDerWaalsContact O-N 3.11Å; A247-R249 PolarHBondContact O-N 2.98Å
248	K	30.9	Very low	35.5	Very low	200 Å²	200	141.9 Å²	141.9	87%	0.87	73%	0.733	S	S	*	*			trans	-51.8	107.2	177.9	-78.2	173	173.8	173.3	0	110	V250	K248-V250 PolarHBondContact O-N 3.4Å
249	R	32.4	Very low	36.8	Very low	248 Å²	248	136.5 Å²	136.5	94%	0.936	71%	0.71	S	S	*	*			trans	-70.2	108	159.5	-79.2	-175.2	176	177.2	-1	107.5	A247 G251	A247-R249 PolarHBondContact O-N 2.98Å; R249-G251 PolarHBondContact O-N 3.48Å
250	V	36.2	Very low	38.5	Very low	95 Å²	95	134.6 Å²	134.6	58%	0.576	70%	0.701	S	S	*	*			trans	-62.6	119.8	168.8	175.5	0	0	0	0	107	K248 K254	K248-V250 PolarHBondContact O-N 3.4Å; V250-K254 HydrophobicContact CG1-CB 3.66Å; V250-K254 HydrophobicContact CG1-CD 4.14Å; V250-K254 HydrophobicContact CG1-CG 4.39Å
251	G	32.3	Very low	40.6	Very low	47 Å²	47	132.7 Å²	132.7	49%	0.485	69%	0.692	S	S	.	*			trans	-59.6	144.6	176.8	0	0	0	0	0	111.2	R249 D253 K254	R249-G251 PolarHBondContact O-N 3.48Å; G251-D253 PolarHBondContact O-N 3.42Å; G251-K254 PolarHBondContact O-N 3.47Å
252	G	42.7	Very low	42.2	Very low	52 Å²	52	131.5 Å²	131.5	54%	0.536	68%	0.678	S	S	.	*	G	3₁₀ helix	trans	-54	-20.6	-175.9	0	0	0	0	0	114.9	K254 I255	G252-K254 PolarHBondContact O-N 3.09Å; G252-I255 PolarHBondContact O-N 3.29Å
253	D	48.1	Very low	43.7	Very low	153 Å²	153	134.6 Å²	134.6	82%	0.818	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-68.1	-15.9	176.8	-69	-12.6	0	0	0	114.3	G251	G251-D253 PolarHBondContact O-N 3.42Å
254	K	49.2	Very low	45	Very low	176 Å²	176	133.8 Å²	133.8	77%	0.765	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-94.2	4	179.6	-68.1	-170.8	175.9	-171.4	0	114.4	V250 G251 G252	V250-K254 HydrophobicContact CG1-CB 3.66Å; V250-K254 HydrophobicContact CG1-CD 4.14Å; V250-K254 HydrophobicContact CG1-CG 4.39Å; G251-K254 PolarHBondContact O-N 3.47Å; G252-K254 PolarHBondContact O-N 3.09Å
255	I	50.4	Low	46.3	Very low	109 Å²	109	128.6 Å²	128.6	56%	0.559	64%	0.642	S	S	*	*	S	Bend	trans	-97.3	-9.1	176.7	-53.7	173.5	0	0	0	110.5	G252 I265	G252-I255 PolarHBondContact O-N 3.29Å; I255-I265 WeakPolarHBondContact O-CD1 3.21Å
256	V	51.4	Low	47.3	Very low	87 Å²	87	126.2 Å²	126.2	53%	0.527	63%	0.625	S	S	.	*	S	Bend	trans	-98.3	118.8	-178.2	-175.1	0	0	0	0	109.5	V258	V256-V258 PolarHBondContact O-N 2.99Å
257	R	45.5	Very low	48.5	Very low	84 Å²	84	121.3 Å²	121.3	32%	0.317	61%	0.606	S	S	.	*			trans	-74.3	114.7	176.5	-160.2	-179.9	171.2	120.1	-18.1	109.1	D259 H260 E262 R263 K264 R589	R257-D259 WeakPolarHBondContact CG-O 3.49Å; R257-D259 PolarHBondContact NE-O 3.39Å; R257-H260 PolarHBondContact NH2-O 3.02Å; R257-E262 PolarHBondContact NH1-O 3.26Å; R257-E262 VanDerWaalsContact NH1-O 3.09Å; R257-E262 PolarHBondContact NH2-O 2.85Å; R257-R263 PolarHBondContact NH1-O 3.45Å; R257-K264 VanDerWaalsContact NH1-CA 3.26Å; R257-R589 PolarHBondContact O-NH2 3.34Å
258	V	59.3	Low	49.2	Very low	106 Å²	106	124.3 Å²	124.3	64%	0.642	60%	0.602	S	S	*	*			trans	-90.1	-23.3	-178.5	-168.8	0	0	0	0	111.1	V256 R589	V256-V258 PolarHBondContact O-N 2.99Å; V258-R589 PolarHBondContact O-NH2 3.17Å
259	D	52.8	Low	49.9	Very low	68 Å²	68	120.1 Å²	120.1	36%	0.364	59%	0.588	S	S	.	*			trans	-133.5	137.2	179.8	-167.9	-7.6	0	0	0	112.6	R257 K261 E262	R257-D259 WeakPolarHBondContact CG-O 3.49Å; R257-D259 PolarHBondContact NE-O 3.39Å; D259-K261 PolarHBondContact O-N 3.35Å; D259-K261 PolarHBondContact OD1-N 2.89Å; D259-E262 HydrophobicContact CB-CG 4.2Å; D259-E262 PolarHBondContact O-N 3.44Å
260	H	62.7	Low	50.4	Low	148 Å²	148	115 Å²	115	69%	0.685	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-25.3	175.4	66.7	-60.1	0	0	0	113.6	R257	R257-H260 PolarHBondContact NH2-O 3.02Å
261	K	68.1	Low	50.7	Low	169 Å²	169	118 Å²	118	74%	0.735	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-11.7	179.7	-65.2	-179.3	-178.9	176.6	0	115.1	D259	D259-K261 PolarHBondContact O-N 3.35Å; D259-K261 PolarHBondContact OD1-N 2.89Å
262	E	60.4	Low	50.9	Low	107 Å²	107	121.9 Å²	121.9	50%	0.5	59%	0.593	S	S	.	*	S	Bend	trans	-74.2	163.4	-179.3	-72.7	-179.7	151	0	0	112.4	R257 D259	R257-E262 PolarHBondContact NH1-O 3.26Å; R257-E262 VanDerWaalsContact NH1-O 3.09Å; R257-E262 PolarHBondContact NH2-O 2.85Å; D259-E262 HydrophobicContact CB-CG 4.2Å; D259-E262 PolarHBondContact O-N 3.44Å
263	R	57.1	Low	50.3	Low	203 Å²	203	126.8 Å²	126.8	77%	0.766	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-73.3	151.8	-177.3	-66	-174.6	-177.2	-173.5	0.3	112.1	R257	R257-R263 PolarHBondContact NH1-O 3.45Å
264	K	53.5	Low	49.3	Very low	124 Å²	124	124.1 Å²	124.1	54%	0.539	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-62.8	140.1	179.6	-75.7	-170.4	178.1	-177.1	0	111.2	R257 E266 E267	R257-K264 VanDerWaalsContact NH1-CA 3.26Å; K264-E266 HydrophobicContact CB-CB 4.34Å; K264-E266 WeakPolarHBondContact CD-OE2 3.45Å; K264-E266 IonicContact NZ-OE2 3.53Å; K264-E266 PolarHBondContact O-N 3.32Å; K264-E266 VanDerWaalsContact O-N 3.15Å; K264-E267 PolarHBondContact O-N 3.49Å
265	I	54.7	Low	48.2	Very low	72 Å²	72	125.2 Å²	125.2	37%	0.369	60%	0.602	S	S	.	*	H	α-helix	trans	-61.6	-21.8	178.7	-57.1	161.3	0	0	0	111	I255 E267 F268 L269	I255-I265 WeakPolarHBondContact O-CD1 3.21Å; I265-E267 VanDerWaalsContact C-N 3.33Å; I265-E267 PolarHBondContact O-N 2.86Å; I265-F268 WeakPolarHBondContact O-CB 3.37Å; I265-F268 PolarHBondContact O-N 3.18Å; I265-L269 HydrophobicContact CG2-CD1 4.09Å; I265-L269 PolarHBondContact O-N 2.8Å
266	E	50.7	Low	47.1	Very low	113 Å²	113	131.4 Å²	131.4	53%	0.528	62%	0.618	S	S	.	*	H	α-helix	trans	-53	-43.4	174.4	-69.2	163.4	-176.7	0	0	112.2	K264 F268 L269 E270	K264-E266 HydrophobicContact CB-CB 4.34Å; K264-E266 WeakPolarHBondContact CD-OE2 3.45Å; K264-E266 IonicContact NZ-OE2 3.53Å; K264-E266 PolarHBondContact O-N 3.32Å; K264-E266 VanDerWaalsContact O-N 3.15Å; E266-F268 VanDerWaalsContact C-N 3.32Å; E266-F268 PolarHBondContact O-N 2.9Å; E266-L269 PolarHBondContact O-N 3.34Å; E266-E270 WeakPolarHBondContact O-CG 3.47Å; E266-E270 PolarHBondContact O-N 3.36Å; E266-E270 VanDerWaalsContact O-N 3.1Å
267	E	51.7	Low	45.9	Very low	95 Å²	95	133 Å²	133	44%	0.444	63%	0.63	S	S	.	*	H	α-helix	trans	-69.2	-27.6	177.9	-76.4	-177.5	154.8	0	0	113.1	K264 I265 Q271	K264-E267 PolarHBondContact O-N 3.49Å; I265-E267 VanDerWaalsContact C-N 3.33Å; I265-E267 PolarHBondContact O-N 2.86Å; E267-Q271 WeakPolarHBondContact O-CG 3.12Å; E267-Q271 PolarHBondContact O-N 3.25Å
268	F	42.5	Very low	45	Very low	154 Å²	154	134.9 Å²	134.9	68%	0.675	65%	0.651	S	S	*	*	H	α-helix	trans	-76.1	-24.6	176.9	-102.3	-88.1	0	0	0	112.8	I265 E266 N272	I265-F268 WeakPolarHBondContact O-CB 3.37Å; I265-F268 PolarHBondContact O-N 3.18Å; E266-F268 VanDerWaalsContact C-N 3.32Å; E266-F268 PolarHBondContact O-N 2.9Å; F268-N272 PolarHBondContact O-ND2 3.23Å
269	L	45.6	Very low	43.5	Very low	113 Å²	113	137.6 Å²	137.6	59%	0.592	66%	0.657	S	S	*	*	H	α-helix	trans	-84.5	-37.9	176.5	-86.3	150.7	0	0	0	111.7	I265 E266	I265-L269 HydrophobicContact CG2-CD1 4.09Å; I265-L269 PolarHBondContact O-N 2.8Å; E266-L269 PolarHBondContact O-N 3.34Å
270	E	44.7	Very low	42.3	Very low	141 Å²	141	141.1 Å²	141.1	66%	0.659	67%	0.671	S	S	*	*	H	α-helix	trans	-70	-33.8	-179.4	-73	177.9	176.3	0	0	113.3	E266 N272 M273	E266-E270 WeakPolarHBondContact O-CG 3.47Å; E266-E270 PolarHBondContact O-N 3.36Å; E266-E270 VanDerWaalsContact O-N 3.1Å; E270-N272 VanDerWaalsContact C-N 3.26Å; E270-N272 PolarHBondContact O-N 3.36Å; E270-M273 PolarHBondContact O-N 3.07Å
271	Q	41.9	Very low	40.6	Very low	157 Å²	157	139.4 Å²	139.4	73%	0.734	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-13.1	-179.1	-75.8	-177.2	-6.3	0	0	115	E267	E267-Q271 WeakPolarHBondContact O-CG 3.12Å; E267-Q271 PolarHBondContact O-N 3.25Å
272	N	35.8	Very low	38.7	Very low	129 Å²	129	140.1 Å²	140.1	69%	0.69	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	3	178.3	-75.2	-48.8	0	0	0	114	F268 E270	F268-N272 PolarHBondContact O-ND2 3.23Å; E270-N272 VanDerWaalsContact C-N 3.26Å; E270-N272 PolarHBondContact O-N 3.36Å
273	M	30.4	Very low	37.1	Very low	155 Å²	155	138.4 Å²	138.4	76%	0.764	66%	0.66	S	S	*	*			trans	-90.9	12.1	-177.6	-70	-145	64.4	0	0	114.9	E270	E270-M273 PolarHBondContact O-N 3.07Å
274	S	27.2	Very low	35.7	Very low	97 Å²	97	134.4 Å²	134.4	68%	0.678	65%	0.645	S	S	*	*	S	Bend	trans	-107.6	119.4	-179.2	-57.4	0	0	0	0	111.6
275	K	26.9	Very low	34.7	Very low	199 Å²	199	130.7 Å²	130.7	87%	0.865	63%	0.63	S	S	*	*			trans	88.8	85.1	174.9	-57.7	177.1	176.4	177.8	0	116.4
276	W	26.1	Very low	33.3	Very low	239 Å²	239	131.7 Å²	131.7	91%	0.905	64%	0.641	S	S	*	*			trans	-127.3	141.7	148.1	-76	74	0	0	0	110.1
277	P	27.4	Very low	32.4	Very low	121 Å²	121	130.9 Å²	130.9	79%	0.786	64%	0.641	S	S	*	*			trans	-72.8	148.7	-168.3	-12.4	29.2	0	0	0	113.4
278	T	26.1	Very low	31.6	Very low	123 Å²	123	127.8 Å²	127.8	76%	0.755	63%	0.628	S	S	*	*			trans	-49.4	151.8	175	-40.1	0	0	0	0	114.5
279	E	27.2	Very low	30.9	Very low	163 Å²	163	126.7 Å²	126.7	76%	0.762	63%	0.625	S	S	*	*	S	Bend	trans	2.8	123.2	162.6	-68.3	164.7	140.8	0	0	117.8
280	E	27.9	Very low	30.2	Very low	142 Å²	142	123.4 Å²	123.4	66%	0.664	61%	0.61	S	S	*	*			trans	157.2	-9.5	138.1	-88.7	-177.7	167.5	0	0	116
281	L	26.9	Very low	29.6	Very low	111 Å²	111	124.9 Å²	124.9	58%	0.581	61%	0.61	S	S	*	*	S	Bend	trans	-111.9	-3.7	-156.1	-126.5	93	0	0	0	122.6
282	Y	28.3	Very low	28.9	Very low	184 Å²	184	120.3 Å²	120.3	72%	0.722	60%	0.596	S	S	*	*			trans	-146.7	73.2	-178.2	-64.5	-78.4	0	0	0	116.1
283	L	26.7	Very low	28.5	Very low	72 Å²	72	119.5 Å²	119.5	38%	0.377	60%	0.6	S	S	.	*			trans	-96.8	97.4	150.6	-82	163	0	0	0	107.9	V290	L283-V290 HydrophobicContact CD1-CB 4.48Å; L283-V290 WeakPolarHBondContact CD1-O 3.34Å
284	R	27.3	Very low	28.5	Very low	119 Å²	119	117.8 Å²	117.8	45%	0.449	59%	0.594	S	S	.	*			trans	-144.7	95	162.1	-76.8	-154.4	178.1	109.9	0.3	112.2	H289 L326	R284-H289 PolarHBondContact NE-NE2 3.11Å; R284-H289 PolarHBondContact NH2-CE1 3.34Å; R284-H289 PolarHBondContact NH2-NE2 3.26Å; R284-L326 VanDerWaalsContact CZ-CD1 3.47Å; R284-L326 VanDerWaalsContact CZ-CD2 3.43Å
285	L	32.1	Very low	28.6	Very low	45 Å²	45	117.2 Å²	117.2	24%	0.236	59%	0.59	C	S	.	*				-49.5	126.5	123.3	-92.9	159.9	0	0	0	107.9	D287 M399 S561	L285-D287 PolarHBondContact O-N 2.67Å; L285-M399 HydrophobicContact CD1-CE 4.18Å; L285-S561 VanDerWaalsContact CD2-CA 3.42Å
286	P	26.1	Very low	28.6	Very low	93 Å²	93	115.5 Å²	115.5	60%	0.604	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.1	119.7	150.1	-2	17.1	0	0	0	104.2
287	D	32.2	Very low	28.6	Very low	97 Å²	97	108.7 Å²	108.7	52%	0.519	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	98.4	22.3	173.7	-41.4	-32.7	0	0	0	119.3	L285 F329	L285-D287 PolarHBondContact O-N 2.67Å; D287-F329 HydrophobicContact CB-CE2 4.38Å
288	T	33.9	Very low	28.5	Very low	30 Å²	30	110.2 Å²	110.2	18%	0.184	59%	0.585	C	S	.	*			trans	-166.3	113.7	155.3	21.3	0	0	0	0	112.6	V290 M399	T288-V290 PolarHBondContact O-N 3.18Å; T288-M399 WeakPolarHBondContact CG2-O 3.19Å
289	H	27.9	Very low	28.7	Very low	130 Å²	130	110.7 Å²	110.7	60%	0.602	59%	0.588	S	S	*	*			trans	-73.9	103.1	163.1	-90.7	-82.1	0	0	0	108.4	R284	R284-H289 PolarHBondContact NE-NE2 3.11Å; R284-H289 PolarHBondContact NH2-CE1 3.34Å; R284-H289 PolarHBondContact NH2-NE2 3.26Å
290	V	31.3	Very low	28.7	Very low	44 Å²	44	111 Å²	111	27%	0.267	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-84.4	116.4	159.6	-178.8	0	0	0	0	106.1	L283 T288 S292 M399	L283-V290 HydrophobicContact CD1-CB 4.48Å; L283-V290 WeakPolarHBondContact CD1-O 3.34Å; T288-V290 PolarHBondContact O-N 3.18Å; V290-S292 PolarHBondContact O-N 2.87Å; V290-M399 HydrophobicContact CG2-CE 3.46Å; V290-M399 VanDerWaalsContact CG2-CE 3.46Å; V290-M399 HydrophobicContact CG2-SD 4.28Å
291	Y	31.6	Very low	28.9	Very low	173 Å²	173	112 Å²	112	68%	0.678	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-60.4	122.3	176	-79.8	-96	0	0	0	109.5
292	S	27.2	Very low	29	Very low	61 Å²	61	110.1 Å²	110.1	43%	0.427	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-63	141.7	159.5	-78.9	0	0	0	0	109.1	V290 D294	V290-S292 PolarHBondContact O-N 2.87Å; S292-D294 PolarHBondContact O-N 3.37Å
293	S	28.6	Very low	29.1	Very low	111 Å²	111	108.7 Å²	108.7	78%	0.776	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	13.8	-168.5	-50.1	0	0	0	0	116.3
294	D	28.9	Very low	29.3	Very low	119 Å²	119	112.1 Å²	112.1	64%	0.636	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	12.5	-171	-66.8	-39.4	0	0	0	115.2	S292	S292-D294 PolarHBondContact O-N 3.37Å
295	S	29.8	Very low	29.4	Very low	86 Å²	86	110.8 Å²	110.8	60%	0.601	64%	0.635	S	S	*	*	S	Bend	trans	-112.4	21.6	179.7	62.3	0	0	0	0	115.9
296	L	27.2	Very low	29.5	Very low	163 Å²	163	115.7 Å²	115.7	85%	0.853	66%	0.661	S	S	*	*			trans	-124.6	65.7	169.3	-73.4	168.8	0	0	0	110.5	L298	L296-L298 PolarHBondContact O-N 3.12Å; L296-L298 VanDerWaalsContact O-N 3.17Å
297	A	27.1	Very low	29.7	Very low	95 Å²	95	119 Å²	119	79%	0.785	67%	0.673	S	S	*	*			trans	-65	110.9	158.7	0	0	0	0	0	108.6	T299	A297-T299 PolarHBondContact O-N 3.38Å
298	L	25	Very low	29.9	Very low	153 Å²	153	119 Å²	119	80%	0.801	68%	0.679	S	S	*	*			trans	-43.2	121.2	160.5	-73.6	140.9	0	0	0	110.9	L296	L296-L298 PolarHBondContact O-N 3.12Å; L296-L298 VanDerWaalsContact O-N 3.17Å
299	T	29.1	Very low	29.7	Very low	133 Å²	133	122.2 Å²	122.2	82%	0.816	70%	0.702	S	S	*	*			trans	-122.8	98.6	147.3	54.3	0	0	0	0	107.7	A297	A297-T299 PolarHBondContact O-N 3.38Å
300	K	27.8	Very low	29.9	Very low	169 Å²	169	123.1 Å²	123.1	74%	0.735	72%	0.717	S	S	*	*			trans	-66	156	153.3	-77.8	177.9	171.7	178	0	108.1
301	D	31.6	Very low	29.8	Very low	164 Å²	164	126.2 Å²	126.2	88%	0.877	74%	0.741	S	S	*	*			trans	82.7	127.7	173.1	-42.2	-33.1	0	0	0	113.3
302	G	29.4	Very low	29.8	Very low	71 Å²	71	122.9 Å²	122.9	73%	0.732	75%	0.749	S	S	*	*			cis	176.3	138.6	2.1	0	0	0	0	0	108.1
303	I	30.5	Very low	30	Very low	154 Å²	154	123.4 Å²	123.4	79%	0.79	76%	0.763	S	S	*	*			trans	34	119.2	142.4	-54.8	176.1	0	0	0	119.6
304	N	30.1	Very low	30.1	Very low	144 Å²	144	125.8 Å²	125.8	77%	0.77	77%	0.766	S	S	*	*			trans	75.4	114.4	143.4	-69.5	-7.5	0	0	0	123.8
305	S	29.6	Very low	30.2	Very low	92 Å²	92	125.4 Å²	125.4	64%	0.643	77%	0.772	S	S	*	*				60.8	128.6	121.7	73.8	0	0	0	0	122.8
306	N	33.9	Very low	30.2	Very low	148 Å²	148	126 Å²	126	79%	0.791	78%	0.783	S	S	*	*			trans	92.9	97.3	145.4	-59.1	-19.2	0	0	0	120
307	L	31.6	Very low	30.2	Very low	163 Å²	163	124 Å²	124	85%	0.853	78%	0.783	S	S	*	*				35.8	159	117.7	-112.6	81.4	0	0	0	120.8
308	P	36.3	Very low	30.4	Very low	97 Å²	97	124.2 Å²	124.2	63%	0.63	78%	0.784	S	S	*	*				-138.9	-174.3	-58	36.3	-16.2	0	0	0	114.2
309	S	29.4	Very low	30.7	Very low	96 Å²	96	122.9 Å²	122.9	67%	0.671	79%	0.788	S	S	*	*			trans	66.4	117	148.7	62.5	0	0	0	0	119.6
310	T	31.1	Very low	31	Very low	149 Å²	149	126.1 Å²	126.1	91%	0.914	79%	0.79	S	S	*	*				-176	157.7	111.5	20.1	0	0	0	0	112.5
311	S	30.8	Very low	31.1	Very low	110 Å²	110	124.1 Å²	124.1	77%	0.769	80%	0.795	S	S	*	*			trans	-80.2	162.8	-162.4	49.3	0	0	0	0	117.6
312	A	31.1	Very low	30.9	Very low	103 Å²	103	124.7 Å²	124.7	85%	0.851	80%	0.797	S	S	*	*			trans	113.3	130.6	137.2	0	0	0	0	0	116.9
313	G	31.9	Very low	31	Very low	71 Å²	71	132.2 Å²	132.2	73%	0.732	80%	0.803	S	S	*	*			trans	140.5	60.4	159.1	0	0	0	0	0	118.9
314	I	30.8	Very low	31	Very low	162 Å²	162	136.2 Å²	136.2	83%	0.831	81%	0.808	S	S	*	*			trans	43	109.9	130.9	-58.5	171.7	0	0	0	120.1
315	S	29.6	Very low	31	Very low	110 Å²	110	135 Å²	135	77%	0.769	81%	0.811	S	S	*	*			trans	57.3	120.5	137.8	75	0	0	0	0	123.1
316	A	30.8	Very low	31.1	Very low	99 Å²	99	135.4 Å²	135.4	82%	0.818	81%	0.805	S	S	*	*				-170.5	124.2	114.1	0	0	0	0	0	112.7
317	S	27.4	Very low	31	Very low	122 Å²	122	134.3 Å²	134.3	85%	0.853	81%	0.806	S	S	*	*			trans	-14.9	123	165.6	55.3	0	0	0	0	121
318	A	31	Very low	31.1	Very low	98 Å²	98	130.3 Å²	130.3	81%	0.81	80%	0.797	S	S	*	*			trans	-161.7	102.1	140.5	0	0	0	0	0	110.3	K320	A318-K320 PolarHBondContact O-N 3.4Å
319	S	31	Very low	31.3	Very low	126 Å²	126	130.9 Å²	130.9	88%	0.881	79%	0.79	S	S	*	*			trans	-78.5	115	-177.8	36.8	0	0	0	0	112.3
320	K	35	Very low	32.2	Very low	201 Å²	201	135.2 Å²	135.2	87%	0.874	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-79.3	137.1	168.7	-71.7	176.2	177	176.6	0	110.4	A318	A318-K320 PolarHBondContact O-N 3.4Å
321	P	30.2	Very low	33.5	Very low	127 Å²	127	129.4 Å²	129.4	83%	0.825	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-79	137.2	178.4	31	-31	0	0	0	111.9
322	L	28.1	Very low	35.5	Very low	176 Å²	176	131.9 Å²	131.9	92%	0.921	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-67.5	119.8	-175.6	-145.1	73.9	0	0	0	111.6	R324	L322-R324 PolarHBondContact O-N 3.09Å
323	R	31.3	Very low	37.7	Very low	229 Å²	229	133.1 Å²	133.1	86%	0.864	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-66.2	123.1	172	-85.9	179.8	171.8	-178.8	-3	110.3
324	R	29.5	Very low	39.9	Very low	237 Å²	237	131.3 Å²	131.3	89%	0.894	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-70.6	122.7	163.9	-83	177	171.6	161.8	-3	109.6	L322	L322-R324 PolarHBondContact O-N 3.09Å
325	S	30.7	Very low	42.3	Very low	120 Å²	120	129.7 Å²	129.7	84%	0.839	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-74	147.6	172.7	47.3	0	0	0	0	111.7
326	L	31.1	Very low	45.1	Very low	99 Å²	99	127 Å²	127	52%	0.518	69%	0.691	S	S	.	*	P	Polyproline II helix	trans	-84.4	161.5	176.8	-84	96.9	0	0	0	112.5	R284	R284-L326 VanDerWaalsContact CZ-CD1 3.47Å; R284-L326 VanDerWaalsContact CZ-CD2 3.43Å
327	P	32.3	Very low	48	Very low	125 Å²	125	126 Å²	126	81%	0.812	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-57.5	137.4	-179	-18.2	30.6	0	0	0	111.7
328	A	34.1	Very low	51.1	Low	80 Å²	80	120.7 Å²	120.7	66%	0.661	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-69.7	133.9	-177.5	0	0	0	0	0	112.3	H330	A328-H330 PolarHBondContact O-CE1 3.13Å; A328-H330 PolarHBondContact O-ND1 2.84Å
329	F	40.5	Very low	54	Low	108 Å²	108	116.1 Å²	116.1	47%	0.474	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-66.3	130.8	170.9	177.5	-104.5	0	0	0	110	D287 G331	D287-F329 HydrophobicContact CB-CE2 4.38Å; F329-G331 WeakPolarHBondContact CD1-O 3.45Å; F329-G331 VanDerWaalsContact CE1-O 3.25Å; F329-G331 WeakPolarHBondContact CE1-O 3.31Å
330	H	47.6	Very low	56.9	Low	188 Å²	188	113.7 Å²	113.7	87%	0.87	58%	0.575	S	S	*	*			trans	-100.5	7.4	-178.1	-71.5	73.8	0	0	0	113.6	A328	A328-H330 PolarHBondContact O-CE1 3.13Å; A328-H330 PolarHBondContact O-ND1 2.84Å
331	G	59.8	Low	59.7	Low	27 Å²	27	110.8 Å²	110.8	28%	0.278	56%	0.559	S	S	.	*	S	Bend	trans	-87.5	163.5	176.3	0	0	0	0	0	113.2	F329 H333 N403	F329-G331 WeakPolarHBondContact CD1-O 3.45Å; F329-G331 VanDerWaalsContact CE1-O 3.25Å; F329-G331 WeakPolarHBondContact CE1-O 3.31Å; G331-H333 PolarHBondContact O-N 3.39Å; G331-N403 WeakPolarHBondContact CA-OD1 3.48Å
332	R	72.7	Confident	62.8	Low	161 Å²	161	104.7 Å²	104.7	61%	0.608	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-63.9	128.6	174.2	-63.7	-176.9	-172.3	167.1	6	109.6	I334 N403 D461	R332-I334 PolarHBondContact O-N 3.15Å; R332-N403 PolarHBondContact N-OD1 3.22Å; R332-N403 PolarHBondContact O-ND2 3.18Å; R332-N403 VanDerWaalsContact O-ND2 3.08Å; R332-D461 IonicContact CZ-OD1 3.91Å; R332-D461 IonicContact NH1-OD1 2.71Å; R332-D461 PolarHBondContact NH1-OD1 3.04Å; R332-D461 IonicContact NH1-OD2 3.12Å; R332-D461 IonicContact NH2-OD1 2.72Å
333	H	75.7	Confident	65.9	Low	130 Å²	130	98 Å²	98	60%	0.602	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-76.3	119.9	173.9	-161.1	-86	0	0	0	109.6	G331	G331-H333 PolarHBondContact O-N 3.39Å
334	I	79.1	Confident	68.8	Low	32 Å²	32	93 Å²	93	16%	0.164	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-91.4	117.8	-175.1	-47.9	154.4	0	0	0	108.6	R332 L336 V339 Q340 F401	R332-I334 PolarHBondContact O-N 3.15Å; I334-L336 HydrophobicContact CG2-CB 4.01Å; I334-L336 HydrophobicContact CG2-CD1 4.31Å; I334-L336 HydrophobicContact CG2-CG 4.08Å; I334-V339 HydrophobicContact CG2-CB 4.29Å; I334-V339 HydrophobicContact CG2-CG1 4.33Å; I334-V339 HydrophobicContact CG2-CG2 4.42Å; I334-Q340 PolarHBondContact O-NE2 2.96Å; I334-F401 HydrophobicContact CD1-CB 3.83Å; I334-F401 HydrophobicContact CD1-CD1 3.96Å; I334-F401 HydrophobicContact CD1-CG 4.36Å; I334-F401 WeakPolarHBondContact CD1-O 3.29Å; I334-F401 HydrophobicContact CG1-CD1 4.41Å; I334-F401 HydrophobicContact CG2-CD1 4.13Å; I334-F401 HydrophobicContact CG2-CE1 4.44Å
335	L	81.2	Confident	71.9	Confident	129 Å²	129	84.1 Å²	84.1	68%	0.675	44%	0.438	S	S	*	.			trans	-101	3.6	179.6	-63.2	173.7	0	0	0	113.1	T337	L335-T337 PolarHBondContact O-N 3.46Å
336	L	88	Confident	74.9	Confident	53 Å²	53	78.8 Å²	78.8	28%	0.277	40%	0.4	S	S	.	.			trans	-64	118.9	179.4	-64.1	-179.8	0	0	0	110.9	I334 A338 V339 Q340 F401 Y509	I334-L336 HydrophobicContact CG2-CB 4.01Å; I334-L336 HydrophobicContact CG2-CD1 4.31Å; I334-L336 HydrophobicContact CG2-CG 4.08Å; L336-A338 VanDerWaalsContact C-N 3.28Å; L336-A338 PolarHBondContact O-N 3Å; L336-V339 HydrophobicContact CB-CB 4.26Å; L336-V339 HydrophobicContact CB-CG2 4.02Å; L336-V339 HydrophobicContact CD1-CG2 4.18Å; L336-V339 PolarHBondContact O-N 3.44Å; L336-Q340 WeakPolarHBondContact O-CG 3.36Å; L336-Q340 PolarHBondContact O-N 2.97Å; L336-F401 HydrophobicContact CD1-CE1 3.89Å; L336-F401 HydrophobicContact CD1-CZ 4.2Å; L336-Y509 HydrophobicContact CD1-CE2 4.26Å
337	T	91.3	Very high	77.8	Confident	79 Å²	79	75.7 Å²	75.7	49%	0.485	39%	0.392	S	S	.	.	H	α-helix	trans	-60.1	-38	-179.6	-51.7	0	0	0	0	111.8	L335 V339 Q340 R341	L335-T337 PolarHBondContact O-N 3.46Å; T337-V339 PolarHBondContact O-N 3.04Å; T337-Q340 PolarHBondContact O-N 2.89Å; T337-R341 HydrophobicContact CG2-CG 4.42Å; T337-R341 WeakPolarHBondContact O-CG 3.36Å; T337-R341 PolarHBondContact O-N 3.05Å
338	A	93.3	Very high	80.6	Confident	10 Å²	10	74.3 Å²	74.3	8%	0.083	39%	0.386	C	S	.	.	H	α-helix	trans	-57.8	-49.3	176.6	0	0	0	0	0	111.9	L336 Q340 R341 L342 E505 E506 Y509	L336-A338 VanDerWaalsContact C-N 3.28Å; L336-A338 PolarHBondContact O-N 3Å; A338-Q340 VanDerWaalsContact C-N 3.34Å; A338-Q340 PolarHBondContact O-N 3.28Å; A338-R341 PolarHBondContact O-N 3.07Å; A338-L342 VanDerWaalsContact O-CG 3.32Å; A338-L342 WeakPolarHBondContact O-CG 3.5Å; A338-L342 PolarHBondContact O-N 3.08Å; A338-E505 HydrophobicContact CB-CG 4.31Å; A338-E506 HydrophobicContact CB-CB 3.99Å; A338-E506 HydrophobicContact CB-CG 4.17Å; A338-Y509 HydrophobicContact CB-CD2 4.2Å; A338-Y509 HydrophobicContact CB-CE2 4.22Å
339	V	91.8	Very high	83.4	Confident	1 Å²	1	73.9 Å²	73.9	1%	0.006	37%	0.37	C	S	.	.	H	α-helix	trans	-65.3	-37.9	178.1	179.1	0	0	0	0	111.4	I334 L336 T337 L342 K343 F401 Y509	I334-V339 HydrophobicContact CG2-CB 4.29Å; I334-V339 HydrophobicContact CG2-CG1 4.33Å; I334-V339 HydrophobicContact CG2-CG2 4.42Å; L336-V339 HydrophobicContact CB-CB 4.26Å; L336-V339 HydrophobicContact CB-CG2 4.02Å; L336-V339 HydrophobicContact CD1-CG2 4.18Å; L336-V339 PolarHBondContact O-N 3.44Å; T337-V339 PolarHBondContact O-N 3.04Å; V339-L342 PolarHBondContact O-N 3.44Å; V339-K343 HydrophobicContact CG1-CD 4.36Å; V339-K343 VanDerWaalsContact O-CG 3.31Å; V339-K343 WeakPolarHBondContact O-CG 3.31Å; V339-K343 PolarHBondContact O-N 2.78Å; V339-F401 HydrophobicContact CG1-CB 4.15Å; V339-F401 HydrophobicContact CG1-CD1 4.47Å; V339-F401 HydrophobicContact CG1-CG 4.17Å; V339-F401 HydrophobicContact CG2-CD1 3.99Å; V339-F401 HydrophobicContact CG2-CD2 4Å; V339-F401 HydrophobicContact CG2-CE1 3.88Å; V339-F401 HydrophobicContact CG2-CE2 3.87Å; V339-F401 HydrophobicContact CG2-CG 4.04Å; V339-F401 HydrophobicContact CG2-CZ 3.8Å; V339-Y509 HydrophobicContact CG2-CD2 3.82Å; V339-Y509 HydrophobicContact CG2-CE2 4.04Å
340	Q	91.9	Very high	85.9	Confident	75 Å²	75	69.1 Å²	69.1	35%	0.35	35%	0.35	S	S	.	.	H	α-helix	trans	-65.5	-43	176.9	-69.9	177.4	-3	0	0	112.2	I334 L336 T337 A338 K343 Q344	I334-Q340 PolarHBondContact O-NE2 2.96Å; L336-Q340 WeakPolarHBondContact O-CG 3.36Å; L336-Q340 PolarHBondContact O-N 2.97Å; T337-Q340 PolarHBondContact O-N 2.89Å; A338-Q340 VanDerWaalsContact C-N 3.34Å; A338-Q340 PolarHBondContact O-N 3.28Å; Q340-K343 PolarHBondContact O-N 3.08Å; Q340-Q344 WeakPolarHBondContact O-CG 3.47Å; Q340-Q344 PolarHBondContact O-N 3.12Å
341	R	94.1	Very high	88.1	Confident	140 Å²	140	60.8 Å²	60.8	53%	0.528	31%	0.313	S	S	.	.	H	α-helix	trans	-60.9	-44.8	174.3	-74.3	177.7	-177.1	165.1	1.9	111.7	T337 A338 K343 Q344 E345 E506	T337-R341 HydrophobicContact CG2-CG 4.42Å; T337-R341 WeakPolarHBondContact O-CG 3.36Å; T337-R341 PolarHBondContact O-N 3.05Å; A338-R341 PolarHBondContact O-N 3.07Å; R341-K343 VanDerWaalsContact C-N 3.34Å; R341-K343 PolarHBondContact O-N 3.24Å; R341-Q344 WeakPolarHBondContact O-CB 3.27Å; R341-Q344 PolarHBondContact O-N 3.44Å; R341-E345 WeakPolarHBondContact O-CB 3.43Å; R341-E345 PolarHBondContact O-N 3.07Å; R341-E506 WeakPolarHBondContact CD-OE2 3.43Å; R341-E506 IonicContact NH1-OE2 3.94Å
342	L	94.5	Very high	89.6	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.5	-42.8	175.3	-71.9	168	0	0	0	112.4	A338 V339 E345 I346 L398 E506 R510	A338-L342 VanDerWaalsContact O-CG 3.32Å; A338-L342 WeakPolarHBondContact O-CG 3.5Å; A338-L342 PolarHBondContact O-N 3.08Å; V339-L342 PolarHBondContact O-N 3.44Å; L342-E345 PolarHBondContact O-N 3.44Å; L342-I346 WeakPolarHBondContact O-CG1 3.14Å; L342-I346 PolarHBondContact O-N 3.37Å; L342-I346 VanDerWaalsContact O-N 3.09Å; L342-L398 HydrophobicContact CB-CD1 4.19Å; L342-L398 HydrophobicContact CB-CD2 4.42Å; L342-L398 HydrophobicContact CD1-CD2 3.86Å; L342-E506 HydrophobicContact CD1-CG 4.17Å; L342-E506 HydrophobicContact CD2-CG 4.24Å; L342-E506 HydrophobicContact CG-CG 4.01Å; L342-R510 HydrophobicContact CD2-CB 3.87Å; L342-R510 HydrophobicContact CD2-CG 4.11Å
343	K	93.3	Very high	90.5	Very high	35 Å²	35	61.7 Å²	61.7	15%	0.152	33%	0.328	C	S	.	.	H	α-helix	trans	-64.8	-40.5	175.1	-71.5	-179.7	-177.1	-166.6	0	112.1	V339 Q340 R341 I346 G347 L398 M399	V339-K343 HydrophobicContact CG1-CD 4.36Å; V339-K343 VanDerWaalsContact O-CG 3.31Å; V339-K343 WeakPolarHBondContact O-CG 3.31Å; V339-K343 PolarHBondContact O-N 2.78Å; Q340-K343 PolarHBondContact O-N 3.08Å; R341-K343 VanDerWaalsContact C-N 3.34Å; R341-K343 PolarHBondContact O-N 3.24Å; K343-I346 PolarHBondContact O-N 2.72Å; K343-G347 PolarHBondContact O-N 2.71Å; K343-G347 VanDerWaalsContact O-N 3.12Å; K343-L398 WeakPolarHBondContact CE-O 3.44Å; K343-M399 HydrophobicContact CB-SD 4.45Å; K343-M399 HydrophobicContact CD-SD 4.06Å; K343-M399 HydrophobicContact CG-SD 3.88Å; K343-M399 PolarHBondContact NZ-O 3.48Å
344	Q	93.1	Very high	91.4	Very high	123 Å²	123	56.2 Å²	56.2	58%	0.575	30%	0.303	S	S	*	.	H	α-helix	trans	-64.4	-40.4	175.7	-74.8	174	-8.2	0	0	111.7	Q340 R341 G347 S348	Q340-Q344 WeakPolarHBondContact O-CG 3.47Å; Q340-Q344 PolarHBondContact O-N 3.12Å; R341-Q344 WeakPolarHBondContact O-CB 3.27Å; R341-Q344 PolarHBondContact O-N 3.44Å; Q344-G347 CarbonylContact O-C 3.6Å; Q344-G347 WeakPolarHBondContact O-CA 3.37Å; Q344-G347 PolarHBondContact O-N 3.28Å; Q344-G347 VanDerWaalsContact O-N 3.17Å; Q344-S348 PolarHBondContact O-N 3.44Å
345	E	94.6	Very high	92.1	Very high	52 Å²	52	58.3 Å²	58.3	24%	0.243	31%	0.309	C	S	.	.	H	α-helix	trans	-63.2	-43.3	176.6	-175	-171.7	152.1	0	0	112.3	R341 L342 G347 S348 Q349 R510	R341-E345 WeakPolarHBondContact O-CB 3.43Å; R341-E345 PolarHBondContact O-N 3.07Å; L342-E345 PolarHBondContact O-N 3.44Å; E345-G347 PolarHBondContact O-N 3Å; E345-S348 PolarHBondContact O-N 3.32Å; E345-S348 PolarHBondContact O-OG 3.11Å; E345-Q349 VanDerWaalsContact CG-NE2 3.29Å; E345-Q349 WeakPolarHBondContact O-CB 3.35Å; E345-Q349 WeakPolarHBondContact O-CG 3.25Å; E345-Q349 PolarHBondContact O-N 2.88Å; E345-Q349 PolarHBondContact OE1-NE2 3.31Å; E345-R510 IonicContact OE1-CZ 2.76Å; E345-R510 IonicContact OE1-NH1 2.69Å; E345-R510 PolarHBondContact OE1-NH1 3.2Å; E345-R510 IonicContact OE2-CZ 2.87Å; E345-R510 IonicContact OE2-NH1 3.94Å; E345-R510 PolarHBondContact OE2-NH1 3.01Å; E345-R510 IonicContact OE2-NH2 3.81Å; E345-R510 PolarHBondContact OE2-NH2 3.34Å
346	I	93.6	Very high	92.6	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.036	29%	0.288	C	S	.	.	H	α-helix	trans	-58.4	-42.2	173.1	-69.2	165.2	0	0	0	110.3	L342 K343 S350 Y394 Q395 L398 L563	L342-I346 WeakPolarHBondContact O-CG1 3.14Å; L342-I346 PolarHBondContact O-N 3.37Å; L342-I346 VanDerWaalsContact O-N 3.09Å; K343-I346 PolarHBondContact O-N 2.72Å; I346-S350 PolarHBondContact O-N 2.95Å; I346-Y394 HydrophobicContact CD1-CD1 4.46Å; I346-Y394 HydrophobicContact CD1-CE1 3.81Å; I346-Y394 HydrophobicContact CG1-CE1 3.84Å; I346-Q395 HydrophobicContact CD1-CG 4.22Å; I346-Q395 HydrophobicContact CG2-CG 3.83Å; I346-L398 HydrophobicContact CD1-CB 4.3Å; I346-L398 HydrophobicContact CD1-CD1 3.75Å; I346-L563 HydrophobicContact CG2-CB 4.11Å; I346-L563 HydrophobicContact CG2-CD1 3.83Å
347	G	90.6	Very high	92.9	Very high	35 Å²	35	51.3 Å²	51.3	36%	0.361	28%	0.276	S	S	.	.	H	α-helix	trans	-63	-45.1	176.8	0	0	0	0	0	113.1	K343 Q344 E345 S350	K343-G347 PolarHBondContact O-N 2.71Å; K343-G347 VanDerWaalsContact O-N 3.12Å; Q344-G347 CarbonylContact O-C 3.6Å; Q344-G347 WeakPolarHBondContact O-CA 3.37Å; Q344-G347 PolarHBondContact O-N 3.28Å; Q344-G347 VanDerWaalsContact O-N 3.17Å; E345-G347 PolarHBondContact O-N 3Å; G347-S350 WeakPolarHBondContact O-CB 3.41Å; G347-S350 PolarHBondContact O-N 3.28Å
348	S	92.4	Very high	93.1	Very high	96 Å²	96	47.6 Å²	47.6	67%	0.671	25%	0.254	S	S	*	.	H	α-helix	trans	-70.9	-31.5	-177.2	69.4	0	0	0	0	113.1	Q344 E345 S350	Q344-S348 PolarHBondContact O-N 3.44Å; E345-S348 PolarHBondContact O-N 3.32Å; E345-S348 PolarHBondContact O-OG 3.11Å; S348-S350 VanDerWaalsContact C-N 3.28Å; S348-S350 PolarHBondContact O-N 2.86Å
349	Q	92.8	Very high	93.1	Very high	70 Å²	70	53.4 Å²	53.4	33%	0.327	27%	0.273	S	S	.	.	H	α-helix	trans	-77.4	-12.7	175.5	-67.9	176.4	14.1	0	0	113	E345 P565 E566	E345-Q349 VanDerWaalsContact CG-NE2 3.29Å; E345-Q349 WeakPolarHBondContact O-CB 3.35Å; E345-Q349 WeakPolarHBondContact O-CG 3.25Å; E345-Q349 PolarHBondContact O-N 2.88Å; E345-Q349 PolarHBondContact OE1-NE2 3.31Å; Q349-P565 HydrophobicContact CB-CB 4.41Å; Q349-P565 CarbonylContact O-C 3.59Å; Q349-P565 WeakPolarHBondContact O-CA 3.46Å; Q349-E566 PolarHBondContact O-N 3.32Å
350	S	92.2	Very high	93.1	Very high	9 Å²	9	59 Å²	59	6%	0.063	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-80	126	-171.6	-172.8	0	0	0	0	113.9	I346 G347 S348 R355 P564	I346-S350 PolarHBondContact O-N 2.95Å; G347-S350 WeakPolarHBondContact O-CB 3.41Å; G347-S350 PolarHBondContact O-N 3.28Å; S348-S350 VanDerWaalsContact C-N 3.28Å; S348-S350 PolarHBondContact O-N 2.86Å; S350-R355 VanDerWaalsContact OG-CD 3.25Å; S350-R355 WeakPolarHBondContact OG-CD 3.39Å; S350-R355 WeakPolarHBondContact OG-CG 3.47Å; S350-R355 PolarHBondContact OG-NE 3.48Å; S350-P564 CarbonylContact C-O 3.53Å; S350-P564 VanDerWaalsContact CA-O 3.29Å; S350-P564 WeakPolarHBondContact CA-O 3.42Å; S350-P564 PolarHBondContact OG-O 2.81Å
351	S	93.6	Very high	93.3	Very high	13 Å²	13	55.9 Å²	55.9	9%	0.091	29%	0.285	C	S	.	.			trans	-75.7	127.4	176.5	168.8	0	0	0	0	111.5	D353 L354 R355 P564	S351-D353 VanDerWaalsContact C-N 3.33Å; S351-D353 PolarHBondContact O-N 3.28Å; S351-D353 PolarHBondContact OG-N 2.87Å; S351-L354 PolarHBondContact OG-N 3.07Å; S351-R355 WeakPolarHBondContact O-CB 3.38Å; S351-R355 VanDerWaalsContact O-CG 3.27Å; S351-R355 WeakPolarHBondContact O-CG 3.35Å; S351-R355 PolarHBondContact O-N 3.37Å; S351-R355 PolarHBondContact O-NE 3.22Å; S351-P564 PolarHBondContact N-O 3.35Å
352	P	91.9	Very high	93.2	Very high	80 Å²	80	52.3 Å²	52.3	52%	0.519	28%	0.282	S	S	.	.	H	α-helix	trans	-62.4	-37.2	174	25.1	-31.9	0	0	0	112.9	R355 A356	P352-R355 WeakPolarHBondContact O-CB 3.41Å; P352-R355 PolarHBondContact O-N 2.89Å; P352-A356 PolarHBondContact O-N 3.02Å
353	D	92	Very high	93.2	Very high	126 Å²	126	55.2 Å²	55.2	67%	0.674	29%	0.294	S	S	*	.	H	α-helix	trans	-69	-45.1	-178.8	-64.9	-30.7	0	0	0	111.9	S351 R355 A356 L357	S351-D353 VanDerWaalsContact C-N 3.33Å; S351-D353 PolarHBondContact O-N 3.28Å; S351-D353 PolarHBondContact OG-N 2.87Å; D353-R355 VanDerWaalsContact C-N 3.3Å; D353-R355 PolarHBondContact O-N 3.18Å; D353-A356 WeakPolarHBondContact O-CB 3.33Å; D353-A356 PolarHBondContact O-N 2.87Å; D353-L357 PolarHBondContact O-N 3.36Å
354	L	94	Very high	93.2	Very high	16 Å²	16	57.2 Å²	57.2	8%	0.084	31%	0.309	C	S	.	.	H	α-helix	trans	-66	-35.6	175.2	-64.1	-178.4	0	0	0	111.3	S351 A356 L357 F358 P564 F568 A569 I574	S351-L354 PolarHBondContact OG-N 3.07Å; L354-A356 VanDerWaalsContact C-N 3.32Å; L354-A356 PolarHBondContact O-N 3.47Å; L354-L357 WeakPolarHBondContact O-CB 3.1Å; L354-L357 PolarHBondContact O-N 3.47Å; L354-F358 VanDerWaalsContact O-CD2 3.29Å; L354-F358 WeakPolarHBondContact O-CD2 3.25Å; L354-F358 PolarHBondContact O-N 3.21Å; L354-P564 VanDerWaalsContact C-CG 3.5Å; L354-P564 HydrophobicContact CB-CB 3.74Å; L354-P564 HydrophobicContact CB-CG 3.39Å; L354-P564 HydrophobicContact CD1-CB 4.11Å; L354-F568 HydrophobicContact CD1-CB 4.21Å; L354-A569 HydrophobicContact CD1-CB 4.23Å; L354-I574 HydrophobicContact CD1-CD1 4.05Å; L354-I574 HydrophobicContact CD2-CD1 3.87Å; L354-I574 HydrophobicContact CG-CD1 4.49Å
355	R	93	Very high	93.1	Very high	76 Å²	76	52.4 Å²	52.4	29%	0.287	29%	0.293	S	S	.	.	H	α-helix	trans	-59	-44.1	172.8	-81.7	-177.4	-70.5	168.7	-3.7	111.4	S350 S351 P352 D353 R359 L563 P564	S350-R355 VanDerWaalsContact OG-CD 3.25Å; S350-R355 WeakPolarHBondContact OG-CD 3.39Å; S350-R355 WeakPolarHBondContact OG-CG 3.47Å; S350-R355 PolarHBondContact OG-NE 3.48Å; S351-R355 WeakPolarHBondContact O-CB 3.38Å; S351-R355 VanDerWaalsContact O-CG 3.27Å; S351-R355 WeakPolarHBondContact O-CG 3.35Å; S351-R355 PolarHBondContact O-N 3.37Å; S351-R355 PolarHBondContact O-NE 3.22Å; P352-R355 WeakPolarHBondContact O-CB 3.41Å; P352-R355 PolarHBondContact O-N 2.89Å; D353-R355 VanDerWaalsContact C-N 3.3Å; D353-R355 PolarHBondContact O-N 3.18Å; R355-R359 VanDerWaalsContact O-CB 3.24Å; R355-R359 WeakPolarHBondContact O-CB 3.49Å; R355-R359 PolarHBondContact O-N 3.22Å; R355-L563 HydrophobicContact CG-CD2 4.39Å; R355-P564 HydrophobicContact CG-CG 4.04Å
356	A	93.1	Very high	92.8	Very high	29 Å²	29	51.4 Å²	51.4	24%	0.24	29%	0.291	C	S	.	.	H	α-helix	trans	-62.8	-43.7	175.8	0	0	0	0	0	111.5	P352 D353 L354 F358 R359 E360	P352-A356 PolarHBondContact O-N 3.02Å; D353-A356 WeakPolarHBondContact O-CB 3.33Å; D353-A356 PolarHBondContact O-N 2.87Å; L354-A356 VanDerWaalsContact C-N 3.32Å; L354-A356 PolarHBondContact O-N 3.47Å; A356-F358 PolarHBondContact O-N 3.39Å; A356-R359 PolarHBondContact O-N 3.47Å; A356-E360 PolarHBondContact O-N 3.06Å; A356-E360 VanDerWaalsContact O-N 3.11Å
357	L	94.7	Very high	92.6	Very high	6 Å²	6	55.4 Å²	55.4	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-54.1	-55.8	175.3	-177.9	161.2	0	0	0	111.3	D353 L354 R359 E360 H361 Y376 F381 I574	D353-L357 PolarHBondContact O-N 3.36Å; L354-L357 WeakPolarHBondContact O-CB 3.1Å; L354-L357 PolarHBondContact O-N 3.47Å; L357-R359 PolarHBondContact O-N 3.21Å; L357-E360 PolarHBondContact O-N 3.22Å; L357-H361 WeakPolarHBondContact O-CA 2.97Å; L357-H361 VanDerWaalsContact O-CB 3.31Å; L357-H361 WeakPolarHBondContact O-CB 3.31Å; L357-H361 PolarHBondContact O-N 2.77Å; L357-Y376 HydrophobicContact CB-CD1 3.98Å; L357-Y376 HydrophobicContact CB-CE1 4.3Å; L357-Y376 HydrophobicContact CB-CG 4.18Å; L357-Y376 HydrophobicContact CD1-CD1 4.43Å; L357-Y376 HydrophobicContact CG-CD1 4.03Å; L357-Y376 HydrophobicContact CG-CG 4.04Å; L357-F381 HydrophobicContact CD1-CD1 3.72Å; L357-F381 HydrophobicContact CD1-CD2 4.12Å; L357-F381 HydrophobicContact CD1-CE1 3.68Å; L357-F381 HydrophobicContact CD1-CE2 4.11Å; L357-F381 HydrophobicContact CD1-CG 3.93Å; L357-F381 HydrophobicContact CD1-CZ 3.89Å; L357-I574 HydrophobicContact CD1-CG2 4.43Å
358	F	94.7	Very high	92.4	Very high	1 Å²	1	56.7 Å²	56.7	0%	0.004	31%	0.314	C	S	.	.	H	α-helix	trans	-69.9	-32.7	-178	-74.4	-72.9	0	0	0	113.2	L354 A356 E360 H361 L374 I383 L388 F558 K559 F562 P564 I574	L354-F358 VanDerWaalsContact O-CD2 3.29Å; L354-F358 WeakPolarHBondContact O-CD2 3.25Å; L354-F358 PolarHBondContact O-N 3.21Å; A356-F358 PolarHBondContact O-N 3.39Å; F358-E360 VanDerWaalsContact C-N 3.26Å; F358-E360 PolarHBondContact O-N 2.94Å; F358-H361 PolarHBondContact O-CE1 2.89Å; F358-H361 PolarHBondContact O-ND1 3.4Å; F358-L374 HydrophobicContact CD1-CD1 4.15Å; F358-L374 HydrophobicContact CE1-CD1 3.81Å; F358-I383 HydrophobicContact CE1-CD1 4.42Å; F358-I383 HydrophobicContact CE1-CG2 4.36Å; F358-I383 HydrophobicContact CZ-CG2 4.22Å; F358-L388 HydrophobicContact CE1-CD2 3.78Å; F358-L388 HydrophobicContact CE2-CD2 4.43Å; F358-L388 HydrophobicContact CZ-CD2 3.39Å; F358-L388 HydrophobicContact CZ-CG 4.37Å; F358-F558 HydrophobicContact CD1-CB 3.68Å; F358-F558 HydrophobicContact CD1-CG 4.29Å; F358-F558 HydrophobicContact CE1-CB 4.29Å; F358-F558 HydrophobicContact CE1-CD2 4.39Å; F358-F558 HydrophobicContact CE1-CG 4.42Å; F358-F558 HydrophobicContact CG-CB 4.34Å; F358-K559 WeakPolarHBondContact O-CA 3.49Å; F358-F562 HydrophobicContact CD1-CD1 4.47Å; F358-F562 AromaticContact CD2-CD1 3.9Å; F358-F562 HydrophobicContact CD2-CD1 3.9Å; F358-F562 HydrophobicContact CD2-CE1 4.12Å; F358-F562 HydrophobicContact CE2-CD1 4.12Å; F358-F562 AromaticContact CE2-CE1 3.87Å; F358-F562 HydrophobicContact CE2-CE1 3.87Å; F358-F562 HydrophobicContact CG-CD1 4.11Å; F358-F562 HydrophobicContact CZ-CE1 4.17Å; F358-P564 HydrophobicContact CD2-CB 4.13Å; F358-P564 HydrophobicContact CD2-CG 3.92Å; F358-P564 HydrophobicContact CE2-CB 4.04Å; F358-P564 HydrophobicContact CE2-CG 4.31Å; F358-I574 HydrophobicContact CE2-CD1 3.56Å; F358-I574 HydrophobicContact CZ-CD1 3.73Å; F358-I574 HydrophobicContact CZ-CG1 4.37Å
359	R	92.7	Very high	92	Very high	131 Å²	131	52.2 Å²	52.2	49%	0.494	28%	0.283	S	S	.	.	H	α-helix	trans	-64.6	-32.1	177.1	-174.7	179.4	-67.1	176.4	-3.6	112.7	R355 A356 L357 K559	R355-R359 VanDerWaalsContact O-CB 3.24Å; R355-R359 WeakPolarHBondContact O-CB 3.49Å; R355-R359 PolarHBondContact O-N 3.22Å; A356-R359 PolarHBondContact O-N 3.47Å; L357-R359 PolarHBondContact O-N 3.21Å; R359-K559 WeakPolarHBondContact O-CE 3.43Å; R359-K559 WeakPolarHBondContact O-CG 3.46Å
360	E	93.3	Very high	91.9	Very high	119 Å²	119	51.3 Å²	51.3	56%	0.556	28%	0.278	S	S	*	.	H	α-helix	trans	-115.8	-0.6	-171.2	-67.8	178	-175.2	0	0	114	A356 L357 F358 Y376	A356-E360 PolarHBondContact O-N 3.06Å; A356-E360 VanDerWaalsContact O-N 3.11Å; L357-E360 PolarHBondContact O-N 3.22Å; F358-E360 VanDerWaalsContact C-N 3.26Å; F358-E360 PolarHBondContact O-N 2.94Å; E360-Y376 HydrophobicContact CB-CD2 4Å; E360-Y376 HydrophobicContact CB-CE2 3.75Å
361	H	94.3	Very high	91.9	Very high	9 Å²	9	54 Å²	54	4%	0.042	29%	0.287	C	S	.	.			trans	-58	151.3	-178.8	77.8	-88.7	0	0	0	113	L357 F358 L374 Q375 C555 K559	L357-H361 WeakPolarHBondContact O-CA 2.97Å; L357-H361 VanDerWaalsContact O-CB 3.31Å; L357-H361 WeakPolarHBondContact O-CB 3.31Å; L357-H361 PolarHBondContact O-N 2.77Å; F358-H361 PolarHBondContact O-CE1 2.89Å; F358-H361 PolarHBondContact O-ND1 3.4Å; H361-L374 HydrophobicContact CB-CB 4.26Å; H361-L374 HydrophobicContact CB-CD1 4.24Å; H361-Q375 CarbonylContact C-O 3.6Å; H361-Q375 WeakPolarHBondContact CA-O 3.33Å; H361-C555 PolarHBondContact CE1-O 2.9Å; H361-K559 PolarHBondContact O-NZ 2.78Å
362	S	94	Very high	92	Very high	66 Å²	66	53.4 Å²	53.4	46%	0.462	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.2	162.1	-171	0	0	0	0	109.1	L374 Q375	S362-L374 WeakPolarHBondContact O-CA 3.47Å; S362-Q375 PolarHBondContact N-O 3.26Å; S362-Q375 PolarHBondContact O-N 3.48Å
363	F	93.8	Very high	92.2	Very high	61 Å²	61	51.2 Å²	51.2	27%	0.268	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	124.4	175.3	174.1	-92.3	0	0	0	109.5	T372 L374 V551 K552 C555	F363-T372 HydrophobicContact CD2-CG2 3.96Å; F363-T372 HydrophobicContact CE2-CG2 3.54Å; F363-L374 HydrophobicContact CD2-CD2 4.22Å; F363-V551 HydrophobicContact CE2-CG1 4.24Å; F363-K552 HydrophobicContact CD1-CG 4.43Å; F363-K552 HydrophobicContact CE1-CD 4.41Å; F363-K552 HydrophobicContact CE1-CG 3.97Å; F363-K552 HydrophobicContact CE2-CG 4.26Å; F363-K552 HydrophobicContact CZ-CG 3.86Å; F363-C555 HydrophobicContact CD2-CB 4.2Å
364	V	93	Very high	92.4	Very high	77 Å²	77	45.2 Å²	45.2	47%	0.467	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-55.7	178.3	180	0	0	0	0	110.3	L373 Q375 L380	V364-L373 HydrophobicContact CB-CB 4.01Å; V364-L373 WeakPolarHBondContact CB-O 3.32Å; V364-L373 HydrophobicContact CG1-CB 4.4Å; V364-L373 PolarHBondContact N-O 3.22Å; V364-Q375 HydrophobicContact CG2-CB 3.77Å; V364-L380 HydrophobicContact CG2-CD1 3.94Å
365	G	91	Very high	92.4	Very high	22 Å²	22	48.2 Å²	48.2	23%	0.227	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.5	165.7	-177.1	0	0	0	0	0	112.2	L373	G365-L373 PolarHBondContact N-O 3.29Å; G365-L373 WeakPolarHBondContact O-CB 3.41Å; G365-L373 PolarHBondContact O-N 2.94Å
366	S	89.1	Confident	92.5	Very high	31 Å²	31	46.1 Å²	46.1	22%	0.217	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.7	175.1	-59.3	0	0	0	0	110.3	T372 V551	S366-T372 PolarHBondContact OG-OG1 2.84Å; S366-V551 WeakPolarHBondContact OG-CG1 3.44Å
367	V	88.7	Confident	92.6	Very high	91 Å²	91	51.4 Å²	51.4	55%	0.552	26%	0.258	S	S	*	.	S	Bend	trans	-73.2	-50.5	175	-176.5	0	0	0	0	109	Y371 L373	V367-Y371 PolarHBondContact N-O 3.06Å; V367-L373 HydrophobicContact CG2-CD1 4.09Å; V367-L373 HydrophobicContact CG2-CD2 4.1Å; V367-L373 HydrophobicContact CG2-CG 3.78Å
368	D	86.1	Confident	92.5	Very high	61 Å²	61	54.2 Å²	54.2	33%	0.326	28%	0.276	S	S	.	.	S	Bend	trans	-149.1	-168.9	173.3	60.9	20.4	0	0	0	109.1	K370 Y371 W547	D368-K370 PolarHBondContact O-N 3.13Å; D368-K370 WeakPolarHBondContact OD1-CA 3.46Å; D368-K370 WeakPolarHBondContact OD1-CB 3.1Å; D368-K370 PolarHBondContact OD1-N 2.86Å; D368-Y371 PolarHBondContact N-O 3.06Å; D368-Y371 PolarHBondContact OD1-N 3.06Å; D368-W547 WeakPolarHBondContact O-CZ3 3.46Å
369	L	84.8	Confident	92.5	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.016	28%	0.276	C	S	.	.	S	Bend	trans	-60.4	-26.6	175.1	-94.6	176.4	0	0	0	114.1	L522 E527 W547	L369-L522 HydrophobicContact CD2-CD2 4.29Å; L369-L522 HydrophobicContact CD2-CG 4.49Å; L369-E527 WeakPolarHBondContact CB-OE2 3.21Å; L369-E527 HydrophobicContact CD1-CB 3.75Å; L369-E527 HydrophobicContact CD1-CG 3.39Å; L369-E527 VanDerWaalsContact CD1-OE2 3.22Å; L369-E527 WeakPolarHBondContact CD1-OE2 3.27Å; L369-E527 VanDerWaalsContact CG-CD 3.42Å; L369-E527 HydrophobicContact CG-CG 4.21Å; L369-E527 WeakPolarHBondContact CG-OE2 3.4Å; L369-W547 HydrophobicContact CD2-CB 3.5Å; L369-W547 HydrophobicContact CD2-CD2 3.56Å; L369-W547 HydrophobicContact CD2-CE3 3.59Å; L369-W547 HydrophobicContact CD2-CG 3.56Å; L369-W547 HydrophobicContact CD2-CZ3 4.41Å; L369-W547 HydrophobicContact CG-CD2 3.94Å; L369-W547 HydrophobicContact CG-CE3 4.09Å; L369-W547 HydrophobicContact CG-CG 4.16Å
370	K	89.6	Confident	92.6	Very high	50 Å²	50	50 Å²	50	22%	0.217	26%	0.263	C	S	.	.	S	Bend	trans	-92.5	-41.7	-173.4	-170	177.6	178.6	-165.1	0	111.4	D368 D384 V385 Y524	D368-K370 PolarHBondContact O-N 3.13Å; D368-K370 WeakPolarHBondContact OD1-CA 3.46Å; D368-K370 WeakPolarHBondContact OD1-CB 3.1Å; D368-K370 PolarHBondContact OD1-N 2.86Å; K370-D384 WeakPolarHBondContact CE-OD2 3.43Å; K370-D384 IonicContact NZ-OD2 2.77Å; K370-D384 CarbonylContact O-C 3.53Å; K370-D384 WeakPolarHBondContact O-CA 3.15Å; K370-V385 PolarHBondContact O-N 2.79Å; K370-Y524 HydrophobicContact CB-CG 4.44Å; K370-Y524 HydrophobicContact CD-CD1 3.88Å; K370-Y524 HydrophobicContact CD-CE1 4.31Å; K370-Y524 HydrophobicContact CD-CG 4.39Å; K370-Y524 HydrophobicContact CG-CD1 4.31Å
371	Y	93.7	Very high	92.8	Very high	66 Å²	66	45.7 Å²	45.7	26%	0.259	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128	-170.8	-62.9	-65.9	0	0	0	112.2	V367 D368 M382 I383 D384	V367-Y371 PolarHBondContact N-O 3.06Å; D368-Y371 PolarHBondContact N-O 3.06Å; D368-Y371 PolarHBondContact OD1-N 3.06Å; Y371-M382 HydrophobicContact CD1-CE 4.02Å; Y371-M382 HydrophobicContact CD1-CG 4.01Å; Y371-M382 HydrophobicContact CD1-SD 3.99Å; Y371-M382 HydrophobicContact CE1-CE 4.2Å; Y371-M382 HydrophobicContact CG-CG 4.28Å; Y371-M382 HydrophobicContact CG-SD 4Å; Y371-I383 VanDerWaalsContact CA-O 3.31Å; Y371-I383 WeakPolarHBondContact CA-O 3.42Å; Y371-D384 HydrophobicContact CE1-CB 4.23Å
372	T	94.5	Very high	92.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.5	175.2	-72.5	0	0	0	0	111.5	F363 S366 L374 M382 I383 V385 V551	F363-T372 HydrophobicContact CD2-CG2 3.96Å; F363-T372 HydrophobicContact CE2-CG2 3.54Å; S366-T372 PolarHBondContact OG-OG1 2.84Å; T372-L374 HydrophobicContact CG2-CD2 4.14Å; T372-M382 WeakPolarHBondContact O-CA 3.12Å; T372-I383 HydrophobicContact CG2-CD1 4.49Å; T372-I383 HydrophobicContact CG2-CG1 4.42Å; T372-I383 PolarHBondContact N-O 2.77Å; T372-I383 WeakPolarHBondContact O-CG1 3.47Å; T372-I383 PolarHBondContact O-N 3.17Å; T372-V385 WeakPolarHBondContact OG1-CG2 3.49Å; T372-V551 HydrophobicContact CG2-CG1 4.13Å; T372-V551 VanDerWaalsContact OG1-CG1 3.31Å; T372-V551 WeakPolarHBondContact OG1-CG1 3.47Å
373	L	96.4	Very high	93	Very high	34 Å²	34	44.1 Å²	44.1	18%	0.178	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.2	179.2	-60.9	-179.7	0	0	0	111.1	V364 G365 V367 L380 F381 M382 L577	V364-L373 HydrophobicContact CB-CB 4.01Å; V364-L373 WeakPolarHBondContact CB-O 3.32Å; V364-L373 HydrophobicContact CG1-CB 4.4Å; V364-L373 PolarHBondContact N-O 3.22Å; G365-L373 PolarHBondContact N-O 3.29Å; G365-L373 WeakPolarHBondContact O-CB 3.41Å; G365-L373 PolarHBondContact O-N 2.94Å; V367-L373 HydrophobicContact CG2-CD1 4.09Å; V367-L373 HydrophobicContact CG2-CD2 4.1Å; V367-L373 HydrophobicContact CG2-CG 3.78Å; L373-L380 HydrophobicContact CB-CD1 4.26Å; L373-F381 CarbonylContact C-O 3.5Å; L373-F381 VanDerWaalsContact CA-O 3.29Å; L373-F381 WeakPolarHBondContact CA-O 3.3Å; L373-M382 HydrophobicContact CD2-CB 3.9Å; L373-M382 HydrophobicContact CD2-CG 4.14Å; L373-L577 HydrophobicContact CD2-CD1 3.49Å; L373-L577 VanDerWaalsContact CD2-CD1 3.49Å
374	L	96	Very high	93.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.7	175	-57.8	-173.3	0	0	0	109.5	F358 H361 S362 F363 T372 F381 I383	F358-L374 HydrophobicContact CD1-CD1 4.15Å; F358-L374 HydrophobicContact CE1-CD1 3.81Å; H361-L374 HydrophobicContact CB-CB 4.26Å; H361-L374 HydrophobicContact CB-CD1 4.24Å; S362-L374 WeakPolarHBondContact O-CA 3.47Å; F363-L374 HydrophobicContact CD2-CD2 4.22Å; T372-L374 HydrophobicContact CG2-CD2 4.14Å; L374-F381 PolarHBondContact N-O 3.01Å; L374-F381 PolarHBondContact O-N 3.37Å; L374-I383 HydrophobicContact CD1-CD1 3.74Å; L374-I383 HydrophobicContact CD1-CG1 4.22Å; L374-I383 HydrophobicContact CD1-CG2 4.02Å; L374-I383 HydrophobicContact CG-CD1 4.08Å; L374-I383 HydrophobicContact CG-CG1 4.2Å; L374-I383 HydrophobicContact CG-CG2 4.41Å
375	Q	95	Very high	93.1	Very high	80 Å²	80	38 Å²	38	37%	0.374	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.3	169	-177.2	-169.5	-1.7	0	0	109.1	H361 S362 V364 K377 G379	H361-Q375 CarbonylContact C-O 3.6Å; H361-Q375 WeakPolarHBondContact CA-O 3.33Å; S362-Q375 PolarHBondContact N-O 3.26Å; S362-Q375 PolarHBondContact O-N 3.48Å; V364-Q375 HydrophobicContact CG2-CB 3.77Å; Q375-K377 PolarHBondContact NE2-O 3.01Å; Q375-G379 WeakPolarHBondContact CA-O 3.44Å
376	Y	95.1	Very high	93.2	Very high	32 Å²	32	39.1 Å²	39.1	13%	0.125	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	123.6	169.7	172	-114.6	0	0	0	109.7	L357 E360 T378 G379 F381	L357-Y376 HydrophobicContact CB-CD1 3.98Å; L357-Y376 HydrophobicContact CB-CE1 4.3Å; L357-Y376 HydrophobicContact CB-CG 4.18Å; L357-Y376 HydrophobicContact CD1-CD1 4.43Å; L357-Y376 HydrophobicContact CG-CD1 4.03Å; L357-Y376 HydrophobicContact CG-CG 4.04Å; E360-Y376 HydrophobicContact CB-CD2 4Å; E360-Y376 HydrophobicContact CB-CE2 3.75Å; Y376-T378 PolarHBondContact O-N 3.38Å; Y376-G379 PolarHBondContact N-O 2.84Å; Y376-G379 PolarHBondContact O-N 3.27Å; Y376-F381 HydrophobicContact CD1-CE2 4.25Å
377	K	93.6	Very high	93.5	Very high	139 Å²	139	41.3 Å²	41.3	60%	0.604	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	-123.2	-168.4	-62.2	174.3	171.9	167.2	0	110	Q375	Q375-K377 PolarHBondContact NE2-O 3.01Å
378	T	92.9	Very high	93.9	Very high	65 Å²	65	37 Å²	37	40%	0.399	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-5.9	176	56.6	0	0	0	0	112.7	Y376 D579 V580	Y376-T378 PolarHBondContact O-N 3.38Å; T378-D579 WeakPolarHBondContact CB-OD1 3.45Å; T378-D579 CarbonylContact O-C 3.53Å; T378-D579 WeakPolarHBondContact O-CA 3.48Å; T378-D579 VanDerWaalsContact OG1-CG 3.31Å; T378-D579 PolarHBondContact OG1-OD1 3.28Å; T378-D579 VanDerWaalsContact OG1-OD1 3.1Å; T378-D579 PolarHBondContact OG1-OD2 3.33Å; T378-V580 WeakPolarHBondContact O-CB 2.87Å; T378-V580 VanDerWaalsContact O-CG2 3.28Å; T378-V580 WeakPolarHBondContact O-CG2 3.25Å; T378-V580 PolarHBondContact O-N 3.32Å
379	G	94.3	Very high	94.3	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	137.4	-178.4	0	0	0	0	0	113	Q375 Y376 F381	Q375-G379 WeakPolarHBondContact CA-O 3.44Å; Y376-G379 PolarHBondContact N-O 2.84Å; Y376-G379 PolarHBondContact O-N 3.27Å; G379-F381 WeakPolarHBondContact O-CD2 3.39Å
380	L	95.6	Very high	94.9	Very high	41 Å²	41	36.4 Å²	36.4	22%	0.215	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	124.8	162.5	-175.4	67.5	0	0	0	108.7	V364 L373 L577 T578	V364-L380 HydrophobicContact CG2-CD1 3.94Å; L373-L380 HydrophobicContact CB-CD1 4.26Å; L380-L577 HydrophobicContact CD2-CD1 4.41Å; L380-L577 PolarHBondContact O-N 3.09Å; L380-T578 HydrophobicContact CB-CG2 3.87Å; L380-T578 HydrophobicContact CD2-CG2 4.12Å; L380-T578 PolarHBondContact N-O 3.25Å
381	F	96.6	Very high	95.2	Very high	30 Å²	30	34.3 Å²	34.3	13%	0.132	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.9	-177.3	-64.4	-96	0	0	0	110.3	L357 L373 L374 Y376 G379 I574 V575 K576	L357-F381 HydrophobicContact CD1-CD1 3.72Å; L357-F381 HydrophobicContact CD1-CD2 4.12Å; L357-F381 HydrophobicContact CD1-CE1 3.68Å; L357-F381 HydrophobicContact CD1-CE2 4.11Å; L357-F381 HydrophobicContact CD1-CG 3.93Å; L357-F381 HydrophobicContact CD1-CZ 3.89Å; L373-F381 CarbonylContact C-O 3.5Å; L373-F381 VanDerWaalsContact CA-O 3.29Å; L373-F381 WeakPolarHBondContact CA-O 3.3Å; L374-F381 PolarHBondContact N-O 3.01Å; L374-F381 PolarHBondContact O-N 3.37Å; Y376-F381 HydrophobicContact CD1-CE2 4.25Å; G379-F381 WeakPolarHBondContact O-CD2 3.39Å; F381-I574 HydrophobicContact CD1-CG2 4.2Å; F381-V575 CarbonylContact C-O 3.39Å; F381-V575 VanDerWaalsContact CA-O 3.32Å; F381-V575 WeakPolarHBondContact CA-O 3.24Å; F381-K576 HydrophobicContact CD1-CB 3.9Å; F381-K576 HydrophobicContact CD1-CG 4.3Å; F381-K576 HydrophobicContact CE1-CB 3.72Å; F381-K576 HydrophobicContact CE1-CD 4.37Å; F381-K576 HydrophobicContact CE1-CG 3.96Å; F381-K576 HydrophobicContact CZ-CB 4.4Å; F381-K576 HydrophobicContact CZ-CD 4.26Å; F381-K576 HydrophobicContact CZ-CG 4.14Å
382	M	96.4	Very high	95.3	Very high	42 Å²	42	31.2 Å²	31.2	21%	0.207	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	132.2	167.7	-173.6	176.6	71.9	0	0	108.9	Y371 T372 L373 V575 L577	Y371-M382 HydrophobicContact CD1-CE 4.02Å; Y371-M382 HydrophobicContact CD1-CG 4.01Å; Y371-M382 HydrophobicContact CD1-SD 3.99Å; Y371-M382 HydrophobicContact CE1-CE 4.2Å; Y371-M382 HydrophobicContact CG-CG 4.28Å; Y371-M382 HydrophobicContact CG-SD 4Å; T372-M382 WeakPolarHBondContact O-CA 3.12Å; L373-M382 HydrophobicContact CD2-CB 3.9Å; L373-M382 HydrophobicContact CD2-CG 4.14Å; M382-V575 PolarHBondContact N-O 3.03Å; M382-V575 PolarHBondContact O-N 3.28Å; M382-L577 HydrophobicContact CB-CD1 3.94Å; M382-L577 HydrophobicContact CB-CD2 4Å; M382-L577 HydrophobicContact CB-CG 3.88Å; M382-L577 HydrophobicContact CE-CD2 4.46Å; M382-L577 HydrophobicContact SD-CD2 4.46Å
383	I	96.2	Very high	95.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	140.7	179.9	60.1	156.6	0	0	0	111.3	F358 Y371 T372 L374 V385 L388 F558 S573 I574	F358-I383 HydrophobicContact CE1-CD1 4.42Å; F358-I383 HydrophobicContact CE1-CG2 4.36Å; F358-I383 HydrophobicContact CZ-CG2 4.22Å; Y371-I383 VanDerWaalsContact CA-O 3.31Å; Y371-I383 WeakPolarHBondContact CA-O 3.42Å; T372-I383 HydrophobicContact CG2-CD1 4.49Å; T372-I383 HydrophobicContact CG2-CG1 4.42Å; T372-I383 PolarHBondContact N-O 2.77Å; T372-I383 WeakPolarHBondContact O-CG1 3.47Å; T372-I383 PolarHBondContact O-N 3.17Å; L374-I383 HydrophobicContact CD1-CD1 3.74Å; L374-I383 HydrophobicContact CD1-CG1 4.22Å; L374-I383 HydrophobicContact CD1-CG2 4.02Å; L374-I383 HydrophobicContact CG-CD1 4.08Å; L374-I383 HydrophobicContact CG-CG1 4.2Å; L374-I383 HydrophobicContact CG-CG2 4.41Å; I383-V385 HydrophobicContact CD1-CG2 4.3Å; I383-V385 HydrophobicContact CG1-CG2 4.42Å; I383-V385 PolarHBondContact O-N 3.44Å; I383-L388 HydrophobicContact CB-CD2 3.77Å; I383-L388 HydrophobicContact CD1-CD2 3.89Å; I383-L388 HydrophobicContact CG1-CD2 4.42Å; I383-L388 HydrophobicContact CG2-CD2 4.11Å; I383-F558 HydrophobicContact CD1-CD2 4.45Å; I383-F558 HydrophobicContact CD1-CE2 4.24Å; I383-S573 CarbonylContact C-O 3.55Å; I383-S573 WeakPolarHBondContact CA-O 3.35Å; I383-I574 HydrophobicContact CG2-CG1 4.25Å; I383-I574 HydrophobicContact CG2-CG2 4.34Å
384	D	95.4	Very high	95.5	Very high	9 Å²	9	29.6 Å²	29.6	5%	0.048	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	99.9	169	-170.2	-33.9	0	0	0	109.5	K370 Y371 E386 K387 L388 S573	K370-D384 WeakPolarHBondContact CE-OD2 3.43Å; K370-D384 IonicContact NZ-OD2 2.77Å; K370-D384 CarbonylContact O-C 3.53Å; K370-D384 WeakPolarHBondContact O-CA 3.15Å; Y371-D384 HydrophobicContact CE1-CB 4.23Å; D384-E386 VanDerWaalsContact C-N 3.27Å; D384-E386 PolarHBondContact O-N 3.21Å; D384-E386 PolarHBondContact OD1-N 2.92Å; D384-K387 HydrophobicContact CB-CB 4.4Å; D384-K387 HydrophobicContact CB-CD 4.46Å; D384-K387 PolarHBondContact OD1-N 3.43Å; D384-L388 WeakPolarHBondContact O-CB 3.47Å; D384-L388 VanDerWaalsContact O-CD1 3.27Å; D384-L388 WeakPolarHBondContact O-CD1 3.35Å; D384-L388 PolarHBondContact O-N 3.25Å; D384-L388 VanDerWaalsContact O-N 3.1Å; D384-S573 PolarHBondContact N-O 3.12Å
385	V	94	Very high	95.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.2	-32.9	-174.5	-177.2	0	0	0	0	111.4	K370 T372 I383 S389 L522 V551 L554	K370-V385 PolarHBondContact O-N 2.79Å; T372-V385 WeakPolarHBondContact OG1-CG2 3.49Å; I383-V385 HydrophobicContact CD1-CG2 4.3Å; I383-V385 HydrophobicContact CG1-CG2 4.42Å; I383-V385 PolarHBondContact O-N 3.44Å; V385-S389 WeakPolarHBondContact O-CB 3.38Å; V385-S389 PolarHBondContact O-N 3.47Å; V385-S389 PolarHBondContact O-OG 3.14Å; V385-L522 HydrophobicContact CG1-CB 4.48Å; V385-L522 HydrophobicContact CG1-CD2 3.99Å; V385-V551 HydrophobicContact CG1-CG2 4.49Å; V385-V551 HydrophobicContact CG2-CG1 4.44Å; V385-L554 HydrophobicContact CG1-CD1 3.82Å
386	E	93.6	Very high	95.5	Very high	45 Å²	45	26.6 Å²	26.6	21%	0.21	13%	0.127	C	C	.	.	H	α-helix	trans	-64.4	-54.7	-179.7	-175.2	169.3	154.5	0	0	110.2	D384 L388 S389 E390 L522 K523 Y524	D384-E386 VanDerWaalsContact C-N 3.27Å; D384-E386 PolarHBondContact O-N 3.21Å; D384-E386 PolarHBondContact OD1-N 2.92Å; E386-L388 PolarHBondContact O-N 3.48Å; E386-S389 PolarHBondContact O-N 3.04Å; E386-S389 PolarHBondContact O-OG 3.33Å; E386-E390 PolarHBondContact O-N 2.97Å; E386-L522 WeakPolarHBondContact CA-O 3.47Å; E386-L522 WeakPolarHBondContact CB-O 3.36Å; E386-K523 HydrophobicContact CG-CG 4.48Å; E386-K523 WeakPolarHBondContact OE2-CA 3.23Å; E386-Y524 WeakPolarHBondContact OE2-CD1 3.3Å; E386-Y524 PolarHBondContact OE2-N 3.3Å; E386-Y524 VanDerWaalsContact OE2-N 3.09Å
387	K	95.1	Very high	95.5	Very high	78 Å²	78	25.1 Å²	25.1	34%	0.339	12%	0.121	S	C	.	.	H	α-helix	trans	-62.4	-41.9	179.2	-70.8	-175.3	174.1	-172.5	0	113	D384 E391 D571 S573	D384-K387 HydrophobicContact CB-CB 4.4Å; D384-K387 HydrophobicContact CB-CD 4.46Å; D384-K387 PolarHBondContact OD1-N 3.43Å; K387-E391 PolarHBondContact O-N 3.13Å; K387-D571 PolarHBondContact NZ-O 3.15Å; K387-D571 IonicContact NZ-OD2 3.53Å; K387-D571 PolarHBondContact NZ-OD2 3.22Å; K387-S573 WeakPolarHBondContact CD-OG 3.42Å; K387-S573 PolarHBondContact NZ-OG 3.02Å
388	L	96.2	Very high	95.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-69	-40.7	-179.6	-88.9	57.5	0	0	0	111.7	F358 I383 D384 E386 E391 L392 F558 F562 F568 I574	F358-L388 HydrophobicContact CE1-CD2 3.78Å; F358-L388 HydrophobicContact CE2-CD2 4.43Å; F358-L388 HydrophobicContact CZ-CD2 3.39Å; F358-L388 HydrophobicContact CZ-CG 4.37Å; I383-L388 HydrophobicContact CB-CD2 3.77Å; I383-L388 HydrophobicContact CD1-CD2 3.89Å; I383-L388 HydrophobicContact CG1-CD2 4.42Å; I383-L388 HydrophobicContact CG2-CD2 4.11Å; D384-L388 WeakPolarHBondContact O-CB 3.47Å; D384-L388 VanDerWaalsContact O-CD1 3.27Å; D384-L388 WeakPolarHBondContact O-CD1 3.35Å; D384-L388 PolarHBondContact O-N 3.25Å; D384-L388 VanDerWaalsContact O-N 3.1Å; E386-L388 PolarHBondContact O-N 3.48Å; L388-E391 PolarHBondContact O-N 2.93Å; L388-L392 WeakPolarHBondContact O-CB 3.37Å; L388-L392 PolarHBondContact O-N 3.17Å; L388-F558 HydrophobicContact CB-CE1 3.88Å; L388-F558 HydrophobicContact CB-CE2 4.3Å; L388-F558 HydrophobicContact CB-CZ 3.62Å; L388-F562 HydrophobicContact CB-CZ 4.35Å; L388-F562 HydrophobicContact CG-CE1 4.12Å; L388-F562 HydrophobicContact CG-CZ 4.17Å; L388-F568 HydrophobicContact CD1-CD2 3.74Å; L388-F568 HydrophobicContact CD1-CE2 3.74Å; L388-F568 HydrophobicContact CD1-CG 4.42Å; L388-F568 HydrophobicContact CD1-CZ 4.42Å; L388-F568 HydrophobicContact CG-CD2 4.19Å; L388-F568 HydrophobicContact CG-CE2 4.05Å; L388-I574 HydrophobicContact CD1-CG1 4.31Å
389	S	95.1	Very high	95.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67.9	-38.8	177.8	63.4	0	0	0	0	112	V385 E386 E391 L392 F393 A521 L522	V385-S389 WeakPolarHBondContact O-CB 3.38Å; V385-S389 PolarHBondContact O-N 3.47Å; V385-S389 PolarHBondContact O-OG 3.14Å; E386-S389 PolarHBondContact O-N 3.04Å; E386-S389 PolarHBondContact O-OG 3.33Å; S389-E391 PolarHBondContact O-N 3.48Å; S389-L392 WeakPolarHBondContact O-CB 3.43Å; S389-L392 PolarHBondContact O-N 2.91Å; S389-F393 WeakPolarHBondContact O-CD2 3.49Å; S389-F393 PolarHBondContact O-N 3.11Å; S389-A521 WeakPolarHBondContact OG-CA 3.43Å; S389-L522 PolarHBondContact OG-N 3.32Å
390	E	96.6	Very high	95.3	Very high	51 Å²	51	19.6 Å²	19.6	24%	0.238	9%	0.091	C	C	.	.	H	α-helix	trans	-54.4	-50.3	172	-178.5	179.9	152.5	0	0	111.6	E386 F393 Y394 K518 A521	E386-E390 PolarHBondContact O-N 2.97Å; E390-F393 PolarHBondContact O-N 3.25Å; E390-Y394 PolarHBondContact O-N 3.11Å; E390-K518 HydrophobicContact CG-CG 3.93Å; E390-K518 WeakPolarHBondContact OE1-CE 3.43Å; E390-K518 WeakPolarHBondContact OE1-CG 3.35Å; E390-A521 HydrophobicContact CB-CB 3.8Å
391	E	96.9	Very high	95.2	Very high	7 Å²	7	17.8 Å²	17.8	3%	0.033	8%	0.082	C	C	.	.	H	α-helix	trans	-67.6	-39.1	179.9	-170.2	70.7	-134.4	0	0	111.7	K387 L388 S389 F393 Y394 Q395 R514 F562 P565 K567 F568	K387-E391 PolarHBondContact O-N 3.13Å; L388-E391 PolarHBondContact O-N 2.93Å; S389-E391 PolarHBondContact O-N 3.48Å; E391-F393 PolarHBondContact O-N 3.32Å; E391-Y394 WeakPolarHBondContact O-CB 3.45Å; E391-Y394 PolarHBondContact O-N 2.91Å; E391-Y394 WeakPolarHBondContact OE1-CD1 3.49Å; E391-Q395 VanDerWaalsContact O-CG 3.25Å; E391-Q395 WeakPolarHBondContact O-CG 3.48Å; E391-Q395 PolarHBondContact O-N 3.19Å; E391-R514 VanDerWaalsContact CD-NH1 3.29Å; E391-R514 IonicContact OE1-CZ 3.22Å; E391-R514 IonicContact OE1-NH1 3.83Å; E391-R514 PolarHBondContact OE1-NH1 2.9Å; E391-R514 IonicContact OE1-NH2 3.98Å; E391-R514 PolarHBondContact OE1-NH2 2.75Å; E391-R514 VanDerWaalsContact OE1-NH2 3.13Å; E391-R514 IonicContact OE2-CZ 2.8Å; E391-R514 IonicContact OE2-NH1 2.91Å; E391-R514 PolarHBondContact OE2-NH1 2.98Å; E391-R514 IonicContact OE2-NH2 3.2Å; E391-F562 HydrophobicContact CB-CE2 4.08Å; E391-F562 HydrophobicContact CB-CZ 4.46Å; E391-F562 HydrophobicContact CG-CE2 4.1Å; E391-P565 HydrophobicContact CG-CG 4.1Å; E391-K567 IonicContact OE2-NZ 3.55Å; E391-K567 PolarHBondContact OE2-NZ 3.04Å; E391-K567 VanDerWaalsContact OE2-NZ 3.1Å; E391-F568 HydrophobicContact CB-CE2 3.94Å; E391-F568 HydrophobicContact CB-CZ 3.78Å; E391-F568 HydrophobicContact CG-CE2 4.16Å; E391-F568 HydrophobicContact CG-CZ 4.11Å
392	L	96.6	Very high	94.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.9	-48.8	174.2	171.1	69.1	0	0	0	111.6	L388 S389 Q395 I396 L554 A557 F558 S561 F562	L388-L392 WeakPolarHBondContact O-CB 3.37Å; L388-L392 PolarHBondContact O-N 3.17Å; S389-L392 WeakPolarHBondContact O-CB 3.43Å; S389-L392 PolarHBondContact O-N 2.91Å; L392-Q395 WeakPolarHBondContact O-CB 3.29Å; L392-Q395 PolarHBondContact O-N 2.99Å; L392-I396 HydrophobicContact CD1-CD1 3.85Å; L392-I396 HydrophobicContact CD1-CG1 4.21Å; L392-I396 HydrophobicContact CD2-CD1 4.47Å; L392-I396 HydrophobicContact CG-CD1 3.84Å; L392-I396 WeakPolarHBondContact O-CG1 3.4Å; L392-I396 PolarHBondContact O-N 3.49Å; L392-L554 HydrophobicContact CD2-CD2 4.22Å; L392-A557 HydrophobicContact CD2-CB 3.74Å; L392-F558 HydrophobicContact CB-CD1 4.26Å; L392-F558 HydrophobicContact CB-CE1 3.82Å; L392-F558 HydrophobicContact CD1-CD1 4.47Å; L392-F558 HydrophobicContact CD2-CD1 3.82Å; L392-F558 HydrophobicContact CD2-CE1 3.63Å; L392-F558 HydrophobicContact CG-CD1 4.41Å; L392-F558 HydrophobicContact CG-CE1 4.26Å; L392-S561 WeakPolarHBondContact CD1-OG 3.32Å; L392-F562 HydrophobicContact CB-CD2 3.87Å; L392-F562 HydrophobicContact CB-CE2 4.07Å; L392-F562 HydrophobicContact CD1-CB 4.07Å; L392-F562 HydrophobicContact CD1-CD2 3.99Å; L392-F562 HydrophobicContact CD1-CG 4.4Å
393	F	97	Very high	94.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-70.3	-34.2	-178.2	-71.1	-59.1	0	0	0	112.4	S389 E390 E391 Q395 I396 T397 L478 L479 Y482 Y520 L554	S389-F393 WeakPolarHBondContact O-CD2 3.49Å; S389-F393 PolarHBondContact O-N 3.11Å; E390-F393 PolarHBondContact O-N 3.25Å; E391-F393 PolarHBondContact O-N 3.32Å; F393-Q395 VanDerWaalsContact C-N 3.34Å; F393-Q395 PolarHBondContact O-N 2.92Å; F393-I396 HydrophobicContact CD1-CD1 4.28Å; F393-I396 PolarHBondContact O-N 3.4Å; F393-T397 WeakPolarHBondContact O-CB 3.49Å; F393-T397 PolarHBondContact O-N 3.21Å; F393-T397 PolarHBondContact O-OG1 3.12Å; F393-L478 HydrophobicContact CB-CD1 3.99Å; F393-L478 HydrophobicContact CD1-CB 3.87Å; F393-L478 HydrophobicContact CD1-CD1 3.79Å; F393-L478 HydrophobicContact CE1-CB 4.23Å; F393-L478 HydrophobicContact CG-CD1 4.25Å; F393-L479 HydrophobicContact CE1-CB 4.04Å; F393-Y482 AromaticContact CE1-CD1 3.96Å; F393-Y482 HydrophobicContact CE1-CD1 3.96Å; F393-Y482 HydrophobicContact CE1-CE1 4.04Å; F393-Y482 HydrophobicContact CE2-CD1 4.35Å; F393-Y482 AromaticContact CE2-CE1 3.64Å; F393-Y482 HydrophobicContact CE2-CE1 3.64Å; F393-Y482 AromaticContact CE2-CZ 3.74Å; F393-Y482 AromaticContact CZ-CD1 3.47Å; F393-Y482 HydrophobicContact CZ-CD1 3.47Å; F393-Y482 VanDerWaalsContact CZ-CD1 3.47Å; F393-Y482 HydrophobicContact CZ-CD2 4.35Å; F393-Y482 AromaticContact CZ-CE1 3.21Å; F393-Y482 HydrophobicContact CZ-CE1 3.21Å; F393-Y482 HydrophobicContact CZ-CE2 4.15Å; F393-Y482 HydrophobicContact CZ-CG 4.04Å; F393-Y482 AromaticContact CZ-CZ 3.58Å; F393-Y520 HydrophobicContact CD1-CD1 4.28Å; F393-Y520 HydrophobicContact CD1-CG 4.41Å; F393-Y520 VanDerWaalsContact CD2-CB 3.42Å; F393-Y520 WeakPolarHBondContact CD2-O 3.44Å; F393-Y520 HydrophobicContact CE1-CD1 4.31Å; F393-Y520 WeakPolarHBondContact CE2-O 3.23Å; F393-Y520 VanDerWaalsContact CG-CB 3.44Å; F393-Y520 HydrophobicContact CG-CG 4.35Å; F393-L554 HydrophobicContact CE2-CD2 3.89Å; F393-L554 HydrophobicContact CZ-CD2 3.72Å
394	Y	97.6	Very high	94.3	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	9%	0.093	C	C	.	.	H	α-helix	trans	-56.2	-48.6	167.9	165.5	-106.8	0	0	0	111.5	I346 E390 E391 T397 L398 R514	I346-Y394 HydrophobicContact CD1-CD1 4.46Å; I346-Y394 HydrophobicContact CD1-CE1 3.81Å; I346-Y394 HydrophobicContact CG1-CE1 3.84Å; E390-Y394 PolarHBondContact O-N 3.11Å; E391-Y394 WeakPolarHBondContact O-CB 3.45Å; E391-Y394 PolarHBondContact O-N 2.91Å; E391-Y394 WeakPolarHBondContact OE1-CD1 3.49Å; Y394-T397 PolarHBondContact O-N 3.01Å; Y394-L398 HydrophobicContact CD2-CD1 4.1Å; Y394-L398 HydrophobicContact CE1-CD1 4.04Å; Y394-L398 HydrophobicContact CE2-CD1 3.36Å; Y394-L398 HydrophobicContact CE2-CG 4.34Å; Y394-L398 PolarHBondContact O-N 2.88Å; Y394-L398 WeakPolarHBondContact OH-CD1 3.21Å; Y394-R514 HydrophobicContact CD2-CB 4.43Å; Y394-R514 HydrophobicContact CD2-CG 3.69Å; Y394-R514 HydrophobicContact CE2-CG 3.68Å
395	Q	96.6	Very high	94.1	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.019	12%	0.115	C	C	.	.	H	α-helix	trans	-63.1	-47.5	178.9	-68.9	174.2	13.4	0	0	111.8	I346 E391 L392 F393 T397 L398 M399 L563	I346-Q395 HydrophobicContact CD1-CG 4.22Å; I346-Q395 HydrophobicContact CG2-CG 3.83Å; E391-Q395 VanDerWaalsContact O-CG 3.25Å; E391-Q395 WeakPolarHBondContact O-CG 3.48Å; E391-Q395 PolarHBondContact O-N 3.19Å; L392-Q395 WeakPolarHBondContact O-CB 3.29Å; L392-Q395 PolarHBondContact O-N 2.99Å; F393-Q395 VanDerWaalsContact C-N 3.34Å; F393-Q395 PolarHBondContact O-N 2.92Å; Q395-T397 VanDerWaalsContact C-N 3.28Å; Q395-T397 PolarHBondContact O-N 3.22Å; Q395-L398 PolarHBondContact O-N 2.85Å; Q395-M399 VanDerWaalsContact O-CB 3.25Å; Q395-M399 WeakPolarHBondContact O-CB 3.49Å; Q395-M399 WeakPolarHBondContact O-CG 3.5Å; Q395-M399 PolarHBondContact O-N 2.91Å; Q395-L563 PolarHBondContact NE2-O 3.2Å
396	I	94.7	Very high	94	Very high	13 Å²	13	25.6 Å²	25.6	7%	0.067	13%	0.132	C	C	.	.	H	α-helix	trans	-59	-42.8	178.7	-67.9	169.6	0	0	0	110.8	L392 F393 L398 M399 K400 H404 L478	L392-I396 HydrophobicContact CD1-CD1 3.85Å; L392-I396 HydrophobicContact CD1-CG1 4.21Å; L392-I396 HydrophobicContact CD2-CD1 4.47Å; L392-I396 HydrophobicContact CG-CD1 3.84Å; L392-I396 WeakPolarHBondContact O-CG1 3.4Å; L392-I396 PolarHBondContact O-N 3.49Å; F393-I396 HydrophobicContact CD1-CD1 4.28Å; F393-I396 PolarHBondContact O-N 3.4Å; I396-L398 VanDerWaalsContact C-N 3.3Å; I396-L398 PolarHBondContact O-N 3.26Å; I396-M399 PolarHBondContact O-N 2.93Å; I396-K400 HydrophobicContact CG2-CD 4.2Å; I396-K400 WeakPolarHBondContact O-CB 3.34Å; I396-K400 PolarHBondContact O-N 3.36Å; I396-H404 PolarHBondContact O-CE1 2.92Å; I396-L478 HydrophobicContact CG2-CB 3.92Å; I396-L478 HydrophobicContact CG2-CD2 4.18Å; I396-L478 VanDerWaalsContact CG2-O 3.32Å; I396-L478 WeakPolarHBondContact CG2-O 3.28Å
397	T	95.5	Very high	93.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-56.7	-44.1	-180	-55.6	0	0	0	0	111.6	F393 Y394 Q395 F401 H404 F463 L478 S513 T516	F393-T397 WeakPolarHBondContact O-CB 3.49Å; F393-T397 PolarHBondContact O-N 3.21Å; F393-T397 PolarHBondContact O-OG1 3.12Å; Y394-T397 PolarHBondContact O-N 3.01Å; Q395-T397 VanDerWaalsContact C-N 3.28Å; Q395-T397 PolarHBondContact O-N 3.22Å; T397-F401 PolarHBondContact O-N 3.32Å; T397-H404 PolarHBondContact O-CE1 3.25Å; T397-H404 PolarHBondContact O-NE2 2.98Å; T397-F463 HydrophobicContact CG2-CD1 3.69Å; T397-F463 HydrophobicContact CG2-CE1 3.79Å; T397-L478 WeakPolarHBondContact OG1-CD1 3.21Å; T397-S513 WeakPolarHBondContact CG2-OG 3.39Å; T397-T516 HydrophobicContact CG2-CG2 4.45Å
398	L	94.7	Very high	93.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-79	-39.9	177.9	-72.3	171.2	0	0	0	113.4	L342 K343 I346 Y394 Q395 I396 K400 F401 S513	L342-L398 HydrophobicContact CB-CD1 4.19Å; L342-L398 HydrophobicContact CB-CD2 4.42Å; L342-L398 HydrophobicContact CD1-CD2 3.86Å; K343-L398 WeakPolarHBondContact CE-O 3.44Å; I346-L398 HydrophobicContact CD1-CB 4.3Å; I346-L398 HydrophobicContact CD1-CD1 3.75Å; Y394-L398 HydrophobicContact CD2-CD1 4.1Å; Y394-L398 HydrophobicContact CE1-CD1 4.04Å; Y394-L398 HydrophobicContact CE2-CD1 3.36Å; Y394-L398 HydrophobicContact CE2-CG 4.34Å; Y394-L398 PolarHBondContact O-N 2.88Å; Y394-L398 WeakPolarHBondContact OH-CD1 3.21Å; Q395-L398 PolarHBondContact O-N 2.85Å; I396-L398 VanDerWaalsContact C-N 3.3Å; I396-L398 PolarHBondContact O-N 3.26Å; L398-K400 VanDerWaalsContact C-N 3.33Å; L398-K400 PolarHBondContact O-N 3.35Å; L398-F401 VanDerWaalsContact O-CB 3.26Å; L398-F401 WeakPolarHBondContact O-CB 3.29Å; L398-F401 PolarHBondContact O-N 3.07Å; L398-S513 WeakPolarHBondContact CD2-OG 3.38Å
399	M	91.2	Very high	93.5	Very high	14 Å²	14	32.4 Å²	32.4	7%	0.069	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-39.6	-177.6	-70.1	-64.4	-84.2	0	0	111.5	L285 T288 V290 K343 Q395 I396	L285-M399 HydrophobicContact CD1-CE 4.18Å; T288-M399 WeakPolarHBondContact CG2-O 3.19Å; V290-M399 HydrophobicContact CG2-CE 3.46Å; V290-M399 VanDerWaalsContact CG2-CE 3.46Å; V290-M399 HydrophobicContact CG2-SD 4.28Å; K343-M399 HydrophobicContact CB-SD 4.45Å; K343-M399 HydrophobicContact CD-SD 4.06Å; K343-M399 HydrophobicContact CG-SD 3.88Å; K343-M399 PolarHBondContact NZ-O 3.48Å; Q395-M399 VanDerWaalsContact O-CB 3.25Å; Q395-M399 WeakPolarHBondContact O-CB 3.49Å; Q395-M399 WeakPolarHBondContact O-CG 3.5Å; Q395-M399 PolarHBondContact O-N 2.91Å; I396-M399 PolarHBondContact O-N 2.93Å
400	K	90.7	Very high	93.3	Very high	77 Å²	77	38.5 Å²	38.5	34%	0.335	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	17.4	176.8	-67.7	-173.2	174.8	-175.8	0	114.4	I396 L398 G402 N403 H404	I396-K400 HydrophobicContact CG2-CD 4.2Å; I396-K400 WeakPolarHBondContact O-CB 3.34Å; I396-K400 PolarHBondContact O-N 3.36Å; L398-K400 VanDerWaalsContact C-N 3.33Å; L398-K400 PolarHBondContact O-N 3.35Å; K400-G402 PolarHBondContact O-N 3.49Å; K400-N403 CarbonylContact O-C 3.56Å; K400-N403 WeakPolarHBondContact O-CA 3.43Å; K400-N403 PolarHBondContact O-N 3.48Å; K400-H404 VanDerWaalsContact CB-CE1 3.42Å; K400-H404 WeakPolarHBondContact CB-CE1 3.38Å; K400-H404 PolarHBondContact O-CD2 2.89Å; K400-H404 VanDerWaalsContact O-CD2 3.31Å; K400-H404 PolarHBondContact O-N 2.88Å; K400-H404 PolarHBondContact O-NE2 3.27Å
401	F	92.5	Very high	93	Very high	3 Å²	3	41 Å²	41	1%	0.013	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.8	135.6	178	-175.9	-76.3	0	0	0	111.7	I334 L336 V339 T397 L398 N403 Y462 F463 Y509	I334-F401 HydrophobicContact CD1-CB 3.83Å; I334-F401 HydrophobicContact CD1-CD1 3.96Å; I334-F401 HydrophobicContact CD1-CG 4.36Å; I334-F401 WeakPolarHBondContact CD1-O 3.29Å; I334-F401 HydrophobicContact CG1-CD1 4.41Å; I334-F401 HydrophobicContact CG2-CD1 4.13Å; I334-F401 HydrophobicContact CG2-CE1 4.44Å; L336-F401 HydrophobicContact CD1-CE1 3.89Å; L336-F401 HydrophobicContact CD1-CZ 4.2Å; V339-F401 HydrophobicContact CG1-CB 4.15Å; V339-F401 HydrophobicContact CG1-CD1 4.47Å; V339-F401 HydrophobicContact CG1-CG 4.17Å; V339-F401 HydrophobicContact CG2-CD1 3.99Å; V339-F401 HydrophobicContact CG2-CD2 4Å; V339-F401 HydrophobicContact CG2-CE1 3.88Å; V339-F401 HydrophobicContact CG2-CE2 3.87Å; V339-F401 HydrophobicContact CG2-CG 4.04Å; V339-F401 HydrophobicContact CG2-CZ 3.8Å; T397-F401 PolarHBondContact O-N 3.32Å; L398-F401 VanDerWaalsContact O-CB 3.26Å; L398-F401 WeakPolarHBondContact O-CB 3.29Å; L398-F401 PolarHBondContact O-N 3.07Å; F401-N403 PolarHBondContact O-N 2.89Å; F401-N403 VanDerWaalsContact O-N 3.07Å; F401-N403 PolarHBondContact O-ND2 3.22Å; F401-Y462 AromaticContact CE1-CD1 3.85Å; F401-Y462 HydrophobicContact CE1-CD1 3.85Å; F401-Y462 AromaticContact CE1-CD2 3.96Å; F401-Y462 HydrophobicContact CE1-CD2 3.96Å; F401-Y462 HydrophobicContact CE1-CE1 4.42Å; F401-Y462 HydrophobicContact CE1-CE2 4.48Å; F401-Y462 AromaticContact CE1-CG 3.62Å; F401-Y462 HydrophobicContact CE1-CG 3.62Å; F401-Y462 HydrophobicContact CE2-CD2 4.25Å; F401-Y462 HydrophobicContact CE2-CG 4.27Å; F401-Y462 HydrophobicContact CZ-CD1 4.13Å; F401-Y462 AromaticContact CZ-CD2 3.38Å; F401-Y462 HydrophobicContact CZ-CD2 3.38Å; F401-Y462 HydrophobicContact CZ-CE2 4.06Å; F401-Y462 AromaticContact CZ-CG 3.43Å; F401-Y462 HydrophobicContact CZ-CG 3.43Å; F401-Y462 VanDerWaalsContact CZ-CG 3.43Å; F401-F463 AromaticContact CD2-CE1 3.72Å; F401-F463 HydrophobicContact CD2-CE1 3.72Å; F401-F463 AromaticContact CD2-CZ 3.82Å; F401-F463 HydrophobicContact CD2-CZ 3.82Å; F401-F463 AromaticContact CE2-CE1 3.89Å; F401-F463 HydrophobicContact CE2-CE1 3.89Å; F401-F463 HydrophobicContact CE2-CE2 4.1Å; F401-F463 AromaticContact CE2-CZ 3.48Å; F401-F463 HydrophobicContact CE2-CZ 3.48Å; F401-F463 VanDerWaalsContact CE2-CZ 3.48Å; F401-Y509 AromaticContact CE2-CD1 3.72Å; F401-Y509 HydrophobicContact CE2-CD1 3.72Å; F401-Y509 HydrophobicContact CE2-CD2 4.13Å; F401-Y509 HydrophobicContact CE2-CE1 4.04Å; F401-Y509 HydrophobicContact CE2-CE2 4.41Å; F401-Y509 AromaticContact CE2-CG 3.78Å; F401-Y509 HydrophobicContact CE2-CG 3.78Å; F401-Y509 HydrophobicContact CZ-CD1 4.03Å; F401-Y509 HydrophobicContact CZ-CD2 4.27Å; F401-Y509 AromaticContact CZ-CE1 3.85Å; F401-Y509 HydrophobicContact CZ-CE1 3.85Å; F401-Y509 HydrophobicContact CZ-CE2 4.09Å; F401-Y509 HydrophobicContact CZ-CG 4.25Å; F401-Y509 AromaticContact CZ-CZ 3.9Å
402	G	89.6	Confident	92.8	Very high	19 Å²	19	43.2 Å²	43.2	20%	0.196	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	6.2	-176.4	0	0	0	0	0	116.2	K400 Y462	K400-G402 PolarHBondContact O-N 3.49Å; G402-Y462 WeakPolarHBondContact CA-O 3.25Å; G402-Y462 PolarHBondContact N-O 3.32Å
403	N	91.3	Very high	92.6	Very high	51 Å²	51	44.6 Å²	44.6	27%	0.273	24%	0.242	S	C	.	.			trans	-137.8	24.5	-175	-65.3	-76.1	0	0	0	112.3	G331 R332 K400 F401	G331-N403 WeakPolarHBondContact CA-OD1 3.48Å; R332-N403 PolarHBondContact N-OD1 3.22Å; R332-N403 PolarHBondContact O-ND2 3.18Å; R332-N403 VanDerWaalsContact O-ND2 3.08Å; K400-N403 CarbonylContact O-C 3.56Å; K400-N403 WeakPolarHBondContact O-CA 3.43Å; K400-N403 PolarHBondContact O-N 3.48Å; F401-N403 PolarHBondContact O-N 2.89Å; F401-N403 VanDerWaalsContact O-N 3.07Å; F401-N403 PolarHBondContact O-ND2 3.22Å
404	H	90.3	Very high	92.5	Very high	23 Å²	23	47.5 Å²	47.5	11%	0.106	26%	0.257	C	S	.	.			trans	-78.6	141.6	177.1	-67.3	-71.6	0	0	0	111.1	I396 T397 K400 A464 P476	I396-H404 PolarHBondContact O-CE1 2.92Å; T397-H404 PolarHBondContact O-CE1 3.25Å; T397-H404 PolarHBondContact O-NE2 2.98Å; K400-H404 VanDerWaalsContact CB-CE1 3.42Å; K400-H404 WeakPolarHBondContact CB-CE1 3.38Å; K400-H404 PolarHBondContact O-CD2 2.89Å; K400-H404 VanDerWaalsContact O-CD2 3.31Å; K400-H404 PolarHBondContact O-N 2.88Å; K400-H404 PolarHBondContact O-NE2 3.27Å; H404-A464 HydrophobicContact CB-CB 3.8Å; H404-P476 HydrophobicContact CB-CB 4.36Å
405	E	91.2	Very high	92.3	Very high	110 Å²	110	47.4 Å²	47.4	51%	0.514	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	166	160.1	-67.8	178.5	179.5	0	0	109.1	K477	E405-K477 HydrophobicContact CB-CB 4.02Å; E405-K477 HydrophobicContact CB-CD 4.26Å; E405-K477 PolarHBondContact O-N 3.34Å; E405-K477 WeakPolarHBondContact OE2-CD 3.35Å; E405-K477 IonicContact OE2-NZ 3.14Å; E405-K477 PolarHBondContact OE2-NZ 2.97Å
406	A	91.7	Very high	92.1	Very high	42 Å²	42	50.5 Å²	50.5	35%	0.347	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	138.4	-179.2	0	0	0	0	0	112.1	W460 A464 I475	A406-W460 HydrophobicContact CB-CZ3 4.1Å; A406-A464 HydrophobicContact CB-CB 4.04Å; A406-I475 WeakPolarHBondContact CA-O 3.22Å
407	F	90.6	Very high	92.1	Very high	54 Å²	54	56.3 Å²	56.3	24%	0.237	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	118.6	157.8	-69.2	-61.3	0	0	0	108.7	S474 I475 K477 Y482 L483	F407-S474 CarbonylContact O-C 3.36Å; F407-S474 WeakPolarHBondContact O-CA 3.39Å; F407-S474 VanDerWaalsContact O-CB 3.24Å; F407-S474 WeakPolarHBondContact O-CB 3.44Å; F407-I475 HydrophobicContact CB-CG1 4Å; F407-I475 PolarHBondContact N-O 3.01Å; F407-I475 PolarHBondContact O-N 3.36Å; F407-K477 HydrophobicContact CD1-CB 4.47Å; F407-K477 HydrophobicContact CD1-CD 4.36Å; F407-K477 HydrophobicContact CD2-CB 3.79Å; F407-K477 HydrophobicContact CD2-CG 4.24Å; F407-K477 HydrophobicContact CE1-CB 4.37Å; F407-K477 HydrophobicContact CE1-CD 3.78Å; F407-K477 HydrophobicContact CE1-CG 3.99Å; F407-K477 HydrophobicContact CE2-CB 3.69Å; F407-K477 HydrophobicContact CE2-CD 4.36Å; F407-K477 HydrophobicContact CE2-CG 3.64Å; F407-K477 HydrophobicContact CG-CB 4.2Å; F407-K477 HydrophobicContact CZ-CB 4Å; F407-K477 HydrophobicContact CZ-CD 3.79Å; F407-K477 HydrophobicContact CZ-CG 3.5Å; F407-Y482 VanDerWaalsContact CE2-O 3.31Å; F407-Y482 WeakPolarHBondContact CE2-O 3.43Å; F407-Y482 WeakPolarHBondContact CZ-O 3.4Å; F407-L483 HydrophobicContact CB-CD1 4.44Å; F407-L483 HydrophobicContact CD1-CD1 4.28Å; F407-L483 HydrophobicContact CD2-CD1 3.73Å; F407-L483 HydrophobicContact CE1-CD1 4.45Å; F407-L483 HydrophobicContact CE2-CD1 3.91Å; F407-L483 HydrophobicContact CG-CD1 3.92Å; F407-L483 HydrophobicContact CZ-CD1 4.26Å
408	R	92.4	Very high	91.9	Very high	172 Å²	172	57.7 Å²	57.7	65%	0.649	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.2	176.5	-127.9	175.3	-168.5	171.6	-0.4	110.4	E466 V473	R408-E466 IonicContact CZ-OE1 2.72Å; R408-E466 IonicContact CZ-OE2 3.1Å; R408-E466 IonicContact NE-OE2 3.63Å; R408-E466 PolarHBondContact NE-OE2 2.9Å; R408-E466 IonicContact NH2-OE1 2.76Å; R408-E466 PolarHBondContact NH2-OE1 2.96Å; R408-E466 IonicContact NH2-OE2 3.75Å; R408-E466 PolarHBondContact NH2-OE2 3.26Å; R408-V473 HydrophobicContact CG-CG1 4.02Å
409	F	91.3	Very high	91.8	Very high	40 Å²	40	57.8 Å²	57.8	18%	0.175	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	140.6	173.8	-62.8	-77.1	0	0	0	109.8	T411 L472 V473 I475 L486 L489	F409-T411 WeakPolarHBondContact CB-O 3.43Å; F409-T411 PolarHBondContact O-N 3.35Å; F409-L472 HydrophobicContact CD2-CG 4.45Å; F409-L472 HydrophobicContact CE2-CD2 3.73Å; F409-L472 HydrophobicContact CE2-CG 3.85Å; F409-L472 HydrophobicContact CZ-CD2 4.2Å; F409-V473 WeakPolarHBondContact CD2-O 3.29Å; F409-V473 PolarHBondContact N-O 3.38Å; F409-I475 HydrophobicContact CE2-CG2 3.88Å; F409-I475 HydrophobicContact CZ-CD1 4.05Å; F409-I475 HydrophobicContact CZ-CG1 4.23Å; F409-I475 HydrophobicContact CZ-CG2 3.92Å; F409-L486 HydrophobicContact CE1-CD1 4.04Å; F409-L486 HydrophobicContact CE1-CD2 4.13Å; F409-L489 HydrophobicContact CE1-CD2 4.12Å; F409-L489 HydrophobicContact CZ-CD2 3.72Å
410	S	90	Very high	91.9	Very high	127 Å²	127	60 Å²	60	89%	0.888	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	-28.1	172.6	51.3	0	0	0	0	112.1
411	T	90.6	Very high	91.9	Very high	104 Å²	104	60.1 Å²	60.1	64%	0.638	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	121.2	174	-53.1	0	0	0	0	108.3	F409 C413	F409-T411 WeakPolarHBondContact CB-O 3.43Å; F409-T411 PolarHBondContact O-N 3.35Å; T411-C413 PolarHBondContact O-N 3.46Å
412	P	92.2	Very high	91.7	Very high	53 Å²	53	60.3 Å²	60.3	34%	0.344	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	138.2	177.9	-27	35.3	0	0	0	112.3	Q471 L472 V473	P412-Q471 HydrophobicContact CB-CB 3.86Å; P412-L472 CarbonylContact C-O 3.56Å; P412-L472 WeakPolarHBondContact CA-O 3.42Å; P412-V473 HydrophobicContact CB-CG2 4.27Å; P412-V473 HydrophobicContact CG-CG2 4.37Å
413	C	92.4	Very high	91.6	Very high	30 Å²	30	60.3 Å²	60.3	20%	0.203	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.1	-177	-56.1	0	0	0	0	110.5	T411 I415 M418 Q471 L472	T411-C413 PolarHBondContact O-N 3.46Å; C413-I415 PolarHBondContact O-N 3.11Å; C413-M418 HydrophobicContact CB-CG 4.42Å; C413-Q471 CarbonylContact O-C 3.52Å; C413-Q471 WeakPolarHBondContact O-CA 3.39Å; C413-L472 HydrophobicContact CB-CB 4.32Å; C413-L472 PolarHBondContact N-O 3.05Å; C413-L472 PolarHBondContact O-N 3.41Å
414	N	94.4	Very high	91.3	Very high	60 Å²	60	63.9 Å²	63.9	32%	0.321	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	115.4	177.2	-176.2	-55.3	0	0	0	110.8	K416 K417 M418	N414-K416 VanDerWaalsContact C-N 3.32Å; N414-K416 PolarHBondContact O-N 3.45Å; N414-K416 WeakPolarHBondContact OD1-CB 3.25Å; N414-K416 PolarHBondContact OD1-N 3.23Å; N414-K417 HydrophobicContact CB-CB 4.28Å; N414-K417 HydrophobicContact CB-CD 4.21Å; N414-K417 HydrophobicContact CB-CG 4.21Å; N414-K417 PolarHBondContact O-N 2.79Å; N414-K417 PolarHBondContact OD1-N 3.4Å; N414-M418 WeakPolarHBondContact O-CG 3.37Å; N414-M418 PolarHBondContact O-N 2.82Å; N414-M418 VanDerWaalsContact O-N 3.12Å
415	I	94.2	Very high	90.9	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-63.3	-38.7	-173.2	-63.1	173.7	0	0	0	111.2	C413 K417 M418 L419 V449 I467 K470 L472 L493	C413-I415 PolarHBondContact O-N 3.11Å; I415-K417 PolarHBondContact O-N 3.34Å; I415-M418 PolarHBondContact O-N 2.77Å; I415-L419 HydrophobicContact CG2-CD1 3.85Å; I415-L419 HydrophobicContact CG2-CG 4.2Å; I415-L419 WeakPolarHBondContact O-CG 3.4Å; I415-L419 PolarHBondContact O-N 3.46Å; I415-V449 HydrophobicContact CG2-CG1 4.47Å; I415-V449 HydrophobicContact CG2-CG2 4.18Å; I415-I467 HydrophobicContact CD1-CB 4.43Å; I415-I467 HydrophobicContact CD1-CD1 3.99Å; I415-I467 HydrophobicContact CD1-CG1 4.05Å; I415-I467 HydrophobicContact CD1-CG2 3.57Å; I415-K470 WeakPolarHBondContact CB-O 3.48Å; I415-K470 WeakPolarHBondContact CG1-O 3.46Å; I415-K470 PolarHBondContact N-O 3Å; I415-L472 HydrophobicContact CD1-CB 4.49Å; I415-L472 HydrophobicContact CG1-CB 4.12Å; I415-L493 HydrophobicContact CG2-CD1 4.45Å
416	K	93.6	Very high	90	Very high	69 Å²	69	67.3 Å²	67.3	30%	0.3	35%	0.346	S	S	.	.	H	α-helix	trans	-59.9	-48.3	179.2	-172.2	171.9	-180	159.4	0	111.4	N414 M418 L419 E420 D446 V449	N414-K416 VanDerWaalsContact C-N 3.32Å; N414-K416 PolarHBondContact O-N 3.45Å; N414-K416 WeakPolarHBondContact OD1-CB 3.25Å; N414-K416 PolarHBondContact OD1-N 3.23Å; K416-M418 VanDerWaalsContact C-N 3.3Å; K416-M418 PolarHBondContact O-N 3.02Å; K416-L419 PolarHBondContact O-N 3.48Å; K416-E420 WeakPolarHBondContact O-CG 3.2Å; K416-E420 PolarHBondContact O-N 3.05Å; K416-D446 WeakPolarHBondContact CE-OD1 3.43Å; K416-D446 VanDerWaalsContact NZ-CG 3.3Å; K416-D446 IonicContact NZ-OD1 2.75Å; K416-D446 PolarHBondContact NZ-OD1 3.06Å; K416-D446 IonicContact NZ-OD2 3.12Å; K416-D446 PolarHBondContact NZ-OD2 3.2Å; K416-D446 VanDerWaalsContact NZ-OD2 3.12Å; K416-V449 HydrophobicContact CB-CG2 3.84Å; K416-V449 HydrophobicContact CG-CG2 4.31Å
417	K	93.2	Very high	88.5	Confident	134 Å²	134	67.9 Å²	67.9	58%	0.583	36%	0.356	S	S	*	.	H	α-helix	trans	-61.1	-38.9	175.8	-68.3	-173.4	177.2	-176.5	0	112.3	N414 I415 E420 L421	N414-K417 HydrophobicContact CB-CB 4.28Å; N414-K417 HydrophobicContact CB-CD 4.21Å; N414-K417 HydrophobicContact CB-CG 4.21Å; N414-K417 PolarHBondContact O-N 2.79Å; N414-K417 PolarHBondContact OD1-N 3.4Å; I415-K417 PolarHBondContact O-N 3.34Å; K417-E420 WeakPolarHBondContact O-CB 3.36Å; K417-E420 PolarHBondContact O-N 3.29Å; K417-L421 VanDerWaalsContact O-CG 3.31Å; K417-L421 WeakPolarHBondContact O-CG 3.25Å; K417-L421 PolarHBondContact O-N 3.01Å
418	M	92.7	Very high	86.4	Confident	30 Å²	30	74.3 Å²	74.3	15%	0.148	39%	0.387	C	S	.	.	H	α-helix	trans	-66.5	-41.6	177.2	-64.4	-64.1	-82.7	0	0	111.5	C413 N414 I415 K416 L421 A422 L489 P490 L493	C413-M418 HydrophobicContact CB-CG 4.42Å; N414-M418 WeakPolarHBondContact O-CG 3.37Å; N414-M418 PolarHBondContact O-N 2.82Å; N414-M418 VanDerWaalsContact O-N 3.12Å; I415-M418 PolarHBondContact O-N 2.77Å; K416-M418 VanDerWaalsContact C-N 3.3Å; K416-M418 PolarHBondContact O-N 3.02Å; M418-L421 PolarHBondContact O-N 2.85Å; M418-L421 HydrophobicContact SD-CD1 4.45Å; M418-A422 WeakPolarHBondContact O-CB 3.42Å; M418-A422 PolarHBondContact O-N 3.5Å; M418-L489 HydrophobicContact CE-CB 3.77Å; M418-L489 HydrophobicContact CE-CD2 3.75Å; M418-L489 HydrophobicContact CE-CG 3.65Å; M418-P490 HydrophobicContact CE-CB 4.45Å; M418-P490 VanDerWaalsContact CE-CD 3.43Å; M418-P490 HydrophobicContact CE-CG 3.51Å; M418-P490 VanDerWaalsContact O-CB 3.31Å; M418-P490 WeakPolarHBondContact O-CB 3.37Å; M418-P490 HydrophobicContact SD-CG 4.09Å; M418-L493 HydrophobicContact CB-CD1 3.62Å; M418-L493 HydrophobicContact CG-CD1 4.09Å
419	L	92.4	Very high	84.1	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.005	39%	0.394	C	S	.	.	H	α-helix	trans	-67.1	-38.7	175.8	-69.3	171.8	0	0	0	112.2	I415 K416 L421 A422 L423 L445 A448 V449 L493 L494	I415-L419 HydrophobicContact CG2-CD1 3.85Å; I415-L419 HydrophobicContact CG2-CG 4.2Å; I415-L419 WeakPolarHBondContact O-CG 3.4Å; I415-L419 PolarHBondContact O-N 3.46Å; K416-L419 PolarHBondContact O-N 3.48Å; L419-L421 PolarHBondContact O-N 3.36Å; L419-A422 WeakPolarHBondContact O-CB 3.18Å; L419-A422 PolarHBondContact O-N 3Å; L419-L423 WeakPolarHBondContact O-CG 3.31Å; L419-L423 PolarHBondContact O-N 2.97Å; L419-L445 HydrophobicContact CB-CD2 3.49Å; L419-L445 VanDerWaalsContact CB-CD2 3.49Å; L419-A448 HydrophobicContact CD1-CB 3.72Å; L419-V449 HydrophobicContact CD1-CG2 3.7Å; L419-L493 HydrophobicContact CD2-CB 4.04Å; L419-L494 VanDerWaalsContact CD2-CA 3.47Å; L419-L494 HydrophobicContact CD2-CB 3.89Å; L419-L494 HydrophobicContact CD2-CD1 4.24Å
420	E	91.7	Very high	82.2	Confident	62 Å²	62	74.9 Å²	74.9	29%	0.29	41%	0.409	S	S	.	.	H	α-helix	trans	-55.1	-50.8	171.4	-76.8	167	-169.1	0	0	111	K416 K417 A422 L423 Q424 L445	K416-E420 WeakPolarHBondContact O-CG 3.2Å; K416-E420 PolarHBondContact O-N 3.05Å; K417-E420 WeakPolarHBondContact O-CB 3.36Å; K417-E420 PolarHBondContact O-N 3.29Å; E420-A422 VanDerWaalsContact C-N 3.31Å; E420-A422 PolarHBondContact O-N 3.49Å; E420-L423 PolarHBondContact O-N 3.38Å; E420-Q424 WeakPolarHBondContact O-CB 3.25Å; E420-Q424 VanDerWaalsContact O-CG 3.26Å; E420-Q424 WeakPolarHBondContact O-CG 3.4Å; E420-Q424 PolarHBondContact O-N 3.36Å; E420-L445 HydrophobicContact CB-CD1 4.47Å; E420-L445 HydrophobicContact CG-CD1 3.27Å; E420-L445 HydrophobicContact CG-CD2 4.06Å; E420-L445 HydrophobicContact CG-CG 4.31Å
421	L	90.7	Very high	80	Confident	79 Å²	79	74.1 Å²	74.1	41%	0.414	40%	0.399	S	S	.	.	H	α-helix	trans	-60.6	-38.5	176.4	-70.5	171.3	0	0	0	112.5	K417 M418 L419 N425 P490	K417-L421 VanDerWaalsContact O-CG 3.31Å; K417-L421 WeakPolarHBondContact O-CG 3.25Å; K417-L421 PolarHBondContact O-N 3.01Å; M418-L421 PolarHBondContact O-N 2.85Å; M418-L421 HydrophobicContact SD-CD1 4.45Å; L419-L421 PolarHBondContact O-N 3.36Å; L421-N425 WeakPolarHBondContact O-CB 3.49Å; L421-N425 PolarHBondContact O-N 3.25Å; L421-N425 VanDerWaalsContact O-N 3.15Å; L421-N425 PolarHBondContact O-ND2 3.2Å; L421-N425 VanDerWaalsContact O-ND2 3.09Å; L421-P490 HydrophobicContact CB-CB 4.4Å; L421-P490 HydrophobicContact CB-CG 4.49Å
422	A	89.2	Confident	77.7	Confident	6 Å²	6	75.3 Å²	75.3	5%	0.05	41%	0.409	C	S	.	.	H	α-helix	trans	-67.8	-39.4	179.2	0	0	0	0	0	112.7	M418 L419 E420 R426 P490 L494	M418-A422 WeakPolarHBondContact O-CB 3.42Å; M418-A422 PolarHBondContact O-N 3.5Å; L419-A422 WeakPolarHBondContact O-CB 3.18Å; L419-A422 PolarHBondContact O-N 3Å; E420-A422 VanDerWaalsContact C-N 3.31Å; E420-A422 PolarHBondContact O-N 3.49Å; A422-R426 PolarHBondContact O-N 3.44Å; A422-P490 VanDerWaalsContact CB-C 3.48Å; A422-P490 HydrophobicContact CB-CB 3.8Å; A422-P490 VanDerWaalsContact CB-O 3.28Å; A422-P490 WeakPolarHBondContact CB-O 3.44Å; A422-L494 HydrophobicContact CB-CB 3.89Å; A422-L494 HydrophobicContact CB-CD2 3.92Å
423	L	87.3	Confident	75.2	Confident	19 Å²	19	81.3 Å²	81.3	10%	0.099	43%	0.432	C	S	.	.	H	α-helix	trans	-74.2	-37.6	178.4	-71.7	175.2	0	0	0	111.8	L419 E420 N425 R426 F440 L442 L445 L494	L419-L423 WeakPolarHBondContact O-CG 3.31Å; L419-L423 PolarHBondContact O-N 2.97Å; E420-L423 PolarHBondContact O-N 3.38Å; L423-N425 VanDerWaalsContact C-N 3.35Å; L423-R426 WeakPolarHBondContact O-CB 3.47Å; L423-R426 PolarHBondContact O-N 3.47Å; L423-F440 WeakPolarHBondContact CD2-O 3.37Å; L423-L442 HydrophobicContact CB-CG 4.4Å; L423-L442 HydrophobicContact CD1-CG 4.42Å; L423-L445 HydrophobicContact CD1-CD2 3.72Å; L423-L445 HydrophobicContact CD1-CG 4.14Å; L423-L494 HydrophobicContact CD2-CD1 3.9Å; L423-L494 HydrophobicContact CD2-CD2 3.84Å; L423-L494 HydrophobicContact CG-CD1 4.32Å; L423-L494 HydrophobicContact CG-CD2 4.36Å
424	Q	85.3	Confident	72.8	Confident	127 Å²	127	82.7 Å²	82.7	59%	0.593	45%	0.445	S	S	*	.	H	α-helix	trans	-63.7	-39.3	175	-74.1	172.5	2.1	0	0	112.3	E420 R426	E420-Q424 WeakPolarHBondContact O-CB 3.25Å; E420-Q424 VanDerWaalsContact O-CG 3.26Å; E420-Q424 WeakPolarHBondContact O-CG 3.4Å; E420-Q424 PolarHBondContact O-N 3.36Å; Q424-R426 PolarHBondContact O-N 3.47Å
425	N	80.9	Confident	70.2	Confident	134 Å²	134	83.6 Å²	83.6	72%	0.717	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	5.9	177.9	-70	-40.6	0	0	0	113.6	L421 L423 G427	L421-N425 WeakPolarHBondContact O-CB 3.49Å; L421-N425 PolarHBondContact O-N 3.25Å; L421-N425 VanDerWaalsContact O-N 3.15Å; L421-N425 PolarHBondContact O-ND2 3.2Å; L421-N425 VanDerWaalsContact O-ND2 3.09Å; L423-N425 VanDerWaalsContact C-N 3.35Å; N425-G427 PolarHBondContact O-N 3.24Å
426	R	72.7	Confident	68	Low	70 Å²	70	91.1 Å²	91.1	26%	0.264	51%	0.508	S	S	.	.			trans	-72.8	100	178.2	-164.7	179.3	-167.4	-159.9	6.4	108.4	A422 L423 Q424 M439 E498	A422-R426 PolarHBondContact O-N 3.44Å; L423-R426 WeakPolarHBondContact O-CB 3.47Å; L423-R426 PolarHBondContact O-N 3.47Å; Q424-R426 PolarHBondContact O-N 3.47Å; R426-M439 VanDerWaalsContact CZ-SD 3.59Å; R426-M439 PolarHBondContact NH1-SD 2.71Å; R426-M439 PolarHBondContact NH2-SD 3.39Å; R426-E498 IonicContact CZ-OE1 2.7Å; R426-E498 IonicContact NH2-OE1 3.8Å; R426-E498 IonicContact NH2-OE2 3.9Å
427	G	60.5	Low	66.2	Low	55 Å²	55	91.1 Å²	91.1	57%	0.567	51%	0.511	S	S	*	.			trans	-50.8	145.9	177.4	0	0	0	0	0	112	N425 N429	N425-G427 PolarHBondContact O-N 3.24Å; G427-N429 PolarHBondContact O-N 3.34Å
428	E	46.3	Very low	64.8	Low	189 Å²	189	92.9 Å²	92.9	88%	0.883	52%	0.515	S	S	*	.	S	Bend	trans	-59.3	-7.9	-168	-66.8	179	153.6	0	0	115.5	P430	E428-P430 WeakPolarHBondContact O-CD 3.49Å
429	N	45.5	Very low	63.7	Low	149 Å²	149	96.5 Å²	96.5	80%	0.797	53%	0.532	S	S	*	.			trans	-117.7	88.4	-179.8	-69.3	-44.2	0	0	0	111.4	G427 T431	G427-N429 PolarHBondContact O-N 3.34Å; N429-T431 PolarHBondContact O-N 3.26Å; N429-T431 VanDerWaalsContact O-N 3.13Å
430	P	50.5	Low	62.7	Low	74 Å²	74	96.9 Å²	96.9	48%	0.481	53%	0.534	S	S	.	.			trans	-64.2	112.5	163.1	25.8	-29.2	0	0	0	107.9	E428 P432	E428-P430 WeakPolarHBondContact O-CD 3.49Å; P430-P432 WeakPolarHBondContact O-CD 3.35Å
431	T	43.9	Very low	62	Low	112 Å²	112	100.4 Å²	100.4	69%	0.687	55%	0.548	S	S	*	.			trans	-55.8	126	167.2	42.6	0	0	0	0	108.2	N429 E433	N429-T431 PolarHBondContact O-N 3.26Å; N429-T431 VanDerWaalsContact O-N 3.13Å; T431-E433 PolarHBondContact O-N 3.4Å
432	P	41.1	Very low	61.2	Low	129 Å²	129	101 Å²	101	84%	0.838	55%	0.551	S	S	*	*	S	Bend	trans	-62.9	6.8	-177.6	-22.4	32.5	0	0	0	115.9	P430 A434	P430-P432 WeakPolarHBondContact O-CD 3.35Å; P432-A434 VanDerWaalsContact C-N 3.27Å; P432-A434 PolarHBondContact O-N 3.05Å
433	E	41.3	Very low	60.6	Low	179 Å²	179	108 Å²	108	84%	0.836	59%	0.588	S	S	*	*			trans	-82.1	65.8	-179	-64.5	-173.2	169.3	0	0	111.8	T431	T431-E433 PolarHBondContact O-N 3.4Å
434	A	40.8	Very low	60.4	Low	58 Å²	58	110.1 Å²	110.1	48%	0.479	60%	0.599	S	S	.	*			trans	-170.5	66.2	156.5	0	0	0	0	0	110.2	P432 L436	P432-A434 VanDerWaalsContact C-N 3.27Å; P432-A434 PolarHBondContact O-N 3.05Å; A434-L436 PolarHBondContact O-N 2.83Å
435	G	39.7	Very low	60.4	Low	79 Å²	79	104.6 Å²	104.6	81%	0.814	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	40.9	177.1	0	0	0	0	0	115.4
436	L	47.9	Very low	60.8	Low	158 Å²	158	102.2 Å²	102.2	83%	0.827	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.7	1	176.1	-136	80.6	0	0	0	115.2	A434	A434-L436 PolarHBondContact O-N 2.83Å
437	N	56.4	Low	61.6	Low	69 Å²	69	103.4 Å²	103.4	37%	0.369	57%	0.566	S	S	.	*	S	Bend	trans	-135.2	140.7	-162.6	-85	-30.6	0	0	0	114.1	M439 E498 K499	N437-M439 PolarHBondContact O-N 2.9Å; N437-E498 WeakPolarHBondContact CB-O 3.46Å; N437-E498 PolarHBondContact OD1-O 2.98Å; N437-K499 VanDerWaalsContact ND2-CA 3.35Å; N437-K499 WeakPolarHBondContact ND2-CA 3.35Å; N437-K499 PolarHBondContact ND2-O 3.32Å
438	R	63.1	Low	63	Low	172 Å²	172	100.9 Å²	100.9	65%	0.649	54%	0.54	S	S	*	.			trans	-65	130	-176.8	-73.7	-179.7	-178	158.3	2.1	109.8	F440 Y447 E498	R438-F440 HydrophobicContact CB-CE2 4.42Å; R438-Y447 PolarHBondContact NH1-OH 3.14Å; R438-E498 WeakPolarHBondContact O-CG 3.24Å
439	M	70.5	Confident	65.2	Low	106 Å²	106	92 Å²	92	52%	0.522	50%	0.499	S	S	.	.			trans	-96.9	109.7	178.6	-174.9	158.4	80.4	0	0	109.1	R426 N437	R426-M439 VanDerWaalsContact CZ-SD 3.59Å; R426-M439 PolarHBondContact NH1-SD 2.71Å; R426-M439 PolarHBondContact NH2-SD 3.39Å; N437-M439 PolarHBondContact O-N 2.9Å
440	F	71.7	Confident	67.4	Low	8 Å²	8	87.1 Å²	87.1	4%	0.035	47%	0.473	C	S	.	.			trans	-77.7	140.7	-178.5	-70.5	-101.1	0	0	0	110.3	L423 R438 D444 Y447 A448 L494 A497 E498	L423-F440 WeakPolarHBondContact CD2-O 3.37Å; R438-F440 HydrophobicContact CB-CE2 4.42Å; F440-D444 HydrophobicContact CB-CB 4.2Å; F440-D444 HydrophobicContact CD1-CB 3.54Å; F440-D444 HydrophobicContact CE1-CB 4.44Å; F440-D444 HydrophobicContact CG-CB 4.28Å; F440-Y447 HydrophobicContact CD1-CD1 4.4Å; F440-Y447 AromaticContact CE1-CD1 3.42Å; F440-Y447 HydrophobicContact CE1-CD1 3.42Å; F440-Y447 VanDerWaalsContact CE1-CD1 3.42Å; F440-Y447 HydrophobicContact CE1-CE1 4.1Å; F440-Y447 HydrophobicContact CE1-CG 4.3Å; F440-Y447 AromaticContact CZ-CD1 3.96Å; F440-Y447 HydrophobicContact CZ-CD1 3.96Å; F440-Y447 HydrophobicContact CZ-CE1 4.18Å; F440-A448 HydrophobicContact CD1-CB 3.5Å; F440-A448 HydrophobicContact CE1-CB 3.5Å; F440-A448 VanDerWaalsContact CE1-CB 3.5Å; F440-A448 HydrophobicContact CG-CB 4.11Å; F440-A448 HydrophobicContact CZ-CB 4.16Å; F440-L494 HydrophobicContact CB-CD1 4.49Å; F440-A497 HydrophobicContact CE2-CB 3.99Å; F440-A497 WeakPolarHBondContact CE2-O 3.29Å; F440-A497 HydrophobicContact CZ-CB 4.23Å; F440-E498 HydrophobicContact CD2-CG 3.58Å; F440-E498 HydrophobicContact CE2-CG 4.16Å; F440-E498 PolarHBondContact N-OE1 2.88Å; F440-E498 VanDerWaalsContact N-OE1 3.11Å
441	K	77.1	Confident	69.3	Low	136 Å²	136	84 Å²	84	59%	0.591	45%	0.453	S	S	*	.			trans	-102.5	172.7	166.5	-62.3	-178.9	-177.3	178	0	109.7	D443 D444	K441-D443 PolarHBondContact O-N 3.28Å; K441-D444 PolarHBondContact N-OD2 2.94Å; K441-D444 PolarHBondContact O-N 2.96Å
442	L	73.5	Confident	71.5	Confident	92 Å²	92	78.8 Å²	78.8	48%	0.482	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-55.1	-33.2	174.6	-83.5	141.3	0	0	0	112	L423 D444 L445	L423-L442 HydrophobicContact CB-CG 4.4Å; L423-L442 HydrophobicContact CD1-CG 4.42Å; L442-D444 PolarHBondContact O-N 3.22Å; L442-L445 HydrophobicContact CD2-CD1 4.24Å; L442-L445 WeakPolarHBondContact O-CD1 3.43Å; L442-L445 WeakPolarHBondContact O-CG 3.47Å; L442-L445 PolarHBondContact O-N 3.13Å
443	D	76.1	Confident	74	Confident	153 Å²	153	73.8 Å²	73.8	82%	0.818	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-70.3	-19.1	178.1	-56	-32.8	0	0	0	113.1	K441	K441-D443 PolarHBondContact O-N 3.28Å
444	D	83	Confident	76.5	Confident	63 Å²	63	72.9 Å²	72.9	34%	0.337	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-95.6	8.3	-177.3	-53.5	-55.4	0	0	0	112.9	F440 K441 L442 D446 Y447 A448	F440-D444 HydrophobicContact CB-CB 4.2Å; F440-D444 HydrophobicContact CD1-CB 3.54Å; F440-D444 HydrophobicContact CE1-CB 4.44Å; F440-D444 HydrophobicContact CG-CB 4.28Å; K441-D444 PolarHBondContact N-OD2 2.94Å; K441-D444 PolarHBondContact O-N 2.96Å; L442-D444 PolarHBondContact O-N 3.22Å; D444-D446 VanDerWaalsContact C-N 3.35Å; D444-D446 PolarHBondContact O-N 3.41Å; D444-Y447 WeakPolarHBondContact O-CB 3.25Å; D444-Y447 PolarHBondContact O-N 2.82Å; D444-Y447 VanDerWaalsContact O-N 3.11Å; D444-A448 PolarHBondContact O-N 2.93Å
445	L	86.5	Confident	78.9	Confident	11 Å²	11	73 Å²	73	6%	0.058	37%	0.367	C	S	.	.	H	α-helix	trans	-56.3	-44.4	-174.4	-82	167.6	0	0	0	113.3	L419 E420 L423 L442 Y447 A448 V449	L419-L445 HydrophobicContact CB-CD2 3.49Å; L419-L445 VanDerWaalsContact CB-CD2 3.49Å; E420-L445 HydrophobicContact CB-CD1 4.47Å; E420-L445 HydrophobicContact CG-CD1 3.27Å; E420-L445 HydrophobicContact CG-CD2 4.06Å; E420-L445 HydrophobicContact CG-CG 4.31Å; L423-L445 HydrophobicContact CD1-CD2 3.72Å; L423-L445 HydrophobicContact CD1-CG 4.14Å; L442-L445 HydrophobicContact CD2-CD1 4.24Å; L442-L445 WeakPolarHBondContact O-CD1 3.43Å; L442-L445 WeakPolarHBondContact O-CG 3.47Å; L442-L445 PolarHBondContact O-N 3.13Å; L445-Y447 VanDerWaalsContact C-N 3.3Å; L445-Y447 PolarHBondContact O-N 2.95Å; L445-A448 WeakPolarHBondContact O-CB 3.42Å; L445-A448 PolarHBondContact O-N 3.22Å; L445-V449 VanDerWaalsContact O-CG2 3.25Å; L445-V449 WeakPolarHBondContact O-CG2 3.27Å; L445-V449 PolarHBondContact O-N 2.91Å
446	D	89	Confident	81.5	Confident	84 Å²	84	69.9 Å²	69.9	45%	0.449	33%	0.334	S	S	.	.	H	α-helix	trans	-66.3	-36	-179.7	-71.5	-42.4	0	0	0	111.3	K416 D444 D450	K416-D446 WeakPolarHBondContact CE-OD1 3.43Å; K416-D446 VanDerWaalsContact NZ-CG 3.3Å; K416-D446 IonicContact NZ-OD1 2.75Å; K416-D446 PolarHBondContact NZ-OD1 3.06Å; K416-D446 IonicContact NZ-OD2 3.12Å; K416-D446 PolarHBondContact NZ-OD2 3.2Å; K416-D446 VanDerWaalsContact NZ-OD2 3.12Å; D444-D446 VanDerWaalsContact C-N 3.35Å; D444-D446 PolarHBondContact O-N 3.41Å; D446-D450 WeakPolarHBondContact O-CB 3.41Å; D446-D450 VanDerWaalsContact O-CG 3.23Å; D446-D450 PolarHBondContact O-N 3.15Å
447	Y	89.4	Confident	83.5	Confident	95 Å²	95	69.1 Å²	69.1	37%	0.373	33%	0.33	S	S	.	.	H	α-helix	trans	-67.2	-38.6	173.4	-173.4	-111.4	0	0	0	111.8	R438 F440 D444 L445 D450 T451	R438-Y447 PolarHBondContact NH1-OH 3.14Å; F440-Y447 HydrophobicContact CD1-CD1 4.4Å; F440-Y447 AromaticContact CE1-CD1 3.42Å; F440-Y447 HydrophobicContact CE1-CD1 3.42Å; F440-Y447 VanDerWaalsContact CE1-CD1 3.42Å; F440-Y447 HydrophobicContact CE1-CE1 4.1Å; F440-Y447 HydrophobicContact CE1-CG 4.3Å; F440-Y447 AromaticContact CZ-CD1 3.96Å; F440-Y447 HydrophobicContact CZ-CD1 3.96Å; F440-Y447 HydrophobicContact CZ-CE1 4.18Å; D444-Y447 WeakPolarHBondContact O-CB 3.25Å; D444-Y447 PolarHBondContact O-N 2.82Å; D444-Y447 VanDerWaalsContact O-N 3.11Å; L445-Y447 VanDerWaalsContact C-N 3.3Å; L445-Y447 PolarHBondContact O-N 2.95Å; Y447-D450 PolarHBondContact O-N 2.74Å; Y447-T451 WeakPolarHBondContact O-CB 3.46Å; Y447-T451 PolarHBondContact O-N 2.82Å; Y447-T451 PolarHBondContact O-OG1 3.4Å
448	A	89.4	Confident	85.3	Confident	2 Å²	2	67.9 Å²	67.9	2%	0.017	32%	0.323	C	S	.	.	H	α-helix	trans	-64.3	-46	176.3	0	0	0	0	0	111.6	L419 F440 D444 L445 D450 T451 V452 A497	L419-A448 HydrophobicContact CD1-CB 3.72Å; F440-A448 HydrophobicContact CD1-CB 3.5Å; F440-A448 HydrophobicContact CE1-CB 3.5Å; F440-A448 VanDerWaalsContact CE1-CB 3.5Å; F440-A448 HydrophobicContact CG-CB 4.11Å; F440-A448 HydrophobicContact CZ-CB 4.16Å; D444-A448 PolarHBondContact O-N 2.93Å; L445-A448 WeakPolarHBondContact O-CB 3.42Å; L445-A448 PolarHBondContact O-N 3.22Å; A448-D450 VanDerWaalsContact C-N 3.35Å; A448-T451 WeakPolarHBondContact O-CB 3.47Å; A448-T451 PolarHBondContact O-N 3.44Å; A448-V452 PolarHBondContact O-N 3.27Å; A448-A497 HydrophobicContact CB-CB 4.17Å
449	V	92.1	Very high	86.9	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-60	-48	175.8	176.2	0	0	0	0	110	I415 K416 L419 L445 T451 V452 A453 K470	I415-V449 HydrophobicContact CG2-CG1 4.47Å; I415-V449 HydrophobicContact CG2-CG2 4.18Å; K416-V449 HydrophobicContact CB-CG2 3.84Å; K416-V449 HydrophobicContact CG-CG2 4.31Å; L419-V449 HydrophobicContact CD1-CG2 3.7Å; L445-V449 VanDerWaalsContact O-CG2 3.25Å; L445-V449 WeakPolarHBondContact O-CG2 3.27Å; L445-V449 PolarHBondContact O-N 2.91Å; V449-T451 VanDerWaalsContact C-N 3.29Å; V449-T451 PolarHBondContact O-N 3.45Å; V449-V452 PolarHBondContact O-N 3.49Å; V449-A453 WeakPolarHBondContact O-CB 3.31Å; V449-A453 PolarHBondContact O-N 3.19Å; V449-K470 HydrophobicContact CG1-CB 3.81Å; V449-K470 HydrophobicContact CG1-CD 3.69Å; V449-K470 HydrophobicContact CG1-CG 3.85Å
450	D	92.1	Very high	88.1	Confident	48 Å²	48	60.4 Å²	60.4	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-65.2	-33.3	179.9	-75.5	-2.4	0	0	0	112.4	D446 Y447 A448 V452 A453 R454 K470	D446-D450 WeakPolarHBondContact O-CB 3.41Å; D446-D450 VanDerWaalsContact O-CG 3.23Å; D446-D450 PolarHBondContact O-N 3.15Å; Y447-D450 PolarHBondContact O-N 2.74Å; A448-D450 VanDerWaalsContact C-N 3.35Å; D450-V452 VanDerWaalsContact C-N 3.35Å; D450-V452 PolarHBondContact O-N 3.1Å; D450-A453 PolarHBondContact O-N 3.28Å; D450-R454 WeakPolarHBondContact O-CB 3.39Å; D450-R454 WeakPolarHBondContact O-CG 3.36Å; D450-R454 PolarHBondContact O-N 2.81Å; D450-K470 WeakPolarHBondContact OD1-CE 3.29Å; D450-K470 IonicContact OD1-NZ 3.88Å; D450-K470 PolarHBondContact OD1-NZ 3.02Å
451	T	90.8	Very high	89	Confident	9 Å²	9	63.1 Å²	63.1	6%	0.055	30%	0.304	C	S	.	.	H	α-helix	trans	-58.7	-47	176	-63.7	0	0	0	0	110.5	Y447 A448 V449 R455	Y447-T451 WeakPolarHBondContact O-CB 3.46Å; Y447-T451 PolarHBondContact O-N 2.82Å; Y447-T451 PolarHBondContact O-OG1 3.4Å; A448-T451 WeakPolarHBondContact O-CB 3.47Å; A448-T451 PolarHBondContact O-N 3.44Å; V449-T451 VanDerWaalsContact C-N 3.29Å; V449-T451 PolarHBondContact O-N 3.45Å; T451-R455 VanDerWaalsContact CG2-NH1 3.26Å; T451-R455 PolarHBondContact O-NH1 3.37Å
452	V	90.5	Very high	89.8	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-78	-41.4	178.9	-168.5	0	0	0	0	111.1	A448 V449 D450 R454 R455 L459 I467 L496 A497	A448-V452 PolarHBondContact O-N 3.27Å; V449-V452 PolarHBondContact O-N 3.49Å; D450-V452 VanDerWaalsContact C-N 3.35Å; D450-V452 PolarHBondContact O-N 3.1Å; V452-R454 PolarHBondContact O-N 3.42Å; V452-R455 PolarHBondContact O-N 2.92Å; V452-R455 VanDerWaalsContact O-N 3.15Å; V452-L459 HydrophobicContact CG1-CD1 3.97Å; V452-I467 HydrophobicContact CB-CD1 4.42Å; V452-I467 HydrophobicContact CG1-CD1 3.54Å; V452-L496 HydrophobicContact CG2-CB 4.45Å; V452-A497 HydrophobicContact CG2-CB 4.07Å
453	A	92.6	Very high	90.8	Very high	24 Å²	24	55.2 Å²	55.2	20%	0.198	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-34.1	-175.3	0	0	0	0	0	113.8	V449 D450 R455 A456 K470	V449-A453 WeakPolarHBondContact O-CB 3.31Å; V449-A453 PolarHBondContact O-N 3.19Å; D450-A453 PolarHBondContact O-N 3.28Å; A453-R455 PolarHBondContact O-N 3.48Å; A453-A456 VanDerWaalsContact O-CB 3.32Å; A453-A456 WeakPolarHBondContact O-CB 3.36Å; A453-A456 PolarHBondContact O-N 2.83Å; A453-K470 HydrophobicContact CB-CG 4.45Å
454	R	93.4	Very high	91.7	Very high	160 Å²	160	48.2 Å²	48.2	60%	0.604	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.1	175.4	-76.3	178.1	-145.5	158.4	6.8	113.7	D450 V452	D450-R454 WeakPolarHBondContact O-CB 3.39Å; D450-R454 WeakPolarHBondContact O-CG 3.36Å; D450-R454 PolarHBondContact O-N 2.81Å; V452-R454 PolarHBondContact O-N 3.42Å
455	R	92.8	Very high	92.3	Very high	61 Å²	61	45.2 Å²	45.2	23%	0.23	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	10.7	-174.9	-61.4	168.5	174.7	108.7	-6.5	112	T451 V452 A453 D457 M458 L459 W502	T451-R455 VanDerWaalsContact CG2-NH1 3.26Å; T451-R455 PolarHBondContact O-NH1 3.37Å; V452-R455 PolarHBondContact O-N 2.92Å; V452-R455 VanDerWaalsContact O-N 3.15Å; A453-R455 PolarHBondContact O-N 3.48Å; R455-D457 VanDerWaalsContact C-N 3.33Å; R455-D457 PolarHBondContact O-N 3.2Å; R455-M458 HydrophobicContact CB-CE 4.35Å; R455-M458 PolarHBondContact O-N 3.12Å; R455-L459 HydrophobicContact CB-CD1 4.41Å; R455-L459 HydrophobicContact CB-CG 4.44Å; R455-L459 WeakPolarHBondContact O-CB 3.04Å; R455-L459 WeakPolarHBondContact O-CG 3.44Å; R455-L459 PolarHBondContact O-N 2.78Å; R455-W502 VanDerWaalsContact CD-CD2 3.44Å
456	A	93	Very high	92.8	Very high	14 Å²	14	46 Å²	46	12%	0.116	22%	0.215	C	C	.	.	H	α-helix	trans	-52.3	-46	-176	0	0	0	0	0	113.2	A453 M458 L459 W460 I467	A453-A456 VanDerWaalsContact O-CB 3.32Å; A453-A456 WeakPolarHBondContact O-CB 3.36Å; A453-A456 PolarHBondContact O-N 2.83Å; A456-M458 PolarHBondContact O-N 3.21Å; A456-L459 PolarHBondContact O-N 3.23Å; A456-W460 WeakPolarHBondContact O-CB 3.41Å; A456-W460 PolarHBondContact O-N 3.45Å; A456-I467 HydrophobicContact CB-CB 3.9Å
457	D	91.5	Very high	93.1	Very high	141 Å²	141	42.8 Å²	42.8	75%	0.754	20%	0.198	S	C	*	.	H	α-helix	trans	-62.7	-44.1	-178.1	-65.6	-20.5	0	0	0	112.2	R455 W460 D461	R455-D457 VanDerWaalsContact C-N 3.33Å; R455-D457 PolarHBondContact O-N 3.2Å; D457-W460 PolarHBondContact O-N 3.25Å; D457-D461 WeakPolarHBondContact O-CB 3.5Å; D457-D461 PolarHBondContact O-N 2.86Å
458	M	94.3	Very high	93.3	Very high	44 Å²	44	41.4 Å²	41.4	22%	0.217	20%	0.199	C	C	.	.	H	α-helix	trans	-66.4	-44.1	177.4	179.3	-82.2	-72.6	0	0	111.2	R455 A456 W460 D461 Y462 F463 W502 Y509	R455-M458 HydrophobicContact CB-CE 4.35Å; R455-M458 PolarHBondContact O-N 3.12Å; A456-M458 PolarHBondContact O-N 3.21Å; M458-W460 VanDerWaalsContact C-N 3.3Å; M458-W460 PolarHBondContact O-N 3.37Å; M458-D461 PolarHBondContact O-N 3.32Å; M458-Y462 HydrophobicContact CG-CD2 3.52Å; M458-Y462 HydrophobicContact CG-CE2 3.57Å; M458-Y462 HydrophobicContact CG-CG 4.42Å; M458-Y462 WeakPolarHBondContact O-CB 3.29Å; M458-Y462 PolarHBondContact O-N 2.63Å; M458-Y462 HydrophobicContact SD-CD2 3.64Å; M458-Y462 HydrophobicContact SD-CE2 4.24Å; M458-Y462 HydrophobicContact SD-CG 4.47Å; M458-F463 HydrophobicContact SD-CD2 4.48Å; M458-F463 HydrophobicContact SD-CE2 4.2Å; M458-W502 HydrophobicContact CE-CE3 4.33Å; M458-W502 HydrophobicContact CE-CZ3 3.8Å; M458-Y509 HydrophobicContact SD-CE1 4.49Å
459	L	95.6	Very high	93.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-37.9	178.7	-72.4	178.9	0	0	0	112.1	V452 R455 A456 F463 A464 F465 I467 W502 F512	V452-L459 HydrophobicContact CG1-CD1 3.97Å; R455-L459 HydrophobicContact CB-CD1 4.41Å; R455-L459 HydrophobicContact CB-CG 4.44Å; R455-L459 WeakPolarHBondContact O-CB 3.04Å; R455-L459 WeakPolarHBondContact O-CG 3.44Å; R455-L459 PolarHBondContact O-N 2.78Å; A456-L459 PolarHBondContact O-N 3.23Å; L459-F463 HydrophobicContact CD2-CD2 4.14Å; L459-F463 CarbonylContact O-C 3.57Å; L459-F463 WeakPolarHBondContact O-CA 3.33Å; L459-F463 WeakPolarHBondContact O-CB 3.45Å; L459-F463 PolarHBondContact O-N 3.12Å; L459-A464 PolarHBondContact O-N 3.27Å; L459-F465 CarbonylContact C-O 3.57Å; L459-F465 HydrophobicContact CB-CB 4.19Å; L459-F465 HydrophobicContact CB-CD1 4.18Å; L459-F465 HydrophobicContact CD1-CD1 3.99Å; L459-F465 HydrophobicContact CD1-CE1 4.4Å; L459-F465 PolarHBondContact O-N 3.25Å; L459-F465 VanDerWaalsContact O-N 3.09Å; L459-I467 HydrophobicContact CD1-CD1 4.25Å; L459-W502 HydrophobicContact CD1-CH2 4.34Å; L459-W502 HydrophobicContact CD2-CH2 4.09Å; L459-W502 HydrophobicContact CD2-CZ3 4.25Å; L459-F512 HydrophobicContact CD2-CD2 3.79Å; L459-F512 HydrophobicContact CD2-CE1 4.5Å; L459-F512 HydrophobicContact CD2-CE2 3.32Å; L459-F512 HydrophobicContact CD2-CZ 3.74Å
460	W	94.8	Very high	93.4	Very high	120 Å²	120	52.8 Å²	52.8	46%	0.455	26%	0.255	S	S	.	.	H	α-helix	trans	-66.9	-52.4	173.7	172.4	-121.9	0	0	0	111.8	A406 A456 D457 M458 Y462 A464 F465 E466	A406-W460 HydrophobicContact CB-CZ3 4.1Å; A456-W460 WeakPolarHBondContact O-CB 3.41Å; A456-W460 PolarHBondContact O-N 3.45Å; D457-W460 PolarHBondContact O-N 3.25Å; M458-W460 VanDerWaalsContact C-N 3.3Å; M458-W460 PolarHBondContact O-N 3.37Å; W460-Y462 PolarHBondContact O-N 3.42Å; W460-A464 HydrophobicContact CE3-CB 4.47Å; W460-A464 HydrophobicContact CZ3-CB 4.15Å; W460-A464 VanDerWaalsContact O-CA 3.28Å; W460-A464 WeakPolarHBondContact O-CA 3.45Å; W460-A464 PolarHBondContact O-N 3.26Å; W460-F465 PolarHBondContact N-O 3.33Å; W460-E466 HydrophobicContact CD2-CB 4.31Å; W460-E466 HydrophobicContact CD2-CG 4.45Å; W460-E466 HydrophobicContact CE3-CB 3.68Å; W460-E466 HydrophobicContact CE3-CG 4.25Å; W460-E466 HydrophobicContact CZ3-CB 4.14Å
461	D	90.7	Very high	93.5	Very high	65 Å²	65	54 Å²	54	35%	0.348	26%	0.259	S	S	.	.	H	α-helix	trans	-65.4	-39.2	-174.8	-167.5	41.9	0	0	0	112.6	R332 D457 M458	R332-D461 IonicContact CZ-OD1 3.91Å; R332-D461 IonicContact NH1-OD1 2.71Å; R332-D461 PolarHBondContact NH1-OD1 3.04Å; R332-D461 IonicContact NH1-OD2 3.12Å; R332-D461 IonicContact NH2-OD1 2.72Å; D457-D461 WeakPolarHBondContact O-CB 3.5Å; D457-D461 PolarHBondContact O-N 2.86Å; M458-D461 PolarHBondContact O-N 3.32Å
462	Y	94.5	Very high	93.8	Very high	61 Å²	61	53.6 Å²	53.6	24%	0.239	26%	0.257	C	S	.	.	H	α-helix	trans	-93.7	-32.1	-174.1	-62.4	-12.9	0	0	0	113.9	F401 G402 M458 W460 Y509	F401-Y462 AromaticContact CE1-CD1 3.85Å; F401-Y462 HydrophobicContact CE1-CD1 3.85Å; F401-Y462 AromaticContact CE1-CD2 3.96Å; F401-Y462 HydrophobicContact CE1-CD2 3.96Å; F401-Y462 HydrophobicContact CE1-CE1 4.42Å; F401-Y462 HydrophobicContact CE1-CE2 4.48Å; F401-Y462 AromaticContact CE1-CG 3.62Å; F401-Y462 HydrophobicContact CE1-CG 3.62Å; F401-Y462 HydrophobicContact CE2-CD2 4.25Å; F401-Y462 HydrophobicContact CE2-CG 4.27Å; F401-Y462 HydrophobicContact CZ-CD1 4.13Å; F401-Y462 AromaticContact CZ-CD2 3.38Å; F401-Y462 HydrophobicContact CZ-CD2 3.38Å; F401-Y462 HydrophobicContact CZ-CE2 4.06Å; F401-Y462 AromaticContact CZ-CG 3.43Å; F401-Y462 HydrophobicContact CZ-CG 3.43Å; F401-Y462 VanDerWaalsContact CZ-CG 3.43Å; G402-Y462 WeakPolarHBondContact CA-O 3.25Å; G402-Y462 PolarHBondContact N-O 3.32Å; M458-Y462 HydrophobicContact CG-CD2 3.52Å; M458-Y462 HydrophobicContact CG-CE2 3.57Å; M458-Y462 HydrophobicContact CG-CG 4.42Å; M458-Y462 WeakPolarHBondContact O-CB 3.29Å; M458-Y462 PolarHBondContact O-N 2.63Å; M458-Y462 HydrophobicContact SD-CD2 3.64Å; M458-Y462 HydrophobicContact SD-CE2 4.24Å; M458-Y462 HydrophobicContact SD-CG 4.47Å; W460-Y462 PolarHBondContact O-N 3.42Å; Y462-Y509 AromaticContact CD2-CE1 3.83Å; Y462-Y509 HydrophobicContact CD2-CE1 3.83Å; Y462-Y509 HydrophobicContact CE2-CE1 4.03Å; Y462-Y509 WeakPolarHBondContact CE2-OH 3.43Å
463	F	95.3	Very high	94	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-126.9	5.2	-171	-57.5	-75.2	0	0	0	114	T397 F401 M458 L459 F465 P476 Y509 F512	T397-F463 HydrophobicContact CG2-CD1 3.69Å; T397-F463 HydrophobicContact CG2-CE1 3.79Å; F401-F463 AromaticContact CD2-CE1 3.72Å; F401-F463 HydrophobicContact CD2-CE1 3.72Å; F401-F463 AromaticContact CD2-CZ 3.82Å; F401-F463 HydrophobicContact CD2-CZ 3.82Å; F401-F463 AromaticContact CE2-CE1 3.89Å; F401-F463 HydrophobicContact CE2-CE1 3.89Å; F401-F463 HydrophobicContact CE2-CE2 4.1Å; F401-F463 AromaticContact CE2-CZ 3.48Å; F401-F463 HydrophobicContact CE2-CZ 3.48Å; F401-F463 VanDerWaalsContact CE2-CZ 3.48Å; M458-F463 HydrophobicContact SD-CD2 4.48Å; M458-F463 HydrophobicContact SD-CE2 4.2Å; L459-F463 HydrophobicContact CD2-CD2 4.14Å; L459-F463 CarbonylContact O-C 3.57Å; L459-F463 WeakPolarHBondContact O-CA 3.33Å; L459-F463 WeakPolarHBondContact O-CB 3.45Å; L459-F463 PolarHBondContact O-N 3.12Å; F463-F465 HydrophobicContact CB-CB 4.4Å; F463-F465 PolarHBondContact O-N 3.09Å; F463-F465 VanDerWaalsContact O-N 3.16Å; F463-P476 WeakPolarHBondContact O-CB 3.28Å; F463-P476 WeakPolarHBondContact O-CG 3.36Å; F463-Y509 HydrophobicContact CE2-CD1 4.27Å; F463-Y509 HydrophobicContact CZ-CD1 4.08Å; F463-F512 HydrophobicContact CB-CE1 3.7Å; F463-F512 HydrophobicContact CB-CZ 4.14Å; F463-F512 AromaticContact CD1-CD1 3.8Å; F463-F512 HydrophobicContact CD1-CD1 3.8Å; F463-F512 AromaticContact CD1-CE1 3.61Å; F463-F512 HydrophobicContact CD1-CE1 3.61Å; F463-F512 AromaticContact CD2-CD1 3.77Å; F463-F512 HydrophobicContact CD2-CD1 3.77Å; F463-F512 AromaticContact CD2-CE1 3.57Å; F463-F512 HydrophobicContact CD2-CE1 3.57Å; F463-F512 HydrophobicContact CD2-CZ 4.16Å; F463-F512 AromaticContact CE1-CD1 3.73Å; F463-F512 HydrophobicContact CE1-CD1 3.73Å; F463-F512 HydrophobicContact CE1-CE1 4.05Å; F463-F512 AromaticContact CE2-CD1 3.7Å; F463-F512 HydrophobicContact CE2-CD1 3.7Å; F463-F512 HydrophobicContact CE2-CE1 4.02Å; F463-F512 HydrophobicContact CE2-CG 4.24Å; F463-F512 AromaticContact CG-CD1 3.81Å; F463-F512 HydrophobicContact CG-CD1 3.81Å; F463-F512 AromaticContact CG-CE1 3.33Å; F463-F512 HydrophobicContact CG-CE1 3.33Å; F463-F512 HydrophobicContact CG-CZ 4.12Å; F463-F512 AromaticContact CZ-CD1 3.66Å; F463-F512 HydrophobicContact CZ-CD1 3.66Å; F463-F512 HydrophobicContact CZ-CE1 4.23Å; F463-F512 HydrophobicContact CZ-CG 4.39Å
464	A	94.4	Very high	94.2	Very high	7 Å²	7	53.3 Å²	53.3	6%	0.058	25%	0.252	C	S	.	.			trans	52.7	34.8	-175.8	0	0	0	0	0	112.7	H404 A406 L459 W460 S474 I475	H404-A464 HydrophobicContact CB-CB 3.8Å; A406-A464 HydrophobicContact CB-CB 4.04Å; L459-A464 PolarHBondContact O-N 3.27Å; W460-A464 HydrophobicContact CE3-CB 4.47Å; W460-A464 HydrophobicContact CZ3-CB 4.15Å; W460-A464 VanDerWaalsContact O-CA 3.28Å; W460-A464 WeakPolarHBondContact O-CA 3.45Å; W460-A464 PolarHBondContact O-N 3.26Å; A464-S474 PolarHBondContact O-OG 3.24Å; A464-I475 CarbonylContact O-C 3.55Å
465	F	95.9	Very high	94.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.224	C	C	.	.			trans	-106.3	92.5	179	-170.7	-87	0	0	0	109	L459 W460 F463 I467 L472 I475 Y492 L493 L496	L459-F465 CarbonylContact C-O 3.57Å; L459-F465 HydrophobicContact CB-CB 4.19Å; L459-F465 HydrophobicContact CB-CD1 4.18Å; L459-F465 HydrophobicContact CD1-CD1 3.99Å; L459-F465 HydrophobicContact CD1-CE1 4.4Å; L459-F465 PolarHBondContact O-N 3.25Å; L459-F465 VanDerWaalsContact O-N 3.09Å; W460-F465 PolarHBondContact N-O 3.33Å; F463-F465 HydrophobicContact CB-CB 4.4Å; F463-F465 PolarHBondContact O-N 3.09Å; F463-F465 VanDerWaalsContact O-N 3.16Å; F465-I467 HydrophobicContact CD1-CD1 4.24Å; F465-I467 HydrophobicContact CD1-CG1 4.15Å; F465-I467 HydrophobicContact CE1-CD1 3.89Å; F465-I467 HydrophobicContact CE1-CG1 3.97Å; F465-L472 HydrophobicContact CD1-CD1 4.04Å; F465-L472 HydrophobicContact CD2-CD1 4.31Å; F465-L472 HydrophobicContact CE1-CD1 3.45Å; F465-L472 VanDerWaalsContact CE1-CD1 3.45Å; F465-L472 HydrophobicContact CE2-CD1 3.74Å; F465-L472 HydrophobicContact CE2-CD2 4.48Å; F465-L472 HydrophobicContact CG-CD1 4.45Å; F465-L472 HydrophobicContact CZ-CD1 3.29Å; F465-L472 HydrophobicContact CZ-CD2 4.26Å; F465-L472 HydrophobicContact CZ-CG 4.42Å; F465-I475 HydrophobicContact CD2-CB 4.48Å; F465-I475 HydrophobicContact CD2-CG2 4.02Å; F465-I475 HydrophobicContact CE2-CG2 3.78Å; F465-Y492 AromaticContact CE2-CE1 3.72Å; F465-Y492 HydrophobicContact CE2-CE1 3.72Å; F465-Y492 HydrophobicContact CZ-CE1 4.34Å; F465-L493 HydrophobicContact CZ-CD2 3.86Å; F465-L496 HydrophobicContact CE1-CD1 4.31Å; F465-L496 HydrophobicContact CE2-CD1 4.44Å; F465-L496 HydrophobicContact CZ-CD1 3.92Å
466	E	96.3	Very high	94.4	Very high	28 Å²	28	42.8 Å²	42.8	13%	0.131	21%	0.213	C	C	.	.			trans	-89.8	125.6	-170.4	-168.9	-177.3	-171.7	0	0	111.7	R408 W460 V468 V473 S474	R408-E466 IonicContact CZ-OE1 2.72Å; R408-E466 IonicContact CZ-OE2 3.1Å; R408-E466 IonicContact NE-OE2 3.63Å; R408-E466 PolarHBondContact NE-OE2 2.9Å; R408-E466 IonicContact NH2-OE1 2.76Å; R408-E466 PolarHBondContact NH2-OE1 2.96Å; R408-E466 IonicContact NH2-OE2 3.75Å; R408-E466 PolarHBondContact NH2-OE2 3.26Å; W460-E466 HydrophobicContact CD2-CB 4.31Å; W460-E466 HydrophobicContact CD2-CG 4.45Å; W460-E466 HydrophobicContact CE3-CB 3.68Å; W460-E466 HydrophobicContact CE3-CG 4.25Å; W460-E466 HydrophobicContact CZ3-CB 4.14Å; E466-V468 HydrophobicContact CG-CG2 4.06Å; E466-V473 HydrophobicContact CB-CB 4.13Å; E466-V473 HydrophobicContact CG-CB 4.01Å; E466-V473 HydrophobicContact CG-CG1 4.4Å; E466-V473 PolarHBondContact O-N 2.92Å; E466-V473 VanDerWaalsContact OE2-CG1 3.27Å; E466-V473 WeakPolarHBondContact OE2-CG1 3.43Å; E466-S474 WeakPolarHBondContact CB-OG 3.43Å; E466-S474 PolarHBondContact N-O 3.11Å; E466-S474 PolarHBondContact N-OG 2.74Å; E466-S474 PolarHBondContact O-N 2.8Å
467	I	95.9	Very high	94.5	Very high	16 Å²	16	43.3 Å²	43.3	8%	0.082	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.5	171.4	-56.7	171.1	0	0	0	108.1	I415 V452 A456 L459 F465 Q471 L472	I415-I467 HydrophobicContact CD1-CB 4.43Å; I415-I467 HydrophobicContact CD1-CD1 3.99Å; I415-I467 HydrophobicContact CD1-CG1 4.05Å; I415-I467 HydrophobicContact CD1-CG2 3.57Å; V452-I467 HydrophobicContact CB-CD1 4.42Å; V452-I467 HydrophobicContact CG1-CD1 3.54Å; A456-I467 HydrophobicContact CB-CB 3.9Å; L459-I467 HydrophobicContact CD1-CD1 4.25Å; F465-I467 HydrophobicContact CD1-CD1 4.24Å; F465-I467 HydrophobicContact CD1-CG1 4.15Å; F465-I467 HydrophobicContact CE1-CD1 3.89Å; F465-I467 HydrophobicContact CE1-CG1 3.97Å; I467-Q471 CarbonylContact C-O 3.57Å; I467-Q471 VanDerWaalsContact CA-O 3.31Å; I467-Q471 WeakPolarHBondContact CA-O 3.39Å; I467-L472 HydrophobicContact CG1-CD1 4.23Å
468	V	93.5	Very high	94.5	Very high	65 Å²	65	36.7 Å²	36.7	39%	0.394	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.1	176.8	-178.2	0	0	0	0	107.9	E466 K470 Q471 V473	E466-V468 HydrophobicContact CG-CG2 4.06Å; V468-K470 VanDerWaalsContact C-N 3.29Å; V468-K470 PolarHBondContact O-N 3.22Å; V468-Q471 PolarHBondContact N-O 2.88Å; V468-Q471 WeakPolarHBondContact O-CA 3.49Å; V468-Q471 WeakPolarHBondContact O-CB 3.27Å; V468-Q471 PolarHBondContact O-N 3.01Å; V468-V473 HydrophobicContact CB-CG2 3.89Å; V468-V473 HydrophobicContact CG2-CG2 3.85Å
469	D	91.7	Very high	94.3	Very high	148 Å²	148	36.1 Å²	36.1	79%	0.791	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	44.4	178.2	-60.1	-37	0	0	0	114.3	Q471	D469-Q471 PolarHBondContact O-N 2.84Å
470	K	92.2	Very high	93.7	Very high	95 Å²	95	40.7 Å²	40.7	41%	0.413	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	20.3	-176.1	-52.6	-178	-178.2	-153.1	0	113.9	I415 V449 D450 A453 V468	I415-K470 WeakPolarHBondContact CB-O 3.48Å; I415-K470 WeakPolarHBondContact CG1-O 3.46Å; I415-K470 PolarHBondContact N-O 3Å; V449-K470 HydrophobicContact CG1-CB 3.81Å; V449-K470 HydrophobicContact CG1-CD 3.69Å; V449-K470 HydrophobicContact CG1-CG 3.85Å; D450-K470 WeakPolarHBondContact OD1-CE 3.29Å; D450-K470 IonicContact OD1-NZ 3.88Å; D450-K470 PolarHBondContact OD1-NZ 3.02Å; A453-K470 HydrophobicContact CB-CG 4.45Å; V468-K470 VanDerWaalsContact C-N 3.29Å; V468-K470 PolarHBondContact O-N 3.22Å
471	Q	94.9	Very high	92.9	Very high	75 Å²	75	40.7 Å²	40.7	35%	0.35	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135.2	172.2	-54.6	-172.7	-16.1	0	0	110.1	P412 C413 I467 V468 D469 V473	P412-Q471 HydrophobicContact CB-CB 3.86Å; C413-Q471 CarbonylContact O-C 3.52Å; C413-Q471 WeakPolarHBondContact O-CA 3.39Å; I467-Q471 CarbonylContact C-O 3.57Å; I467-Q471 VanDerWaalsContact CA-O 3.31Å; I467-Q471 WeakPolarHBondContact CA-O 3.39Å; V468-Q471 PolarHBondContact N-O 2.88Å; V468-Q471 WeakPolarHBondContact O-CA 3.49Å; V468-Q471 WeakPolarHBondContact O-CB 3.27Å; V468-Q471 PolarHBondContact O-N 3.01Å; D469-Q471 PolarHBondContact O-N 2.84Å; Q471-V473 PolarHBondContact O-N 3.37Å
472	L	96	Very high	92.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	118.7	173.8	-178.4	68.6	0	0	0	109.4	F409 P412 C413 I415 F465 I467 S474 I475 L489 L493	F409-L472 HydrophobicContact CD2-CG 4.45Å; F409-L472 HydrophobicContact CE2-CD2 3.73Å; F409-L472 HydrophobicContact CE2-CG 3.85Å; F409-L472 HydrophobicContact CZ-CD2 4.2Å; P412-L472 CarbonylContact C-O 3.56Å; P412-L472 WeakPolarHBondContact CA-O 3.42Å; C413-L472 HydrophobicContact CB-CB 4.32Å; C413-L472 PolarHBondContact N-O 3.05Å; C413-L472 PolarHBondContact O-N 3.41Å; I415-L472 HydrophobicContact CD1-CB 4.49Å; I415-L472 HydrophobicContact CG1-CB 4.12Å; F465-L472 HydrophobicContact CD1-CD1 4.04Å; F465-L472 HydrophobicContact CD2-CD1 4.31Å; F465-L472 HydrophobicContact CE1-CD1 3.45Å; F465-L472 VanDerWaalsContact CE1-CD1 3.45Å; F465-L472 HydrophobicContact CE2-CD1 3.74Å; F465-L472 HydrophobicContact CE2-CD2 4.48Å; F465-L472 HydrophobicContact CG-CD1 4.45Å; F465-L472 HydrophobicContact CZ-CD1 3.29Å; F465-L472 HydrophobicContact CZ-CD2 4.26Å; F465-L472 HydrophobicContact CZ-CG 4.42Å; I467-L472 HydrophobicContact CG1-CD1 4.23Å; L472-S474 WeakPolarHBondContact CD1-O 3.35Å; L472-I475 HydrophobicContact CD2-CG2 4.1Å; L472-L489 HydrophobicContact CD2-CD1 3.88Å; L472-L489 HydrophobicContact CD2-CD2 4.06Å; L472-L489 HydrophobicContact CD2-CG 4.32Å; L472-L493 HydrophobicContact CD2-CD1 4.48Å; L472-L493 HydrophobicContact CD2-CD2 4.45Å
473	V	95.7	Very high	92.4	Very high	18 Å²	18	39.2 Å²	39.2	11%	0.109	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-34.6	-176.4	-179.4	0	0	0	0	111.5	R408 F409 P412 E466 V468 Q471	R408-V473 HydrophobicContact CG-CG1 4.02Å; F409-V473 WeakPolarHBondContact CD2-O 3.29Å; F409-V473 PolarHBondContact N-O 3.38Å; P412-V473 HydrophobicContact CB-CG2 4.27Å; P412-V473 HydrophobicContact CG-CG2 4.37Å; E466-V473 HydrophobicContact CB-CB 4.13Å; E466-V473 HydrophobicContact CG-CB 4.01Å; E466-V473 HydrophobicContact CG-CG1 4.4Å; E466-V473 PolarHBondContact O-N 2.92Å; E466-V473 VanDerWaalsContact OE2-CG1 3.27Å; E466-V473 WeakPolarHBondContact OE2-CG1 3.43Å; V468-V473 HydrophobicContact CB-CG2 3.89Å; V468-V473 HydrophobicContact CG2-CG2 3.85Å; Q471-V473 PolarHBondContact O-N 3.37Å
474	S	95.4	Very high	92.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	160.5	-178.8	75	0	0	0	0	114.4	F407 A464 E466 L472	F407-S474 CarbonylContact O-C 3.36Å; F407-S474 WeakPolarHBondContact O-CA 3.39Å; F407-S474 VanDerWaalsContact O-CB 3.24Å; F407-S474 WeakPolarHBondContact O-CB 3.44Å; A464-S474 PolarHBondContact O-OG 3.24Å; E466-S474 WeakPolarHBondContact CB-OG 3.43Å; E466-S474 PolarHBondContact N-O 3.11Å; E466-S474 PolarHBondContact N-OG 2.74Å; E466-S474 PolarHBondContact O-N 2.8Å; L472-S474 WeakPolarHBondContact CD1-O 3.35Å
475	I	96.1	Very high	91.8	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	154	173.3	59.9	177.6	0	0	0	110.4	A406 F407 F409 A464 F465 L472 K477 P484 L486 F519 Y520	A406-I475 WeakPolarHBondContact CA-O 3.22Å; F407-I475 HydrophobicContact CB-CG1 4Å; F407-I475 PolarHBondContact N-O 3.01Å; F407-I475 PolarHBondContact O-N 3.36Å; F409-I475 HydrophobicContact CE2-CG2 3.88Å; F409-I475 HydrophobicContact CZ-CD1 4.05Å; F409-I475 HydrophobicContact CZ-CG1 4.23Å; F409-I475 HydrophobicContact CZ-CG2 3.92Å; A464-I475 CarbonylContact O-C 3.55Å; F465-I475 HydrophobicContact CD2-CB 4.48Å; F465-I475 HydrophobicContact CD2-CG2 4.02Å; F465-I475 HydrophobicContact CE2-CG2 3.78Å; L472-I475 HydrophobicContact CD2-CG2 4.1Å; I475-K477 PolarHBondContact O-N 3.17Å; I475-P484 HydrophobicContact CD1-CG 4.32Å; I475-L486 HydrophobicContact CD1-CD2 3.98Å; I475-F519 HydrophobicContact CD1-CE1 4.27Å; I475-Y520 WeakPolarHBondContact CD1-OH 3.34Å
476	P	95.9	Very high	91.6	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	130	-178.4	14.4	-26.7	0	0	0	114	H404 F463 L478 T516 Y520	H404-P476 HydrophobicContact CB-CB 4.36Å; F463-P476 WeakPolarHBondContact O-CB 3.28Å; F463-P476 WeakPolarHBondContact O-CG 3.36Å; P476-L478 HydrophobicContact CB-CD2 3.78Å; P476-L478 HydrophobicContact CB-CG 4.27Å; P476-L478 HydrophobicContact CG-CD2 4.35Å; P476-L478 PolarHBondContact O-N 2.96Å; P476-L478 VanDerWaalsContact O-N 3.14Å; P476-T516 HydrophobicContact CG-CG2 4.38Å; P476-Y520 VanDerWaalsContact O-CZ 3.23Å; P476-Y520 PolarHBondContact O-OH 2.73Å
477	K	93.7	Very high	91.2	Very high	25 Å²	25	50.5 Å²	50.5	11%	0.109	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	91.8	166.9	177	175.5	170.8	-134.9	0	110	E405 F407 I475 D480	E405-K477 HydrophobicContact CB-CB 4.02Å; E405-K477 HydrophobicContact CB-CD 4.26Å; E405-K477 PolarHBondContact O-N 3.34Å; E405-K477 WeakPolarHBondContact OE2-CD 3.35Å; E405-K477 IonicContact OE2-NZ 3.14Å; E405-K477 PolarHBondContact OE2-NZ 2.97Å; F407-K477 HydrophobicContact CD1-CB 4.47Å; F407-K477 HydrophobicContact CD1-CD 4.36Å; F407-K477 HydrophobicContact CD2-CB 3.79Å; F407-K477 HydrophobicContact CD2-CG 4.24Å; F407-K477 HydrophobicContact CE1-CB 4.37Å; F407-K477 HydrophobicContact CE1-CD 3.78Å; F407-K477 HydrophobicContact CE1-CG 3.99Å; F407-K477 HydrophobicContact CE2-CB 3.69Å; F407-K477 HydrophobicContact CE2-CD 4.36Å; F407-K477 HydrophobicContact CE2-CG 3.64Å; F407-K477 HydrophobicContact CG-CB 4.2Å; F407-K477 HydrophobicContact CZ-CB 4Å; F407-K477 HydrophobicContact CZ-CD 3.79Å; F407-K477 HydrophobicContact CZ-CG 3.5Å; I475-K477 PolarHBondContact O-N 3.17Å; K477-D480 WeakPolarHBondContact CE-OD1 3.11Å; K477-D480 IonicContact NZ-OD1 2.65Å; K477-D480 PolarHBondContact NZ-OD1 3.08Å
478	L	92.8	Very high	90.8	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.259	C	S	.	.			trans	-75.5	-39.3	-177.4	-59.7	-175.5	0	0	0	113.2	F393 I396 T397 P476 T516 Y520	F393-L478 HydrophobicContact CB-CD1 3.99Å; F393-L478 HydrophobicContact CD1-CB 3.87Å; F393-L478 HydrophobicContact CD1-CD1 3.79Å; F393-L478 HydrophobicContact CE1-CB 4.23Å; F393-L478 HydrophobicContact CG-CD1 4.25Å; I396-L478 HydrophobicContact CG2-CB 3.92Å; I396-L478 HydrophobicContact CG2-CD2 4.18Å; I396-L478 VanDerWaalsContact CG2-O 3.32Å; I396-L478 WeakPolarHBondContact CG2-O 3.28Å; T397-L478 WeakPolarHBondContact OG1-CD1 3.21Å; P476-L478 HydrophobicContact CB-CD2 3.78Å; P476-L478 HydrophobicContact CB-CG 4.27Å; P476-L478 HydrophobicContact CG-CD2 4.35Å; P476-L478 PolarHBondContact O-N 2.96Å; P476-L478 VanDerWaalsContact O-N 3.14Å; L478-T516 HydrophobicContact CD1-CG2 4.01Å; L478-Y520 HydrophobicContact CB-CD1 4.37Å; L478-Y520 HydrophobicContact CB-CE1 4.38Å; L478-Y520 HydrophobicContact CD1-CD1 3.83Å; L478-Y520 HydrophobicContact CD1-CD2 3.89Å; L478-Y520 HydrophobicContact CD1-CE1 4.12Å; L478-Y520 HydrophobicContact CD1-CE2 4.17Å; L478-Y520 HydrophobicContact CD1-CG 3.73Å; L478-Y520 HydrophobicContact CG-CD1 4.2Å; L478-Y520 HydrophobicContact CG-CE1 4.07Å
479	L	89.8	Confident	90.8	Very high	32 Å²	32	47.9 Å²	47.9	17%	0.168	24%	0.241	C	C	.	.	S	Bend	trans	-133.6	140.3	-178.3	-176.5	69.9	0	0	0	111	F393 N481 Y482 L554 A557	F393-L479 HydrophobicContact CE1-CB 4.04Å; L479-N481 PolarHBondContact O-N 3.42Å; L479-Y482 HydrophobicContact CD2-CG 4.35Å; L479-Y482 PolarHBondContact O-N 3.4Å; L479-L554 HydrophobicContact CD2-CD2 4.46Å; L479-A557 HydrophobicContact CD1-CB 3.82Å; L479-A557 HydrophobicContact CD2-CB 3.78Å; L479-A557 HydrophobicContact CG-CB 4.49Å
480	D	81.5	Confident	90.9	Very high	96 Å²	96	41.6 Å²	41.6	51%	0.513	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	131.8	177.5	-77	-36.8	0	0	0	111.5	K477 Y482	K477-D480 WeakPolarHBondContact CE-OD1 3.11Å; K477-D480 IonicContact NZ-OD1 2.65Å; K477-D480 PolarHBondContact NZ-OD1 3.08Å; D480-Y482 PolarHBondContact O-N 3.18Å
481	N	78.5	Confident	90.9	Very high	120 Å²	120	41.6 Å²	41.6	64%	0.642	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	25.3	-178.3	-41.6	-68.3	0	0	0	114.4	L479 W549	L479-N481 PolarHBondContact O-N 3.42Å; N481-W549 HydrophobicContact CB-CH2 3.85Å; N481-W549 HydrophobicContact CB-CZ2 4.5Å; N481-W549 VanDerWaalsContact O-CH2 3.3Å; N481-W549 WeakPolarHBondContact O-CH2 3.26Å; N481-W549 WeakPolarHBondContact O-CZ3 3.16Å
482	Y	88.4	Confident	90.8	Very high	6 Å²	6	38.3 Å²	38.3	2%	0.024	19%	0.19	C	C	.	.			trans	-122.1	121.5	172	-174.4	-87.2	0	0	0	109.6	F393 F407 L479 D480 Y520 L550 L554	F393-Y482 AromaticContact CE1-CD1 3.96Å; F393-Y482 HydrophobicContact CE1-CD1 3.96Å; F393-Y482 HydrophobicContact CE1-CE1 4.04Å; F393-Y482 HydrophobicContact CE2-CD1 4.35Å; F393-Y482 AromaticContact CE2-CE1 3.64Å; F393-Y482 HydrophobicContact CE2-CE1 3.64Å; F393-Y482 AromaticContact CE2-CZ 3.74Å; F393-Y482 AromaticContact CZ-CD1 3.47Å; F393-Y482 HydrophobicContact CZ-CD1 3.47Å; F393-Y482 VanDerWaalsContact CZ-CD1 3.47Å; F393-Y482 HydrophobicContact CZ-CD2 4.35Å; F393-Y482 AromaticContact CZ-CE1 3.21Å; F393-Y482 HydrophobicContact CZ-CE1 3.21Å; F393-Y482 HydrophobicContact CZ-CE2 4.15Å; F393-Y482 HydrophobicContact CZ-CG 4.04Å; F393-Y482 AromaticContact CZ-CZ 3.58Å; F407-Y482 VanDerWaalsContact CE2-O 3.31Å; F407-Y482 WeakPolarHBondContact CE2-O 3.43Å; F407-Y482 WeakPolarHBondContact CZ-O 3.4Å; L479-Y482 HydrophobicContact CD2-CG 4.35Å; L479-Y482 PolarHBondContact O-N 3.4Å; D480-Y482 PolarHBondContact O-N 3.18Å; Y482-Y520 HydrophobicContact CD1-CD1 4.31Å; Y482-Y520 HydrophobicContact CE1-CD1 4.19Å; Y482-Y520 WeakPolarHBondContact CE1-O 3.17Å; Y482-Y520 PolarHBondContact OH-O 2.93Å; Y482-L550 HydrophobicContact CD2-CD2 3.75Å; Y482-L550 HydrophobicContact CE2-CD2 4.02Å; Y482-L554 HydrophobicContact CD2-CD2 4.26Å; Y482-L554 HydrophobicContact CE2-CD1 4.2Å; Y482-L554 HydrophobicContact CE2-CD2 3.9Å; Y482-L554 HydrophobicContact CE2-CG 4.07Å
483	L	87.7	Confident	90.8	Very high	89 Å²	89	38.3 Å²	38.3	47%	0.466	19%	0.19	S	C	.	.			trans	-117.2	128.8	171.9	-172.8	73.8	0	0	0	107.7	F407 L486	F407-L483 HydrophobicContact CB-CD1 4.44Å; F407-L483 HydrophobicContact CD1-CD1 4.28Å; F407-L483 HydrophobicContact CD2-CD1 3.73Å; F407-L483 HydrophobicContact CE1-CD1 4.45Å; F407-L483 HydrophobicContact CE2-CD1 3.91Å; F407-L483 HydrophobicContact CG-CD1 3.92Å; F407-L483 HydrophobicContact CZ-CD1 4.26Å; L483-L486 HydrophobicContact CD2-CD1 4.45Å
484	P	89.8	Confident	90.6	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.026	19%	0.185	C	C	.	.			trans	-68.5	161.2	176.7	33.5	-38.2	0	0	0	110.6	I475 L486 F519 Y520	I475-P484 HydrophobicContact CD1-CG 4.32Å; P484-L486 PolarHBondContact O-N 2.72Å; P484-L486 VanDerWaalsContact O-N 3.14Å; P484-F519 HydrophobicContact CB-CE1 4.23Å; P484-F519 HydrophobicContact CB-CZ 4.21Å; P484-F519 HydrophobicContact CG-CD1 4.41Å; P484-F519 HydrophobicContact CG-CE1 3.67Å; P484-F519 HydrophobicContact CG-CZ 3.82Å; P484-Y520 HydrophobicContact CB-CD1 3.97Å; P484-Y520 HydrophobicContact CB-CD2 4.5Å; P484-Y520 HydrophobicContact CB-CE1 4.22Å; P484-Y520 HydrophobicContact CB-CG 4.09Å; P484-Y520 VanDerWaalsContact CD-CE1 3.45Å; P484-Y520 HydrophobicContact CG-CD1 3.85Å; P484-Y520 HydrophobicContact CG-CD2 4.34Å; P484-Y520 HydrophobicContact CG-CE1 3.57Å; P484-Y520 HydrophobicContact CG-CE2 4.11Å; P484-Y520 HydrophobicContact CG-CG 4.2Å
485	R	87.3	Confident	90.5	Very high	84 Å²	84	38.3 Å²	38.3	32%	0.317	19%	0.19	S	C	.	.			trans	-67.7	114.8	173.9	-72.8	-162.2	-111.9	-126.2	1.8	109.9	D487 D488 K523	R485-D487 PolarHBondContact O-N 2.9Å; R485-D488 PolarHBondContact O-N 2.91Å; R485-K523 PolarHBondContact NH2-O 3.5Å
486	L	90.8	Very high	90.4	Very high	64 Å²	64	38.2 Å²	38.2	34%	0.335	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-71.8	-13.1	-177	-59.7	179.9	0	0	0	113.3	F409 I475 L483 P484 D488 L489 F519	F409-L486 HydrophobicContact CE1-CD1 4.04Å; F409-L486 HydrophobicContact CE1-CD2 4.13Å; I475-L486 HydrophobicContact CD1-CD2 3.98Å; L483-L486 HydrophobicContact CD2-CD1 4.45Å; P484-L486 PolarHBondContact O-N 2.72Å; P484-L486 VanDerWaalsContact O-N 3.14Å; L486-D488 PolarHBondContact O-N 3.47Å; L486-L489 WeakPolarHBondContact O-CB 3.4Å; L486-L489 PolarHBondContact O-N 2.63Å; L486-F519 HydrophobicContact CD2-CZ 4.36Å
487	D	87	Confident	90.2	Very high	122 Å²	122	38.6 Å²	38.6	65%	0.652	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-59.3	-28.8	174.5	-55	-31.1	0	0	0	112.3	R485 L489 P490	R485-D487 PolarHBondContact O-N 2.9Å; D487-L489 VanDerWaalsContact C-N 3.33Å; D487-P490 WeakPolarHBondContact O-CD 3.46Å
488	D	88.8	Confident	90	Very high	22 Å²	22	38 Å²	38	12%	0.118	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-84.9	-4.4	177.3	-78	-27.9	0	0	0	113.5	R485 L486 P490 R491 Y492 F519 K523 Y526	R485-D488 PolarHBondContact O-N 2.91Å; L486-D488 PolarHBondContact O-N 3.47Å; D488-P490 VanDerWaalsContact C-CD 3.49Å; D488-R491 PolarHBondContact O-N 3.09Å; D488-R491 VanDerWaalsContact O-N 3.09Å; D488-Y492 PolarHBondContact O-N 3.33Å; D488-F519 HydrophobicContact CB-CD2 4.03Å; D488-F519 HydrophobicContact CB-CE2 4.12Å; D488-K523 WeakPolarHBondContact OD2-CD 3.42Å; D488-K523 WeakPolarHBondContact OD2-CE 3.39Å; D488-K523 IonicContact OD2-NZ 3.62Å; D488-K523 PolarHBondContact OD2-NZ 2.81Å; D488-Y526 PolarHBondContact OD1-OH 2.93Å
489	L	93.1	Very high	89.9	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-57.6	-41.2	-177.1	-176	59.9	0	0	0	113.4	F409 M418 L472 L486 D487 R491 Y492 L493 F519	F409-L489 HydrophobicContact CE1-CD2 4.12Å; F409-L489 HydrophobicContact CZ-CD2 3.72Å; M418-L489 HydrophobicContact CE-CB 3.77Å; M418-L489 HydrophobicContact CE-CD2 3.75Å; M418-L489 HydrophobicContact CE-CG 3.65Å; L472-L489 HydrophobicContact CD2-CD1 3.88Å; L472-L489 HydrophobicContact CD2-CD2 4.06Å; L472-L489 HydrophobicContact CD2-CG 4.32Å; L486-L489 WeakPolarHBondContact O-CB 3.4Å; L486-L489 PolarHBondContact O-N 2.63Å; D487-L489 VanDerWaalsContact C-N 3.33Å; L489-R491 PolarHBondContact O-N 3.48Å; L489-Y492 HydrophobicContact CD1-CD1 4Å; L489-Y492 PolarHBondContact O-N 3.26Å; L489-L493 WeakPolarHBondContact O-CG 3.28Å; L489-L493 PolarHBondContact O-N 2.95Å; L489-F519 HydrophobicContact CB-CE2 4.23Å; L489-F519 HydrophobicContact CB-CZ 4.3Å; L489-F519 HydrophobicContact CD1-CE1 4.4Å; L489-F519 HydrophobicContact CD1-CE2 4.45Å; L489-F519 HydrophobicContact CD1-CZ 3.96Å
490	P	93.4	Very high	90.1	Very high	17 Å²	17	39.5 Å²	39.5	11%	0.11	20%	0.196	C	C	.	.	H	α-helix	trans	-53	-50.3	170.7	-29.8	38.9	0	0	0	112.9	M418 L421 A422 D487 D488 Y492 L493 L494	M418-P490 HydrophobicContact CE-CB 4.45Å; M418-P490 VanDerWaalsContact CE-CD 3.43Å; M418-P490 HydrophobicContact CE-CG 3.51Å; M418-P490 VanDerWaalsContact O-CB 3.31Å; M418-P490 WeakPolarHBondContact O-CB 3.37Å; M418-P490 HydrophobicContact SD-CG 4.09Å; L421-P490 HydrophobicContact CB-CB 4.4Å; L421-P490 HydrophobicContact CB-CG 4.49Å; A422-P490 VanDerWaalsContact CB-C 3.48Å; A422-P490 HydrophobicContact CB-CB 3.8Å; A422-P490 VanDerWaalsContact CB-O 3.28Å; A422-P490 WeakPolarHBondContact CB-O 3.44Å; D487-P490 WeakPolarHBondContact O-CD 3.46Å; D488-P490 VanDerWaalsContact C-CD 3.49Å; P490-Y492 VanDerWaalsContact C-N 3.33Å; P490-Y492 PolarHBondContact O-N 3.39Å; P490-L493 PolarHBondContact O-N 2.65Å; P490-L494 PolarHBondContact O-N 3.29Å
491	R	91.7	Very high	90.6	Very high	95 Å²	95	37 Å²	37	36%	0.358	18%	0.182	S	C	.	.	H	α-helix	trans	-67.9	-35.7	-177.4	-175.6	58.1	168	168.5	4.1	111.5	D488 L489 L494 N495	D488-R491 PolarHBondContact O-N 3.09Å; D488-R491 VanDerWaalsContact O-N 3.09Å; L489-R491 PolarHBondContact O-N 3.48Å; R491-L494 PolarHBondContact O-N 3.03Å; R491-N495 PolarHBondContact O-N 3.4Å; R491-N495 PolarHBondContact O-OD1 3.3Å
492	Y	94.6	Very high	91.3	Very high	5 Å²	5	32.9 Å²	32.9	2%	0.02	16%	0.157	C	C	.	.	H	α-helix	trans	-62.3	-49.3	173.8	173.1	-129.9	0	0	0	111.5	F465 D488 L489 P490 L494 N495 L496 E515 T516 F519	F465-Y492 AromaticContact CE2-CE1 3.72Å; F465-Y492 HydrophobicContact CE2-CE1 3.72Å; F465-Y492 HydrophobicContact CZ-CE1 4.34Å; D488-Y492 PolarHBondContact O-N 3.33Å; L489-Y492 HydrophobicContact CD1-CD1 4Å; L489-Y492 PolarHBondContact O-N 3.26Å; P490-Y492 VanDerWaalsContact C-N 3.33Å; P490-Y492 PolarHBondContact O-N 3.39Å; Y492-L494 VanDerWaalsContact C-N 3.3Å; Y492-L494 PolarHBondContact O-N 2.7Å; Y492-N495 PolarHBondContact O-N 2.95Å; Y492-N495 VanDerWaalsContact O-N 3.13Å; Y492-L496 HydrophobicContact CD2-CD2 4.33Å; Y492-L496 HydrophobicContact CD2-CG 4.12Å; Y492-L496 HydrophobicContact CE1-CD1 4Å; Y492-L496 HydrophobicContact CE2-CD1 3.98Å; Y492-L496 HydrophobicContact CE2-CD2 3.57Å; Y492-L496 HydrophobicContact CE2-CG 3.71Å; Y492-L496 WeakPolarHBondContact O-CG 3.46Å; Y492-L496 PolarHBondContact O-N 2.93Å; Y492-E515 HydrophobicContact CE2-CB 4.3Å; Y492-T516 PolarHBondContact OH-OG1 3.36Å; Y492-F519 HydrophobicContact CD1-CB 4.19Å; Y492-F519 AromaticContact CD1-CD1 3.55Å; Y492-F519 HydrophobicContact CD1-CD1 3.55Å; Y492-F519 HydrophobicContact CD1-CD2 4.21Å; Y492-F519 AromaticContact CD1-CE1 3.96Å; Y492-F519 HydrophobicContact CD1-CE1 3.96Å; Y492-F519 AromaticContact CD1-CG 3.71Å; Y492-F519 HydrophobicContact CD1-CG 3.71Å; Y492-F519 HydrophobicContact CD1-CZ 4.44Å; Y492-F519 HydrophobicContact CD2-CB 3.6Å; Y492-F519 HydrophobicContact CD2-CD1 4.45Å; Y492-F519 HydrophobicContact CD2-CG 4.05Å; Y492-F519 AromaticContact CE1-CD1 3.79Å; Y492-F519 HydrophobicContact CE1-CD1 3.79Å; Y492-F519 HydrophobicContact CE1-CE1 4.26Å; Y492-F519 HydrophobicContact CE1-CG 4.3Å; Y492-F519 HydrophobicContact CE2-CB 4.11Å; Y492-F519 HydrophobicContact CG-CB 3.66Å; Y492-F519 AromaticContact CG-CD1 3.92Å; Y492-F519 HydrophobicContact CG-CD1 3.92Å; Y492-F519 AromaticContact CG-CD2 3.99Å; Y492-F519 HydrophobicContact CG-CD2 3.99Å; Y492-F519 AromaticContact CG-CG 3.57Å; Y492-F519 HydrophobicContact CG-CG 3.57Å
493	L	94.3	Very high	91.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-40.8	176.2	-73.7	170.7	0	0	0	112.4	I415 M418 L419 F465 L472 L489 P490 L496 A497	I415-L493 HydrophobicContact CG2-CD1 4.45Å; M418-L493 HydrophobicContact CB-CD1 3.62Å; M418-L493 HydrophobicContact CG-CD1 4.09Å; L419-L493 HydrophobicContact CD2-CB 4.04Å; F465-L493 HydrophobicContact CZ-CD2 3.86Å; L472-L493 HydrophobicContact CD2-CD1 4.48Å; L472-L493 HydrophobicContact CD2-CD2 4.45Å; L489-L493 WeakPolarHBondContact O-CG 3.28Å; L489-L493 PolarHBondContact O-N 2.95Å; P490-L493 PolarHBondContact O-N 2.65Å; L493-L496 PolarHBondContact O-N 3.21Å; L493-A497 PolarHBondContact O-N 3.45Å
494	L	92.6	Very high	91.6	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-44.5	175.2	179.8	62.1	0	0	0	111.6	L419 A422 L423 F440 P490 R491 Y492 L496 A497 E498	L419-L494 VanDerWaalsContact CD2-CA 3.47Å; L419-L494 HydrophobicContact CD2-CB 3.89Å; L419-L494 HydrophobicContact CD2-CD1 4.24Å; A422-L494 HydrophobicContact CB-CB 3.89Å; A422-L494 HydrophobicContact CB-CD2 3.92Å; L423-L494 HydrophobicContact CD2-CD1 3.9Å; L423-L494 HydrophobicContact CD2-CD2 3.84Å; L423-L494 HydrophobicContact CG-CD1 4.32Å; L423-L494 HydrophobicContact CG-CD2 4.36Å; F440-L494 HydrophobicContact CB-CD1 4.49Å; P490-L494 PolarHBondContact O-N 3.29Å; R491-L494 PolarHBondContact O-N 3.03Å; Y492-L494 VanDerWaalsContact C-N 3.3Å; Y492-L494 PolarHBondContact O-N 2.7Å; L494-L496 VanDerWaalsContact C-N 3.28Å; L494-L496 PolarHBondContact O-N 3.17Å; L494-A497 PolarHBondContact O-N 3.41Å; L494-A497 VanDerWaalsContact O-N 3.17Å; L494-E498 HydrophobicContact CD1-CG 4Å; L494-E498 HydrophobicContact CG-CG 4.31Å; L494-E498 WeakPolarHBondContact O-CB 3.5Å; L494-E498 WeakPolarHBondContact O-CG 3.13Å; L494-E498 PolarHBondContact O-N 2.87Å
495	N	92.9	Very high	91.7	Very high	17 Å²	17	45 Å²	45	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-31.7	175.8	-73.7	-1.7	0	0	0	112.5	R491 Y492 A497 K499 E515	R491-N495 PolarHBondContact O-N 3.4Å; R491-N495 PolarHBondContact O-OD1 3.3Å; Y492-N495 PolarHBondContact O-N 2.95Å; Y492-N495 VanDerWaalsContact O-N 3.13Å; N495-A497 VanDerWaalsContact C-N 3.33Å; N495-K499 HydrophobicContact CB-CD 4.12Å; N495-K499 HydrophobicContact CB-CG 4.46Å; N495-K499 WeakPolarHBondContact O-CA 3.48Å; N495-K499 VanDerWaalsContact O-CB 3.27Å; N495-K499 WeakPolarHBondContact O-CB 3.42Å; N495-K499 PolarHBondContact O-N 3.31Å; N495-K499 WeakPolarHBondContact OD1-CE 3.33Å; N495-E515 HydrophobicContact CB-CG 4.35Å; N495-E515 VanDerWaalsContact CB-OE2 3.28Å; N495-E515 WeakPolarHBondContact CB-OE2 3.46Å; N495-E515 PolarHBondContact ND2-OE2 3.07Å
496	L	93.6	Very high	92.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.4	-39	173.2	-69.3	-176.2	0	0	0	111.8	V452 F465 Y492 L493 L494 V500 W502 F512 E515	V452-L496 HydrophobicContact CG2-CB 4.45Å; F465-L496 HydrophobicContact CE1-CD1 4.31Å; F465-L496 HydrophobicContact CE2-CD1 4.44Å; F465-L496 HydrophobicContact CZ-CD1 3.92Å; Y492-L496 HydrophobicContact CD2-CD2 4.33Å; Y492-L496 HydrophobicContact CD2-CG 4.12Å; Y492-L496 HydrophobicContact CE1-CD1 4Å; Y492-L496 HydrophobicContact CE2-CD1 3.98Å; Y492-L496 HydrophobicContact CE2-CD2 3.57Å; Y492-L496 HydrophobicContact CE2-CG 3.71Å; Y492-L496 WeakPolarHBondContact O-CG 3.46Å; Y492-L496 PolarHBondContact O-N 2.93Å; L493-L496 PolarHBondContact O-N 3.21Å; L494-L496 VanDerWaalsContact C-N 3.28Å; L494-L496 PolarHBondContact O-N 3.17Å; L496-V500 HydrophobicContact CD2-CG2 3.78Å; L496-V500 WeakPolarHBondContact O-CB 3.19Å; L496-W502 WeakPolarHBondContact O-CZ2 3.33Å; L496-W502 PolarHBondContact O-NE1 2.82Å; L496-W502 VanDerWaalsContact O-NE1 3.14Å; L496-F512 HydrophobicContact CD1-CE2 3.97Å; L496-F512 HydrophobicContact CD2-CD2 3.56Å; L496-F512 HydrophobicContact CD2-CE2 3.63Å; L496-F512 HydrophobicContact CD2-CG 4.48Å; L496-F512 HydrophobicContact CG-CE2 4.45Å; L496-E515 HydrophobicContact CD2-CB 4.26Å
497	A	92.1	Very high	92.2	Very high	8 Å²	8	41.8 Å²	41.8	7%	0.066	21%	0.205	C	C	.	.	H	α-helix	trans	-73.5	-41.4	175.8	0	0	0	0	0	112.5	F440 A448 V452 L493 L494 N495	F440-A497 HydrophobicContact CE2-CB 3.99Å; F440-A497 WeakPolarHBondContact CE2-O 3.29Å; F440-A497 HydrophobicContact CZ-CB 4.23Å; A448-A497 HydrophobicContact CB-CB 4.17Å; V452-A497 HydrophobicContact CG2-CB 4.07Å; L493-A497 PolarHBondContact O-N 3.45Å; L494-A497 PolarHBondContact O-N 3.41Å; L494-A497 VanDerWaalsContact O-N 3.17Å; N495-A497 VanDerWaalsContact C-N 3.33Å
498	E	89.6	Confident	92.6	Very high	13 Å²	13	36.4 Å²	36.4	6%	0.061	18%	0.177	C	C	.	.	H	α-helix	trans	-78.6	-49.1	-175.9	-77	-169.2	156.2	0	0	113	R426 N437 R438 F440 L494	R426-E498 IonicContact CZ-OE1 2.7Å; R426-E498 IonicContact NH2-OE1 3.8Å; R426-E498 IonicContact NH2-OE2 3.9Å; N437-E498 WeakPolarHBondContact CB-O 3.46Å; N437-E498 PolarHBondContact OD1-O 2.98Å; R438-E498 WeakPolarHBondContact O-CG 3.24Å; F440-E498 HydrophobicContact CD2-CG 3.58Å; F440-E498 HydrophobicContact CE2-CG 4.16Å; F440-E498 PolarHBondContact N-OE1 2.88Å; F440-E498 VanDerWaalsContact N-OE1 3.11Å; L494-E498 HydrophobicContact CD1-CG 4Å; L494-E498 HydrophobicContact CG-CG 4.31Å; L494-E498 WeakPolarHBondContact O-CB 3.5Å; L494-E498 WeakPolarHBondContact O-CG 3.13Å; L494-E498 PolarHBondContact O-N 2.87Å
499	K	90.7	Very high	92.9	Very high	59 Å²	59	36.1 Å²	36.1	26%	0.257	17%	0.174	S	C	.	.	H	α-helix	trans	-105.8	-18.1	-158.2	-59.2	-176.8	-179	174.6	0	115.7	N437 N495 E515	N437-K499 VanDerWaalsContact ND2-CA 3.35Å; N437-K499 WeakPolarHBondContact ND2-CA 3.35Å; N437-K499 PolarHBondContact ND2-O 3.32Å; N495-K499 HydrophobicContact CB-CD 4.12Å; N495-K499 HydrophobicContact CB-CG 4.46Å; N495-K499 WeakPolarHBondContact O-CA 3.48Å; N495-K499 VanDerWaalsContact O-CB 3.27Å; N495-K499 WeakPolarHBondContact O-CB 3.42Å; N495-K499 PolarHBondContact O-N 3.31Å; N495-K499 WeakPolarHBondContact OD1-CE 3.33Å; K499-E515 HydrophobicContact CB-CG 4.36Å
500	V	93	Very high	93.1	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.03	18%	0.182	C	C	.	.			trans	-78.8	125.2	-179.5	177.5	0	0	0	0	108.4	L496 W502 T511 F512 E515	L496-V500 HydrophobicContact CD2-CG2 3.78Å; L496-V500 WeakPolarHBondContact O-CB 3.19Å; V500-W502 HydrophobicContact CB-CD2 4.2Å; V500-W502 HydrophobicContact CB-CH2 4.37Å; V500-W502 HydrophobicContact CB-CZ2 3.76Å; V500-W502 HydrophobicContact CG1-CD2 3.61Å; V500-W502 HydrophobicContact CG1-CE3 3.74Å; V500-W502 HydrophobicContact CG1-CG 4.27Å; V500-W502 HydrophobicContact CG1-CH2 3.82Å; V500-W502 HydrophobicContact CG1-CZ2 3.65Å; V500-W502 HydrophobicContact CG1-CZ3 3.84Å; V500-W502 HydrophobicContact CG2-CZ2 4.28Å; V500-W502 PolarHBondContact O-N 2.55Å; V500-W502 PolarHBondContact O-NE1 2.91Å; V500-T511 WeakPolarHBondContact CA-OG1 3.38Å; V500-T511 WeakPolarHBondContact CG1-OG1 3.31Å; V500-F512 HydrophobicContact CG1-CB 4.16Å; V500-F512 HydrophobicContact CG2-CB 4.38Å; V500-E515 HydrophobicContact CG2-CG 4.49Å
501	D	92.9	Very high	93.3	Very high	42 Å²	42	39 Å²	39	23%	0.225	19%	0.186	C	C	.	.			trans	-75.3	107.1	171.4	176	-1.2	0	0	0	107.8	D503 E504 N507 C508 T511	D501-D503 PolarHBondContact OD1-N 3.39Å; D501-E504 PolarHBondContact OD1-N 3.04Å; D501-N507 HydrophobicContact CB-CB 3.95Å; D501-N507 WeakPolarHBondContact OD2-CB 3.46Å; D501-N507 PolarHBondContact OD2-ND2 3.33Å; D501-N507 VanDerWaalsContact OD2-ND2 3.13Å; D501-C508 WeakPolarHBondContact O-CA 3.38Å; D501-C508 WeakPolarHBondContact O-CB 3.26Å; D501-C508 PolarHBondContact O-N 2.83Å; D501-T511 HydrophobicContact CB-CG2 4.49Å; D501-T511 PolarHBondContact N-OG1 3.33Å; D501-T511 VanDerWaalsContact N-OG1 3.12Å
502	W	92.2	Very high	93.5	Very high	34 Å²	34	34.5 Å²	34.5	13%	0.129	17%	0.169	C	C	.	.			trans	-94.8	1.7	-177.2	-61.5	105.7	0	0	0	113.9	R455 M458 L459 L496 V500 C508 F512	R455-W502 VanDerWaalsContact CD-CD2 3.44Å; M458-W502 HydrophobicContact CE-CE3 4.33Å; M458-W502 HydrophobicContact CE-CZ3 3.8Å; L459-W502 HydrophobicContact CD1-CH2 4.34Å; L459-W502 HydrophobicContact CD2-CH2 4.09Å; L459-W502 HydrophobicContact CD2-CZ3 4.25Å; L496-W502 WeakPolarHBondContact O-CZ2 3.33Å; L496-W502 PolarHBondContact O-NE1 2.82Å; L496-W502 VanDerWaalsContact O-NE1 3.14Å; V500-W502 HydrophobicContact CB-CD2 4.2Å; V500-W502 HydrophobicContact CB-CH2 4.37Å; V500-W502 HydrophobicContact CB-CZ2 3.76Å; V500-W502 HydrophobicContact CG1-CD2 3.61Å; V500-W502 HydrophobicContact CG1-CE3 3.74Å; V500-W502 HydrophobicContact CG1-CG 4.27Å; V500-W502 HydrophobicContact CG1-CH2 3.82Å; V500-W502 HydrophobicContact CG1-CZ2 3.65Å; V500-W502 HydrophobicContact CG1-CZ3 3.84Å; V500-W502 HydrophobicContact CG2-CZ2 4.28Å; V500-W502 PolarHBondContact O-N 2.55Å; V500-W502 PolarHBondContact O-NE1 2.91Å; W502-C508 VanDerWaalsContact CE3-SG 3.52Å; W502-F512 HydrophobicContact CH2-CD2 4.02Å
503	D	90.8	Very high	93.6	Very high	156 Å²	156	34.2 Å²	34.2	83%	0.834	17%	0.168	S	C	*	.	S	Bend	trans	-96.9	-38.8	-172.1	-63.4	-35.4	0	0	0	111.3	D501	D501-D503 PolarHBondContact OD1-N 3.39Å
504	E	92.7	Very high	93.8	Very high	100 Å²	100	36.6 Å²	36.6	47%	0.467	18%	0.177	S	C	.	.	S	Bend	trans	-101.7	124.7	176.8	-167.6	-168.2	153.3	0	0	112.1	D501 E506 N507 C508	D501-E504 PolarHBondContact OD1-N 3.04Å; E504-E506 PolarHBondContact O-N 3.48Å; E504-N507 HydrophobicContact CB-CB 4.18Å; E504-N507 PolarHBondContact O-N 3.26Å; E504-N507 PolarHBondContact OE2-ND2 3.23Å; E504-C508 VanDerWaalsContact O-CB 3.26Å; E504-C508 WeakPolarHBondContact O-CB 3.41Å; E504-C508 PolarHBondContact O-N 3.01Å
505	E	92.5	Very high	94	Very high	98 Å²	98	37 Å²	37	46%	0.458	18%	0.179	S	C	.	.	H	α-helix	trans	-53	-49.5	-174.6	-174.8	-173	151.7	0	0	113.5	A338 C508 Y509	A338-E505 HydrophobicContact CB-CG 4.31Å; E505-C508 WeakPolarHBondContact O-CB 3.47Å; E505-C508 PolarHBondContact O-N 3Å; E505-Y509 HydrophobicContact CG-CD2 4.26Å; E505-Y509 HydrophobicContact CG-CE2 3.43Å; E505-Y509 VanDerWaalsContact CG-CE2 3.43Å; E505-Y509 WeakPolarHBondContact CG-OH 3.27Å; E505-Y509 WeakPolarHBondContact O-CD2 3.08Å; E505-Y509 PolarHBondContact O-N 3.43Å; E505-Y509 WeakPolarHBondContact OE1-CE2 3.45Å
506	E	94.2	Very high	94.2	Very high	36 Å²	36	36.2 Å²	36.2	17%	0.168	18%	0.175	C	C	.	.	H	α-helix	trans	-67.8	-44	-177.6	-167.2	-178.1	130.2	0	0	111.6	A338 R341 L342 E504 C508 Y509 R510	A338-E506 HydrophobicContact CB-CB 3.99Å; A338-E506 HydrophobicContact CB-CG 4.17Å; R341-E506 WeakPolarHBondContact CD-OE2 3.43Å; R341-E506 IonicContact NH1-OE2 3.94Å; L342-E506 HydrophobicContact CD1-CG 4.17Å; L342-E506 HydrophobicContact CD2-CG 4.24Å; L342-E506 HydrophobicContact CG-CG 4.01Å; E504-E506 PolarHBondContact O-N 3.48Å; E506-C508 VanDerWaalsContact C-N 3.32Å; E506-C508 PolarHBondContact O-N 3.39Å; E506-Y509 PolarHBondContact O-N 3.23Å; E506-R510 VanDerWaalsContact O-CB 3.29Å; E506-R510 WeakPolarHBondContact O-CB 3.49Å; E506-R510 PolarHBondContact O-N 3.02Å; E506-R510 IonicContact OE1-NH2 3.73Å; E506-R510 PolarHBondContact OE1-NH2 2.97Å
507	N	94.5	Very high	94.3	Very high	45 Å²	45	36.2 Å²	36.2	24%	0.241	18%	0.175	C	C	.	.	H	α-helix	trans	-67.8	-33	177.3	-69.5	-20	0	0	0	112.1	D501 E504 R510 T511	D501-N507 HydrophobicContact CB-CB 3.95Å; D501-N507 WeakPolarHBondContact OD2-CB 3.46Å; D501-N507 PolarHBondContact OD2-ND2 3.33Å; D501-N507 VanDerWaalsContact OD2-ND2 3.13Å; E504-N507 HydrophobicContact CB-CB 4.18Å; E504-N507 PolarHBondContact O-N 3.26Å; E504-N507 PolarHBondContact OE2-ND2 3.23Å; N507-R510 PolarHBondContact O-N 2.77Å; N507-T511 VanDerWaalsContact O-CB 3.31Å; N507-T511 WeakPolarHBondContact O-CB 3.37Å; N507-T511 WeakPolarHBondContact O-CG2 3.41Å; N507-T511 PolarHBondContact O-N 3.1Å; N507-T511 PolarHBondContact O-OG1 3.15Å
508	C	94.7	Very high	94.5	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.061	19%	0.186	C	C	.	.	H	α-helix	trans	-57.9	-55.3	173.3	177.6	0	0	0	0	110.8	D501 W502 E504 E505 E506 R510 T511 F512	D501-C508 WeakPolarHBondContact O-CA 3.38Å; D501-C508 WeakPolarHBondContact O-CB 3.26Å; D501-C508 PolarHBondContact O-N 2.83Å; W502-C508 VanDerWaalsContact CE3-SG 3.52Å; E504-C508 VanDerWaalsContact O-CB 3.26Å; E504-C508 WeakPolarHBondContact O-CB 3.41Å; E504-C508 PolarHBondContact O-N 3.01Å; E505-C508 WeakPolarHBondContact O-CB 3.47Å; E505-C508 PolarHBondContact O-N 3Å; E506-C508 VanDerWaalsContact C-N 3.32Å; E506-C508 PolarHBondContact O-N 3.39Å; C508-R510 VanDerWaalsContact C-N 3.31Å; C508-R510 PolarHBondContact O-N 3.3Å; C508-T511 PolarHBondContact O-OG1 2.8Å; C508-F512 WeakPolarHBondContact O-CB 3.23Å; C508-F512 PolarHBondContact O-N 3.1Å
509	Y	95.6	Very high	94.8	Very high	16 Å²	16	38.9 Å²	38.9	6%	0.063	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-38.9	178.8	-55.8	-30.7	0	0	0	112.1	L336 A338 V339 F401 M458 Y462 F463 E505 E506 S513	L336-Y509 HydrophobicContact CD1-CE2 4.26Å; A338-Y509 HydrophobicContact CB-CD2 4.2Å; A338-Y509 HydrophobicContact CB-CE2 4.22Å; V339-Y509 HydrophobicContact CG2-CD2 3.82Å; V339-Y509 HydrophobicContact CG2-CE2 4.04Å; F401-Y509 AromaticContact CE2-CD1 3.72Å; F401-Y509 HydrophobicContact CE2-CD1 3.72Å; F401-Y509 HydrophobicContact CE2-CD2 4.13Å; F401-Y509 HydrophobicContact CE2-CE1 4.04Å; F401-Y509 HydrophobicContact CE2-CE2 4.41Å; F401-Y509 AromaticContact CE2-CG 3.78Å; F401-Y509 HydrophobicContact CE2-CG 3.78Å; F401-Y509 HydrophobicContact CZ-CD1 4.03Å; F401-Y509 HydrophobicContact CZ-CD2 4.27Å; F401-Y509 AromaticContact CZ-CE1 3.85Å; F401-Y509 HydrophobicContact CZ-CE1 3.85Å; F401-Y509 HydrophobicContact CZ-CE2 4.09Å; F401-Y509 HydrophobicContact CZ-CG 4.25Å; F401-Y509 AromaticContact CZ-CZ 3.9Å; M458-Y509 HydrophobicContact SD-CE1 4.49Å; Y462-Y509 AromaticContact CD2-CE1 3.83Å; Y462-Y509 HydrophobicContact CD2-CE1 3.83Å; Y462-Y509 HydrophobicContact CE2-CE1 4.03Å; Y462-Y509 WeakPolarHBondContact CE2-OH 3.43Å; F463-Y509 HydrophobicContact CE2-CD1 4.27Å; F463-Y509 HydrophobicContact CZ-CD1 4.08Å; E505-Y509 HydrophobicContact CG-CD2 4.26Å; E505-Y509 HydrophobicContact CG-CE2 3.43Å; E505-Y509 VanDerWaalsContact CG-CE2 3.43Å; E505-Y509 WeakPolarHBondContact CG-OH 3.27Å; E505-Y509 WeakPolarHBondContact O-CD2 3.08Å; E505-Y509 PolarHBondContact O-N 3.43Å; E505-Y509 WeakPolarHBondContact OE1-CE2 3.45Å; E506-Y509 PolarHBondContact O-N 3.23Å; Y509-S513 WeakPolarHBondContact O-CB 3.37Å; Y509-S513 PolarHBondContact O-N 3.21Å; Y509-S513 PolarHBondContact O-OG 3.05Å
510	R	96.8	Very high	95	Very high	46 Å²	46	36.1 Å²	36.1	17%	0.174	17%	0.173	C	C	.	.	H	α-helix	trans	-62.9	-55.7	178.2	-176.9	-172.9	-62.9	-80.5	0.6	111.9	L342 E345 E506 N507 C508 S513 R514	L342-R510 HydrophobicContact CD2-CB 3.87Å; L342-R510 HydrophobicContact CD2-CG 4.11Å; E345-R510 IonicContact OE1-CZ 2.76Å; E345-R510 IonicContact OE1-NH1 2.69Å; E345-R510 PolarHBondContact OE1-NH1 3.2Å; E345-R510 IonicContact OE2-CZ 2.87Å; E345-R510 IonicContact OE2-NH1 3.94Å; E345-R510 PolarHBondContact OE2-NH1 3.01Å; E345-R510 IonicContact OE2-NH2 3.81Å; E345-R510 PolarHBondContact OE2-NH2 3.34Å; E506-R510 VanDerWaalsContact O-CB 3.29Å; E506-R510 WeakPolarHBondContact O-CB 3.49Å; E506-R510 PolarHBondContact O-N 3.02Å; E506-R510 IonicContact OE1-NH2 3.73Å; E506-R510 PolarHBondContact OE1-NH2 2.97Å; N507-R510 PolarHBondContact O-N 2.77Å; C508-R510 VanDerWaalsContact C-N 3.31Å; C508-R510 PolarHBondContact O-N 3.3Å; R510-S513 PolarHBondContact O-N 2.84Å; R510-R514 WeakPolarHBondContact O-CB 3.49Å; R510-R514 VanDerWaalsContact O-CG 3.26Å; R510-R514 WeakPolarHBondContact O-CG 3.49Å; R510-R514 PolarHBondContact O-N 3.27Å
511	T	96.5	Very high	95.1	Very high	34 Å²	34	36.3 Å²	36.3	21%	0.209	18%	0.175	C	C	.	.	H	α-helix	trans	-69.8	-40.3	-174.8	56	0	0	0	0	111.2	V500 D501 N507 C508 S513 R514 E515	V500-T511 WeakPolarHBondContact CA-OG1 3.38Å; V500-T511 WeakPolarHBondContact CG1-OG1 3.31Å; D501-T511 HydrophobicContact CB-CG2 4.49Å; D501-T511 PolarHBondContact N-OG1 3.33Å; D501-T511 VanDerWaalsContact N-OG1 3.12Å; N507-T511 VanDerWaalsContact O-CB 3.31Å; N507-T511 WeakPolarHBondContact O-CB 3.37Å; N507-T511 WeakPolarHBondContact O-CG2 3.41Å; N507-T511 PolarHBondContact O-N 3.1Å; N507-T511 PolarHBondContact O-OG1 3.15Å; C508-T511 PolarHBondContact O-OG1 2.8Å; T511-S513 PolarHBondContact O-N 2.8Å; T511-R514 PolarHBondContact O-N 3.41Å; T511-E515 PolarHBondContact O-N 2.98Å
512	F	97	Very high	94.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.1	-48.6	171.3	-177.6	-88.1	0	0	0	111.6	L459 F463 L496 V500 W502 C508 R514 E515 T516	L459-F512 HydrophobicContact CD2-CD2 3.79Å; L459-F512 HydrophobicContact CD2-CE1 4.5Å; L459-F512 HydrophobicContact CD2-CE2 3.32Å; L459-F512 HydrophobicContact CD2-CZ 3.74Å; F463-F512 HydrophobicContact CB-CE1 3.7Å; F463-F512 HydrophobicContact CB-CZ 4.14Å; F463-F512 AromaticContact CD1-CD1 3.8Å; F463-F512 HydrophobicContact CD1-CD1 3.8Å; F463-F512 AromaticContact CD1-CE1 3.61Å; F463-F512 HydrophobicContact CD1-CE1 3.61Å; F463-F512 AromaticContact CD2-CD1 3.77Å; F463-F512 HydrophobicContact CD2-CD1 3.77Å; F463-F512 AromaticContact CD2-CE1 3.57Å; F463-F512 HydrophobicContact CD2-CE1 3.57Å; F463-F512 HydrophobicContact CD2-CZ 4.16Å; F463-F512 AromaticContact CE1-CD1 3.73Å; F463-F512 HydrophobicContact CE1-CD1 3.73Å; F463-F512 HydrophobicContact CE1-CE1 4.05Å; F463-F512 AromaticContact CE2-CD1 3.7Å; F463-F512 HydrophobicContact CE2-CD1 3.7Å; F463-F512 HydrophobicContact CE2-CE1 4.02Å; F463-F512 HydrophobicContact CE2-CG 4.24Å; F463-F512 AromaticContact CG-CD1 3.81Å; F463-F512 HydrophobicContact CG-CD1 3.81Å; F463-F512 AromaticContact CG-CE1 3.33Å; F463-F512 HydrophobicContact CG-CE1 3.33Å; F463-F512 HydrophobicContact CG-CZ 4.12Å; F463-F512 AromaticContact CZ-CD1 3.66Å; F463-F512 HydrophobicContact CZ-CD1 3.66Å; F463-F512 HydrophobicContact CZ-CE1 4.23Å; F463-F512 HydrophobicContact CZ-CG 4.39Å; L496-F512 HydrophobicContact CD1-CE2 3.97Å; L496-F512 HydrophobicContact CD2-CD2 3.56Å; L496-F512 HydrophobicContact CD2-CE2 3.63Å; L496-F512 HydrophobicContact CD2-CG 4.48Å; L496-F512 HydrophobicContact CG-CE2 4.45Å; V500-F512 HydrophobicContact CG1-CB 4.16Å; V500-F512 HydrophobicContact CG2-CB 4.38Å; W502-F512 HydrophobicContact CH2-CD2 4.02Å; C508-F512 WeakPolarHBondContact O-CB 3.23Å; C508-F512 PolarHBondContact O-N 3.1Å; F512-R514 VanDerWaalsContact C-N 3.29Å; F512-R514 PolarHBondContact O-N 3.42Å; F512-E515 PolarHBondContact O-N 3.4Å; F512-T516 WeakPolarHBondContact CE1-OG1 3.26Å; F512-T516 WeakPolarHBondContact O-CB 3.42Å; F512-T516 PolarHBondContact O-N 3.07Å; F512-T516 PolarHBondContact O-OG1 2.97Å
513	S	97.1	Very high	94.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.9	-33.9	179.4	-59.4	0	0	0	0	112.2	T397 L398 Y509 R510 T511 G517	T397-S513 WeakPolarHBondContact CG2-OG 3.39Å; L398-S513 WeakPolarHBondContact CD2-OG 3.38Å; Y509-S513 WeakPolarHBondContact O-CB 3.37Å; Y509-S513 PolarHBondContact O-N 3.21Å; Y509-S513 PolarHBondContact O-OG 3.05Å; R510-S513 PolarHBondContact O-N 2.84Å; T511-S513 PolarHBondContact O-N 2.8Å; S513-G517 PolarHBondContact O-N 2.93Å
514	R	97.4	Very high	93.9	Very high	50 Å²	50	32.4 Å²	32.4	19%	0.189	15%	0.148	C	C	.	.	H	α-helix	trans	-69	-44.8	176.2	-75	-71	180	-171.2	-6.4	111.8	E391 Y394 R510 T511 F512 T516 G517 K518	E391-R514 VanDerWaalsContact CD-NH1 3.29Å; E391-R514 IonicContact OE1-CZ 3.22Å; E391-R514 IonicContact OE1-NH1 3.83Å; E391-R514 PolarHBondContact OE1-NH1 2.9Å; E391-R514 IonicContact OE1-NH2 3.98Å; E391-R514 PolarHBondContact OE1-NH2 2.75Å; E391-R514 VanDerWaalsContact OE1-NH2 3.13Å; E391-R514 IonicContact OE2-CZ 2.8Å; E391-R514 IonicContact OE2-NH1 2.91Å; E391-R514 PolarHBondContact OE2-NH1 2.98Å; E391-R514 IonicContact OE2-NH2 3.2Å; Y394-R514 HydrophobicContact CD2-CB 4.43Å; Y394-R514 HydrophobicContact CD2-CG 3.69Å; Y394-R514 HydrophobicContact CE2-CG 3.68Å; R510-R514 WeakPolarHBondContact O-CB 3.49Å; R510-R514 VanDerWaalsContact O-CG 3.26Å; R510-R514 WeakPolarHBondContact O-CG 3.49Å; R510-R514 PolarHBondContact O-N 3.27Å; T511-R514 PolarHBondContact O-N 3.41Å; F512-R514 VanDerWaalsContact C-N 3.29Å; F512-R514 PolarHBondContact O-N 3.42Å; R514-T516 VanDerWaalsContact C-N 3.33Å; R514-G517 PolarHBondContact O-N 2.92Å; R514-K518 WeakPolarHBondContact O-CG 3.41Å; R514-K518 PolarHBondContact O-N 2.97Å
515	E	96.9	Very high	92.4	Very high	9 Å²	9	36.9 Å²	36.9	4%	0.042	16%	0.16	C	C	.	.	H	α-helix	trans	-67.2	-35.4	175.6	-67.7	-55.3	129.1	0	0	111.8	Y492 N495 L496 K499 V500 T511 F512 K518 F519	Y492-E515 HydrophobicContact CE2-CB 4.3Å; N495-E515 HydrophobicContact CB-CG 4.35Å; N495-E515 VanDerWaalsContact CB-OE2 3.28Å; N495-E515 WeakPolarHBondContact CB-OE2 3.46Å; N495-E515 PolarHBondContact ND2-OE2 3.07Å; L496-E515 HydrophobicContact CD2-CB 4.26Å; K499-E515 HydrophobicContact CB-CG 4.36Å; V500-E515 HydrophobicContact CG2-CG 4.49Å; T511-E515 PolarHBondContact O-N 2.98Å; F512-E515 PolarHBondContact O-N 3.4Å; E515-K518 PolarHBondContact O-N 3.14Å; E515-K518 IonicContact OE1-NZ 3.07Å; E515-K518 PolarHBondContact OE1-NZ 3.27Å; E515-F519 PolarHBondContact O-N 2.84Å
516	T	97.1	Very high	90.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-45.9	170.2	-54.6	0	0	0	0	110.6	T397 P476 L478 Y492 F512 R514 K518 F519 Y520	T397-T516 HydrophobicContact CG2-CG2 4.45Å; P476-T516 HydrophobicContact CG-CG2 4.38Å; L478-T516 HydrophobicContact CD1-CG2 4.01Å; Y492-T516 PolarHBondContact OH-OG1 3.36Å; F512-T516 WeakPolarHBondContact CE1-OG1 3.26Å; F512-T516 WeakPolarHBondContact O-CB 3.42Å; F512-T516 PolarHBondContact O-N 3.07Å; F512-T516 PolarHBondContact O-OG1 2.97Å; R514-T516 VanDerWaalsContact C-N 3.33Å; T516-K518 VanDerWaalsContact C-N 3.34Å; T516-K518 PolarHBondContact O-N 3.06Å; T516-F519 PolarHBondContact O-N 2.86Å; T516-Y520 HydrophobicContact CG2-CD2 3.85Å; T516-Y520 HydrophobicContact CG2-CE2 3.95Å; T516-Y520 VanDerWaalsContact O-CD2 3.31Å; T516-Y520 WeakPolarHBondContact O-CD2 3.05Å; T516-Y520 PolarHBondContact O-N 3.34Å
517	G	97	Very high	88.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-55.8	-45.9	175.4	0	0	0	0	0	112.7	S513 R514 F519 Y520 A521	S513-G517 PolarHBondContact O-N 2.93Å; R514-G517 PolarHBondContact O-N 2.92Å; G517-F519 PolarHBondContact O-N 3.27Å; G517-Y520 PolarHBondContact O-N 2.75Å; G517-A521 PolarHBondContact O-N 3.03Å
518	K	95.7	Very high	85.8	Confident	71 Å²	71	43.7 Å²	43.7	31%	0.309	19%	0.185	S	C	.	.	H	α-helix	trans	-64.7	-36.4	176.7	-71.2	171.9	-169	170.2	0	113.3	E390 R514 E515 T516 K523	E390-K518 HydrophobicContact CG-CG 3.93Å; E390-K518 WeakPolarHBondContact OE1-CE 3.43Å; E390-K518 WeakPolarHBondContact OE1-CG 3.35Å; R514-K518 WeakPolarHBondContact O-CG 3.41Å; R514-K518 PolarHBondContact O-N 2.97Å; E515-K518 PolarHBondContact O-N 3.14Å; E515-K518 IonicContact OE1-NZ 3.07Å; E515-K518 PolarHBondContact OE1-NZ 3.27Å; T516-K518 VanDerWaalsContact C-N 3.34Å; T516-K518 PolarHBondContact O-N 3.06Å; K518-K523 WeakPolarHBondContact O-CE 3.24Å; K518-K523 PolarHBondContact O-NZ 3.47Å
519	F	95.6	Very high	82.9	Confident	7 Å²	7	47.7 Å²	47.7	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-68.7	-40.2	176.1	171.7	-121.3	0	0	0	111.4	I475 P484 L486 D488 L489 Y492 E515 T516 G517	I475-F519 HydrophobicContact CD1-CE1 4.27Å; P484-F519 HydrophobicContact CB-CE1 4.23Å; P484-F519 HydrophobicContact CB-CZ 4.21Å; P484-F519 HydrophobicContact CG-CD1 4.41Å; P484-F519 HydrophobicContact CG-CE1 3.67Å; P484-F519 HydrophobicContact CG-CZ 3.82Å; L486-F519 HydrophobicContact CD2-CZ 4.36Å; D488-F519 HydrophobicContact CB-CD2 4.03Å; D488-F519 HydrophobicContact CB-CE2 4.12Å; L489-F519 HydrophobicContact CB-CE2 4.23Å; L489-F519 HydrophobicContact CB-CZ 4.3Å; L489-F519 HydrophobicContact CD1-CE1 4.4Å; L489-F519 HydrophobicContact CD1-CE2 4.45Å; L489-F519 HydrophobicContact CD1-CZ 3.96Å; Y492-F519 HydrophobicContact CD1-CB 4.19Å; Y492-F519 AromaticContact CD1-CD1 3.55Å; Y492-F519 HydrophobicContact CD1-CD1 3.55Å; Y492-F519 HydrophobicContact CD1-CD2 4.21Å; Y492-F519 AromaticContact CD1-CE1 3.96Å; Y492-F519 HydrophobicContact CD1-CE1 3.96Å; Y492-F519 AromaticContact CD1-CG 3.71Å; Y492-F519 HydrophobicContact CD1-CG 3.71Å; Y492-F519 HydrophobicContact CD1-CZ 4.44Å; Y492-F519 HydrophobicContact CD2-CB 3.6Å; Y492-F519 HydrophobicContact CD2-CD1 4.45Å; Y492-F519 HydrophobicContact CD2-CG 4.05Å; Y492-F519 AromaticContact CE1-CD1 3.79Å; Y492-F519 HydrophobicContact CE1-CD1 3.79Å; Y492-F519 HydrophobicContact CE1-CE1 4.26Å; Y492-F519 HydrophobicContact CE1-CG 4.3Å; Y492-F519 HydrophobicContact CE2-CB 4.11Å; Y492-F519 HydrophobicContact CG-CB 3.66Å; Y492-F519 AromaticContact CG-CD1 3.92Å; Y492-F519 HydrophobicContact CG-CD1 3.92Å; Y492-F519 AromaticContact CG-CD2 3.99Å; Y492-F519 HydrophobicContact CG-CD2 3.99Å; Y492-F519 AromaticContact CG-CG 3.57Å; Y492-F519 HydrophobicContact CG-CG 3.57Å; E515-F519 PolarHBondContact O-N 2.84Å; T516-F519 PolarHBondContact O-N 2.86Å; G517-F519 PolarHBondContact O-N 3.27Å
520	Y	95.2	Very high	80	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-79.8	-17.9	180	-81.7	-106.7	0	0	0	114.4	F393 I475 P476 L478 Y482 P484 T516 G517	F393-Y520 HydrophobicContact CD1-CD1 4.28Å; F393-Y520 HydrophobicContact CD1-CG 4.41Å; F393-Y520 VanDerWaalsContact CD2-CB 3.42Å; F393-Y520 WeakPolarHBondContact CD2-O 3.44Å; F393-Y520 HydrophobicContact CE1-CD1 4.31Å; F393-Y520 WeakPolarHBondContact CE2-O 3.23Å; F393-Y520 VanDerWaalsContact CG-CB 3.44Å; F393-Y520 HydrophobicContact CG-CG 4.35Å; I475-Y520 WeakPolarHBondContact CD1-OH 3.34Å; P476-Y520 VanDerWaalsContact O-CZ 3.23Å; P476-Y520 PolarHBondContact O-OH 2.73Å; L478-Y520 HydrophobicContact CB-CD1 4.37Å; L478-Y520 HydrophobicContact CB-CE1 4.38Å; L478-Y520 HydrophobicContact CD1-CD1 3.83Å; L478-Y520 HydrophobicContact CD1-CD2 3.89Å; L478-Y520 HydrophobicContact CD1-CE1 4.12Å; L478-Y520 HydrophobicContact CD1-CE2 4.17Å; L478-Y520 HydrophobicContact CD1-CG 3.73Å; L478-Y520 HydrophobicContact CG-CD1 4.2Å; L478-Y520 HydrophobicContact CG-CE1 4.07Å; Y482-Y520 HydrophobicContact CD1-CD1 4.31Å; Y482-Y520 HydrophobicContact CE1-CD1 4.19Å; Y482-Y520 WeakPolarHBondContact CE1-O 3.17Å; Y482-Y520 PolarHBondContact OH-O 2.93Å; P484-Y520 HydrophobicContact CB-CD1 3.97Å; P484-Y520 HydrophobicContact CB-CD2 4.5Å; P484-Y520 HydrophobicContact CB-CE1 4.22Å; P484-Y520 HydrophobicContact CB-CG 4.09Å; P484-Y520 VanDerWaalsContact CD-CE1 3.45Å; P484-Y520 HydrophobicContact CG-CD1 3.85Å; P484-Y520 HydrophobicContact CG-CD2 4.34Å; P484-Y520 HydrophobicContact CG-CE1 3.57Å; P484-Y520 HydrophobicContact CG-CE2 4.11Å; P484-Y520 HydrophobicContact CG-CG 4.2Å; T516-Y520 HydrophobicContact CG2-CD2 3.85Å; T516-Y520 HydrophobicContact CG2-CE2 3.95Å; T516-Y520 VanDerWaalsContact O-CD2 3.31Å; T516-Y520 WeakPolarHBondContact O-CD2 3.05Å; T516-Y520 PolarHBondContact O-N 3.34Å; G517-Y520 PolarHBondContact O-N 2.75Å
521	A	93.9	Very high	77.1	Confident	9 Å²	9	59.7 Å²	59.7	7%	0.074	27%	0.268	C	S	.	.	S	Bend	trans	-56.6	142.8	179.2	0	0	0	0	0	113.2	S389 E390 G517 K523	S389-A521 WeakPolarHBondContact OG-CA 3.43Å; E390-A521 HydrophobicContact CB-CB 3.8Å; G517-A521 PolarHBondContact O-N 3.03Å; A521-K523 PolarHBondContact O-N 3.35Å; A521-K523 VanDerWaalsContact O-N 3.15Å
522	L	90.4	Very high	74.1	Confident	6 Å²	6	66.7 Å²	66.7	3%	0.031	30%	0.298	C	S	.	.			trans	-79.1	97.9	176.2	-175.1	69.8	0	0	0	110.1	L369 V385 E386 S389 V551 L554	L369-L522 HydrophobicContact CD2-CD2 4.29Å; L369-L522 HydrophobicContact CD2-CG 4.49Å; V385-L522 HydrophobicContact CG1-CB 4.48Å; V385-L522 HydrophobicContact CG1-CD2 3.99Å; E386-L522 WeakPolarHBondContact CA-O 3.47Å; E386-L522 WeakPolarHBondContact CB-O 3.36Å; S389-L522 PolarHBondContact OG-N 3.32Å; L522-V551 HydrophobicContact CD2-CG2 3.52Å; L522-L554 HydrophobicContact CB-CD1 3.94Å; L522-L554 HydrophobicContact CD2-CD1 4.03Å
523	K	84.7	Confident	71	Confident	47 Å²	47	71.8 Å²	71.8	20%	0.204	33%	0.33	C	S	.	.			trans	-84.6	135.2	-177	-60.8	176.4	-169	160	0	113.4	E386 R485 D488 K518 A521 R525	E386-K523 HydrophobicContact CG-CG 4.48Å; E386-K523 WeakPolarHBondContact OE2-CA 3.23Å; R485-K523 PolarHBondContact NH2-O 3.5Å; D488-K523 WeakPolarHBondContact OD2-CD 3.42Å; D488-K523 WeakPolarHBondContact OD2-CE 3.39Å; D488-K523 IonicContact OD2-NZ 3.62Å; D488-K523 PolarHBondContact OD2-NZ 2.81Å; K518-K523 WeakPolarHBondContact O-CE 3.24Å; K518-K523 PolarHBondContact O-NZ 3.47Å; A521-K523 PolarHBondContact O-N 3.35Å; A521-K523 VanDerWaalsContact O-N 3.15Å; K523-R525 PolarHBondContact O-N 3.49Å
524	Y	75.6	Confident	67.8	Low	96 Å²	96	79.1 Å²	79.1	38%	0.376	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-76	-19.9	-179.4	76.7	-92.9	0	0	0	114.6	K370 E386 Y526 E527	K370-Y524 HydrophobicContact CB-CG 4.44Å; K370-Y524 HydrophobicContact CD-CD1 3.88Å; K370-Y524 HydrophobicContact CD-CE1 4.31Å; K370-Y524 HydrophobicContact CD-CG 4.39Å; K370-Y524 HydrophobicContact CG-CD1 4.31Å; E386-Y524 WeakPolarHBondContact OE2-CD1 3.3Å; E386-Y524 PolarHBondContact OE2-N 3.3Å; E386-Y524 VanDerWaalsContact OE2-N 3.09Å; Y524-Y526 PolarHBondContact O-N 2.63Å; Y524-E527 PolarHBondContact O-N 2.94Å
525	R	62.6	Low	64.6	Low	195 Å²	195	85.1 Å²	85.1	74%	0.736	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-58.4	-15.9	-164.4	-146.8	177.4	-150.5	158.9	6.2	115.4	K523	K523-R525 PolarHBondContact O-N 3.49Å
526	Y	53.2	Low	61.4	Low	87 Å²	87	90.2 Å²	90.2	34%	0.341	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-90.7	-7.9	-175.1	-64.7	-71.3	0	0	0	115.3	D488 Y524	D488-Y526 PolarHBondContact OD1-OH 2.93Å; Y524-Y526 PolarHBondContact O-N 2.63Å
527	E	49.1	Very low	58.2	Low	72 Å²	72	96.8 Å²	96.8	34%	0.336	47%	0.47	S	S	.	.	S	Bend	trans	-78.8	-30.3	175.6	-110.3	174.7	177.6	0	0	113.5	L369 Y524 C529 K530 W547	L369-E527 WeakPolarHBondContact CB-OE2 3.21Å; L369-E527 HydrophobicContact CD1-CB 3.75Å; L369-E527 HydrophobicContact CD1-CG 3.39Å; L369-E527 VanDerWaalsContact CD1-OE2 3.22Å; L369-E527 WeakPolarHBondContact CD1-OE2 3.27Å; L369-E527 VanDerWaalsContact CG-CD 3.42Å; L369-E527 HydrophobicContact CG-CG 4.21Å; L369-E527 WeakPolarHBondContact CG-OE2 3.4Å; Y524-E527 PolarHBondContact O-N 2.94Å; E527-C529 VanDerWaalsContact C-N 3.26Å; E527-C529 PolarHBondContact O-N 3.45Å; E527-K530 PolarHBondContact O-N 3Å; E527-W547 PolarHBondContact OE1-NE1 3.44Å
528	K	40.3	Very low	55	Low	163 Å²	163	101.7 Å²	101.7	71%	0.709	51%	0.505	S	S	*	.	H	α-helix	trans	-63.6	-29.6	-176.7	-81.5	-170.9	172.7	-172.4	0	113.5	K530	K528-K530 VanDerWaalsContact C-N 3.27Å; K528-K530 PolarHBondContact O-N 3.46Å
529	C	32.9	Very low	52.1	Low	92 Å²	92	103.9 Å²	103.9	62%	0.622	53%	0.526	S	S	*	.	H	α-helix	trans	-72.8	-11.9	-177.8	-65.8	0	0	0	0	115	E527 T533	E527-C529 VanDerWaalsContact C-N 3.26Å; E527-C529 PolarHBondContact O-N 3.45Å; C529-T533 PolarHBondContact O-OG1 3.47Å
530	K	36.1	Very low	48.8	Very low	158 Å²	158	109 Å²	109	69%	0.687	56%	0.562	S	S	*	*	H	α-helix	trans	-88.9	-25.7	179.7	-73.1	-168.5	176.4	-175.8	0	114.2	E527 K528	E527-K530 PolarHBondContact O-N 3Å; K528-K530 VanDerWaalsContact C-N 3.27Å; K528-K530 PolarHBondContact O-N 3.46Å
531	H	34.3	Very low	45.7	Very low	156 Å²	156	115.7 Å²	115.7	72%	0.722	60%	0.598	S	S	*	*	H	α-helix	trans	-85.8	-13.6	-175.5	-88.1	-62.1	0	0	0	115.1
532	E	33.4	Very low	42.5	Very low	181 Å²	181	122.2 Å²	122.2	85%	0.846	64%	0.637	S	S	*	*	S	Bend	trans	-101.3	-7.1	179.5	-68.6	178.1	175.7	0	0	113.5
533	T	32.6	Very low	40	Very low	108 Å²	108	127 Å²	127	66%	0.663	66%	0.659	S	S	*	*			trans	-121	30.3	-175.5	-17.2	0	0	0	0	112.8	C529 Q535	C529-T533 PolarHBondContact O-OG1 3.47Å; T533-Q535 VanDerWaalsContact C-N 3.26Å; T533-Q535 PolarHBondContact O-N 2.94Å; T533-Q535 VanDerWaalsContact O-N 3.13Å
534	E	29.9	Very low	37.8	Very low	153 Å²	153	130.4 Å²	130.4	72%	0.715	68%	0.684	S	S	*	*			trans	-83.8	71.4	167.6	-74.5	-172.1	170.9	0	0	110
535	Q	30.1	Very low	36.6	Very low	177 Å²	177	130.3 Å²	130.3	83%	0.827	69%	0.69	S	S	*	*	S	Bend	trans	-160.6	112	158.2	-106.7	164.5	53.6	0	0	108.4	T533	T533-Q535 VanDerWaalsContact C-N 3.26Å; T533-Q535 PolarHBondContact O-N 2.94Å; T533-Q535 VanDerWaalsContact O-N 3.13Å
536	S	29.1	Very low	37	Very low	115 Å²	115	124 Å²	124	80%	0.804	67%	0.671	S	S	*	*	S	Bend	trans	85.6	131.5	173.6	78.8	0	0	0	0	118.1
537	V	31.6	Very low	38.3	Very low	138 Å²	138	121.6 Å²	121.6	84%	0.836	66%	0.661	S	S	*	*			trans	89.8	93	167.6	-159.6	0	0	0	0	116.7
538	S	28.9	Very low	40	Very low	104 Å²	104	123.9 Å²	123.9	73%	0.727	67%	0.667	S	S	*	*			trans	-66.5	173.9	156	41.7	0	0	0	0	111.7
539	P	35.1	Very low	42	Very low	116 Å²	116	121.6 Å²	121.6	75%	0.753	65%	0.654	S	S	*	*			cis	-134.7	-178.2	-19.6	27.2	-4.2	0	0	0	113
540	S	25.5	Very low	44.6	Very low	114 Å²	114	118.5 Å²	118.5	80%	0.797	63%	0.631	S	S	*	*			trans	94.2	93.9	165.7	81	0	0	0	0	117.6
541	L	30	Very low	47.1	Very low	143 Å²	143	111 Å²	111	75%	0.749	60%	0.598	S	S	*	*			trans	-169.4	92.4	144.6	-99.8	162	0	0	0	106.8	Q543	L541-Q543 VanDerWaalsContact C-N 3.32Å; L541-Q543 PolarHBondContact O-N 3.23Å
542	T	26.5	Very low	49.7	Very low	145 Å²	145	108.6 Å²	108.6	89%	0.89	59%	0.586	S	S	*	*			trans	-65.7	87	168.7	44	0	0	0	0	109.4
543	Q	38	Very low	52.2	Low	106 Å²	106	101.3 Å²	101.3	50%	0.495	55%	0.552	S	S	.	*			trans	-164.5	37.4	175.7	-120.6	175.8	-7.5	0	0	113.8	L541 D545 D546	L541-Q543 VanDerWaalsContact C-N 3.32Å; L541-Q543 PolarHBondContact O-N 3.23Å; Q543-D545 PolarHBondContact O-N 2.86Å; Q543-D546 HydrophobicContact CB-CB 4.31Å; Q543-D546 HydrophobicContact CG-CB 3.84Å; Q543-D546 PolarHBondContact NE2-OD1 3.3Å; Q543-D546 PolarHBondContact NE2-OD2 3.27Å; Q543-D546 PolarHBondContact O-N 3.33Å
544	T	38.6	Very low	55	Low	119 Å²	119	96.1 Å²	96.1	73%	0.73	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	9.6	-177.6	46.2	0	0	0	0	115.4
545	D	51.8	Low	58	Low	94 Å²	94	89 Å²	89	50%	0.503	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	12.8	172.2	-95.4	-30.9	0	0	0	114.6	Q543 W547 R548 W549	Q543-D545 PolarHBondContact O-N 2.86Å; D545-W547 PolarHBondContact O-N 2.9Å; D545-R548 IonicContact OD1-NH1 3.13Å; D545-R548 PolarHBondContact OD1-NH1 3.29Å; D545-R548 VanDerWaalsContact OD1-NH1 3.12Å; D545-W549 PolarHBondContact O-N 3.02Å
546	D	70.4	Confident	60.9	Low	63 Å²	63	86.4 Å²	86.4	34%	0.337	47%	0.473	S	S	.	.	H	α-helix	trans	-63.8	-41.1	-170.8	-142.3	35.7	0	0	0	112.7	Q543 W549 L550	Q543-D546 HydrophobicContact CB-CB 4.31Å; Q543-D546 HydrophobicContact CG-CB 3.84Å; Q543-D546 PolarHBondContact NE2-OD1 3.3Å; Q543-D546 PolarHBondContact NE2-OD2 3.27Å; Q543-D546 PolarHBondContact O-N 3.33Å; D546-W549 PolarHBondContact O-N 3.48Å; D546-L550 VanDerWaalsContact O-CG 3.29Å; D546-L550 WeakPolarHBondContact O-CG 3.48Å; D546-L550 PolarHBondContact O-N 3.3Å
547	W	80.1	Confident	63.9	Low	37 Å²	37	81.1 Å²	81.1	14%	0.14	44%	0.436	C	S	.	.	H	α-helix	trans	-75.4	-37.3	-174	75.7	-104.4	0	0	0	113.9	D368 L369 E527 D545 W549 L550 V551	D368-W547 WeakPolarHBondContact O-CZ3 3.46Å; L369-W547 HydrophobicContact CD2-CB 3.5Å; L369-W547 HydrophobicContact CD2-CD2 3.56Å; L369-W547 HydrophobicContact CD2-CE3 3.59Å; L369-W547 HydrophobicContact CD2-CG 3.56Å; L369-W547 HydrophobicContact CD2-CZ3 4.41Å; L369-W547 HydrophobicContact CG-CD2 3.94Å; L369-W547 HydrophobicContact CG-CE3 4.09Å; L369-W547 HydrophobicContact CG-CG 4.16Å; E527-W547 PolarHBondContact OE1-NE1 3.44Å; D545-W547 PolarHBondContact O-N 2.9Å; W547-W549 PolarHBondContact O-N 3.42Å; W547-L550 WeakPolarHBondContact O-CB 3.37Å; W547-L550 PolarHBondContact O-N 2.86Å; W547-L550 VanDerWaalsContact O-N 3.13Å; W547-V551 HydrophobicContact CE3-CG2 3.81Å; W547-V551 HydrophobicContact CZ3-CG2 4.12Å; W547-V551 WeakPolarHBondContact O-CG2 3.4Å; W547-V551 PolarHBondContact O-N 3.29Å
548	R	84.6	Confident	66.8	Low	120 Å²	120	74.7 Å²	74.7	45%	0.453	40%	0.397	S	S	.	.	H	α-helix	trans	-63.6	-37.5	176.8	-69.4	-172	-177.8	97.3	7.2	110.4	D545 K552	D545-R548 IonicContact OD1-NH1 3.13Å; D545-R548 PolarHBondContact OD1-NH1 3.29Å; D545-R548 VanDerWaalsContact OD1-NH1 3.12Å; R548-K552 WeakPolarHBondContact O-CG 3.48Å; R548-K552 PolarHBondContact O-N 3.48Å; R548-K552 VanDerWaalsContact O-N 3.09Å
549	W	82.5	Confident	69.8	Low	114 Å²	114	74.5 Å²	74.5	43%	0.432	38%	0.383	S	S	.	.	H	α-helix	trans	-65.9	-43.9	172.7	-179.4	94.2	0	0	0	111.6	N481 D545 D546 W547 V551 K552 Q553	N481-W549 HydrophobicContact CB-CH2 3.85Å; N481-W549 HydrophobicContact CB-CZ2 4.5Å; N481-W549 VanDerWaalsContact O-CH2 3.3Å; N481-W549 WeakPolarHBondContact O-CH2 3.26Å; N481-W549 WeakPolarHBondContact O-CZ3 3.16Å; D545-W549 PolarHBondContact O-N 3.02Å; D546-W549 PolarHBondContact O-N 3.48Å; W547-W549 PolarHBondContact O-N 3.42Å; W549-V551 PolarHBondContact O-N 2.74Å; W549-K552 WeakPolarHBondContact O-CB 3.5Å; W549-K552 PolarHBondContact O-N 3.23Å; W549-K552 VanDerWaalsContact O-N 3.15Å; W549-Q553 HydrophobicContact CD2-CG 4.05Å; W549-Q553 HydrophobicContact CE3-CG 4Å; W549-Q553 HydrophobicContact CH2-CG 3.71Å; W549-Q553 HydrophobicContact CZ2-CG 3.77Å; W549-Q553 HydrophobicContact CZ3-CG 3.83Å; W549-Q553 WeakPolarHBondContact O-CG 3.46Å; W549-Q553 PolarHBondContact O-N 2.92Å
550	L	86.7	Confident	72.3	Confident	27 Å²	27	72.2 Å²	72.2	14%	0.141	37%	0.37	C	S	.	.	H	α-helix	trans	-58.8	-45.6	175.3	-73.3	168.7	0	0	0	112	Y482 D546 W547 K552 Q553 L554	Y482-L550 HydrophobicContact CD2-CD2 3.75Å; Y482-L550 HydrophobicContact CE2-CD2 4.02Å; D546-L550 VanDerWaalsContact O-CG 3.29Å; D546-L550 WeakPolarHBondContact O-CG 3.48Å; D546-L550 PolarHBondContact O-N 3.3Å; W547-L550 WeakPolarHBondContact O-CB 3.37Å; W547-L550 PolarHBondContact O-N 2.86Å; W547-L550 VanDerWaalsContact O-N 3.13Å; L550-K552 VanDerWaalsContact C-N 3.31Å; L550-K552 PolarHBondContact O-N 3Å; L550-Q553 WeakPolarHBondContact O-CB 3.29Å; L550-Q553 PolarHBondContact O-N 3.23Å; L550-L554 PolarHBondContact O-N 2.99Å
551	V	89.7	Confident	75	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-58.1	-43.8	175	173.2	0	0	0	0	110.9	F363 S366 T372 V385 L522 W547 W549 Q553 L554 C555	F363-V551 HydrophobicContact CE2-CG1 4.24Å; S366-V551 WeakPolarHBondContact OG-CG1 3.44Å; T372-V551 HydrophobicContact CG2-CG1 4.13Å; T372-V551 VanDerWaalsContact OG1-CG1 3.31Å; T372-V551 WeakPolarHBondContact OG1-CG1 3.47Å; V385-V551 HydrophobicContact CG1-CG2 4.49Å; V385-V551 HydrophobicContact CG2-CG1 4.44Å; L522-V551 HydrophobicContact CD2-CG2 3.52Å; W547-V551 HydrophobicContact CE3-CG2 3.81Å; W547-V551 HydrophobicContact CZ3-CG2 4.12Å; W547-V551 WeakPolarHBondContact O-CG2 3.4Å; W547-V551 PolarHBondContact O-N 3.29Å; W549-V551 PolarHBondContact O-N 2.74Å; V551-Q553 VanDerWaalsContact C-N 3.3Å; V551-Q553 PolarHBondContact O-N 3.49Å; V551-L554 PolarHBondContact O-N 3.02Å; V551-C555 PolarHBondContact O-N 3.28Å; V551-C555 PolarHBondContact O-SG 2.74Å; V551-C555 VanDerWaalsContact O-SG 3.32Å
552	K	88.1	Confident	78	Confident	106 Å²	106	61.3 Å²	61.3	46%	0.461	30%	0.304	S	S	.	.	H	α-helix	trans	-60.6	-36.9	174.6	-75.4	176.6	179.4	177.5	0	112.6	F363 R548 W549 L550 K556	F363-K552 HydrophobicContact CD1-CG 4.43Å; F363-K552 HydrophobicContact CE1-CD 4.41Å; F363-K552 HydrophobicContact CE1-CG 3.97Å; F363-K552 HydrophobicContact CE2-CG 4.26Å; F363-K552 HydrophobicContact CZ-CG 3.86Å; R548-K552 WeakPolarHBondContact O-CG 3.48Å; R548-K552 PolarHBondContact O-N 3.48Å; R548-K552 VanDerWaalsContact O-N 3.09Å; W549-K552 WeakPolarHBondContact O-CB 3.5Å; W549-K552 PolarHBondContact O-N 3.23Å; W549-K552 VanDerWaalsContact O-N 3.15Å; L550-K552 VanDerWaalsContact C-N 3.31Å; L550-K552 PolarHBondContact O-N 3Å; K552-K556 WeakPolarHBondContact O-CG 3.4Å; K552-K556 PolarHBondContact O-N 2.94Å
553	Q	86.6	Confident	81.2	Confident	28 Å²	28	55.9 Å²	55.9	13%	0.131	27%	0.269	C	S	.	.	H	α-helix	trans	-68.7	-40.9	174.7	-59.2	-53.8	-22.7	0	0	111.8	W549 L550 V551 C555 K556 A557	W549-Q553 HydrophobicContact CD2-CG 4.05Å; W549-Q553 HydrophobicContact CE3-CG 4Å; W549-Q553 HydrophobicContact CH2-CG 3.71Å; W549-Q553 HydrophobicContact CZ2-CG 3.77Å; W549-Q553 HydrophobicContact CZ3-CG 3.83Å; W549-Q553 WeakPolarHBondContact O-CG 3.46Å; W549-Q553 PolarHBondContact O-N 2.92Å; L550-Q553 WeakPolarHBondContact O-CB 3.29Å; L550-Q553 PolarHBondContact O-N 3.23Å; V551-Q553 VanDerWaalsContact C-N 3.3Å; V551-Q553 PolarHBondContact O-N 3.49Å; Q553-C555 PolarHBondContact O-N 2.59Å; Q553-K556 WeakPolarHBondContact O-CB 3.08Å; Q553-K556 PolarHBondContact O-N 3.28Å; Q553-K556 VanDerWaalsContact O-N 3.17Å; Q553-K556 VanDerWaalsContact OE1-NZ 3.11Å; Q553-A557 PolarHBondContact O-N 3.25Å
554	L	92	Very high	83.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-43	173.8	-70.2	172.9	0	0	0	111.6	V385 L392 F393 L479 Y482 L522 L550 V551 K556 A557 F558	V385-L554 HydrophobicContact CG1-CD1 3.82Å; L392-L554 HydrophobicContact CD2-CD2 4.22Å; F393-L554 HydrophobicContact CE2-CD2 3.89Å; F393-L554 HydrophobicContact CZ-CD2 3.72Å; L479-L554 HydrophobicContact CD2-CD2 4.46Å; Y482-L554 HydrophobicContact CD2-CD2 4.26Å; Y482-L554 HydrophobicContact CE2-CD1 4.2Å; Y482-L554 HydrophobicContact CE2-CD2 3.9Å; Y482-L554 HydrophobicContact CE2-CG 4.07Å; L522-L554 HydrophobicContact CB-CD1 3.94Å; L522-L554 HydrophobicContact CD2-CD1 4.03Å; L550-L554 PolarHBondContact O-N 2.99Å; V551-L554 PolarHBondContact O-N 3.02Å; L554-K556 VanDerWaalsContact C-N 3.29Å; L554-K556 PolarHBondContact O-N 2.77Å; L554-A557 CarbonylContact O-C 3.42Å; L554-A557 WeakPolarHBondContact O-CA 3.19Å; L554-A557 WeakPolarHBondContact O-CB 3.23Å; L554-A557 PolarHBondContact O-N 2.89Å; L554-F558 HydrophobicContact CB-CE2 4.09Å; L554-F558 HydrophobicContact CB-CZ 4.25Å; L554-F558 VanDerWaalsContact O-CD2 3.29Å; L554-F558 WeakPolarHBondContact O-CD2 3.44Å; L554-F558 VanDerWaalsContact O-CG 3.29Å; L554-F558 WeakPolarHBondContact O-CG 3.21Å; L554-F558 PolarHBondContact O-N 3.1Å
555	C	91.9	Very high	86.6	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.02	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-37.9	174.5	-66.9	0	0	0	0	112.6	H361 F363 V551 Q553 F558 K559	H361-C555 PolarHBondContact CE1-O 2.9Å; F363-C555 HydrophobicContact CD2-CB 4.2Å; V551-C555 PolarHBondContact O-N 3.28Å; V551-C555 PolarHBondContact O-SG 2.74Å; V551-C555 VanDerWaalsContact O-SG 3.32Å; Q553-C555 PolarHBondContact O-N 2.59Å; C555-F558 PolarHBondContact O-N 3.44Å; C555-K559 PolarHBondContact O-N 2.9Å; C555-K559 VanDerWaalsContact O-N 3.14Å
556	K	90.9	Very high	88.6	Confident	123 Å²	123	45.7 Å²	45.7	54%	0.535	21%	0.211	S	C	.	.	H	α-helix	trans	-65.1	-41	172.4	-67.8	173.3	-168.9	166.6	0	112	K552 Q553 L554 K559 S560	K552-K556 WeakPolarHBondContact O-CG 3.4Å; K552-K556 PolarHBondContact O-N 2.94Å; Q553-K556 WeakPolarHBondContact O-CB 3.08Å; Q553-K556 PolarHBondContact O-N 3.28Å; Q553-K556 VanDerWaalsContact O-N 3.17Å; Q553-K556 VanDerWaalsContact OE1-NZ 3.11Å; L554-K556 VanDerWaalsContact C-N 3.29Å; L554-K556 PolarHBondContact O-N 2.77Å; K556-K559 WeakPolarHBondContact O-CB 3.27Å; K556-K559 PolarHBondContact O-N 3.26Å; K556-S560 PolarHBondContact O-N 3.37Å; K556-S560 PolarHBondContact O-OG 3.15Å
557	A	92	Very high	89.8	Confident	3 Å²	3	47.3 Å²	47.3	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-65.4	-40	176.4	0	0	0	0	0	111.7	L392 L479 Q553 L554 K559 S560 S561	L392-A557 HydrophobicContact CD2-CB 3.74Å; L479-A557 HydrophobicContact CD1-CB 3.82Å; L479-A557 HydrophobicContact CD2-CB 3.78Å; L479-A557 HydrophobicContact CG-CB 4.49Å; Q553-A557 PolarHBondContact O-N 3.25Å; L554-A557 CarbonylContact O-C 3.42Å; L554-A557 WeakPolarHBondContact O-CA 3.19Å; L554-A557 WeakPolarHBondContact O-CB 3.23Å; L554-A557 PolarHBondContact O-N 2.89Å; A557-K559 PolarHBondContact O-N 3.25Å; A557-S560 PolarHBondContact O-N 3.21Å; A557-S560 VanDerWaalsContact O-N 3.15Å; A557-S560 PolarHBondContact O-OG 3.37Å; A557-S561 PolarHBondContact O-N 3.07Å; A557-S561 PolarHBondContact O-OG 3.37Å
558	F	93.8	Very high	90.5	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.013	21%	0.209	C	C	.	.	H	α-helix	trans	-57.9	-36.9	172.6	-61.2	-39.9	0	0	0	112	F358 I383 L388 L392 L554 C555 F562	F358-F558 HydrophobicContact CD1-CB 3.68Å; F358-F558 HydrophobicContact CD1-CG 4.29Å; F358-F558 HydrophobicContact CE1-CB 4.29Å; F358-F558 HydrophobicContact CE1-CD2 4.39Å; F358-F558 HydrophobicContact CE1-CG 4.42Å; F358-F558 HydrophobicContact CG-CB 4.34Å; I383-F558 HydrophobicContact CD1-CD2 4.45Å; I383-F558 HydrophobicContact CD1-CE2 4.24Å; L388-F558 HydrophobicContact CB-CE1 3.88Å; L388-F558 HydrophobicContact CB-CE2 4.3Å; L388-F558 HydrophobicContact CB-CZ 3.62Å; L392-F558 HydrophobicContact CB-CD1 4.26Å; L392-F558 HydrophobicContact CB-CE1 3.82Å; L392-F558 HydrophobicContact CD1-CD1 4.47Å; L392-F558 HydrophobicContact CD2-CD1 3.82Å; L392-F558 HydrophobicContact CD2-CE1 3.63Å; L392-F558 HydrophobicContact CG-CD1 4.41Å; L392-F558 HydrophobicContact CG-CE1 4.26Å; L554-F558 HydrophobicContact CB-CE2 4.09Å; L554-F558 HydrophobicContact CB-CZ 4.25Å; L554-F558 VanDerWaalsContact O-CD2 3.29Å; L554-F558 WeakPolarHBondContact O-CD2 3.44Å; L554-F558 VanDerWaalsContact O-CG 3.29Å; L554-F558 WeakPolarHBondContact O-CG 3.21Å; L554-F558 PolarHBondContact O-N 3.1Å; C555-F558 PolarHBondContact O-N 3.44Å; F558-F562 HydrophobicContact CB-CB 4.33Å; F558-F562 HydrophobicContact CB-CD1 4.34Å; F558-F562 HydrophobicContact CD1-CB 4.14Å; F558-F562 AromaticContact CD1-CD1 3.8Å; F558-F562 HydrophobicContact CD1-CD1 3.8Å; F558-F562 HydrophobicContact CD1-CD2 4.31Å; F558-F562 HydrophobicContact CD1-CE1 4.23Å; F558-F562 AromaticContact CD1-CG 3.85Å; F558-F562 HydrophobicContact CD1-CG 3.85Å; F558-F562 HydrophobicContact CG-CD1 4.35Å; F558-F562 WeakPolarHBondContact O-CB 3.35Å
559	K	91.3	Very high	90.9	Very high	101 Å²	101	42.9 Å²	42.9	44%	0.439	21%	0.21	S	C	.	.	H	α-helix	trans	-68.3	-33.3	178.3	-162.7	162.3	-174.1	153.1	0	113.8	F358 R359 H361 C555 K556 A557	F358-K559 WeakPolarHBondContact O-CA 3.49Å; R359-K559 WeakPolarHBondContact O-CE 3.43Å; R359-K559 WeakPolarHBondContact O-CG 3.46Å; H361-K559 PolarHBondContact O-NZ 2.78Å; C555-K559 PolarHBondContact O-N 2.9Å; C555-K559 VanDerWaalsContact O-N 3.14Å; K556-K559 WeakPolarHBondContact O-CB 3.27Å; K556-K559 PolarHBondContact O-N 3.26Å; A557-K559 PolarHBondContact O-N 3.25Å
560	S	86.8	Confident	91.3	Very high	68 Å²	68	45 Å²	45	48%	0.476	22%	0.223	S	C	.	.	H	α-helix	trans	-96.5	-37.2	-172.5	59	0	0	0	0	114.4	K556 A557	K556-S560 PolarHBondContact O-N 3.37Å; K556-S560 PolarHBondContact O-OG 3.15Å; A557-S560 PolarHBondContact O-N 3.21Å; A557-S560 VanDerWaalsContact O-N 3.15Å; A557-S560 PolarHBondContact O-OG 3.37Å
561	S	82.1	Confident	91.6	Very high	16 Å²	16	46.8 Å²	46.8	11%	0.112	23%	0.232	C	C	.	.	H	α-helix	trans	-130.3	-5.3	-162	64	0	0	0	0	116.4	L285 L392 A557	L285-S561 VanDerWaalsContact CD2-CA 3.42Å; L392-S561 WeakPolarHBondContact CD1-OG 3.32Å; A557-S561 PolarHBondContact O-N 3.07Å; A557-S561 PolarHBondContact O-OG 3.37Å
562	F	93.2	Very high	91.7	Very high	12 Å²	12	48.8 Å²	48.8	5%	0.053	25%	0.253	C	S	.	.			trans	-91	130.9	-166.9	-172.5	-131.9	0	0	0	112.9	F358 L388 E391 L392 F558 P564 F568	F358-F562 HydrophobicContact CD1-CD1 4.47Å; F358-F562 AromaticContact CD2-CD1 3.9Å; F358-F562 HydrophobicContact CD2-CD1 3.9Å; F358-F562 HydrophobicContact CD2-CE1 4.12Å; F358-F562 HydrophobicContact CE2-CD1 4.12Å; F358-F562 AromaticContact CE2-CE1 3.87Å; F358-F562 HydrophobicContact CE2-CE1 3.87Å; F358-F562 HydrophobicContact CG-CD1 4.11Å; F358-F562 HydrophobicContact CZ-CE1 4.17Å; L388-F562 HydrophobicContact CB-CZ 4.35Å; L388-F562 HydrophobicContact CG-CE1 4.12Å; L388-F562 HydrophobicContact CG-CZ 4.17Å; E391-F562 HydrophobicContact CB-CE2 4.08Å; E391-F562 HydrophobicContact CB-CZ 4.46Å; E391-F562 HydrophobicContact CG-CE2 4.1Å; L392-F562 HydrophobicContact CB-CD2 3.87Å; L392-F562 HydrophobicContact CB-CE2 4.07Å; L392-F562 HydrophobicContact CD1-CB 4.07Å; L392-F562 HydrophobicContact CD1-CD2 3.99Å; L392-F562 HydrophobicContact CD1-CG 4.4Å; F558-F562 HydrophobicContact CB-CB 4.33Å; F558-F562 HydrophobicContact CB-CD1 4.34Å; F558-F562 HydrophobicContact CD1-CB 4.14Å; F558-F562 AromaticContact CD1-CD1 3.8Å; F558-F562 HydrophobicContact CD1-CD1 3.8Å; F558-F562 HydrophobicContact CD1-CD2 4.31Å; F558-F562 HydrophobicContact CD1-CE1 4.23Å; F558-F562 AromaticContact CD1-CG 3.85Å; F558-F562 HydrophobicContact CD1-CG 3.85Å; F558-F562 HydrophobicContact CG-CD1 4.35Å; F558-F562 WeakPolarHBondContact O-CB 3.35Å; F562-P564 VanDerWaalsContact C-CD 3.5Å; F562-P564 HydrophobicContact CD1-CB 4.15Å; F562-P564 HydrophobicContact CD1-CG 4.47Å; F562-P564 HydrophobicContact CE1-CB 3.72Å; F562-P564 HydrophobicContact CZ-CB 4.23Å; F562-P564 WeakPolarHBondContact O-CD 3.44Å; F562-F568 HydrophobicContact CZ-CD2 4.27Å; F562-F568 AromaticContact CZ-CE2 3.9Å; F562-F568 HydrophobicContact CZ-CE2 3.9Å
563	L	94.2	Very high	92	Very high	30 Å²	30	43.8 Å²	43.8	16%	0.157	23%	0.231	C	C	.	.			trans	-108.8	80.3	174.7	-63.1	175.6	0	0	0	108.6	I346 R355 Q395	I346-L563 HydrophobicContact CG2-CB 4.11Å; I346-L563 HydrophobicContact CG2-CD1 3.83Å; R355-L563 HydrophobicContact CG-CD2 4.39Å; Q395-L563 PolarHBondContact NE2-O 3.2Å
564	P	94.8	Very high	92.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.			trans	-60.4	127.2	-175.9	25.6	-37.9	0	0	0	111.3	S350 S351 L354 R355 F358 F562	S350-P564 CarbonylContact C-O 3.53Å; S350-P564 VanDerWaalsContact CA-O 3.29Å; S350-P564 WeakPolarHBondContact CA-O 3.42Å; S350-P564 PolarHBondContact OG-O 2.81Å; S351-P564 PolarHBondContact N-O 3.35Å; L354-P564 VanDerWaalsContact C-CG 3.5Å; L354-P564 HydrophobicContact CB-CB 3.74Å; L354-P564 HydrophobicContact CB-CG 3.39Å; L354-P564 HydrophobicContact CD1-CB 4.11Å; R355-P564 HydrophobicContact CG-CG 4.04Å; F358-P564 HydrophobicContact CD2-CB 4.13Å; F358-P564 HydrophobicContact CD2-CG 3.92Å; F358-P564 HydrophobicContact CE2-CB 4.04Å; F358-P564 HydrophobicContact CE2-CG 4.31Å; F562-P564 VanDerWaalsContact C-CD 3.5Å; F562-P564 HydrophobicContact CD1-CB 4.15Å; F562-P564 HydrophobicContact CD1-CG 4.47Å; F562-P564 HydrophobicContact CE1-CB 3.72Å; F562-P564 HydrophobicContact CZ-CB 4.23Å; F562-P564 WeakPolarHBondContact O-CD 3.44Å
565	P	95.8	Very high	92.6	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.019	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-73.9	149.9	177.5	30.5	-35.2	0	0	0	111.4	Q349 E391 K567 F568	Q349-P565 HydrophobicContact CB-CB 4.41Å; Q349-P565 CarbonylContact O-C 3.59Å; Q349-P565 WeakPolarHBondContact O-CA 3.46Å; E391-P565 HydrophobicContact CG-CG 4.1Å; P565-K567 HydrophobicContact CB-CD 4.41Å; P565-K567 HydrophobicContact CB-CG 3.99Å; P565-K567 HydrophobicContact CG-CD 4.23Å; P565-K567 HydrophobicContact CG-CG 3.87Å; P565-K567 PolarHBondContact O-N 3.37Å; P565-K567 VanDerWaalsContact O-N 3.13Å; P565-F568 HydrophobicContact CG-CD1 4.14Å; P565-F568 HydrophobicContact CG-CD2 3.97Å; P565-F568 HydrophobicContact CG-CE1 4.19Å; P565-F568 HydrophobicContact CG-CE2 4.02Å; P565-F568 HydrophobicContact CG-CG 4.03Å; P565-F568 HydrophobicContact CG-CZ 4.13Å; P565-F568 WeakPolarHBondContact O-CB 3.45Å; P565-F568 PolarHBondContact O-N 2.96Å
566	E	94	Very high	92.7	Very high	103 Å²	103	50.8 Å²	50.8	48%	0.481	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-58.8	-29.9	-177.3	-162.3	-167.6	140.5	0	0	113	Q349 F568 A569 K570	Q349-E566 PolarHBondContact O-N 3.32Å; E566-F568 PolarHBondContact O-N 2.98Å; E566-A569 WeakPolarHBondContact O-CB 3.49Å; E566-A569 PolarHBondContact O-N 3.25Å; E566-K570 IonicContact OE1-NZ 3.97Å; E566-K570 PolarHBondContact OE1-NZ 3.29Å
567	K	94.8	Very high	92.9	Very high	96 Å²	96	49 Å²	49	42%	0.417	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-52.6	-30.5	175.6	68.6	-177.3	176.6	-179.5	0	113.1	E391 P565 A569 K570 D571	E391-K567 IonicContact OE2-NZ 3.55Å; E391-K567 PolarHBondContact OE2-NZ 3.04Å; E391-K567 VanDerWaalsContact OE2-NZ 3.1Å; P565-K567 HydrophobicContact CB-CD 4.41Å; P565-K567 HydrophobicContact CB-CG 3.99Å; P565-K567 HydrophobicContact CG-CD 4.23Å; P565-K567 HydrophobicContact CG-CG 3.87Å; P565-K567 PolarHBondContact O-N 3.37Å; P565-K567 VanDerWaalsContact O-N 3.13Å; K567-A569 PolarHBondContact O-N 2.97Å; K567-K570 PolarHBondContact O-N 3.26Å; K567-D571 WeakPolarHBondContact O-CB 3.35Å; K567-D571 PolarHBondContact O-N 3.28Å
568	F	95.4	Very high	93	Very high	7 Å²	7	50.8 Å²	50.8	3%	0.031	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-69.4	-19.1	-178.6	-74	-4.8	0	0	0	114.5	L354 L388 E391 F562 P565 E566 K570 D571 I574	L354-F568 HydrophobicContact CD1-CB 4.21Å; L388-F568 HydrophobicContact CD1-CD2 3.74Å; L388-F568 HydrophobicContact CD1-CE2 3.74Å; L388-F568 HydrophobicContact CD1-CG 4.42Å; L388-F568 HydrophobicContact CD1-CZ 4.42Å; L388-F568 HydrophobicContact CG-CD2 4.19Å; L388-F568 HydrophobicContact CG-CE2 4.05Å; E391-F568 HydrophobicContact CB-CE2 3.94Å; E391-F568 HydrophobicContact CB-CZ 3.78Å; E391-F568 HydrophobicContact CG-CE2 4.16Å; E391-F568 HydrophobicContact CG-CZ 4.11Å; F562-F568 HydrophobicContact CZ-CD2 4.27Å; F562-F568 AromaticContact CZ-CE2 3.9Å; F562-F568 HydrophobicContact CZ-CE2 3.9Å; P565-F568 HydrophobicContact CG-CD1 4.14Å; P565-F568 HydrophobicContact CG-CD2 3.97Å; P565-F568 HydrophobicContact CG-CE1 4.19Å; P565-F568 HydrophobicContact CG-CE2 4.02Å; P565-F568 HydrophobicContact CG-CG 4.03Å; P565-F568 HydrophobicContact CG-CZ 4.13Å; P565-F568 WeakPolarHBondContact O-CB 3.45Å; P565-F568 PolarHBondContact O-N 2.96Å; E566-F568 PolarHBondContact O-N 2.98Å; F568-K570 VanDerWaalsContact C-N 3.31Å; F568-D571 WeakPolarHBondContact CA-OD1 3.28Å; F568-I574 HydrophobicContact CB-CD1 3.92Å; F568-I574 HydrophobicContact CB-CG1 4.29Å; F568-I574 PolarHBondContact O-N 2.98Å
569	A	91.8	Very high	92.9	Very high	57 Å²	57	52 Å²	52	47%	0.471	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-76	-21.1	170.7	0	0	0	0	0	112.6	L354 E566 K567	L354-A569 HydrophobicContact CD1-CB 4.23Å; E566-A569 WeakPolarHBondContact O-CB 3.49Å; E566-A569 PolarHBondContact O-N 3.25Å; K567-A569 PolarHBondContact O-N 2.97Å
570	K	92.1	Very high	92.7	Very high	159 Å²	159	49 Å²	49	69%	0.691	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-25.6	-170.9	-61.8	176	-170.5	164.2	0	113.3	E566 K567 F568	E566-K570 IonicContact OE1-NZ 3.97Å; E566-K570 PolarHBondContact OE1-NZ 3.29Å; K567-K570 PolarHBondContact O-N 3.26Å; F568-K570 VanDerWaalsContact C-N 3.31Å
571	D	92.7	Very high	92.7	Very high	65 Å²	65	47.3 Å²	47.3	35%	0.348	26%	0.263	S	S	.	.	S	Bend	trans	-92	8.2	-172.9	81.1	-21.1	0	0	0	114.7	K387 K567 F568 S573	K387-D571 PolarHBondContact NZ-O 3.15Å; K387-D571 IonicContact NZ-OD2 3.53Å; K387-D571 PolarHBondContact NZ-OD2 3.22Å; K567-D571 WeakPolarHBondContact O-CB 3.35Å; K567-D571 PolarHBondContact O-N 3.28Å; F568-D571 WeakPolarHBondContact CA-OD1 3.28Å; D571-S573 VanDerWaalsContact C-N 3.28Å; D571-S573 PolarHBondContact O-N 2.87Å; D571-S573 WeakPolarHBondContact OD1-CB 3.24Å; D571-S573 PolarHBondContact OD1-N 3Å; D571-S573 PolarHBondContact OD1-OG 3.04Å; D571-S573 PolarHBondContact OD2-OG 3.37Å
572	G	91.7	Very high	93	Very high	42 Å²	42	50.7 Å²	50.7	43%	0.433	28%	0.28	S	S	.	.	S	Bend	trans	75.9	6.8	-178.4	0	0	0	0	0	115.1	I574 V575	G572-I574 VanDerWaalsContact C-N 3.27Å; G572-I574 PolarHBondContact O-N 3.26Å; G572-V575 WeakPolarHBondContact O-CG2 3.49Å
573	S	94.2	Very high	92.7	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.007	29%	0.294	C	S	.	.	S	Bend	trans	-69.5	-27.1	175.5	-56.2	0	0	0	0	112.7	I383 D384 K387 D571	I383-S573 CarbonylContact C-O 3.55Å; I383-S573 WeakPolarHBondContact CA-O 3.35Å; D384-S573 PolarHBondContact N-O 3.12Å; K387-S573 WeakPolarHBondContact CD-OG 3.42Å; K387-S573 PolarHBondContact NZ-OG 3.02Å; D571-S573 VanDerWaalsContact C-N 3.28Å; D571-S573 PolarHBondContact O-N 2.87Å; D571-S573 WeakPolarHBondContact OD1-CB 3.24Å; D571-S573 PolarHBondContact OD1-N 3Å; D571-S573 PolarHBondContact OD1-OG 3.04Å; D571-S573 PolarHBondContact OD2-OG 3.37Å
574	I	95.9	Very high	92.1	Very high	15 Å²	15	60.1 Å²	60.1	8%	0.077	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	116.3	175.7	-55.9	172.6	0	0	0	107.7	L354 L357 F358 F381 I383 L388 F568 G572	L354-I574 HydrophobicContact CD1-CD1 4.05Å; L354-I574 HydrophobicContact CD2-CD1 3.87Å; L354-I574 HydrophobicContact CG-CD1 4.49Å; L357-I574 HydrophobicContact CD1-CG2 4.43Å; F358-I574 HydrophobicContact CE2-CD1 3.56Å; F358-I574 HydrophobicContact CZ-CD1 3.73Å; F358-I574 HydrophobicContact CZ-CG1 4.37Å; F381-I574 HydrophobicContact CD1-CG2 4.2Å; I383-I574 HydrophobicContact CG2-CG1 4.25Å; I383-I574 HydrophobicContact CG2-CG2 4.34Å; L388-I574 HydrophobicContact CD1-CG1 4.31Å; F568-I574 HydrophobicContact CB-CD1 3.92Å; F568-I574 HydrophobicContact CB-CG1 4.29Å; F568-I574 PolarHBondContact O-N 2.98Å; G572-I574 VanDerWaalsContact C-N 3.27Å; G572-I574 PolarHBondContact O-N 3.26Å
575	V	95.4	Very high	91.7	Very high	53 Å²	53	67.1 Å²	67.1	32%	0.321	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.8	-176.9	-177.2	0	0	0	0	109.3	F381 M382 G572 L577	F381-V575 CarbonylContact C-O 3.39Å; F381-V575 VanDerWaalsContact CA-O 3.32Å; F381-V575 WeakPolarHBondContact CA-O 3.24Å; M382-V575 PolarHBondContact N-O 3.03Å; M382-V575 PolarHBondContact O-N 3.28Å; G572-V575 WeakPolarHBondContact O-CG2 3.49Å; V575-L577 HydrophobicContact CG1-CD2 4.33Å; V575-L577 PolarHBondContact O-N 2.91Å
576	K	94.9	Very high	91.2	Very high	109 Å²	109	73.7 Å²	73.7	47%	0.474	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	117.3	168.1	-171	-178.5	-179.4	-177.6	0	108.2	F381 D579	F381-K576 HydrophobicContact CD1-CB 3.9Å; F381-K576 HydrophobicContact CD1-CG 4.3Å; F381-K576 HydrophobicContact CE1-CB 3.72Å; F381-K576 HydrophobicContact CE1-CD 4.37Å; F381-K576 HydrophobicContact CE1-CG 3.96Å; F381-K576 HydrophobicContact CZ-CB 4.4Å; F381-K576 HydrophobicContact CZ-CD 4.26Å; F381-K576 HydrophobicContact CZ-CG 4.14Å; K576-D579 IonicContact NZ-OD2 2.89Å; K576-D579 PolarHBondContact NZ-OD2 3.36Å
577	L	94.2	Very high	90.8	Very high	87 Å²	87	75.4 Å²	75.4	46%	0.455	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-46	-179	-65.5	-175	0	0	0	112.5	L373 L380 M382 V575	L373-L577 HydrophobicContact CD2-CD1 3.49Å; L373-L577 VanDerWaalsContact CD2-CD1 3.49Å; L380-L577 HydrophobicContact CD2-CD1 4.41Å; L380-L577 PolarHBondContact O-N 3.09Å; M382-L577 HydrophobicContact CB-CD1 3.94Å; M382-L577 HydrophobicContact CB-CD2 4Å; M382-L577 HydrophobicContact CB-CG 3.88Å; M382-L577 HydrophobicContact CE-CD2 4.46Å; M382-L577 HydrophobicContact SD-CD2 4.46Å; V575-L577 HydrophobicContact CG1-CD2 4.33Å; V575-L577 PolarHBondContact O-N 2.91Å
578	T	93.5	Very high	90.3	Very high	39 Å²	39	78.5 Å²	78.5	24%	0.239	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	166.2	-179	-170.7	0	0	0	0	110.3	L380 L583	L380-T578 HydrophobicContact CB-CG2 3.87Å; L380-T578 HydrophobicContact CD2-CG2 4.12Å; L380-T578 PolarHBondContact N-O 3.25Å; T578-L583 HydrophobicContact CG2-CD1 3.95Å; T578-L583 HydrophobicContact CG2-CD2 4.41Å; T578-L583 HydrophobicContact CG2-CG 4.18Å
579	D	92.6	Very high	89.7	Confident	29 Å²	29	86 Å²	86	16%	0.155	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	144.8	163.2	-156.5	-83.2	0	0	0	110.1	T378 K576 G581 D582 L583	T378-D579 WeakPolarHBondContact CB-OD1 3.45Å; T378-D579 CarbonylContact O-C 3.53Å; T378-D579 WeakPolarHBondContact O-CA 3.48Å; T378-D579 VanDerWaalsContact OG1-CG 3.31Å; T378-D579 PolarHBondContact OG1-OD1 3.28Å; T378-D579 VanDerWaalsContact OG1-OD1 3.1Å; T378-D579 PolarHBondContact OG1-OD2 3.33Å; K576-D579 IonicContact NZ-OD2 2.89Å; K576-D579 PolarHBondContact NZ-OD2 3.36Å; D579-G581 PolarHBondContact O-N 3.23Å; D579-G581 PolarHBondContact OD1-N 3.19Å; D579-D582 PolarHBondContact O-N 3.09Å; D579-D582 VanDerWaalsContact O-N 3.09Å; D579-L583 PolarHBondContact O-N 3.5Å
580	V	87.4	Confident	89.1	Confident	37 Å²	37	92.9 Å²	92.9	22%	0.224	48%	0.476	C	S	.	.	H	α-helix	trans	-61.5	-30.8	175.4	169.8	0	0	0	0	110.5	T378 D582 L583 Y584	T378-V580 WeakPolarHBondContact O-CB 2.87Å; T378-V580 VanDerWaalsContact O-CG2 3.28Å; T378-V580 WeakPolarHBondContact O-CG2 3.25Å; T378-V580 PolarHBondContact O-N 3.32Å; V580-D582 PolarHBondContact O-N 3.02Å; V580-L583 PolarHBondContact O-N 3.45Å; V580-Y584 HydrophobicContact CG1-CD2 3.52Å; V580-Y584 HydrophobicContact CG1-CE2 3.15Å; V580-Y584 VanDerWaalsContact O-CD2 3.23Å; V580-Y584 WeakPolarHBondContact O-CD2 3.24Å; V580-Y584 PolarHBondContact O-N 3.49Å
581	G	86.7	Confident	88.9	Confident	34 Å²	34	89.6 Å²	89.6	35%	0.351	47%	0.465	S	S	.	.	H	α-helix	trans	-61.1	-31.6	173.5	0	0	0	0	0	113.7	D579	D579-G581 PolarHBondContact O-N 3.23Å; D579-G581 PolarHBondContact OD1-N 3.19Å
582	D	87.9	Confident	88.7	Confident	87 Å²	87	90.9 Å²	90.9	47%	0.465	47%	0.471	S	S	.	.	H	α-helix	trans	-81.2	-34.3	176.3	-64.9	-40.3	0	0	0	111.9	D579 V580 K585	D579-D582 PolarHBondContact O-N 3.09Å; D579-D582 VanDerWaalsContact O-N 3.09Å; V580-D582 PolarHBondContact O-N 3.02Å; D582-K585 PolarHBondContact O-N 3.11Å; D582-K585 IonicContact OD1-NZ 2.96Å; D582-K585 PolarHBondContact OD1-NZ 2.87Å
583	L	86.2	Confident	88.5	Confident	68 Å²	68	93.6 Å²	93.6	36%	0.356	47%	0.473	S	S	.	.	H	α-helix	trans	-62.8	-41.9	173.6	-66.8	175.3	0	0	0	111.7	T578 D579 V580 K585 L586 F587	T578-L583 HydrophobicContact CG2-CD1 3.95Å; T578-L583 HydrophobicContact CG2-CD2 4.41Å; T578-L583 HydrophobicContact CG2-CG 4.18Å; D579-L583 PolarHBondContact O-N 3.5Å; V580-L583 PolarHBondContact O-N 3.45Å; L583-K585 PolarHBondContact O-N 2.75Å; L583-L586 PolarHBondContact O-N 3.42Å; L583-F587 HydrophobicContact CB-CD2 4.22Å; L583-F587 HydrophobicContact CD2-CD2 4.18Å; L583-F587 HydrophobicContact CD2-CE2 3.9Å; L583-F587 WeakPolarHBondContact O-CD2 3.35Å; L583-F587 PolarHBondContact O-N 2.85Å
584	Y	83	Confident	88.2	Confident	171 Å²	171	99.1 Å²	99.1	67%	0.671	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.3	179.2	-78.6	-54.3	0	0	0	114.7	V580 L586	V580-Y584 HydrophobicContact CG1-CD2 3.52Å; V580-Y584 HydrophobicContact CG1-CE2 3.15Å; V580-Y584 VanDerWaalsContact O-CD2 3.23Å; V580-Y584 WeakPolarHBondContact O-CD2 3.24Å; V580-Y584 PolarHBondContact O-N 3.49Å; Y584-L586 VanDerWaalsContact C-N 3.25Å
585	K	84.7	Confident	87.7	Confident	148 Å²	148	104.3 Å²	104.3	64%	0.643	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-16.6	172.2	-64.4	169.3	-169.7	159.3	0	112.6	D582 L583	D582-K585 PolarHBondContact O-N 3.11Å; D582-K585 IonicContact OD1-NZ 2.96Å; D582-K585 PolarHBondContact OD1-NZ 2.87Å; L583-K585 PolarHBondContact O-N 2.75Å
586	L	86.1	Confident	87.2	Confident	140 Å²	140	107.7 Å²	107.7	73%	0.733	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-36	-172.6	-149.8	140.6	0	0	0	111.6	L583 Y584	L583-L586 PolarHBondContact O-N 3.42Å; Y584-L586 VanDerWaalsContact C-N 3.25Å
587	F	86.3	Confident	86.7	Confident	139 Å²	139	107.6 Å²	107.6	61%	0.61	55%	0.546	S	S	*	.			trans	-100.6	94.4	175.5	-63.1	-76.8	0	0	0	110.3	L583	L583-F587 HydrophobicContact CB-CD2 4.22Å; L583-F587 HydrophobicContact CD2-CD2 4.18Å; L583-F587 HydrophobicContact CD2-CE2 3.9Å; L583-F587 WeakPolarHBondContact O-CD2 3.35Å; L583-F587 PolarHBondContact O-N 2.85Å
588	E	83.4	Confident	86.1	Confident	162 Å²	162	109.2 Å²	109.2	76%	0.757	55%	0.553	S	S	*	*			trans	-93.7	158.4	174.8	-60.1	-171.2	163.1	0	0	111.1
589	R	83.7	Confident	85.5	Confident	164 Å²	164	115.1 Å²	115.1	62%	0.619	58%	0.579	S	S	*	*			trans	-64.5	145.5	166.9	59.6	-178	161.3	-154.2	-13.7	109.3	R257 V258	R257-R589 PolarHBondContact O-NH2 3.34Å; V258-R589 PolarHBondContact O-NH2 3.17Å
590	C	77.6	Confident	84.8	Confident	202 Å²	202	122.9 Å²	122.9	100%	1.365	62%	0.618	S	S	*	*			trans	-57.7	0	172.5	-59.6	0	0	0	0	112.6

Retrieved 590 of 590 residues in 266.1 ms (Link to these results)

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